G4VAB5_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession G4VAB5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 296 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
1M46Very low79.3Confident188 Ų18884.4 Ų84.493%0.92643%0.428SS*.  0136.90-79.7169.3-112.700110.9N3 E78M1-N3 PolarHBondContact O-N 3.35Å; M1-E78 HydrophobicContact CE-CG 4.08Å; M1-E78 PolarHBondContact N-OE1 2.92Å
2T52.7Low80.7Confident107 Ų10783.2 Ų83.266%0.65642%0.423SS*.  trans-58.9129.1177-34.30000109.6Q4 L7T2-Q4 VanDerWaalsContact C-N 3.33Å; T2-Q4 PolarHBondContact O-N 3.35Å; T2-L7 HydrophobicContact CG2-CD1 3.61Å; T2-L7 HydrophobicContact CG2-CD2 4.31Å; T2-L7 HydrophobicContact CG2-CG 4.1Å
3N72.2Confident81.9Confident61 Ų6184.4 Ų84.433%0.32643%0.426SS..  trans-66.590.3-175.7-171.1-13.4000109.7M1 V5 V6 L7M1-N3 PolarHBondContact O-N 3.35Å; N3-V5 PolarHBondContact O-N 3.05Å; N3-V5 WeakPolarHBondContact OD1-CB 3.13Å; N3-V6 HydrophobicContact CB-CB 4.34Å; N3-V6 HydrophobicContact CB-CG2 4.06Å; N3-V6 WeakPolarHBondContact ND2-CG2 3.3Å; N3-V6 PolarHBondContact O-N 3.3Å; N3-L7 PolarHBondContact O-N 2.92Å
4Q77.8Confident82.7Confident109 Ų10985.6 Ų85.651%0.50943%0.427SS..Hα-helixtrans-51.3-32.4-175.3-71.6-171.40.200112.3T2 V6 L7 K8T2-Q4 VanDerWaalsContact C-N 3.33Å; T2-Q4 PolarHBondContact O-N 3.35Å; Q4-V6 VanDerWaalsContact C-N 3.35Å; Q4-V6 PolarHBondContact O-N 3.39Å; Q4-L7 PolarHBondContact O-N 2.94Å; Q4-K8 PolarHBondContact O-N 2.83Å
5V78.9Confident83.2Confident11 Ų1183.4 Ų83.47%0.06742%0.417CS..Hα-helixtrans-59.9-44.6175.9-176.20000111.3N3 L7 K8 Y9 L37 L75 T82N3-V5 PolarHBondContact O-N 3.05Å; N3-V5 WeakPolarHBondContact OD1-CB 3.13Å; V5-L7 VanDerWaalsContact C-N 3.33Å; V5-K8 PolarHBondContact O-N 3.37Å; V5-Y9 HydrophobicContact CG1-CD2 4.5Å; V5-Y9 WeakPolarHBondContact O-CA 3.3Å; V5-Y9 WeakPolarHBondContact O-CB 3.38Å; V5-Y9 PolarHBondContact O-N 2.85Å; V5-L37 HydrophobicContact CG1-CD1 4.2Å; V5-L75 HydrophobicContact CB-CD1 4.3Å; V5-L75 HydrophobicContact CG2-CB 3.96Å; V5-L75 HydrophobicContact CG2-CD1 3.76Å; V5-T82 HydrophobicContact CG1-CG2 4.18Å; V5-T82 HydrophobicContact CG2-CG2 4.17Å
6V80.9Confident83.2Confident84 Ų8479.8 Ų79.851%0.50941%0.407SS..Hα-helixtrans-70.8-33.1-178.5177.10000111.5N3 Q4 R29N3-V6 HydrophobicContact CB-CB 4.34Å; N3-V6 HydrophobicContact CB-CG2 4.06Å; N3-V6 WeakPolarHBondContact ND2-CG2 3.3Å; N3-V6 PolarHBondContact O-N 3.3Å; Q4-V6 VanDerWaalsContact C-N 3.35Å; Q4-V6 PolarHBondContact O-N 3.39Å; V6-R29 PolarHBondContact O-NE 3.48Å
7L86.3Confident83.1Confident112 Ų11282.2 Ų82.259%0.58642%0.417SS*.Hα-helixtrans-71.2-38.2177-66.6176.1000112.7T2 N3 Q4 V5 R29T2-L7 HydrophobicContact CG2-CD1 3.61Å; T2-L7 HydrophobicContact CG2-CD2 4.31Å; T2-L7 HydrophobicContact CG2-CG 4.1Å; N3-L7 PolarHBondContact O-N 2.92Å; Q4-L7 PolarHBondContact O-N 2.94Å; V5-L7 VanDerWaalsContact C-N 3.33Å; L7-R29 VanDerWaalsContact O-CD 3.31Å; L7-R29 WeakPolarHBondContact O-CD 3.31Å
8K92.7Very high82.2Confident87 Ų8779.6 Ų79.638%0.37841%0.413SS..Hα-helixtrans-88-34.3179.5-94.9-177.2164.5-179.80113.7Q4 V5 R29 D73Q4-K8 PolarHBondContact O-N 2.83Å; V5-K8 PolarHBondContact O-N 3.37Å; K8-R29 WeakPolarHBondContact O-CB 3.42Å; K8-R29 PolarHBondContact O-N 3.48Å; K8-D73 IonicContact NZ-OD2 2.78Å; K8-D73 PolarHBondContact NZ-OD2 3.23Å
9Y95.4Very high81.2Confident14 Ų1481.7 Ų81.76%0.05543%0.43CS..EExtended strand (participates in β ladder)trans-126.7129.3-168.5-57.8-77.7000112.3V5 R27 N28 V35 L37 L75 V84V5-Y9 HydrophobicContact CG1-CD2 4.5Å; V5-Y9 WeakPolarHBondContact O-CA 3.3Å; V5-Y9 WeakPolarHBondContact O-CB 3.38Å; V5-Y9 PolarHBondContact O-N 2.85Å; Y9-R27 CarbonylContact C-O 3.58Å; Y9-R27 WeakPolarHBondContact CA-O 3.15Å; Y9-N28 HydrophobicContact CD1-CB 4.1Å; Y9-N28 HydrophobicContact CE1-CB 3.91Å; Y9-V35 HydrophobicContact CD1-CG2 3.71Å; Y9-V35 HydrophobicContact CE1-CG2 3.83Å; Y9-L37 HydrophobicContact CD1-CD2 4.47Å; Y9-L37 HydrophobicContact CD2-CD2 4.33Å; Y9-L37 HydrophobicContact CG-CD2 4.24Å; Y9-L75 HydrophobicContact CD2-CD1 4.01Å; Y9-L75 HydrophobicContact CE2-CD1 3.65Å; Y9-V84 HydrophobicContact CE1-CG1 4.02Å; Y9-V84 HydrophobicContact CE2-CG2 3.84Å
10E95.3Very high80.5Confident67 Ų6781.4 Ų81.431%0.31342%0.423SS..EExtended strand (participates in β ladder)trans-86.3112.6166.8178-177-147.200108.7L12 A26 R27 R29E10-L12 HydrophobicContact CG-CD2 4.16Å; E10-L12 PolarHBondContact O-N 2.84Å; E10-A26 CarbonylContact O-C 3.37Å; E10-A26 WeakPolarHBondContact O-CA 3.47Å; E10-A26 VanDerWaalsContact O-CB 3.29Å; E10-A26 WeakPolarHBondContact O-CB 3.29Å; E10-R27 HydrophobicContact CB-CB 4.42Å; E10-R27 PolarHBondContact N-O 2.94Å; E10-R27 PolarHBondContact O-N 3.06Å; E10-R27 IonicContact OE2-CZ 3.92Å; E10-R27 IonicContact OE2-NH1 2.94Å; E10-R27 PolarHBondContact OE2-NH1 2.77Å; E10-R29 HydrophobicContact CB-CG 4.26Å
11K94.5Very high80.4Confident88 Ų8878.3 Ų78.338%0.38341%0.412SS..EExtended strand (participates in β ladder)trans-71.4130.6174.1176.2179.3-76.3-165.70109.9Y24K11-Y24 HydrophobicContact CD-CD1 3.52Å; K11-Y24 HydrophobicContact CD-CE1 3.96Å; K11-Y24 HydrophobicContact CD-CG 3.95Å; K11-Y24 HydrophobicContact CG-CD1 4.16Å; K11-Y24 HydrophobicContact CG-CG 4.42Å; K11-Y24 VanDerWaalsContact NZ-CD2 3.26Å; K11-Y24 VanDerWaalsContact NZ-CG 3.27Å
12L95.7Very high82.4Confident70 Ų7072.6 Ų72.637%0.36638%0.382SS..EExtended strand (participates in β ladder)trans-100-62.2178.9-56.8178.4000111.1E10 K25 R27 I34E10-L12 HydrophobicContact CG-CD2 4.16Å; E10-L12 PolarHBondContact O-N 2.84Å; L12-K25 HydrophobicContact CD1-CG 4.29Å; L12-K25 PolarHBondContact N-O 3.2Å; L12-R27 HydrophobicContact CD1-CB 4.31Å; L12-I34 HydrophobicContact CD1-CD1 3.94Å
13E95.7Very high84.3Confident99 Ų9969.1 Ų69.146%0.46336%0.36SS..EExtended strand (participates in β ladder)trans-150.1161.9-174.760.5179.7161.100112.5I15 Y24 K25E13-I15 HydrophobicContact CG-CG2 3.95Å; E13-Y24 CarbonylContact O-C 3.55Å; E13-Y24 WeakPolarHBondContact O-CA 3.41Å; E13-Y24 WeakPolarHBondContact O-CB 3.31Å; E13-K25 HydrophobicContact CG-CB 3.77Å; E13-K25 HydrophobicContact CG-CD 4.15Å; E13-K25 PolarHBondContact N-O 2.81Å; E13-K25 PolarHBondContact O-N 2.85Å; E13-K25 VanDerWaalsContact OE1-CD 3.25Å; E13-K25 WeakPolarHBondContact OE1-CD 3.49Å; E13-K25 IonicContact OE1-NZ 2.77Å
14K93.9Very high85.3Confident102 Ų10267.9 Ų67.944%0.44335%0.351SS..EExtended strand (participates in β ladder)trans-87.7121.7171.1-172.5-168.1177.3-162.70108.2G16 E17 Y24K14-G16 WeakPolarHBondContact CE-O 3.36Å; K14-E17 IonicContact NZ-OE2 2.95Å; K14-E17 PolarHBondContact NZ-OE2 3.17Å; K14-Y24 HydrophobicContact CB-CD1 3.76Å; K14-Y24 HydrophobicContact CB-CE1 3.64Å; K14-Y24 HydrophobicContact CD-CE1 4.48Å; K14-Y24 HydrophobicContact CG-CD1 4.09Å; K14-Y24 HydrophobicContact CG-CE1 3.77Å
15I90.7Very high86.2Confident52 Ų5264.7 Ų64.727%0.26734%0.336SS..EExtended strand (participates in β ladder)trans-105.5-16.1-177.560.6177.4000113.5E13 V23 K25 A36 Y87E13-I15 HydrophobicContact CG-CG2 3.95Å; I15-V23 HydrophobicContact CD1-CG1 3.8Å; I15-V23 HydrophobicContact CG1-CB 4.05Å; I15-V23 HydrophobicContact CG1-CG1 3.74Å; I15-V23 PolarHBondContact N-O 3.49Å; I15-K25 HydrophobicContact CG2-CB 3.76Å; I15-A36 HydrophobicContact CD1-CB 4.4Å; I15-Y87 HydrophobicContact CD1-CD2 4.17Å; I15-Y87 HydrophobicContact CD1-CE2 3.9Å
16G83.1Confident87.1Confident26 Ų2664.1 Ų64.127%0.26833%0.332SS..EExtended strand (participates in β ladder)trans-173.1173.8179.400000114.2K14 V23K14-G16 WeakPolarHBondContact CE-O 3.36Å; G16-V23 PolarHBondContact N-O 2.97Å; G16-V23 PolarHBondContact O-N 3.02Å
17E80.4Confident87.9Confident121 Ų12164.4 Ų64.457%0.56532%0.324SS*.EExtended strand (participates in β ladder)trans-141.5112.4171.5-173.3153.7-157.400106.8K14 G21 K22K14-E17 IonicContact NZ-OE2 2.95Å; K14-E17 PolarHBondContact NZ-OE2 3.17Å; E17-G21 WeakPolarHBondContact CA-O 3.28Å; E17-K22 HydrophobicContact CG-CG 4.15Å; E17-K22 WeakPolarHBondContact OE1-CE 3.42Å
18G67.3Low88.4Confident35 Ų3560 Ų6036%0.36130%0.301SS..EExtended strand (participates in β ladder)trans-99.3-178.2175.500000110.9Y20 G21G18-Y20 PolarHBondContact O-N 2.9Å; G18-Y20 VanDerWaalsContact O-N 3.09Å; G18-G21 PolarHBondContact N-O 2.91Å; G18-G21 PolarHBondContact O-N 3.43Å; G18-G21 VanDerWaalsContact O-N 3.12Å
19T63.7Low88.6Confident120 Ų12061.9 Ų61.974%0.73631%0.306SS*.THydrogen-bonded Turntrans-52.5-36.2-176.6-46.80000113.7
20Y67.1Low88.5Confident74 Ų7469 Ų6929%0.2934%0.34SS..THydrogen-bonded Turntrans-105.53.2-174.2-54.4-69.4000114G18 V40 S52G18-Y20 PolarHBondContact O-N 2.9Å; G18-Y20 VanDerWaalsContact O-N 3.09Å; Y20-V40 WeakPolarHBondContact O-CA 3.26Å; Y20-S52 WeakPolarHBondContact CE1-OG 3.45Å; Y20-S52 VanDerWaalsContact CZ-OG 3.26Å; Y20-S52 WeakPolarHBondContact OH-CB 3.31Å
21G77.9Confident88.5Confident17 Ų1769.5 Ų69.518%0.17535%0.347CS..EExtended strand (participates in β ladder)trans143.4-161.3173.100000115.3E17 G18 R39E17-G21 WeakPolarHBondContact CA-O 3.28Å; G18-G21 PolarHBondContact N-O 2.91Å; G18-G21 PolarHBondContact O-N 3.43Å; G18-G21 VanDerWaalsContact O-N 3.12Å; G21-R39 WeakPolarHBondContact CA-O 3.34Å
22K88.6Confident88.6Confident68 Ų6871.8 Ų71.830%0.29636%0.359SS..EExtended strand (participates in β ladder)trans-95.2137.6-165.2-64179.1-177.3-178.10111.1E17 Y24 R39E17-K22 HydrophobicContact CG-CG 4.15Å; E17-K22 WeakPolarHBondContact OE1-CE 3.42Å; K22-Y24 HydrophobicContact CB-CD2 4.28Å; K22-Y24 HydrophobicContact CB-CE2 3.41Å; K22-Y24 VanDerWaalsContact CB-CE2 3.41Å; K22-Y24 VanDerWaalsContact CD-OH 3.29Å; K22-Y24 WeakPolarHBondContact CD-OH 2.93Å; K22-R39 PolarHBondContact N-O 2.73Å; K22-R39 PolarHBondContact O-N 3.06Å
23V91.6Very high88.6Confident34 Ų3472.7 Ų72.721%0.20636%0.362CS..EExtended strand (participates in β ladder)trans-106131.4175.8-167.10000109.2I15 G16 A36 L37 K38I15-V23 HydrophobicContact CD1-CG1 3.8Å; I15-V23 HydrophobicContact CG1-CB 4.05Å; I15-V23 HydrophobicContact CG1-CG1 3.74Å; I15-V23 PolarHBondContact N-O 3.49Å; G16-V23 PolarHBondContact N-O 2.97Å; G16-V23 PolarHBondContact O-N 3.02Å; V23-A36 HydrophobicContact CG1-CB 4.34Å; V23-L37 WeakPolarHBondContact CA-O 3.44Å; V23-K38 HydrophobicContact CG2-CG 4.33Å
24Y94.7Very high88.7Confident36 Ų3670.6 Ų70.614%0.14135%0.353CS..EExtended strand (participates in β ladder)trans-126.4140.3-179.6-61.4-89.6000111K11 E13 K14 K22 A36 L37 R39K11-Y24 HydrophobicContact CD-CD1 3.52Å; K11-Y24 HydrophobicContact CD-CE1 3.96Å; K11-Y24 HydrophobicContact CD-CG 3.95Å; K11-Y24 HydrophobicContact CG-CD1 4.16Å; K11-Y24 HydrophobicContact CG-CG 4.42Å; K11-Y24 VanDerWaalsContact NZ-CD2 3.26Å; K11-Y24 VanDerWaalsContact NZ-CG 3.27Å; E13-Y24 CarbonylContact O-C 3.55Å; E13-Y24 WeakPolarHBondContact O-CA 3.41Å; E13-Y24 WeakPolarHBondContact O-CB 3.31Å; K14-Y24 HydrophobicContact CB-CD1 3.76Å; K14-Y24 HydrophobicContact CB-CE1 3.64Å; K14-Y24 HydrophobicContact CD-CE1 4.48Å; K14-Y24 HydrophobicContact CG-CD1 4.09Å; K14-Y24 HydrophobicContact CG-CE1 3.77Å; K22-Y24 HydrophobicContact CB-CD2 4.28Å; K22-Y24 HydrophobicContact CB-CE2 3.41Å; K22-Y24 VanDerWaalsContact CB-CE2 3.41Å; K22-Y24 VanDerWaalsContact CD-OH 3.29Å; K22-Y24 WeakPolarHBondContact CD-OH 2.93Å; Y24-A36 CarbonylContact O-C 3.56Å; Y24-A36 WeakPolarHBondContact O-CA 3.37Å; Y24-L37 PolarHBondContact N-O 3.14Å; Y24-L37 PolarHBondContact O-N 2.95Å; Y24-R39 HydrophobicContact CD2-CG 4.26Å; Y24-R39 HydrophobicContact CE2-CG 4.34Å
25K96.5Very high88.9Confident41 Ų4165.8 Ų65.818%0.17833%0.332CS..EExtended strand (participates in β ladder)trans-74.8135.1162.6-171.7179.5-171161.40108.4L12 E13 I15 I34 Y87L12-K25 HydrophobicContact CD1-CG 4.29Å; L12-K25 PolarHBondContact N-O 3.2Å; E13-K25 HydrophobicContact CG-CB 3.77Å; E13-K25 HydrophobicContact CG-CD 4.15Å; E13-K25 PolarHBondContact N-O 2.81Å; E13-K25 PolarHBondContact O-N 2.85Å; E13-K25 VanDerWaalsContact OE1-CD 3.25Å; E13-K25 WeakPolarHBondContact OE1-CD 3.49Å; E13-K25 IonicContact OE1-NZ 2.77Å; I15-K25 HydrophobicContact CG2-CB 3.76Å; K25-I34 HydrophobicContact CD-CG2 4.31Å; K25-I34 HydrophobicContact CG-CG2 3.83Å; K25-Y87 HydrophobicContact CB-CD2 4.5Å; K25-Y87 HydrophobicContact CB-CE2 4.16Å; K25-Y87 HydrophobicContact CD-CE1 4.27Å; K25-Y87 HydrophobicContact CD-CE2 3.84Å; K25-Y87 VanDerWaalsContact CE-CZ 3.49Å; K25-Y87 HydrophobicContact CG-CD2 4.05Å; K25-Y87 HydrophobicContact CG-CE2 3.8Å; K25-Y87 PolarHBondContact NZ-OH 2.87Å
26A97.3Very high89.1Confident0 Ų063.8 Ų63.80%032%0.323CS..EExtended strand (participates in β ladder)trans-142.4165.6178.200000110.7E10 I34 V35 L37E10-A26 CarbonylContact O-C 3.37Å; E10-A26 WeakPolarHBondContact O-CA 3.47Å; E10-A26 VanDerWaalsContact O-CB 3.29Å; E10-A26 WeakPolarHBondContact O-CB 3.29Å; A26-I34 WeakPolarHBondContact O-CA 3.32Å; A26-V35 HydrophobicContact CB-CG2 4.02Å; A26-V35 PolarHBondContact N-O 3.46Å; A26-V35 PolarHBondContact O-N 2.84Å; A26-L37 HydrophobicContact CB-CD1 3.42Å; A26-L37 VanDerWaalsContact CB-CD1 3.42Å; A26-L37 HydrophobicContact CB-CD2 4.42Å; A26-L37 HydrophobicContact CB-CG 3.66Å
27R97.7Very high89.6Confident90 Ų9062.7 Ų62.734%0.3431%0.311SS..EExtended strand (participates in β ladder)trans-115.4129.4173.3-175.8-174.4-67.9141-9.3109.2Y9 E10 L12 R29 E33 I34Y9-R27 CarbonylContact C-O 3.58Å; Y9-R27 WeakPolarHBondContact CA-O 3.15Å; E10-R27 HydrophobicContact CB-CB 4.42Å; E10-R27 PolarHBondContact N-O 2.94Å; E10-R27 PolarHBondContact O-N 3.06Å; E10-R27 IonicContact OE2-CZ 3.92Å; E10-R27 IonicContact OE2-NH1 2.94Å; E10-R27 PolarHBondContact OE2-NH1 2.77Å; L12-R27 HydrophobicContact CD1-CB 4.31Å; R27-R29 PolarHBondContact O-N 2.87Å; R27-E33 CarbonylContact C-O 3.57Å; R27-E33 WeakPolarHBondContact CA-O 3.26Å; R27-I34 HydrophobicContact CB-CD1 4.07Å; R27-I34 HydrophobicContact CG-CD1 4.19Å
28N96.7Very high90.2Very high19 Ų1957.7 Ų57.710%0.10229%0.288CS..EExtended strand (participates in β ladder)trans-64.5124.1167-175.9-32.8000108.7Y9 E30 T31 H32 E33Y9-N28 HydrophobicContact CD1-CB 4.1Å; Y9-N28 HydrophobicContact CE1-CB 3.91Å; N28-E30 VanDerWaalsContact C-N 3.27Å; N28-E30 PolarHBondContact O-N 2.9Å; N28-E30 PolarHBondContact OD1-N 2.84Å; N28-T31 VanDerWaalsContact CB-OG1 3.3Å; N28-T31 WeakPolarHBondContact CB-OG1 3.4Å; N28-T31 VanDerWaalsContact CG-OG1 3.22Å; N28-T31 PolarHBondContact ND2-OG1 3.36Å; N28-T31 PolarHBondContact OD1-N 2.81Å; N28-H32 WeakPolarHBondContact O-CA 3.5Å; N28-H32 PolarHBondContact O-N 3.31Å; N28-E33 PolarHBondContact N-O 3.32Å
29R96.1Very high91.2Very high127 Ų12758 Ų5848%0.47928%0.278SS..THydrogen-bonded Turntrans-70-23.9-175.4-69.8179.9176.4-76.7-0.8113.4V6 L7 K8 E10 R27V6-R29 PolarHBondContact O-NE 3.48Å; L7-R29 VanDerWaalsContact O-CD 3.31Å; L7-R29 WeakPolarHBondContact O-CD 3.31Å; K8-R29 WeakPolarHBondContact O-CB 3.42Å; K8-R29 PolarHBondContact O-N 3.48Å; E10-R29 HydrophobicContact CB-CG 4.26Å; R27-R29 PolarHBondContact O-N 2.87Å
30E94.8Very high92.2Very high163 Ų16352.5 Ų52.576%0.76224%0.244SC*.THydrogen-bonded Turntrans-90-49.3-179.2-175.2178.3-176.200111.4N28N28-E30 VanDerWaalsContact C-N 3.27Å; N28-E30 PolarHBondContact O-N 2.9Å; N28-E30 PolarHBondContact OD1-N 2.84Å
31T95.6Very high92.9Very high77 Ų7756 Ų5647%0.47226%0.257SS..THydrogen-bonded Turntrans-92-10.1-175.566.10000113.8N28 E33N28-T31 VanDerWaalsContact CB-OG1 3.3Å; N28-T31 WeakPolarHBondContact CB-OG1 3.4Å; N28-T31 VanDerWaalsContact CG-OG1 3.22Å; N28-T31 PolarHBondContact ND2-OG1 3.36Å; N28-T31 PolarHBondContact OD1-N 2.81Å; T31-E33 PolarHBondContact O-N 2.8Å; T31-E33 VanDerWaalsContact OG1-CB 3.3Å; T31-E33 WeakPolarHBondContact OG1-CB 3.45Å; T31-E33 PolarHBondContact OG1-N 2.81Å
32H95.5Very high93Very high136 Ų13656.4 Ų56.463%0.6326%0.255SS*.  trans58.77.4-169.7-58.7-63.6000115.3N28N28-H32 WeakPolarHBondContact O-CA 3.5Å; N28-H32 PolarHBondContact O-N 3.31Å
33E96.1Very high91.9Very high90 Ų9059.6 Ų59.642%0.42127%0.271SS..  trans-67.3139.9178-173.5178.2-164.300111.5R27 N28 T31 V35 F72R27-E33 CarbonylContact C-O 3.57Å; R27-E33 WeakPolarHBondContact CA-O 3.26Å; N28-E33 PolarHBondContact N-O 3.32Å; T31-E33 PolarHBondContact O-N 2.8Å; T31-E33 VanDerWaalsContact OG1-CB 3.3Å; T31-E33 WeakPolarHBondContact OG1-CB 3.45Å; T31-E33 PolarHBondContact OG1-N 2.81Å; E33-V35 HydrophobicContact CG-CG1 4.44Å; E33-F72 WeakPolarHBondContact OE1-CZ 3.2Å
34I97.4Very high90.4Very high55 Ų5563.6 Ų63.628%0.28229%0.291SS..EExtended strand (participates in β ladder)trans-84.1131.1174.7-58-59.9000109.6L12 K25 A26 R27 Y87L12-I34 HydrophobicContact CD1-CD1 3.94Å; K25-I34 HydrophobicContact CD-CG2 4.31Å; K25-I34 HydrophobicContact CG-CG2 3.83Å; A26-I34 WeakPolarHBondContact O-CA 3.32Å; R27-I34 HydrophobicContact CB-CD1 4.07Å; R27-I34 HydrophobicContact CG-CD1 4.19Å; I34-Y87 HydrophobicContact CB-CD1 4.49Å; I34-Y87 HydrophobicContact CG2-CD1 3.55Å; I34-Y87 HydrophobicContact CG2-CD2 4.38Å; I34-Y87 HydrophobicContact CG2-CE1 4.16Å; I34-Y87 HydrophobicContact CG2-CG 3.67Å
35V97.1Very high88.6Confident1 Ų168.8 Ų68.81%0.00632%0.321CS..EExtended strand (participates in β ladder)trans-134.4160.5-175.9-58.50000111.6Y9 A26 E33 L37 F72 V84 F85Y9-V35 HydrophobicContact CD1-CG2 3.71Å; Y9-V35 HydrophobicContact CE1-CG2 3.83Å; A26-V35 HydrophobicContact CB-CG2 4.02Å; A26-V35 PolarHBondContact N-O 3.46Å; A26-V35 PolarHBondContact O-N 2.84Å; E33-V35 HydrophobicContact CG-CG1 4.44Å; V35-L37 HydrophobicContact CG2-CD2 4Å; V35-L37 HydrophobicContact CG2-CG 4.5Å; V35-F72 HydrophobicContact CG1-CD2 3.88Å; V35-F72 HydrophobicContact CG1-CE2 4.02Å; V35-V84 HydrophobicContact CB-CG1 3.89Å; V35-V84 HydrophobicContact CG1-CG1 4.2Å; V35-V84 HydrophobicContact CG2-CG1 3.94Å; V35-F85 WeakPolarHBondContact CB-O 3.28Å
36A96.1Very high87Confident10 Ų1074.5 Ų74.58%0.08335%0.354CS..EExtended strand (participates in β ladder)trans-103.6127.6170.700000110.8I15 V23 Y24 F85 Y87I15-A36 HydrophobicContact CD1-CB 4.4Å; V23-A36 HydrophobicContact CG1-CB 4.34Å; Y24-A36 CarbonylContact O-C 3.56Å; Y24-A36 WeakPolarHBondContact O-CA 3.37Å; A36-F85 HydrophobicContact CB-CB 4.28Å; A36-F85 PolarHBondContact N-O 2.79Å; A36-F85 PolarHBondContact O-N 2.88Å; A36-Y87 HydrophobicContact CB-CD2 4.44Å
37L94.4Very high85.5Confident2 Ų282.6 Ų82.61%0.0139%0.392CS..EExtended strand (participates in β ladder)trans-105.7105.1178.5-55.3-178000110.3V5 Y9 V23 Y24 A26 V35 T82 V84V5-L37 HydrophobicContact CG1-CD1 4.2Å; Y9-L37 HydrophobicContact CD1-CD2 4.47Å; Y9-L37 HydrophobicContact CD2-CD2 4.33Å; Y9-L37 HydrophobicContact CG-CD2 4.24Å; V23-L37 WeakPolarHBondContact CA-O 3.44Å; Y24-L37 PolarHBondContact N-O 3.14Å; Y24-L37 PolarHBondContact O-N 2.95Å; A26-L37 HydrophobicContact CB-CD1 3.42Å; A26-L37 VanDerWaalsContact CB-CD1 3.42Å; A26-L37 HydrophobicContact CB-CD2 4.42Å; A26-L37 HydrophobicContact CB-CG 3.66Å; V35-L37 HydrophobicContact CG2-CD2 4Å; V35-L37 HydrophobicContact CG2-CG 4.5Å; L37-T82 HydrophobicContact CB-CG2 4.07Å; L37-T82 HydrophobicContact CD2-CG2 4.15Å; L37-V84 HydrophobicContact CD2-CB 4.22Å; L37-V84 HydrophobicContact CD2-CG1 3.93Å; L37-V84 HydrophobicContact CD2-CG2 3.75Å
38K91.2Very high84.5Confident17 Ų1780.1 Ų80.17%0.07439%0.394CS..EExtended strand (participates in β ladder)trans-86.4109.6170.8-168.4178.7-167.5-178.40108.4V23 E56 I83 F85 D149V23-K38 HydrophobicContact CG2-CG 4.33Å; K38-E56 IonicContact NZ-OE1 2.69Å; K38-E56 PolarHBondContact NZ-OE1 3.01Å; K38-E56 IonicContact NZ-OE2 3.15Å; K38-E56 PolarHBondContact NZ-OE2 2.78Å; K38-I83 HydrophobicContact CB-CB 4.33Å; K38-I83 PolarHBondContact N-O 3.32Å; K38-I83 PolarHBondContact O-N 2.84Å; K38-F85 HydrophobicContact CB-CD2 4.18Å; K38-F85 HydrophobicContact CB-CE2 3.87Å; K38-F85 HydrophobicContact CD-CE2 3.94Å; K38-D149 IonicContact NZ-OD1 3.31Å; K38-D149 PolarHBondContact NZ-OD1 3.32Å
39R89.4Confident83.6Confident41 Ų4182 Ų8216%0.15540%0.403CS..EExtended strand (participates in β ladder)trans-99.4115.9-178.9-63.5-170.675.7179.715110.4G21 K22 Y24 R80 L81 T82G21-R39 WeakPolarHBondContact CA-O 3.34Å; K22-R39 PolarHBondContact N-O 2.73Å; K22-R39 PolarHBondContact O-N 3.06Å; Y24-R39 HydrophobicContact CD2-CG 4.26Å; Y24-R39 HydrophobicContact CE2-CG 4.34Å; R39-R80 VanDerWaalsContact NH1-NH1 3.16Å; R39-R80 VanDerWaalsContact NH2-NH1 3.17Å; R39-L81 WeakPolarHBondContact CA-O 3.42Å; R39-T82 HydrophobicContact CG-CG2 4.22Å
40V84.9Confident82.9Confident4 Ų478 Ų782%0.02439%0.394CS..EExtended strand (participates in β ladder)trans-100.6128.2175.6-1770000108.4Y20 P50 A53 L81 I83Y20-V40 WeakPolarHBondContact O-CA 3.26Å; V40-P50 HydrophobicContact CG1-CG 3.97Å; V40-A53 HydrophobicContact CG2-CB 4.36Å; V40-L81 HydrophobicContact CB-CB 4.27Å; V40-L81 PolarHBondContact N-O 3.02Å; V40-L81 PolarHBondContact O-N 3.36Å; V40-L81 VanDerWaalsContact O-N 3.07Å; V40-I83 HydrophobicContact CG2-CD1 4.46Å
41R80.6Confident82.2Confident149 Ų14974.3 Ų74.356%0.56239%0.386SS*.EExtended strand (participates in β ladder)trans-77.4135.4171.5-71.5-178.3175.9178.2-3.6108.6E43R41-E43 HydrophobicContact CB-CG 4.03Å; R41-E43 PolarHBondContact O-N 2.88Å
42L80Confident81.4Confident25 Ų2571 Ų7113%0.13137%0.366CS..  trans-93.493.5169.1-53.4177.8000104.9N44 I49 L76 S79 L81L42-N44 PolarHBondContact O-N 3.18Å; L42-I49 HydrophobicContact CD2-CG1 4.32Å; L42-L76 HydrophobicContact CD1-CD1 3.73Å; L42-S79 PolarHBondContact N-O 3.3Å; L42-L81 HydrophobicContact CD2-CB 4.2Å
43E65.5Low80.7Confident134 Ų13464.6 Ų64.663%0.62634%0.337SS*.  trans-81.798.2-179.4-65.3-171.3171.100107.3R41R41-E43 HydrophobicContact CB-CG 4.03Å; R41-E43 PolarHBondContact O-N 2.88Å
44N61.5Low80.1Confident119 Ų11966.1 Ų66.164%0.63634%0.342SS*.SBendtrans87.1129.6-177.1-48.7-37.4000115.3L42 D46L42-N44 PolarHBondContact O-N 3.18Å; N44-D46 PolarHBondContact O-N 2.56Å; N44-D46 VanDerWaalsContact O-N 3.11Å
45D56.8Low79.4Confident144 Ų14467.5 Ų67.577%0.7734%0.344SS*.THydrogen-bonded Turntrans-62.1-18.6-177.9-71.8-27.2000113.2
46D62.3Low78.7Confident162 Ų16267.6 Ų67.687%0.86634%0.344SS*.THydrogen-bonded Turntrans-82.9-27.9-173.6-65.5-35.9000114.6N44N44-D46 PolarHBondContact O-N 2.56Å; N44-D46 VanDerWaalsContact O-N 3.11Å
47E65.4Low78.4Confident170 Ų17067.7 Ų67.779%0.79434%0.343SS*.THydrogen-bonded Turntrans-93.4-12.8-177.8-71-167.2174.400113.7
48G76.2Confident78.2Confident37 Ų3770.3 Ų70.338%0.38136%0.361SS..  trans64.8-143.1178.400000113.7
49I79.8Confident78.1Confident60 Ų6070.5 Ų70.531%0.30836%0.363SS..SBendtrans-77.4127.6-178.2-63.6172.7000109.9L42 S51 A53 F54 L81L42-I49 HydrophobicContact CD2-CG1 4.32Å; I49-S51 PolarHBondContact O-N 3.3Å; I49-A53 HydrophobicContact CG2-CB 4.2Å; I49-F54 HydrophobicContact CG2-CB 4.04Å; I49-L81 HydrophobicContact CD1-CD1 4.45Å; I49-L81 HydrophobicContact CG1-CD2 4.47Å; I49-L81 HydrophobicContact CG2-CD2 3.69Å
50P80.1Confident78.2Confident43 Ų4368.9 Ų68.928%0.27936%0.357SS..  trans-53.1134.6175.6-28.135000112.5V40 S52 A53 F54V40-P50 HydrophobicContact CG1-CG 3.97Å; P50-S52 PolarHBondContact O-N 3.15Å; P50-S52 VanDerWaalsContact O-N 3.12Å; P50-A53 HydrophobicContact CB-CB 4.4Å; P50-A53 PolarHBondContact O-N 2.69Å; P50-F54 PolarHBondContact O-N 3Å
51S80.6Confident78.5Confident84 Ų8474.3 Ų74.359%0.58738%0.38SS*.Hα-helixtrans-58.4-30.2-174.868.20000114I49 R55I49-S51 PolarHBondContact O-N 3.3Å; S51-R55 VanDerWaalsContact O-CB 3.24Å; S51-R55 WeakPolarHBondContact O-CB 3.46Å; S51-R55 PolarHBondContact O-N 2.87Å
52S77.5Confident79Confident9 Ų974 Ų746%0.06339%0.385CS..Hα-helixtrans-65.4-48173.251.20000111.9Y20 P50 R55 E56Y20-S52 WeakPolarHBondContact CE1-OG 3.45Å; Y20-S52 VanDerWaalsContact CZ-OG 3.26Å; Y20-S52 WeakPolarHBondContact OH-CB 3.31Å; P50-S52 PolarHBondContact O-N 3.15Å; P50-S52 VanDerWaalsContact O-N 3.12Å; S52-R55 PolarHBondContact O-N 3.07Å; S52-E56 WeakPolarHBondContact O-CB 3.45Å; S52-E56 PolarHBondContact O-N 3.03Å
53A81.1Confident79.7Confident1 Ų173 Ų731%0.00838%0.38CS..Hα-helixtrans-65.4-42.9178.900000111.5V40 I49 P50 R55 E56 I57 L81V40-A53 HydrophobicContact CG2-CB 4.36Å; I49-A53 HydrophobicContact CG2-CB 4.2Å; P50-A53 HydrophobicContact CB-CB 4.4Å; P50-A53 PolarHBondContact O-N 2.69Å; A53-R55 PolarHBondContact O-N 2.95Å; A53-E56 PolarHBondContact O-N 2.97Å; A53-I57 WeakPolarHBondContact O-CD1 3.35Å; A53-I57 VanDerWaalsContact O-CG1 3.27Å; A53-I57 WeakPolarHBondContact O-CG1 3.24Å; A53-I57 PolarHBondContact O-N 3.31Å; A53-L81 HydrophobicContact CB-CD2 4.01Å
54F84.1Confident81.2Confident122 Ų12274.3 Ų74.354%0.53538%0.383SS..Hα-helixtrans-60.7-45.7175.3-175.4-99.8000111.6I49 P50 I57 C58I49-F54 HydrophobicContact CG2-CB 4.04Å; P50-F54 PolarHBondContact O-N 3Å; F54-I57 PolarHBondContact O-N 3.36Å; F54-C58 VanDerWaalsContact CE1-SG 3.51Å; F54-C58 PolarHBondContact O-N 3.14Å; F54-C58 PolarHBondContact O-SG 3.48Å; F54-C58 VanDerWaalsContact O-SG 3.38Å
55R82.9Confident82.9Confident83 Ų8370.5 Ų70.531%0.31336%0.362SS..Hα-helixtrans-62.3-45.6177.3-171.4-175.6-54.1120.87.8112.2S51 S52 A53 I57 C58 L59 A153S51-R55 VanDerWaalsContact O-CB 3.24Å; S51-R55 WeakPolarHBondContact O-CB 3.46Å; S51-R55 PolarHBondContact O-N 2.87Å; S52-R55 PolarHBondContact O-N 3.07Å; A53-R55 PolarHBondContact O-N 2.95Å; R55-I57 VanDerWaalsContact C-N 3.3Å; R55-I57 PolarHBondContact O-N 3.47Å; R55-C58 PolarHBondContact O-N 3.2Å; R55-L59 HydrophobicContact CG-CD1 3.94Å; R55-L59 HydrophobicContact CG-CG 4.32Å; R55-L59 WeakPolarHBondContact O-CB 3.25Å; R55-L59 WeakPolarHBondContact O-CG 3.24Å; R55-L59 PolarHBondContact O-N 3.16Å; R55-A153 WeakPolarHBondContact CD-O 3.41Å
56E83.4Confident84.8Confident3 Ų370.5 Ų70.51%0.01436%0.355CS..Hα-helixtrans-56.2-46.3176.5-176.9174.4-165.800110.7K38 S52 A53 L59 L60 F150K38-E56 IonicContact NZ-OE1 2.69Å; K38-E56 PolarHBondContact NZ-OE1 3.01Å; K38-E56 IonicContact NZ-OE2 3.15Å; K38-E56 PolarHBondContact NZ-OE2 2.78Å; S52-E56 WeakPolarHBondContact O-CB 3.45Å; S52-E56 PolarHBondContact O-N 3.03Å; A53-E56 PolarHBondContact O-N 2.97Å; E56-L59 PolarHBondContact O-N 3.5Å; E56-L60 HydrophobicContact CG-CD1 3.73Å; E56-L60 VanDerWaalsContact O-CB 3.31Å; E56-L60 WeakPolarHBondContact O-CB 3.49Å; E56-L60 WeakPolarHBondContact O-CG 3.4Å; E56-L60 PolarHBondContact O-N 2.9Å; E56-F150 HydrophobicContact CG-CB 4.21Å
57I88.6Confident86.6Confident13 Ų1363 Ų637%0.06732%0.315CS..Hα-helixtrans-60.8-48.8175.6-69.2161.2000111.5A53 F54 R55 L59 L60 K61 L71 V74 L81 I83A53-I57 WeakPolarHBondContact O-CD1 3.35Å; A53-I57 VanDerWaalsContact O-CG1 3.27Å; A53-I57 WeakPolarHBondContact O-CG1 3.24Å; A53-I57 PolarHBondContact O-N 3.31Å; F54-I57 PolarHBondContact O-N 3.36Å; R55-I57 VanDerWaalsContact C-N 3.3Å; R55-I57 PolarHBondContact O-N 3.47Å; I57-L59 PolarHBondContact O-N 3.34Å; I57-L60 PolarHBondContact O-N 2.87Å; I57-K61 HydrophobicContact CG2-CD 4.33Å; I57-K61 WeakPolarHBondContact O-CG 3.33Å; I57-K61 PolarHBondContact O-N 3.5Å; I57-L71 HydrophobicContact CG2-CD2 4.28Å; I57-V74 HydrophobicContact CD1-CG1 3.79Å; I57-V74 HydrophobicContact CD1-CG2 4.14Å; I57-V74 HydrophobicContact CG1-CG2 4Å; I57-V74 HydrophobicContact CG2-CG2 3.85Å; I57-L81 HydrophobicContact CD1-CD1 4.38Å; I57-L81 HydrophobicContact CD1-CD2 3.94Å; I57-I83 HydrophobicContact CD1-CD1 3.93Å; I57-I83 HydrophobicContact CD1-CG1 4.12Å; I57-I83 HydrophobicContact CG1-CD1 3.91Å; I57-I83 HydrophobicContact CG1-CG1 4.28Å; I57-I83 HydrophobicContact CG1-CG2 4.34Å
58C89.7Confident88.1Confident56 Ų5655 Ų5538%0.37828%0.277SS..Hα-helixtrans-61.9-43.6-178.7-74.10000112.3F54 R55F54-C58 VanDerWaalsContact CE1-SG 3.51Å; F54-C58 PolarHBondContact O-N 3.14Å; F54-C58 PolarHBondContact O-SG 3.48Å; F54-C58 VanDerWaalsContact O-SG 3.38Å; R55-C58 PolarHBondContact O-N 3.2Å
59L89.1Confident89.1Confident22 Ų2253.5 Ų53.512%0.11526%0.261CS..Hα-helixtrans-66.7-49.2177.9-68173.7000111R55 E56 I57 K61 E62 L63 V127 A153R55-L59 HydrophobicContact CG-CD1 3.94Å; R55-L59 HydrophobicContact CG-CG 4.32Å; R55-L59 WeakPolarHBondContact O-CB 3.25Å; R55-L59 WeakPolarHBondContact O-CG 3.24Å; R55-L59 PolarHBondContact O-N 3.16Å; E56-L59 PolarHBondContact O-N 3.5Å; I57-L59 PolarHBondContact O-N 3.34Å; L59-K61 VanDerWaalsContact C-N 3.25Å; L59-K61 PolarHBondContact O-N 3.26Å; L59-E62 PolarHBondContact O-N 3.08Å; L59-L63 HydrophobicContact CB-CD1 4.32Å; L59-L63 WeakPolarHBondContact O-CG 3.36Å; L59-L63 PolarHBondContact O-N 3.01Å; L59-V127 HydrophobicContact CD1-CG1 4.34Å; L59-V127 HydrophobicContact CD2-CG1 4.35Å; L59-V127 HydrophobicContact CD2-CG2 3.88Å; L59-A153 HydrophobicContact CD1-CB 3.61Å
60L91.3Very high89.8Confident6 Ų657.9 Ų57.93%0.03127%0.273CS..Hα-helixtrans-70.9-17.6-175.8-71.4172.8000114.1E56 I57 E62 I68 L71 F85 F150E56-L60 HydrophobicContact CG-CD1 3.73Å; E56-L60 VanDerWaalsContact O-CB 3.31Å; E56-L60 WeakPolarHBondContact O-CB 3.49Å; E56-L60 WeakPolarHBondContact O-CG 3.4Å; E56-L60 PolarHBondContact O-N 2.9Å; I57-L60 PolarHBondContact O-N 2.87Å; L60-E62 VanDerWaalsContact C-N 3.3Å; L60-I68 HydrophobicContact CD2-CG2 3.85Å; L60-L71 HydrophobicContact CB-CB 3.95Å; L60-L71 HydrophobicContact CB-CD2 4.17Å; L60-F85 HydrophobicContact CD1-CE1 3.48Å; L60-F85 VanDerWaalsContact CD1-CE1 3.48Å; L60-F85 HydrophobicContact CD1-CZ 3.95Å; L60-F150 HydrophobicContact CD1-CB 4.37Å; L60-F150 HydrophobicContact CD1-CD2 4.29Å; L60-F150 HydrophobicContact CD2-CD2 3.61Å; L60-F150 HydrophobicContact CD2-CE2 3.86Å; L60-F150 HydrophobicContact CD2-CG 4.03Å; L60-F150 HydrophobicContact CD2-CZ 4.47Å; L60-F150 HydrophobicContact CG-CB 4.32Å; L60-F150 HydrophobicContact CG-CD2 4.22Å; L60-F150 HydrophobicContact CG-CG 4.32Å
61K91.8Very high90.6Very high118 Ų11857 Ų5751%0.51327%0.266SS..Hα-helixtrans-64.1-36.2168.3-83.3-177.6175.9-174.40112.5I57 L59 K64 L71I57-K61 HydrophobicContact CG2-CD 4.33Å; I57-K61 WeakPolarHBondContact O-CG 3.33Å; I57-K61 PolarHBondContact O-N 3.5Å; L59-K61 VanDerWaalsContact C-N 3.25Å; L59-K61 PolarHBondContact O-N 3.26Å; K61-K64 VanDerWaalsContact O-CE 3.28Å; K61-K64 WeakPolarHBondContact O-CE 3.39Å; K61-L71 HydrophobicContact CG-CD2 3.86Å
62E91.5Very high91.2Very high142 Ų14256.1 Ų56.166%0.66425%0.252SS*.Hα-helixtrans-91-29.1-179-59-54.1136.900112.3L59 L60 K64L59-E62 PolarHBondContact O-N 3.08Å; L60-E62 VanDerWaalsContact C-N 3.3Å; E62-K64 PolarHBondContact O-N 3.17Å
63L94.3Very high91.9Very high5 Ų557.9 Ų57.93%0.02626%0.261CS..  trans-81.873.5-175.3-66.1175.4000113.7L59 I68 F121 H125 V127 F150L59-L63 HydrophobicContact CB-CD1 4.32Å; L59-L63 WeakPolarHBondContact O-CG 3.36Å; L59-L63 PolarHBondContact O-N 3.01Å; L63-I68 HydrophobicContact CB-CD1 4.08Å; L63-I68 HydrophobicContact CB-CG2 4.3Å; L63-I68 HydrophobicContact CD2-CD1 4.5Å; L63-F121 HydrophobicContact CB-CE1 4.47Å; L63-F121 HydrophobicContact CD2-CD1 4.09Å; L63-F121 HydrophobicContact CD2-CE1 3.88Å; L63-H125 HydrophobicContact CD2-CB 4Å; L63-V127 HydrophobicContact CD1-CB 4.47Å; L63-V127 HydrophobicContact CD1-CG1 4.16Å; L63-V127 HydrophobicContact CD1-CG2 4.3Å; L63-V127 HydrophobicContact CD2-CG2 4.14Å; L63-F150 HydrophobicContact CD1-CD1 3.87Å; L63-F150 HydrophobicContact CD1-CE1 3.53Å; L63-F150 HydrophobicContact CD1-CZ 4.18Å
64K96.5Very high92.4Very high161 Ų16160 Ų6070%0.727%0.273SS*.  trans-95.994179.1-61.3179.2-172.8168.40111.9K61 E62K61-K64 VanDerWaalsContact O-CE 3.28Å; K61-K64 WeakPolarHBondContact O-CE 3.39Å; E62-K64 PolarHBondContact O-N 3.17Å
65H98.1Very high92.8Very high40 Ų4054.4 Ų54.419%0.18525%0.249CC..  trans-144.4151.8178.9-175.4-100000111.7N67 I68 F121H65-N67 PolarHBondContact CE1-OD1 2.87Å; H65-N67 VanDerWaalsContact CE1-OD1 3.25Å; H65-N67 PolarHBondContact ND1-N 3.4Å; H65-N67 VanDerWaalsContact ND1-N 3.13Å; H65-N67 PolarHBondContact O-N 2.96Å; H65-I68 HydrophobicContact CB-CB 4.38Å; H65-I68 HydrophobicContact CB-CD1 3.93Å; H65-I68 HydrophobicContact CB-CG1 4.08Å; H65-I68 PolarHBondContact O-N 3.13Å; H65-I68 VanDerWaalsContact O-N 3.13Å; H65-I68 VanDerWaalsContact O-O 3.09Å; H65-F121 HydrophobicContact CB-CB 4.32Å; H65-F121 HydrophobicContact CB-CD1 3.73Å; H65-F121 HydrophobicContact CB-CD2 4.06Å; H65-F121 HydrophobicContact CB-CE1 3.99Å; H65-F121 HydrophobicContact CB-CE2 4.29Å; H65-F121 HydrophobicContact CB-CG 3.76Å; H65-F121 HydrophobicContact CB-CZ 4.26Å; H65-F121 AromaticContact CD2-CD2 3.72Å; H65-F121 AromaticContact CD2-CG 3.93Å; H65-F121 AromaticContact CG-CG 3.85Å
66K97.4Very high93Very high143 Ų14355.5 Ų55.562%0.62226%0.261SS*.THydrogen-bonded Turntrans-59.1-34.5-177.4-73.3-166.8173-166.70113.4K146K66-K146 WeakPolarHBondContact O-CG 3.21Å; K66-K146 PolarHBondContact O-NZ 3.34Å
67N98.4Very high93Very high5 Ų556.6 Ų56.63%0.02727%0.269CS..THydrogen-bonded Turntrans-97.623.7-179.7-54.5109.4000113.4H65 Q114 L145 L147H65-N67 PolarHBondContact CE1-OD1 2.87Å; H65-N67 VanDerWaalsContact CE1-OD1 3.25Å; H65-N67 PolarHBondContact ND1-N 3.4Å; H65-N67 VanDerWaalsContact ND1-N 3.13Å; H65-N67 PolarHBondContact O-N 2.96Å; N67-Q114 VanDerWaalsContact CB-O 3.28Å; N67-Q114 WeakPolarHBondContact CB-O 3.29Å; N67-Q114 WeakPolarHBondContact ND2-CB 3.27Å; N67-Q114 WeakPolarHBondContact ND2-CG 3.48Å; N67-Q114 PolarHBondContact ND2-OE1 3.34Å; N67-Q114 VanDerWaalsContact ND2-OE1 3.14Å; N67-L145 WeakPolarHBondContact CA-O 3.46Å; N67-L145 WeakPolarHBondContact CB-O 2.97Å; N67-L145 PolarHBondContact ND2-O 3.39Å; N67-L147 WeakPolarHBondContact O-CG 3.41Å; N67-L147 PolarHBondContact O-N 3.37Å
68I97.9Very high92.5Very high1 Ų162.1 Ų62.11%0.00529%0.294CS..BIsolated β-bridgetrans-128.6135.2170.9-60.9177000107.2L60 L63 H65 R70 F121 C122 L147 F150L60-I68 HydrophobicContact CD2-CG2 3.85Å; L63-I68 HydrophobicContact CB-CD1 4.08Å; L63-I68 HydrophobicContact CB-CG2 4.3Å; L63-I68 HydrophobicContact CD2-CD1 4.5Å; H65-I68 HydrophobicContact CB-CB 4.38Å; H65-I68 HydrophobicContact CB-CD1 3.93Å; H65-I68 HydrophobicContact CB-CG1 4.08Å; H65-I68 PolarHBondContact O-N 3.13Å; H65-I68 VanDerWaalsContact O-N 3.13Å; H65-I68 VanDerWaalsContact O-O 3.09Å; I68-R70 PolarHBondContact O-N 3.25Å; I68-F121 HydrophobicContact CD1-CD1 3.63Å; I68-F121 HydrophobicContact CD1-CE1 4.3Å; I68-F121 HydrophobicContact CD1-CG 4.49Å; I68-C122 WeakPolarHBondContact CD1-SG 3.5Å; I68-L147 HydrophobicContact CG1-CB 4.38Å; I68-L147 HydrophobicContact CG1-CD1 4.36Å; I68-F150 HydrophobicContact CG2-CE2 3.84Å; I68-F150 HydrophobicContact CG2-CZ 3.86Å
69V96.4Very high92.1Very high6 Ų662.4 Ų62.44%0.03630%0.297CS..PPolyproline II helixtrans-59.6128.717970.40000110.1F85 E86 L138 L147 A148V69-F85 HydrophobicContact CG1-CD1 4.33Å; V69-F85 HydrophobicContact CG2-CB 4.19Å; V69-F85 HydrophobicContact CG2-CD1 4.42Å; V69-E86 HydrophobicContact CG2-CB 4.24Å; V69-L138 HydrophobicContact CG2-CD1 4.25Å; V69-L147 WeakPolarHBondContact CG1-O 3.37Å; V69-L147 PolarHBondContact N-O 2.89Å; V69-A148 HydrophobicContact CB-CB 4.24Å; V69-A148 HydrophobicContact CG1-CB 3.9Å
70R96.1Very high91.9Very high152 Ų15266 Ų6657%0.57431%0.309SS*.PPolyproline II helixtrans-80.9129.5-175.9-172165.4172.1-169.51.6111.2I68 F72 F85 E86I68-R70 PolarHBondContact O-N 3.25Å; R70-F72 HydrophobicContact CB-CD1 4.49Å; R70-F72 HydrophobicContact CB-CE1 4.14Å; R70-F72 HydrophobicContact CG-CD1 3.88Å; R70-F72 HydrophobicContact CG-CE1 3.77Å; R70-F85 CarbonylContact O-C 3.46Å; R70-F85 VanDerWaalsContact O-CA 3.31Å; R70-F85 WeakPolarHBondContact O-CA 3.41Å; R70-E86 HydrophobicContact CB-CB 4.07Å; R70-E86 PolarHBondContact N-OE2 3.47Å; R70-E86 PolarHBondContact O-N 3.03Å
71L95.3Very high91.8Very high24 Ų2465.9 Ų65.913%0.12631%0.308CS..EExtended strand (participates in β ladder)trans-80.4121.5165.117766.7000109.4I57 L60 K61 V74 I83 F85I57-L71 HydrophobicContact CG2-CD2 4.28Å; L60-L71 HydrophobicContact CB-CB 3.95Å; L60-L71 HydrophobicContact CB-CD2 4.17Å; K61-L71 HydrophobicContact CG-CD2 3.86Å; L71-V74 HydrophobicContact CD1-CG2 4.08Å; L71-V74 HydrophobicContact CD2-CG2 4.25Å; L71-I83 HydrophobicContact CD1-CG2 3.25Å; L71-F85 HydrophobicContact CB-CD1 4.33Å; L71-F85 HydrophobicContact CB-CE1 4.15Å; L71-F85 HydrophobicContact CD1-CD1 4.17Å; L71-F85 HydrophobicContact CD1-CE1 3.78Å; L71-F85 HydrophobicContact CD1-CZ 4.28Å
72F94.3Very high91.8Very high66 Ų6660.2 Ų60.229%0.28928%0.284SS..EExtended strand (participates in β ladder)trans-95.3-48.1178.7-68.9-33.1000113.1E33 V35 R70 V84 E86E33-F72 WeakPolarHBondContact OE1-CZ 3.2Å; V35-F72 HydrophobicContact CG1-CD2 3.88Å; V35-F72 HydrophobicContact CG1-CE2 4.02Å; R70-F72 HydrophobicContact CB-CD1 4.49Å; R70-F72 HydrophobicContact CB-CE1 4.14Å; R70-F72 HydrophobicContact CG-CD1 3.88Å; R70-F72 HydrophobicContact CG-CE1 3.77Å; F72-V84 HydrophobicContact CB-CB 4.43Å; F72-V84 HydrophobicContact CB-CG1 4.18Å; F72-V84 HydrophobicContact CD2-CG1 4.47Å; F72-V84 PolarHBondContact N-O 3.13Å; F72-E86 HydrophobicContact CE2-CB 4.14Å; F72-E86 HydrophobicContact CZ-CB 4Å
73D91.7Very high91.8Very high46 Ų4653.5 Ų53.525%0.24625%0.252CS..EExtended strand (participates in β ladder)trans-154.3160.1-172.9-155.9-6.5000110.8K8 V84K8-D73 IonicContact NZ-OD2 2.78Å; K8-D73 PolarHBondContact NZ-OD2 3.23Å; D73-V84 HydrophobicContact CB-CB 3.98Å; D73-V84 HydrophobicContact CB-CG2 3.94Å; D73-V84 PolarHBondContact N-O 2.85Å; D73-V84 PolarHBondContact O-N 2.82Å
74V92.3Very high91.8Very high45 Ų4553.2 Ų53.227%0.27325%0.251SS..EExtended strand (participates in β ladder)trans-133.7113.7174.3-178.80000108.2I57 L71 L81 I83I57-V74 HydrophobicContact CD1-CG1 3.79Å; I57-V74 HydrophobicContact CD1-CG2 4.14Å; I57-V74 HydrophobicContact CG1-CG2 4Å; I57-V74 HydrophobicContact CG2-CG2 3.85Å; L71-V74 HydrophobicContact CD1-CG2 4.08Å; L71-V74 HydrophobicContact CD2-CG2 4.25Å; V74-L81 HydrophobicContact CG1-CD1 3.49Å; V74-L81 VanDerWaalsContact CG1-CD1 3.49Å; V74-I83 HydrophobicContact CG2-CG2 4.44Å
75L92Very high91.8Very high6 Ų646.3 Ų46.33%0.03122%0.221CC..EExtended strand (participates in β ladder)trans-109.3122.7-178.2-60.5-178.9000110.3V5 Y9 T82V5-L75 HydrophobicContact CB-CD1 4.3Å; V5-L75 HydrophobicContact CG2-CB 3.96Å; V5-L75 HydrophobicContact CG2-CD1 3.76Å; Y9-L75 HydrophobicContact CD2-CD1 4.01Å; Y9-L75 HydrophobicContact CE2-CD1 3.65Å; L75-T82 PolarHBondContact N-O 2.77Å; L75-T82 PolarHBondContact O-N 2.84Å
76L87.2Confident91.7Very high106 Ų10646.1 Ų46.156%0.55522%0.22SC*.EExtended strand (participates in β ladder)trans-99.4130.9172.2-17363.6000109.6L42 L81L42-L76 HydrophobicContact CD1-CD1 3.73Å; L76-L81 HydrophobicContact CD1-CD1 4.44Å
77S83.5Confident91.7Very high26 Ų2641 Ų4118%0.18220%0.197CC..EExtended strand (participates in β ladder)trans-128.1161.417059.60000108.6S79 R80S77-S79 PolarHBondContact O-N 2.87Å; S77-R80 PolarHBondContact N-O 3.37Å; S77-R80 PolarHBondContact O-N 2.78Å; S77-R80 PolarHBondContact OG-O 3.17Å
78E76.9Confident91.5Very high128 Ų12841.4 Ų41.460%0.59820%0.2SC*.THydrogen-bonded Turntrans-36.8-47.4-167.3-73.7168.8-162.200115M1M1-E78 HydrophobicContact CE-CG 4.08Å; M1-E78 PolarHBondContact N-OE1 2.92Å
79S81.4Confident91.4Very high62 Ų6244 Ų4443%0.43421%0.214SC..THydrogen-bonded Turntrans-123.613.4179.453.60000114.8L42 S77L42-S79 PolarHBondContact N-O 3.3Å; S77-S79 PolarHBondContact O-N 2.87Å
80R85.9Confident91.3Very high99 Ų9946.3 Ų46.337%0.37422%0.224SC..EExtended strand (participates in β ladder)trans-146.9128.7-172-58.7-179.3-173.4-175.85.9112.7R39 S77R39-R80 VanDerWaalsContact NH1-NH1 3.16Å; R39-R80 VanDerWaalsContact NH2-NH1 3.17Å; S77-R80 PolarHBondContact N-O 3.37Å; S77-R80 PolarHBondContact O-N 2.78Å; S77-R80 PolarHBondContact OG-O 3.17Å
81L89.2Confident91.2Very high2 Ų240.2 Ų40.21%0.0120%0.203CC..EExtended strand (participates in β ladder)trans-91.9130166.4177.367.9000109.2R39 V40 L42 I49 A53 I57 V74 L76 I83R39-L81 WeakPolarHBondContact CA-O 3.42Å; V40-L81 HydrophobicContact CB-CB 4.27Å; V40-L81 PolarHBondContact N-O 3.02Å; V40-L81 PolarHBondContact O-N 3.36Å; V40-L81 VanDerWaalsContact O-N 3.07Å; L42-L81 HydrophobicContact CD2-CB 4.2Å; I49-L81 HydrophobicContact CD1-CD1 4.45Å; I49-L81 HydrophobicContact CG1-CD2 4.47Å; I49-L81 HydrophobicContact CG2-CD2 3.69Å; A53-L81 HydrophobicContact CB-CD2 4.01Å; I57-L81 HydrophobicContact CD1-CD1 4.38Å; I57-L81 HydrophobicContact CD1-CD2 3.94Å; V74-L81 HydrophobicContact CG1-CD1 3.49Å; V74-L81 VanDerWaalsContact CG1-CD1 3.49Å; L76-L81 HydrophobicContact CD1-CD1 4.44Å; L81-I83 HydrophobicContact CD2-CD1 4.34Å; L81-I83 HydrophobicContact CD2-CG1 4.33Å; L81-I83 HydrophobicContact CG-CG1 4.16Å
82T91.9Very high91.2Very high0 Ų039 Ų390%020%0.197CC..EExtended strand (participates in β ladder)trans-120.6116.1174.8-56.50000109.2V5 L37 R39 L75V5-T82 HydrophobicContact CG1-CG2 4.18Å; V5-T82 HydrophobicContact CG2-CG2 4.17Å; L37-T82 HydrophobicContact CB-CG2 4.07Å; L37-T82 HydrophobicContact CD2-CG2 4.15Å; R39-T82 HydrophobicContact CG-CG2 4.22Å; L75-T82 PolarHBondContact N-O 2.77Å; L75-T82 PolarHBondContact O-N 2.84Å
83I92Very high91.1Very high0 Ų038.9 Ų38.90%020%0.196CC..EExtended strand (participates in β ladder)trans-100123.4178.8-46.4175.9000107.3K38 V40 I57 L71 V74 L81 F85K38-I83 HydrophobicContact CB-CB 4.33Å; K38-I83 PolarHBondContact N-O 3.32Å; K38-I83 PolarHBondContact O-N 2.84Å; V40-I83 HydrophobicContact CG2-CD1 4.46Å; I57-I83 HydrophobicContact CD1-CD1 3.93Å; I57-I83 HydrophobicContact CD1-CG1 4.12Å; I57-I83 HydrophobicContact CG1-CD1 3.91Å; I57-I83 HydrophobicContact CG1-CG1 4.28Å; I57-I83 HydrophobicContact CG1-CG2 4.34Å; L71-I83 HydrophobicContact CD1-CG2 3.25Å; V74-I83 HydrophobicContact CG2-CG2 4.44Å; L81-I83 HydrophobicContact CD2-CD1 4.34Å; L81-I83 HydrophobicContact CD2-CG1 4.33Å; L81-I83 HydrophobicContact CG-CG1 4.16Å; I83-F85 HydrophobicContact CB-CE2 3.81Å; I83-F85 HydrophobicContact CB-CZ 4.18Å; I83-F85 HydrophobicContact CG2-CD2 4.18Å; I83-F85 HydrophobicContact CG2-CE1 3.97Å; I83-F85 HydrophobicContact CG2-CE2 3.42Å; I83-F85 VanDerWaalsContact CG2-CE2 3.42Å; I83-F85 HydrophobicContact CG2-CZ 3.31Å
84V94.6Very high91.1Very high0 Ų041.6 Ų41.60%021%0.206CC..EExtended strand (participates in β ladder)trans-101.5117.2-175.3-171.30000109Y9 V35 L37 F72 D73Y9-V84 HydrophobicContact CE1-CG1 4.02Å; Y9-V84 HydrophobicContact CE2-CG2 3.84Å; V35-V84 HydrophobicContact CB-CG1 3.89Å; V35-V84 HydrophobicContact CG1-CG1 4.2Å; V35-V84 HydrophobicContact CG2-CG1 3.94Å; L37-V84 HydrophobicContact CD2-CB 4.22Å; L37-V84 HydrophobicContact CD2-CG1 3.93Å; L37-V84 HydrophobicContact CD2-CG2 3.75Å; F72-V84 HydrophobicContact CB-CB 4.43Å; F72-V84 HydrophobicContact CB-CG1 4.18Å; F72-V84 HydrophobicContact CD2-CG1 4.47Å; F72-V84 PolarHBondContact N-O 3.13Å; D73-V84 HydrophobicContact CB-CB 3.98Å; D73-V84 HydrophobicContact CB-CG2 3.94Å; D73-V84 PolarHBondContact N-O 2.85Å; D73-V84 PolarHBondContact O-N 2.82Å
85F95.5Very high91.2Very high15 Ų1541.6 Ų41.67%0.06620%0.201CC..EExtended strand (participates in β ladder)trans-112.6159.4179.6-66.4-71.3000111.7V35 A36 K38 L60 V69 R70 L71 I83 Y87V35-F85 WeakPolarHBondContact CB-O 3.28Å; A36-F85 HydrophobicContact CB-CB 4.28Å; A36-F85 PolarHBondContact N-O 2.79Å; A36-F85 PolarHBondContact O-N 2.88Å; K38-F85 HydrophobicContact CB-CD2 4.18Å; K38-F85 HydrophobicContact CB-CE2 3.87Å; K38-F85 HydrophobicContact CD-CE2 3.94Å; L60-F85 HydrophobicContact CD1-CE1 3.48Å; L60-F85 VanDerWaalsContact CD1-CE1 3.48Å; L60-F85 HydrophobicContact CD1-CZ 3.95Å; V69-F85 HydrophobicContact CG1-CD1 4.33Å; V69-F85 HydrophobicContact CG2-CB 4.19Å; V69-F85 HydrophobicContact CG2-CD1 4.42Å; R70-F85 CarbonylContact O-C 3.46Å; R70-F85 VanDerWaalsContact O-CA 3.31Å; R70-F85 WeakPolarHBondContact O-CA 3.41Å; L71-F85 HydrophobicContact CB-CD1 4.33Å; L71-F85 HydrophobicContact CB-CE1 4.15Å; L71-F85 HydrophobicContact CD1-CD1 4.17Å; L71-F85 HydrophobicContact CD1-CE1 3.78Å; L71-F85 HydrophobicContact CD1-CZ 4.28Å; I83-F85 HydrophobicContact CB-CE2 3.81Å; I83-F85 HydrophobicContact CB-CZ 4.18Å; I83-F85 HydrophobicContact CG2-CD2 4.18Å; I83-F85 HydrophobicContact CG2-CE1 3.97Å; I83-F85 HydrophobicContact CG2-CE2 3.42Å; I83-F85 VanDerWaalsContact CG2-CE2 3.42Å; I83-F85 HydrophobicContact CG2-CZ 3.31Å; F85-Y87 PolarHBondContact O-N 3.45Å
86E95.8Very high91.1Very high36 Ų3641.4 Ų41.417%0.16820%0.2CC..EExtended strand (participates in β ladder)trans-47.9135.1155.8178.7178.2-17600110.1V69 R70 F72 K146V69-E86 HydrophobicContact CG2-CB 4.24Å; R70-E86 HydrophobicContact CB-CB 4.07Å; R70-E86 PolarHBondContact N-OE2 3.47Å; R70-E86 PolarHBondContact O-N 3.03Å; F72-E86 HydrophobicContact CE2-CB 4.14Å; F72-E86 HydrophobicContact CZ-CB 4Å; E86-K146 WeakPolarHBondContact OE1-CE 3.46Å; E86-K146 IonicContact OE1-NZ 2.94Å; E86-K146 PolarHBondContact OE1-NZ 3.25Å; E86-K146 IonicContact OE2-NZ 2.91Å; E86-K146 PolarHBondContact OE2-NZ 2.87Å
87Y96.6Very high91.1Very high37 Ų3740.9 Ų40.915%0.14520%0.198CC..  trans-85140.5173177.3-105.4000110.4I15 K25 I34 A36 F85 D89I15-Y87 HydrophobicContact CD1-CD2 4.17Å; I15-Y87 HydrophobicContact CD1-CE2 3.9Å; K25-Y87 HydrophobicContact CB-CD2 4.5Å; K25-Y87 HydrophobicContact CB-CE2 4.16Å; K25-Y87 HydrophobicContact CD-CE1 4.27Å; K25-Y87 HydrophobicContact CD-CE2 3.84Å; K25-Y87 VanDerWaalsContact CE-CZ 3.49Å; K25-Y87 HydrophobicContact CG-CD2 4.05Å; K25-Y87 HydrophobicContact CG-CE2 3.8Å; K25-Y87 PolarHBondContact NZ-OH 2.87Å; I34-Y87 HydrophobicContact CB-CD1 4.49Å; I34-Y87 HydrophobicContact CG2-CD1 3.55Å; I34-Y87 HydrophobicContact CG2-CD2 4.38Å; I34-Y87 HydrophobicContact CG2-CE1 4.16Å; I34-Y87 HydrophobicContact CG2-CG 3.67Å; A36-Y87 HydrophobicContact CB-CD2 4.44Å; F85-Y87 PolarHBondContact O-N 3.45Å; Y87-D89 WeakPolarHBondContact CE1-OD1 3.44Å
88C96.1Very high91.4Very high12 Ų1243.3 Ų43.38%0.08122%0.215CC..  trans-128.8146.7169.3-60.20000108L138C88-L138 HydrophobicContact CB-CB 3.63Å; C88-L138 HydrophobicContact CB-CD1 4.16Å; C88-L138 HydrophobicContact CB-CG 4.43Å
89D94.2Very high91.9Very high56 Ų5638.8 Ų38.830%0.29920%0.197SC..SBendtrans-72.5-36.7-166.8-56.9-72.2000112.3Y87 I139 N140 D141Y87-D89 WeakPolarHBondContact CE1-OD1 3.44Å; D89-I139 PolarHBondContact N-O 3.39Å; D89-I139 VanDerWaalsContact N-O 3.16Å; D89-N140 VanDerWaalsContact OD2-CA 3.24Å; D89-N140 WeakPolarHBondContact OD2-CA 3.34Å; D89-D141 WeakPolarHBondContact CB-OD1 3.49Å; D89-D141 PolarHBondContact OD2-N 3.33Å
90Q94.5Very high91.9Very high54 Ų5443.4 Ų43.425%0.25222%0.217SC..EExtended strand (participates in β ladder)trans-149.6166.5178.462.6-169.5-48.100112.5K94 Y95 I139Q90-K94 HydrophobicContact CB-CB 4.27Å; Q90-Y95 HydrophobicContact CG-CD2 4.46Å; Q90-I139 HydrophobicContact CG-CB 4.28Å; Q90-I139 PolarHBondContact N-O 3.5Å; Q90-I139 PolarHBondContact O-N 3.23Å
91D94.5Very high91.4Very high24 Ų2439.1 Ų39.113%0.12820%0.204CC..EExtended strand (participates in β ladder)trans-96.4161.8166.258.473000110.2K93 K94 Y95 L137 L138D91-K93 PolarHBondContact O-N 3.46Å; D91-K93 WeakPolarHBondContact OD1-CA 3.5Å; D91-K93 VanDerWaalsContact OD1-CB 3.31Å; D91-K93 WeakPolarHBondContact OD1-CB 3.44Å; D91-K93 PolarHBondContact OD1-N 2.94Å; D91-K93 VanDerWaalsContact OD1-N 3.14Å; D91-K94 PolarHBondContact O-N 3.19Å; D91-K94 PolarHBondContact OD1-N 3.03Å; D91-K94 VanDerWaalsContact OD2-CD 3.29Å; D91-K94 WeakPolarHBondContact OD2-CD 3.5Å; D91-K94 VanDerWaalsContact OD2-CE 3.27Å; D91-K94 WeakPolarHBondContact OD2-CE 3.45Å; D91-K94 IonicContact OD2-NZ 3.44Å; D91-Y95 PolarHBondContact O-N 3.41Å; D91-L137 CarbonylContact C-O 3.54Å; D91-L137 VanDerWaalsContact CA-O 3.32Å; D91-L137 WeakPolarHBondContact CA-O 3.21Å; D91-L138 HydrophobicContact CB-CD2 3.99Å
92L95.1Very high91.3Very high0 Ų043.5 Ų43.50%023%0.227CC..Hα-helixtrans-62.7-28.1-177.5-179.267.9000111.8Y95 F96 F111 P134 L137 I139 I196 M200L92-Y95 HydrophobicContact CD1-CD1 4.45Å; L92-Y95 WeakPolarHBondContact O-CB 3.41Å; L92-Y95 PolarHBondContact O-N 2.98Å; L92-F96 HydrophobicContact CD1-CE1 3.85Å; L92-F96 HydrophobicContact CD1-CZ 4.05Å; L92-F96 HydrophobicContact CD2-CE1 4.41Å; L92-F96 HydrophobicContact CD2-CE2 4.44Å; L92-F96 HydrophobicContact CD2-CZ 3.81Å; L92-F96 HydrophobicContact CG-CE1 3.93Å; L92-F96 HydrophobicContact CG-CE2 4.09Å; L92-F96 HydrophobicContact CG-CZ 3.61Å; L92-F96 WeakPolarHBondContact O-CD2 3.41Å; L92-F96 WeakPolarHBondContact O-CG 3.39Å; L92-F96 PolarHBondContact O-N 2.85Å; L92-F111 HydrophobicContact CD1-CD2 3.94Å; L92-F111 HydrophobicContact CD1-CE2 4.11Å; L92-P134 HydrophobicContact CB-CB 4.13Å; L92-P134 WeakPolarHBondContact CB-O 3.17Å; L92-P134 HydrophobicContact CD2-CB 4.25Å; L92-P134 HydrophobicContact CG-CB 4.23Å; L92-P134 PolarHBondContact N-O 3Å; L92-L137 HydrophobicContact CB-CB 3.92Å; L92-L137 HydrophobicContact CD2-CB 4.32Å; L92-L137 HydrophobicContact CD2-CD1 3.7Å; L92-L137 PolarHBondContact N-O 2.95Å; L92-I139 HydrophobicContact CB-CD1 4.18Å; L92-I139 HydrophobicContact CD1-CD1 3.77Å; L92-I196 HydrophobicContact CD2-CG2 3.74Å; L92-M200 HydrophobicContact CD1-CG 4.32Å; L92-M200 HydrophobicContact CD1-SD 4.25Å; L92-M200 HydrophobicContact CD2-CG 3.96Å; L92-M200 HydrophobicContact CD2-SD 3.98Å
93K92.1Very high91.3Very high63 Ų6343.7 Ų43.727%0.27423%0.228SC..Hα-helixtrans-65.6-48175.517954.3-173.1133.70110.8D91 Y95 F96 D97 P134 Q135D91-K93 PolarHBondContact O-N 3.46Å; D91-K93 WeakPolarHBondContact OD1-CA 3.5Å; D91-K93 VanDerWaalsContact OD1-CB 3.31Å; D91-K93 WeakPolarHBondContact OD1-CB 3.44Å; D91-K93 PolarHBondContact OD1-N 2.94Å; D91-K93 VanDerWaalsContact OD1-N 3.14Å; K93-Y95 VanDerWaalsContact C-N 3.25Å; K93-Y95 PolarHBondContact O-N 3.27Å; K93-F96 HydrophobicContact CD-CD2 4.23Å; K93-F96 WeakPolarHBondContact O-CB 3.32Å; K93-F96 PolarHBondContact O-N 3.22Å; K93-D97 IonicContact NZ-OD1 2.76Å; K93-D97 PolarHBondContact NZ-OD1 2.92Å; K93-D97 IonicContact NZ-OD2 3.29Å; K93-D97 PolarHBondContact O-N 3.49Å; K93-P134 HydrophobicContact CB-CB 3.96Å; K93-P134 PolarHBondContact N-O 3.48Å; K93-Q135 HydrophobicContact CB-CG 4.05Å; K93-Q135 HydrophobicContact CG-CG 4.46Å
94K91.9Very high91.3Very high103 Ų10347.4 Ų47.445%0.44825%0.248SC..Hα-helixtrans-62.6-34.1173.2-71.1177.4-172.5165.40112.2Q90 D91 F96 D97 S98Q90-K94 HydrophobicContact CB-CB 4.27Å; D91-K94 PolarHBondContact O-N 3.19Å; D91-K94 PolarHBondContact OD1-N 3.03Å; D91-K94 VanDerWaalsContact OD2-CD 3.29Å; D91-K94 WeakPolarHBondContact OD2-CD 3.5Å; D91-K94 VanDerWaalsContact OD2-CE 3.27Å; D91-K94 WeakPolarHBondContact OD2-CE 3.45Å; D91-K94 IonicContact OD2-NZ 3.44Å; K94-F96 VanDerWaalsContact C-N 3.34Å; K94-D97 PolarHBondContact O-N 3.22Å; K94-S98 PolarHBondContact O-N 2.95Å; K94-S98 PolarHBondContact O-OG 2.89Å
95Y93.8Very high91.2Very high44 Ų4449.7 Ų49.717%0.17326%0.259CS..Hα-helixtrans-64-37.7175.1-169.3-84.7000112.3Q90 D91 L92 K93 D97 S98 C99 I103 T107 F111 I139Q90-Y95 HydrophobicContact CG-CD2 4.46Å; D91-Y95 PolarHBondContact O-N 3.41Å; L92-Y95 HydrophobicContact CD1-CD1 4.45Å; L92-Y95 WeakPolarHBondContact O-CB 3.41Å; L92-Y95 PolarHBondContact O-N 2.98Å; K93-Y95 VanDerWaalsContact C-N 3.25Å; K93-Y95 PolarHBondContact O-N 3.27Å; Y95-D97 VanDerWaalsContact C-N 3.32Å; Y95-D97 PolarHBondContact O-N 2.93Å; Y95-S98 WeakPolarHBondContact CA-OG 3.31Å; Y95-S98 PolarHBondContact O-N 2.81Å; Y95-S98 PolarHBondContact O-OG 2.88Å; Y95-C99 WeakPolarHBondContact CE1-SG 3.41Å; Y95-C99 PolarHBondContact O-N 2.82Å; Y95-C99 PolarHBondContact O-SG 3.12Å; Y95-I103 HydrophobicContact CD1-CD1 3.73Å; Y95-I103 HydrophobicContact CD1-CG1 4.26Å; Y95-I103 HydrophobicContact CE1-CD1 3.78Å; Y95-I103 HydrophobicContact CE1-CG1 3.99Å; Y95-I103 HydrophobicContact CE1-CG2 4.27Å; Y95-T107 HydrophobicContact CE1-CG2 4.46Å; Y95-F111 HydrophobicContact CD1-CE2 4.03Å; Y95-F111 AromaticContact CE1-CE2 3.8Å; Y95-F111 HydrophobicContact CE1-CE2 3.8Å; Y95-F111 HydrophobicContact CE1-CZ 4.35Å; Y95-F111 HydrophobicContact CE2-CE2 4.47Å; Y95-F111 HydrophobicContact CE2-CZ 4.28Å; Y95-F111 HydrophobicContact CG-CE2 4.48Å; Y95-I139 HydrophobicContact CD1-CD1 4.38Å; Y95-I139 HydrophobicContact CD2-CD1 3.79Å; Y95-I139 HydrophobicContact CG-CD1 3.69Å
96F90.5Very high91.2Very high2 Ų254.1 Ų54.11%0.00928%0.283CS..Hα-helixtrans-59.2-46171.2-63-37.2000111.9L92 K93 K94 S98 C99 D100 G101 I103 P134 E199 M200L92-F96 HydrophobicContact CD1-CE1 3.85Å; L92-F96 HydrophobicContact CD1-CZ 4.05Å; L92-F96 HydrophobicContact CD2-CE1 4.41Å; L92-F96 HydrophobicContact CD2-CE2 4.44Å; L92-F96 HydrophobicContact CD2-CZ 3.81Å; L92-F96 HydrophobicContact CG-CE1 3.93Å; L92-F96 HydrophobicContact CG-CE2 4.09Å; L92-F96 HydrophobicContact CG-CZ 3.61Å; L92-F96 WeakPolarHBondContact O-CD2 3.41Å; L92-F96 WeakPolarHBondContact O-CG 3.39Å; L92-F96 PolarHBondContact O-N 2.85Å; K93-F96 HydrophobicContact CD-CD2 4.23Å; K93-F96 WeakPolarHBondContact O-CB 3.32Å; K93-F96 PolarHBondContact O-N 3.22Å; K94-F96 VanDerWaalsContact C-N 3.34Å; F96-S98 VanDerWaalsContact C-N 3.31Å; F96-S98 PolarHBondContact O-N 3.38Å; F96-C99 PolarHBondContact O-N 3.13Å; F96-D100 PolarHBondContact O-N 3.11Å; F96-G101 PolarHBondContact O-N 2.9Å; F96-I103 HydrophobicContact CD1-CD1 3.51Å; F96-I103 HydrophobicContact CD1-CG1 4.33Å; F96-I103 HydrophobicContact CE1-CD1 3.47Å; F96-I103 VanDerWaalsContact CE1-CD1 3.47Å; F96-P134 HydrophobicContact CD2-CB 4.44Å; F96-P134 HydrophobicContact CE2-CB 3.78Å; F96-P134 HydrophobicContact CE2-CG 3.74Å; F96-P134 HydrophobicContact CZ-CG 4.47Å; F96-E199 HydrophobicContact CD2-CG 4.45Å; F96-E199 HydrophobicContact CE2-CG 3.68Å; F96-E199 WeakPolarHBondContact CE2-OE1 3.42Å; F96-E199 HydrophobicContact CZ-CG 3.94Å; F96-M200 HydrophobicContact CE1-CB 4.23Å; F96-M200 HydrophobicContact CE1-CG 3.77Å; F96-M200 HydrophobicContact CZ-CB 4.47Å; F96-M200 HydrophobicContact CZ-CG 3.76Å
97D87.6Confident91.1Very high95 Ų9553.5 Ų53.551%0.50828%0.282SS..Hα-helixtrans-68.7-31.1-176.5-57.4-23.8000111.5K93 K94 Y95K93-D97 IonicContact NZ-OD1 2.76Å; K93-D97 PolarHBondContact NZ-OD1 2.92Å; K93-D97 IonicContact NZ-OD2 3.29Å; K93-D97 PolarHBondContact O-N 3.49Å; K94-D97 PolarHBondContact O-N 3.22Å; Y95-D97 VanDerWaalsContact C-N 3.32Å; Y95-D97 PolarHBondContact O-N 2.93Å
98S89.9Confident91.1Very high77 Ų7751.8 Ų51.854%0.53828%0.275SS..Hα-helixtrans-77.5-22.9177.1680000114.1K94 Y95 F96K94-S98 PolarHBondContact O-N 2.95Å; K94-S98 PolarHBondContact O-OG 2.89Å; Y95-S98 WeakPolarHBondContact CA-OG 3.31Å; Y95-S98 PolarHBondContact O-N 2.81Å; Y95-S98 PolarHBondContact O-OG 2.88Å; F96-S98 VanDerWaalsContact C-N 3.31Å; F96-S98 PolarHBondContact O-N 3.38Å
99C86.7Confident91.1Very high34 Ų3452.7 Ų52.723%0.2328%0.278CS..THydrogen-bonded Turntrans-95.312.4177.5-60.70000113Y95 F96 G101 D102 I103Y95-C99 WeakPolarHBondContact CE1-SG 3.41Å; Y95-C99 PolarHBondContact O-N 2.82Å; Y95-C99 PolarHBondContact O-SG 3.12Å; F96-C99 PolarHBondContact O-N 3.13Å; C99-G101 PolarHBondContact O-N 3.06Å; C99-D102 PolarHBondContact O-N 3.01Å; C99-I103 HydrophobicContact CB-CG1 4.43Å
100D82.2Confident91.3Very high158 Ų15854 Ų5485%0.84528%0.284SS*.THydrogen-bonded Turntrans49.629.8-171.1-73.4-30000113.6F96 D102F96-D100 PolarHBondContact O-N 3.11Å; D100-D102 VanDerWaalsContact C-N 3.34Å
101G75.4Confident91.4Very high10 Ų1051.6 Ų51.610%0.10327%0.273CS..THydrogen-bonded Turntrans64.733.8-172.800000113.3F96 C99 A203F96-G101 PolarHBondContact O-N 2.9Å; C99-G101 PolarHBondContact O-N 3.06Å; G101-A203 WeakPolarHBondContact O-CA 3.27Å; G101-A203 WeakPolarHBondContact O-CB 3.45Å
102D86.5Confident91.6Very high93 Ų9350.5 Ų50.550%0.49727%0.267SS..  trans-131.187.2169.5-157-7.7000111.1C99 D100 K260C99-D102 PolarHBondContact O-N 3.01Å; D100-D102 VanDerWaalsContact C-N 3.34Å; D102-K260 IonicContact OD1-NZ 3.34Å; D102-K260 PolarHBondContact OD1-NZ 3.28Å; D102-K260 IonicContact OD2-NZ 3.05Å; D102-K260 PolarHBondContact OD2-NZ 3.47Å
103I91.7Very high91.8Very high4 Ų451.7 Ų51.72%0.02127%0.272CS..  trans-86128.7173-52.6-174.7000108.9Y95 F96 C99 Q105 T107 V108Y95-I103 HydrophobicContact CD1-CD1 3.73Å; Y95-I103 HydrophobicContact CD1-CG1 4.26Å; Y95-I103 HydrophobicContact CE1-CD1 3.78Å; Y95-I103 HydrophobicContact CE1-CG1 3.99Å; Y95-I103 HydrophobicContact CE1-CG2 4.27Å; F96-I103 HydrophobicContact CD1-CD1 3.51Å; F96-I103 HydrophobicContact CD1-CG1 4.33Å; F96-I103 HydrophobicContact CE1-CD1 3.47Å; F96-I103 VanDerWaalsContact CE1-CD1 3.47Å; C99-I103 HydrophobicContact CB-CG1 4.43Å; I103-Q105 PolarHBondContact O-NE2 3.39Å; I103-T107 HydrophobicContact CG2-CG2 3.68Å; I103-V108 HydrophobicContact CB-CG2 3.86Å; I103-V108 HydrophobicContact CG2-CG2 3.63Å
104D91.9Very high92.1Very high79 Ų7950 Ų5042%0.42227%0.265SS..  trans-60143.3172.778.288.3000111N106 T107 V108D104-N106 PolarHBondContact O-N 3.48Å; D104-N106 VanDerWaalsContact O-N 3.12Å; D104-N106 WeakPolarHBondContact OD1-CA 3.1Å; D104-N106 WeakPolarHBondContact OD1-CB 3.4Å; D104-N106 PolarHBondContact OD1-N 2.84Å; D104-T107 VanDerWaalsContact CG-OG1 3.27Å; D104-T107 PolarHBondContact O-N 3.46Å; D104-T107 VanDerWaalsContact O-N 3.13Å; D104-T107 PolarHBondContact OD1-N 3.34Å; D104-T107 PolarHBondContact OD1-OG1 2.92Å; D104-T107 WeakPolarHBondContact OD2-CB 3.31Å; D104-T107 PolarHBondContact OD2-OG1 2.94Å; D104-V108 WeakPolarHBondContact O-CG2 3.4Å; D104-V108 PolarHBondContact O-N 2.98Å
105Q93.5Very high92.4Very high48 Ų4845.1 Ų45.122%0.22424%0.244CC..Hα-helixtrans-68.4-17.1-171.2-63-60.5-65.400113.7I103 K109 K260I103-Q105 PolarHBondContact O-NE2 3.39Å; Q105-K109 WeakPolarHBondContact O-CB 3.47Å; Q105-K109 PolarHBondContact O-N 2.9Å; Q105-K109 VanDerWaalsContact O-N 3.11Å; Q105-K260 HydrophobicContact CG-CB 4.36Å; Q105-K260 WeakPolarHBondContact CG-O 3.26Å; Q105-K260 PolarHBondContact OE1-O 2.87Å
106N94.3Very high92.6Very high107 Ų10743 Ų4357%0.57224%0.236SC*.Hα-helixtrans-75.9-43.1173.6-70.4-28.7000110.4D104 K109 L110D104-N106 PolarHBondContact O-N 3.48Å; D104-N106 VanDerWaalsContact O-N 3.12Å; D104-N106 WeakPolarHBondContact OD1-CA 3.1Å; D104-N106 WeakPolarHBondContact OD1-CB 3.4Å; D104-N106 PolarHBondContact OD1-N 2.84Å; N106-K109 WeakPolarHBondContact O-CB 3.48Å; N106-K109 PolarHBondContact O-N 3.18Å; N106-L110 WeakPolarHBondContact O-CG 3.36Å; N106-L110 PolarHBondContact O-N 2.93Å
107T94.6Very high93Very high24 Ų2447.5 Ų47.515%0.14725%0.252CS..Hα-helixtrans-61.8-43.6172.5-63.80000111.3Y95 I103 D104 K109 L110 F111Y95-T107 HydrophobicContact CE1-CG2 4.46Å; I103-T107 HydrophobicContact CG2-CG2 3.68Å; D104-T107 VanDerWaalsContact CG-OG1 3.27Å; D104-T107 PolarHBondContact O-N 3.46Å; D104-T107 VanDerWaalsContact O-N 3.13Å; D104-T107 PolarHBondContact OD1-N 3.34Å; D104-T107 PolarHBondContact OD1-OG1 2.92Å; D104-T107 WeakPolarHBondContact OD2-CB 3.31Å; D104-T107 PolarHBondContact OD2-OG1 2.94Å; T107-K109 VanDerWaalsContact C-N 3.29Å; T107-K109 PolarHBondContact O-N 3.24Å; T107-L110 PolarHBondContact O-N 2.9Å; T107-F111 HydrophobicContact CG2-CD1 4.35Å; T107-F111 HydrophobicContact CG2-CD2 3.85Å; T107-F111 HydrophobicContact CG2-CE1 4.02Å; T107-F111 HydrophobicContact CG2-CE2 3.47Å; T107-F111 VanDerWaalsContact CG2-CE2 3.47Å; T107-F111 HydrophobicContact CG2-CG 4.27Å; T107-F111 HydrophobicContact CG2-CZ 3.56Å; T107-F111 WeakPolarHBondContact O-CB 3.48Å; T107-F111 WeakPolarHBondContact O-CG 3.4Å; T107-F111 PolarHBondContact O-N 3.43Å
108V96.1Very high93.5Very high0 Ų043 Ų430%023%0.228CC..Hα-helixtrans-55.1-46.6172.8176.10000111I103 D104 F111 M112 F197 M200 S201I103-V108 HydrophobicContact CB-CG2 3.86Å; I103-V108 HydrophobicContact CG2-CG2 3.63Å; D104-V108 WeakPolarHBondContact O-CG2 3.4Å; D104-V108 PolarHBondContact O-N 2.98Å; V108-F111 PolarHBondContact O-N 2.85Å; V108-M112 WeakPolarHBondContact O-CB 3.35Å; V108-M112 PolarHBondContact O-N 3.18Å; V108-F197 HydrophobicContact CG1-CD2 3.91Å; V108-F197 HydrophobicContact CG1-CE2 3.72Å; V108-M200 HydrophobicContact CG1-CB 3.97Å; V108-M200 HydrophobicContact CG2-CB 4.15Å; V108-S201 WeakPolarHBondContact CG1-OG 3.16Å
109K97.2Very high94Very high32 Ų3239.3 Ų39.314%0.13920%0.203CC..Hα-helixtrans-62.3-44.7178.6-169.2-167.3-73.5169.30111.5Q105 N106 T107 M112 F113 Y291 F292 S294 I295Q105-K109 WeakPolarHBondContact O-CB 3.47Å; Q105-K109 PolarHBondContact O-N 2.9Å; Q105-K109 VanDerWaalsContact O-N 3.11Å; N106-K109 WeakPolarHBondContact O-CB 3.48Å; N106-K109 PolarHBondContact O-N 3.18Å; T107-K109 VanDerWaalsContact C-N 3.29Å; T107-K109 PolarHBondContact O-N 3.24Å; K109-M112 PolarHBondContact O-N 3.2Å; K109-F113 WeakPolarHBondContact O-CB 3.37Å; K109-F113 PolarHBondContact O-N 2.93Å; K109-Y291 HydrophobicContact CB-CE1 4Å; K109-Y291 WeakPolarHBondContact CD-O 3.44Å; K109-Y291 VanDerWaalsContact CE-O 3.31Å; K109-Y291 WeakPolarHBondContact CE-O 3.44Å; K109-Y291 HydrophobicContact CG-CD1 4.1Å; K109-Y291 HydrophobicContact CG-CE1 3.57Å; K109-Y291 HydrophobicContact CG-CE2 4.49Å; K109-F292 HydrophobicContact CG-CD1 3.91Å; K109-F292 HydrophobicContact CG-CE1 4.07Å; K109-S294 PolarHBondContact NZ-OG 3.19Å; K109-I295 HydrophobicContact CB-CD1 4.28Å; K109-I295 HydrophobicContact CD-CD1 3.57Å; K109-I295 HydrophobicContact CD-CG1 3.87Å; K109-I295 HydrophobicContact CG-CD1 3.52Å; K109-I295 HydrophobicContact CG-CG1 4.38Å
110L97.1Very high94.5Very high83 Ų8340.4 Ų40.444%0.43520%0.204SC..Hα-helixtrans-63.7-45.9178.3-73.2168.1000111.9N106 T107 F113 Q114 I295N106-L110 WeakPolarHBondContact O-CG 3.36Å; N106-L110 PolarHBondContact O-N 2.93Å; T107-L110 PolarHBondContact O-N 2.9Å; L110-F113 PolarHBondContact O-N 3.45Å; L110-Q114 WeakPolarHBondContact O-CB 3.45Å; L110-Q114 VanDerWaalsContact O-CG 3.24Å; L110-Q114 WeakPolarHBondContact O-CG 3.29Å; L110-Q114 PolarHBondContact O-N 2.96Å; L110-Q114 PolarHBondContact O-NE2 2.97Å; L110-I295 HydrophobicContact CD2-CD1 3.91Å; L110-I295 HydrophobicContact CD2-CG1 4.38Å; L110-I295 HydrophobicContact CG-CD1 4.39Å
111F97.5Very high95.3Very high4 Ų434.9 Ų34.92%0.01817%0.173CC..Hα-helixtrans-63.9-43.2176.8-73.2-7.5000111.8L92 Y95 T107 V108 F113 Q114 L115 I139 L145 M200L92-F111 HydrophobicContact CD1-CD2 3.94Å; L92-F111 HydrophobicContact CD1-CE2 4.11Å; Y95-F111 HydrophobicContact CD1-CE2 4.03Å; Y95-F111 AromaticContact CE1-CE2 3.8Å; Y95-F111 HydrophobicContact CE1-CE2 3.8Å; Y95-F111 HydrophobicContact CE1-CZ 4.35Å; Y95-F111 HydrophobicContact CE2-CE2 4.47Å; Y95-F111 HydrophobicContact CE2-CZ 4.28Å; Y95-F111 HydrophobicContact CG-CE2 4.48Å; T107-F111 HydrophobicContact CG2-CD1 4.35Å; T107-F111 HydrophobicContact CG2-CD2 3.85Å; T107-F111 HydrophobicContact CG2-CE1 4.02Å; T107-F111 HydrophobicContact CG2-CE2 3.47Å; T107-F111 VanDerWaalsContact CG2-CE2 3.47Å; T107-F111 HydrophobicContact CG2-CG 4.27Å; T107-F111 HydrophobicContact CG2-CZ 3.56Å; T107-F111 WeakPolarHBondContact O-CB 3.48Å; T107-F111 WeakPolarHBondContact O-CG 3.4Å; T107-F111 PolarHBondContact O-N 3.43Å; V108-F111 PolarHBondContact O-N 2.85Å; F111-F113 VanDerWaalsContact C-N 3.34Å; F111-F113 PolarHBondContact O-N 2.78Å; F111-Q114 PolarHBondContact O-N 3.07Å; F111-L115 VanDerWaalsContact O-CB 3.31Å; F111-L115 WeakPolarHBondContact O-CB 3.45Å; F111-L115 PolarHBondContact O-N 2.8Å; F111-I139 HydrophobicContact CD2-CD1 4.42Å; F111-I139 HydrophobicContact CE1-CG2 4.34Å; F111-I139 HydrophobicContact CE2-CD1 3.66Å; F111-I139 HydrophobicContact CZ-CD1 3.72Å; F111-I139 HydrophobicContact CZ-CG1 4.25Å; F111-I139 HydrophobicContact CZ-CG2 4.05Å; F111-L145 HydrophobicContact CB-CD1 3.68Å; F111-L145 HydrophobicContact CD1-CB 4.15Å; F111-L145 HydrophobicContact CD1-CD1 4.26Å; F111-L145 HydrophobicContact CD2-CD1 4.48Å; F111-L145 HydrophobicContact CG-CD1 3.91Å; F111-M200 HydrophobicContact CB-CE 4.35Å; F111-M200 HydrophobicContact CB-SD 3.67Å; F111-M200 HydrophobicContact CD2-SD 4.13Å; F111-M200 HydrophobicContact CG-SD 4.44Å
112M98.2Very high96.3Very high0 Ų034.4 Ų34.40%017%0.168CC..Hα-helixtrans-63.1-41.7176.3-169.261.4-161.600111.9V108 K109 Q114 L115 L116 A193 F197 M200 L272 F292V108-M112 WeakPolarHBondContact O-CB 3.35Å; V108-M112 PolarHBondContact O-N 3.18Å; K109-M112 PolarHBondContact O-N 3.2Å; M112-Q114 PolarHBondContact O-N 3.43Å; M112-L115 HydrophobicContact CE-CD2 4.47Å; M112-L115 PolarHBondContact O-N 2.81Å; M112-L115 HydrophobicContact SD-CD2 4.04Å; M112-L116 HydrophobicContact CE-CD1 3.88Å; M112-L116 HydrophobicContact CE-CD2 3.73Å; M112-L116 HydrophobicContact CE-CG 3.66Å; M112-L116 HydrophobicContact CG-CD1 4.21Å; M112-L116 WeakPolarHBondContact O-CB 3.46Å; M112-L116 VanDerWaalsContact O-CG 3.29Å; M112-L116 WeakPolarHBondContact O-CG 3.07Å; M112-L116 PolarHBondContact O-N 2.86Å; M112-A193 HydrophobicContact CE-CB 3.96Å; M112-F197 HydrophobicContact CB-CD2 4.1Å; M112-F197 HydrophobicContact CB-CE2 4.29Å; M112-F197 HydrophobicContact CE-CB 4.28Å; M112-F197 HydrophobicContact CG-CB 4.48Å; M112-F197 HydrophobicContact CG-CD1 4.41Å; M112-F197 HydrophobicContact CG-CD2 3.95Å; M112-F197 HydrophobicContact CG-CE2 4.28Å; M112-F197 HydrophobicContact CG-CG 4.03Å; M112-F197 HydrophobicContact SD-CB 3.62Å; M112-F197 HydrophobicContact SD-CD1 4.45Å; M112-F197 HydrophobicContact SD-CD2 4.14Å; M112-F197 HydrophobicContact SD-CG 3.83Å; M112-M200 HydrophobicContact CB-CE 4.1Å; M112-M200 HydrophobicContact SD-CE 4.14Å; M112-L272 HydrophobicContact CE-CD1 3.57Å; M112-F292 HydrophobicContact CB-CE1 4.33Å; M112-F292 HydrophobicContact CB-CZ 4.25Å; M112-F292 HydrophobicContact CG-CE1 4.49Å; M112-F292 HydrophobicContact CG-CZ 3.93Å
113F98.6Very high96.8Very high26 Ų2630.6 Ų30.611%0.11415%0.147CC..Hα-helixtrans-60.7-46.3176.2-175.5-104.3000111.7K109 L110 F111 L116 R117 L287 F292 I295 L296K109-F113 WeakPolarHBondContact O-CB 3.37Å; K109-F113 PolarHBondContact O-N 2.93Å; L110-F113 PolarHBondContact O-N 3.45Å; F111-F113 VanDerWaalsContact C-N 3.34Å; F111-F113 PolarHBondContact O-N 2.78Å; F113-L116 PolarHBondContact O-N 3.27Å; F113-R117 HydrophobicContact CD1-CG 4.44Å; F113-R117 VanDerWaalsContact CE1-CD 3.45Å; F113-R117 HydrophobicContact CE1-CG 4.19Å; F113-R117 HydrophobicContact CZ-CG 4.39Å; F113-R117 WeakPolarHBondContact O-CG 3.46Å; F113-R117 PolarHBondContact O-N 2.81Å; F113-L287 HydrophobicContact CD2-CD2 3.71Å; F113-L287 HydrophobicContact CE2-CD2 3.68Å; F113-L287 HydrophobicContact CG-CD2 4.44Å; F113-L287 HydrophobicContact CZ-CD2 4.4Å; F113-F292 HydrophobicContact CB-CD1 3.92Å; F113-F292 HydrophobicContact CB-CE1 3.75Å; F113-F292 HydrophobicContact CB-CZ 4.42Å; F113-F292 HydrophobicContact CD2-CB 4.07Å; F113-F292 AromaticContact CD2-CD1 3.78Å; F113-F292 HydrophobicContact CD2-CD1 3.78Å; F113-F292 HydrophobicContact CD2-CD2 4.2Å; F113-F292 HydrophobicContact CD2-CE1 4.24Å; F113-F292 AromaticContact CD2-CG 3.76Å; F113-F292 HydrophobicContact CD2-CG 3.76Å; F113-F292 HydrophobicContact CE2-CB 4.36Å; F113-F292 HydrophobicContact CE2-CG 4.45Å; F113-F292 HydrophobicContact CG-CD1 4.3Å; F113-I295 HydrophobicContact CB-CD1 4.07Å; F113-I295 HydrophobicContact CD1-CG2 3.82Å; F113-I295 HydrophobicContact CD2-CG2 4.29Å; F113-I295 HydrophobicContact CE1-CG2 3.81Å; F113-I295 HydrophobicContact CE2-CG2 4.3Å; F113-I295 HydrophobicContact CG-CD1 4.36Å; F113-I295 HydrophobicContact CG-CG2 4.05Å; F113-I295 HydrophobicContact CZ-CG2 4.06Å; F113-L296 HydrophobicContact CE2-CD2 3.88Å; F113-L296 HydrophobicContact CE2-CG 4.45Å; F113-L296 HydrophobicContact CZ-CD2 3.81Å
114Q98.6Very high97Very high27 Ų2734 Ų3413%0.12617%0.172CC..Hα-helixtrans-65.3-41.3178.5-73.9-174.484.200112.8N67 L110 F111 M112 R117 G118 G143 L145N67-Q114 VanDerWaalsContact CB-O 3.28Å; N67-Q114 WeakPolarHBondContact CB-O 3.29Å; N67-Q114 WeakPolarHBondContact ND2-CB 3.27Å; N67-Q114 WeakPolarHBondContact ND2-CG 3.48Å; N67-Q114 PolarHBondContact ND2-OE1 3.34Å; N67-Q114 VanDerWaalsContact ND2-OE1 3.14Å; L110-Q114 WeakPolarHBondContact O-CB 3.45Å; L110-Q114 VanDerWaalsContact O-CG 3.24Å; L110-Q114 WeakPolarHBondContact O-CG 3.29Å; L110-Q114 PolarHBondContact O-N 2.96Å; L110-Q114 PolarHBondContact O-NE2 2.97Å; F111-Q114 PolarHBondContact O-N 3.07Å; M112-Q114 PolarHBondContact O-N 3.43Å; Q114-R117 PolarHBondContact O-N 3.32Å; Q114-G118 PolarHBondContact O-N 2.91Å; Q114-G143 PolarHBondContact NE2-O 2.97Å; Q114-L145 HydrophobicContact CB-CB 3.95Å
115L98.7Very high97.1Very high0 Ų034.5 Ų34.50%017%0.171CC..Hα-helixtrans-57.3-51172.7171.255.6000110.7F111 M112 R117 G118 L119 L132 L137 L145 L147 A193 I196F111-L115 VanDerWaalsContact O-CB 3.31Å; F111-L115 WeakPolarHBondContact O-CB 3.45Å; F111-L115 PolarHBondContact O-N 2.8Å; M112-L115 HydrophobicContact CE-CD2 4.47Å; M112-L115 PolarHBondContact O-N 2.81Å; M112-L115 HydrophobicContact SD-CD2 4.04Å; L115-R117 VanDerWaalsContact C-N 3.33Å; L115-R117 PolarHBondContact O-N 2.95Å; L115-G118 PolarHBondContact O-N 2.97Å; L115-L119 HydrophobicContact CD1-CD1 4.02Å; L115-L119 HydrophobicContact CD1-CG 4.14Å; L115-L119 HydrophobicContact CG-CD1 4.3Å; L115-L119 WeakPolarHBondContact O-CG 3.31Å; L115-L119 PolarHBondContact O-N 2.87Å; L115-L132 HydrophobicContact CD1-CD2 4.29Å; L115-L137 HydrophobicContact CD1-CD1 4.38Å; L115-L137 HydrophobicContact CD1-CD2 3.9Å; L115-L137 HydrophobicContact CD2-CD1 4.21Å; L115-L145 HydrophobicContact CB-CD2 4.1Å; L115-L147 HydrophobicContact CD1-CD2 3.45Å; L115-L147 VanDerWaalsContact CD1-CD2 3.45Å; L115-A193 HydrophobicContact CD2-CB 3.93Å; L115-A193 HydrophobicContact CG-CB 4.4Å; L115-I196 HydrophobicContact CD2-CG2 4.41Å
116L98.8Very high97Very high0 Ų035.9 Ų35.90%018%0.18CC..Hα-helixtrans-63.3-36.9179.5-70.9171.1000112.8M112 F113 L119 Q120 M190 A286 L287 F292M112-L116 HydrophobicContact CE-CD1 3.88Å; M112-L116 HydrophobicContact CE-CD2 3.73Å; M112-L116 HydrophobicContact CE-CG 3.66Å; M112-L116 HydrophobicContact CG-CD1 4.21Å; M112-L116 WeakPolarHBondContact O-CB 3.46Å; M112-L116 VanDerWaalsContact O-CG 3.29Å; M112-L116 WeakPolarHBondContact O-CG 3.07Å; M112-L116 PolarHBondContact O-N 2.86Å; F113-L116 PolarHBondContact O-N 3.27Å; L116-L119 PolarHBondContact O-N 3.38Å; L116-Q120 WeakPolarHBondContact O-CB 3.32Å; L116-Q120 PolarHBondContact O-N 2.98Å; L116-M190 HydrophobicContact CD2-CE 3.59Å; L116-A286 HydrophobicContact CD1-CB 3.73Å; L116-A286 HydrophobicContact CD2-CB 3.87Å; L116-A286 HydrophobicContact CG-CB 4.42Å; L116-L287 HydrophobicContact CB-CD2 3.64Å; L116-L287 HydrophobicContact CB-CG 3.87Å; L116-F292 HydrophobicContact CD1-CE2 3.46Å; L116-F292 VanDerWaalsContact CD1-CE2 3.46Å; L116-F292 HydrophobicContact CD1-CZ 3.58Å
117R98.5Very high96.9Very high96 Ų9631.1 Ų31.136%0.36216%0.155SC..Hα-helixtrans-63.4-41.9173.5-75.4-172.964.1-179.72.3112.3F113 Q114 L115 F121 L287F113-R117 HydrophobicContact CD1-CG 4.44Å; F113-R117 VanDerWaalsContact CE1-CD 3.45Å; F113-R117 HydrophobicContact CE1-CG 4.19Å; F113-R117 HydrophobicContact CZ-CG 4.39Å; F113-R117 WeakPolarHBondContact O-CG 3.46Å; F113-R117 PolarHBondContact O-N 2.81Å; Q114-R117 PolarHBondContact O-N 3.32Å; L115-R117 VanDerWaalsContact C-N 3.33Å; L115-R117 PolarHBondContact O-N 2.95Å; R117-F121 PolarHBondContact O-N 3.39Å; R117-L287 HydrophobicContact CG-CD1 4.2Å; R117-L287 HydrophobicContact CG-CD2 3.76Å
118G98.5Very high96.8Very high0 Ų030 Ų300%015%0.148CC..Hα-helixtrans-59.7-46.4173.400000111.7Q114 L115 F121 C122 L147Q114-G118 PolarHBondContact O-N 2.91Å; L115-G118 PolarHBondContact O-N 2.97Å; G118-F121 PolarHBondContact O-N 2.81Å; G118-C122 PolarHBondContact O-N 2.88Å; G118-C122 PolarHBondContact O-SG 3.28Å; G118-C122 VanDerWaalsContact O-SG 3.36Å; G118-L147 VanDerWaalsContact C-CD1 3.47Å
119L98.5Very high96.7Very high0 Ų030 Ų300%015%0.148CC..Hα-helixtrans-68.1-43179.9-66.9178.8000113.2L115 L116 F121 C122 H123 L132 L147 D189 M190 A193 A283L115-L119 HydrophobicContact CD1-CD1 4.02Å; L115-L119 HydrophobicContact CD1-CG 4.14Å; L115-L119 HydrophobicContact CG-CD1 4.3Å; L115-L119 WeakPolarHBondContact O-CG 3.31Å; L115-L119 PolarHBondContact O-N 2.87Å; L116-L119 PolarHBondContact O-N 3.38Å; L119-F121 PolarHBondContact O-N 3.18Å; L119-C122 PolarHBondContact O-N 3.47Å; L119-H123 VanDerWaalsContact O-CB 3.3Å; L119-H123 WeakPolarHBondContact O-CB 3.32Å; L119-H123 PolarHBondContact O-CD2 3.28Å; L119-H123 PolarHBondContact O-N 3.21Å; L119-L132 HydrophobicContact CD1-CD1 3.78Å; L119-L132 HydrophobicContact CD2-CD1 3.73Å; L119-L132 HydrophobicContact CD2-CD2 4.26Å; L119-L132 HydrophobicContact CD2-CG 4.47Å; L119-L132 HydrophobicContact CG-CD1 4.35Å; L119-L147 HydrophobicContact CD2-CD1 3.79Å; L119-L147 HydrophobicContact CD2-CD2 4.48Å; L119-L147 HydrophobicContact CG-CD1 4.26Å; L119-D189 HydrophobicContact CD1-CB 4.41Å; L119-D189 HydrophobicContact CD2-CB 4.15Å; L119-M190 HydrophobicContact CD1-SD 4.43Å; L119-A193 HydrophobicContact CD1-CB 3.91Å; L119-A283 HydrophobicContact CB-CB 4.31Å
120Q98.4Very high96.4Very high57 Ų5728.8 Ų28.827%0.26614%0.142SC..Hα-helixtrans-53.6-45.8174.2-174.5-167.434.400110.6L116 H123 S124 A283 D284 L287L116-Q120 WeakPolarHBondContact O-CB 3.32Å; L116-Q120 PolarHBondContact O-N 2.98Å; Q120-H123 PolarHBondContact O-N 3.37Å; Q120-S124 WeakPolarHBondContact O-CB 3.46Å; Q120-S124 PolarHBondContact O-N 2.89Å; Q120-S124 PolarHBondContact O-OG 3.11Å; Q120-A283 HydrophobicContact CB-CB 3.88Å; Q120-D284 VanDerWaalsContact NE2-CG 3.34Å; Q120-D284 PolarHBondContact NE2-OD1 2.9Å; Q120-L287 HydrophobicContact CB-CD1 3.84Å; Q120-L287 VanDerWaalsContact CD-CD1 3.46Å; Q120-L287 HydrophobicContact CG-CD1 4.13Å
121F98.2Very high96.1Very high43 Ų4325.3 Ų25.319%0.18912%0.124CC..Hα-helixtrans-65.5-45.4178.5-173.6-87.7000112.3L63 H65 I68 R117 G118 L119 H123 S124 H125L63-F121 HydrophobicContact CB-CE1 4.47Å; L63-F121 HydrophobicContact CD2-CD1 4.09Å; L63-F121 HydrophobicContact CD2-CE1 3.88Å; H65-F121 HydrophobicContact CB-CB 4.32Å; H65-F121 HydrophobicContact CB-CD1 3.73Å; H65-F121 HydrophobicContact CB-CD2 4.06Å; H65-F121 HydrophobicContact CB-CE1 3.99Å; H65-F121 HydrophobicContact CB-CE2 4.29Å; H65-F121 HydrophobicContact CB-CG 3.76Å; H65-F121 HydrophobicContact CB-CZ 4.26Å; H65-F121 AromaticContact CD2-CD2 3.72Å; H65-F121 AromaticContact CD2-CG 3.93Å; H65-F121 AromaticContact CG-CG 3.85Å; I68-F121 HydrophobicContact CD1-CD1 3.63Å; I68-F121 HydrophobicContact CD1-CE1 4.3Å; I68-F121 HydrophobicContact CD1-CG 4.49Å; R117-F121 PolarHBondContact O-N 3.39Å; G118-F121 PolarHBondContact O-N 2.81Å; L119-F121 PolarHBondContact O-N 3.18Å; F121-H123 VanDerWaalsContact C-N 3.33Å; F121-H123 PolarHBondContact O-N 2.95Å; F121-S124 PolarHBondContact O-N 3.44Å; F121-S124 PolarHBondContact O-OG 2.83Å; F121-H125 AromaticContact CD1-ND1 3.8Å; F121-H125 AromaticContact CD2-CE1 3.75Å; F121-H125 AromaticContact CE1-CE1 3.65Å; F121-H125 AromaticContact CE1-ND1 3.63Å; F121-H125 AromaticContact CE2-CE1 3.26Å; F121-H125 WeakPolarHBondContact CE2-CE1 3.34Å; F121-H125 AromaticContact CE2-ND1 3.9Å; F121-H125 AromaticContact CZ-CE1 3.2Å; F121-H125 WeakPolarHBondContact CZ-CE1 3.29Å; F121-H125 AromaticContact CZ-ND1 3.7Å; F121-H125 AromaticContact CZ-NE2 3.68Å; F121-H125 PolarHBondContact O-N 3.31Å; F121-H125 PolarHBondContact O-ND1 3.07Å
122C96.9Very high96Very high0 Ų025.1 Ų25.10%012%0.123CC..Hα-helixtrans-57.4-48.6174.5-70.80000111.2I68 G118 L119 S124 H125 N126 V127I68-C122 WeakPolarHBondContact CD1-SG 3.5Å; G118-C122 PolarHBondContact O-N 2.88Å; G118-C122 PolarHBondContact O-SG 3.28Å; G118-C122 VanDerWaalsContact O-SG 3.36Å; L119-C122 PolarHBondContact O-N 3.47Å; C122-S124 PolarHBondContact O-N 3.32Å; C122-H125 CarbonylContact O-C 3.48Å; C122-H125 PolarHBondContact O-N 2.95Å; C122-H125 VanDerWaalsContact O-N 3.11Å; C122-N126 PolarHBondContact O-N 2.77Å; C122-V127 CarbonylContact C-O 3.59Å; C122-V127 HydrophobicContact CB-CB 4.34Å; C122-V127 PolarHBondContact O-N 2.83Å
123H96.4Very high95.8Very high12 Ų1226.9 Ų26.96%0.05613%0.131CC..Hα-helixtrans-63.9-42.6-177.8-65.2175.3000111.3L119 Q120 F121 H125 N126 V127 Y156 T186 D189L119-H123 VanDerWaalsContact O-CB 3.3Å; L119-H123 WeakPolarHBondContact O-CB 3.32Å; L119-H123 PolarHBondContact O-CD2 3.28Å; L119-H123 PolarHBondContact O-N 3.21Å; Q120-H123 PolarHBondContact O-N 3.37Å; F121-H123 VanDerWaalsContact C-N 3.33Å; F121-H123 PolarHBondContact O-N 2.95Å; H123-H125 PolarHBondContact O-N 3.5Å; H123-N126 PolarHBondContact O-N 2.84Å; H123-V127 PolarHBondContact CD2-O 3.29Å; H123-Y156 PolarHBondContact O-OH 3.31Å; H123-T186 HydrophobicContact CB-CG2 3.74Å; H123-T186 VanDerWaalsContact CG-CG2 3.41Å; H123-T186 WeakPolarHBondContact ND1-CB 3.33Å; H123-D189 IonicContact CD2-OD2 3.93Å; H123-D189 IonicContact CE1-OD2 2.77Å; H123-D189 IonicContact NE2-OD2 2.83Å; H123-D189 PolarHBondContact NE2-OD2 2.89Å
124S96Very high95.7Very high76 Ų7625.6 Ų25.653%0.53113%0.125SC..Hα-helixtrans-65.2-22.8175.977.30000113.5Q120 F121 C122 N126Q120-S124 WeakPolarHBondContact O-CB 3.46Å; Q120-S124 PolarHBondContact O-N 2.89Å; Q120-S124 PolarHBondContact O-OG 3.11Å; F121-S124 PolarHBondContact O-N 3.44Å; F121-S124 PolarHBondContact O-OG 2.83Å; C122-S124 PolarHBondContact O-N 3.32Å; S124-N126 VanDerWaalsContact C-N 3.29Å
125H94.5Very high95.4Very high89 Ų8928.3 Ų28.341%0.41214%0.138SC..THydrogen-bonded Turntrans-94.115.6174.1-69.177.1000112.8L63 F121 C122 H123 V127L63-H125 HydrophobicContact CD2-CB 4Å; F121-H125 AromaticContact CD1-ND1 3.8Å; F121-H125 AromaticContact CD2-CE1 3.75Å; F121-H125 AromaticContact CE1-CE1 3.65Å; F121-H125 AromaticContact CE1-ND1 3.63Å; F121-H125 AromaticContact CE2-CE1 3.26Å; F121-H125 WeakPolarHBondContact CE2-CE1 3.34Å; F121-H125 AromaticContact CE2-ND1 3.9Å; F121-H125 AromaticContact CZ-CE1 3.2Å; F121-H125 WeakPolarHBondContact CZ-CE1 3.29Å; F121-H125 AromaticContact CZ-ND1 3.7Å; F121-H125 AromaticContact CZ-NE2 3.68Å; F121-H125 PolarHBondContact O-N 3.31Å; F121-H125 PolarHBondContact O-ND1 3.07Å; C122-H125 CarbonylContact O-C 3.48Å; C122-H125 PolarHBondContact O-N 2.95Å; C122-H125 VanDerWaalsContact O-N 3.11Å; H123-H125 PolarHBondContact O-N 3.5Å; H125-V127 VanDerWaalsContact C-N 3.3Å; H125-V127 HydrophobicContact CB-CG2 4.48Å; H125-V127 PolarHBondContact O-N 2.85Å
126N92.2Very high95.2Very high78 Ų7828.9 Ų28.942%0.41714%0.141SC..THydrogen-bonded Turntrans5835.5-177.6-56.1-70000114C122 H123 S124 A155 Y156C122-N126 PolarHBondContact O-N 2.77Å; H123-N126 PolarHBondContact O-N 2.84Å; S124-N126 VanDerWaalsContact C-N 3.29Å; N126-A155 CarbonylContact O-C 3.55Å; N126-A155 WeakPolarHBondContact O-CA 3.47Å; N126-Y156 HydrophobicContact CB-CD1 4.13Å; N126-Y156 HydrophobicContact CB-CD2 4.49Å; N126-Y156 HydrophobicContact CB-CE1 4.08Å; N126-Y156 HydrophobicContact CB-CE2 4.38Å; N126-Y156 HydrophobicContact CB-CG 4.35Å; N126-Y156 WeakPolarHBondContact CB-O 3.42Å; N126-Y156 WeakPolarHBondContact O-CD1 3.3Å; N126-Y156 PolarHBondContact O-N 2.97Å; N126-Y156 WeakPolarHBondContact OD1-CE2 3.44Å
127V92.4Very high95.1Very high6 Ų628.9 Ų28.94%0.03614%0.141CC..EExtended strand (participates in β ladder)trans-112.8126.8178.5-177.90000110.9L59 L63 C122 H123 H125 F150 A153L59-V127 HydrophobicContact CD1-CG1 4.34Å; L59-V127 HydrophobicContact CD2-CG1 4.35Å; L59-V127 HydrophobicContact CD2-CG2 3.88Å; L63-V127 HydrophobicContact CD1-CB 4.47Å; L63-V127 HydrophobicContact CD1-CG1 4.16Å; L63-V127 HydrophobicContact CD1-CG2 4.3Å; L63-V127 HydrophobicContact CD2-CG2 4.14Å; C122-V127 CarbonylContact C-O 3.59Å; C122-V127 HydrophobicContact CB-CB 4.34Å; C122-V127 PolarHBondContact O-N 2.83Å; H123-V127 PolarHBondContact CD2-O 3.29Å; H125-V127 VanDerWaalsContact C-N 3.3Å; H125-V127 HydrophobicContact CB-CG2 4.48Å; H125-V127 PolarHBondContact O-N 2.85Å; V127-F150 HydrophobicContact CG1-CD1 4.42Å; V127-F150 HydrophobicContact CG1-CE1 4.46Å; V127-A153 HydrophobicContact CG1-CB 4.18Å
128L92.6Very high95Very high0 Ų026.2 Ų26.20%013%0.134CC..EExtended strand (participates in β ladder)trans-95.8134.9167.5-54.6-178.7000109.7R130 A153 R154 Y156 Y184 T186L128-R130 HydrophobicContact CB-CG 3.66Å; L128-A153 CarbonylContact O-C 3.47Å; L128-A153 WeakPolarHBondContact O-CA 3.49Å; L128-A153 VanDerWaalsContact O-CB 3.28Å; L128-A153 WeakPolarHBondContact O-CB 3.5Å; L128-R154 PolarHBondContact N-O 2.77Å; L128-R154 PolarHBondContact O-N 3.42Å; L128-Y156 HydrophobicContact CD2-CD1 3.6Å; L128-Y156 HydrophobicContact CD2-CE1 3.96Å; L128-Y156 HydrophobicContact CD2-CG 4.35Å; L128-Y156 HydrophobicContact CG-CD1 3.73Å; L128-Y156 HydrophobicContact CG-CG 4.29Å; L128-Y184 HydrophobicContact CD1-CD2 4.12Å; L128-Y184 HydrophobicContact CD1-CE2 4.44Å; L128-T186 HydrophobicContact CD2-CG2 3.76Å
129H92.9Very high95Very high0 Ų026.3 Ų26.30%013%0.134CC..  trans-79.1-50.1178.6-170.7-50.7000112.1D131 L132 A148 D149 F150 L152 A153 D189H129-D131 PolarHBondContact ND1-N 3.32Å; H129-D131 PolarHBondContact O-N 2.89Å; H129-D131 VanDerWaalsContact O-N 3.15Å; H129-L132 HydrophobicContact CB-CD2 4.43Å; H129-L132 HydrophobicContact CB-CG 4.23Å; H129-A148 PolarHBondContact CE1-O 3.49Å; H129-A148 VanDerWaalsContact CE1-O 3.31Å; H129-A148 PolarHBondContact NE2-O 3.27Å; H129-D149 PolarHBondContact CE1-O 3.08Å; H129-F150 AromaticContact CD2-CZ 4Å; H129-L152 CarbonylContact O-C 3.59Å; H129-A153 WeakPolarHBondContact O-CA 3.33Å; H129-D189 PolarHBondContact N-OD1 3.02Å; H129-D189 PolarHBondContact N-OD2 2.89Å
130R91.3Very high94.8Very high8 Ų827.1 Ų27.13%0.0314%0.139CC..  trans62.314.1173.7-45-172.7-63158.63.1117.1L128 L152 V167 V168 Y184 I188 D189L128-R130 HydrophobicContact CB-CG 3.66Å; R130-L152 PolarHBondContact NE-O 2.84Å; R130-L152 PolarHBondContact NH2-O 3.15Å; R130-V167 HydrophobicContact CB-CB 4.48Å; R130-V168 WeakPolarHBondContact O-CA 3.38Å; R130-V168 WeakPolarHBondContact O-CG2 3.39Å; R130-V168 PolarHBondContact O-N 3.01Å; R130-Y184 PolarHBondContact NH1-OH 3.35Å; R130-I188 HydrophobicContact CG-CG2 4.4Å; R130-D189 PolarHBondContact N-OD1 2.93Å
131D90.5Very high94.5Very high9 Ų930.7 Ų30.75%0.04816%0.16CC..  trans-153.245170.6-163.835.8000110.7H129 K133 N136 L152 T169H129-D131 PolarHBondContact ND1-N 3.32Å; H129-D131 PolarHBondContact O-N 2.89Å; H129-D131 VanDerWaalsContact O-N 3.15Å; D131-K133 PolarHBondContact O-N 3.35Å; D131-K133 IonicContact OD1-NZ 2.71Å; D131-K133 PolarHBondContact OD1-NZ 3.03Å; D131-K133 VanDerWaalsContact OD2-CE 3.29Å; D131-K133 WeakPolarHBondContact OD2-CE 3.45Å; D131-K133 IonicContact OD2-NZ 3.78Å; D131-K133 PolarHBondContact OD2-NZ 3.49Å; D131-N136 PolarHBondContact O-ND2 3.49Å; D131-N136 PolarHBondContact OD2-ND2 3.05Å; D131-N136 VanDerWaalsContact OD2-ND2 3.14Å; D131-L152 HydrophobicContact CB-CB 4.21Å; D131-L152 HydrophobicContact CB-CD1 3.81Å; D131-T169 PolarHBondContact OD1-N 3.4Å; D131-T169 PolarHBondContact OD1-OG1 3.3Å
132L95.8Very high94.3Very high0 Ų035.2 Ų35.20%019%0.186CC..  trans-70.1125172.7-72.3172.6000109.5L115 L119 H129 L137 L147 Y172 D189 I196L115-L132 HydrophobicContact CD1-CD2 4.29Å; L119-L132 HydrophobicContact CD1-CD1 3.78Å; L119-L132 HydrophobicContact CD2-CD1 3.73Å; L119-L132 HydrophobicContact CD2-CD2 4.26Å; L119-L132 HydrophobicContact CD2-CG 4.47Å; L119-L132 HydrophobicContact CG-CD1 4.35Å; H129-L132 HydrophobicContact CB-CD2 4.43Å; H129-L132 HydrophobicContact CB-CG 4.23Å; L132-L137 HydrophobicContact CD2-CD2 4.15Å; L132-L147 HydrophobicContact CD2-CD2 3.61Å; L132-Y172 WeakPolarHBondContact O-CB 3.32Å; L132-D189 HydrophobicContact CD1-CB 3.78Å; L132-D189 WeakPolarHBondContact CD1-O 3.44Å; L132-I196 HydrophobicContact CB-CD1 4.08Å
133K94.3Very high94.1Very high37 Ų3736.7 Ų36.716%0.16120%0.201CC..  trans-160.3159.9174.258.8-172.5166.5-1510108.4D131 Q135 N136 L137 T169 Y172D131-K133 PolarHBondContact O-N 3.35Å; D131-K133 IonicContact OD1-NZ 2.71Å; D131-K133 PolarHBondContact OD1-NZ 3.03Å; D131-K133 VanDerWaalsContact OD2-CE 3.29Å; D131-K133 WeakPolarHBondContact OD2-CE 3.45Å; D131-K133 IonicContact OD2-NZ 3.78Å; D131-K133 PolarHBondContact OD2-NZ 3.49Å; K133-Q135 HydrophobicContact CG-CB 4.32Å; K133-Q135 PolarHBondContact O-N 2.64Å; K133-Q135 VanDerWaalsContact O-N 3.09Å; K133-N136 VanDerWaalsContact CE-ND2 3.35Å; K133-N136 WeakPolarHBondContact CE-ND2 3.45Å; K133-N136 HydrophobicContact CG-CB 4.13Å; K133-N136 PolarHBondContact O-N 2.81Å; K133-L137 PolarHBondContact O-N 3.11Å; K133-T169 WeakPolarHBondContact CD-OG1 3.48Å; K133-T169 PolarHBondContact NZ-OG1 3.38Å; K133-T169 VanDerWaalsContact NZ-OG1 3.08Å; K133-Y172 HydrophobicContact CB-CD2 3.76Å; K133-Y172 HydrophobicContact CB-CE2 3.57Å; K133-Y172 HydrophobicContact CB-CG 4.39Å
134P95Very high94.2Very high0 Ų039.2 Ų39.20%021%0.213CC..G310 helixtrans-53.4-33-178.9-28.436.4000114.2L92 K93 F96 N136 L137 Y172L92-P134 HydrophobicContact CB-CB 4.13Å; L92-P134 WeakPolarHBondContact CB-O 3.17Å; L92-P134 HydrophobicContact CD2-CB 4.25Å; L92-P134 HydrophobicContact CG-CB 4.23Å; L92-P134 PolarHBondContact N-O 3Å; K93-P134 HydrophobicContact CB-CB 3.96Å; K93-P134 PolarHBondContact N-O 3.48Å; F96-P134 HydrophobicContact CD2-CB 4.44Å; F96-P134 HydrophobicContact CE2-CB 3.78Å; F96-P134 HydrophobicContact CE2-CG 3.74Å; F96-P134 HydrophobicContact CZ-CG 4.47Å; P134-N136 PolarHBondContact O-N 3.19Å; P134-L137 PolarHBondContact O-N 2.71Å; P134-Y172 WeakPolarHBondContact CD-OH 3.5Å; P134-Y172 HydrophobicContact CG-CE1 4.35Å; P134-Y172 WeakPolarHBondContact CG-OH 3.44Å
135Q92.6Very high94.3Very high84 Ų8435.6 Ų35.639%0.39319%0.188SC..G310 helixtrans-66.9-22.4177.2-59.983.7-4.400113.7K93 K133K93-Q135 HydrophobicContact CB-CG 4.05Å; K93-Q135 HydrophobicContact CG-CG 4.46Å; K133-Q135 HydrophobicContact CG-CB 4.32Å; K133-Q135 PolarHBondContact O-N 2.64Å; K133-Q135 VanDerWaalsContact O-N 3.09Å
136N94.6Very high94.5Very high12 Ų1231.9 Ų31.96%0.06417%0.17CC..G310 helixtrans-99.86.5-179.9-71.4-0.9000112.4D131 K133 P134 A148D131-N136 PolarHBondContact O-ND2 3.49Å; D131-N136 PolarHBondContact OD2-ND2 3.05Å; D131-N136 VanDerWaalsContact OD2-ND2 3.14Å; K133-N136 VanDerWaalsContact CE-ND2 3.35Å; K133-N136 WeakPolarHBondContact CE-ND2 3.45Å; K133-N136 HydrophobicContact CG-CB 4.13Å; K133-N136 PolarHBondContact O-N 2.81Å; P134-N136 PolarHBondContact O-N 3.19Å; N136-A148 PolarHBondContact O-N 3.38Å
137L97.1Very high94.8Very high0 Ų028.1 Ų28.10%015%0.15CC..EExtended strand (participates in β ladder)trans-109.2108.9173.5-59.2-174.8000108.1D91 L92 L115 L132 K133 P134 L145 L147 I196D91-L137 CarbonylContact C-O 3.54Å; D91-L137 VanDerWaalsContact CA-O 3.32Å; D91-L137 WeakPolarHBondContact CA-O 3.21Å; L92-L137 HydrophobicContact CB-CB 3.92Å; L92-L137 HydrophobicContact CD2-CB 4.32Å; L92-L137 HydrophobicContact CD2-CD1 3.7Å; L92-L137 PolarHBondContact N-O 2.95Å; L115-L137 HydrophobicContact CD1-CD1 4.38Å; L115-L137 HydrophobicContact CD1-CD2 3.9Å; L115-L137 HydrophobicContact CD2-CD1 4.21Å; L132-L137 HydrophobicContact CD2-CD2 4.15Å; K133-L137 PolarHBondContact O-N 3.11Å; P134-L137 PolarHBondContact O-N 2.71Å; L137-L145 HydrophobicContact CB-CD1 4.46Å; L137-L145 HydrophobicContact CB-CD2 4.5Å; L137-L145 HydrophobicContact CB-CG 4.47Å; L137-L145 HydrophobicContact CD1-CD1 4.44Å; L137-L145 HydrophobicContact CD2-CD2 4.25Å; L137-L147 HydrophobicContact CD2-CD2 3.42Å; L137-L147 VanDerWaalsContact CD2-CD2 3.42Å; L137-I196 HydrophobicContact CD1-CD1 3.89Å; L137-I196 HydrophobicContact CD1-CG2 3.79Å
138L97.4Very high94.8Very high39 Ų3928.3 Ų28.320%0.20415%0.152CC..EExtended strand (participates in β ladder)trans-92.5147-178.3-56-177.2000110.7V69 C88 D91 L145 K146 A148V69-L138 HydrophobicContact CG2-CD1 4.25Å; C88-L138 HydrophobicContact CB-CB 3.63Å; C88-L138 HydrophobicContact CB-CD1 4.16Å; C88-L138 HydrophobicContact CB-CG 4.43Å; D91-L138 HydrophobicContact CB-CD2 3.99Å; L138-L145 CarbonylContact O-C 3.41Å; L138-L145 WeakPolarHBondContact O-CA 3.39Å; L138-K146 PolarHBondContact N-O 3.16Å; L138-K146 PolarHBondContact O-N 3.43Å; L138-A148 HydrophobicContact CD1-CB 3.59Å; L138-A148 HydrophobicContact CG-CB 3.68Å
139I97.1Very high94.5Very high2 Ų230 Ų301%0.0116%0.161CC..EExtended strand (participates in β ladder)trans-128.3129.9179.5-56.5166.3000108D89 Q90 L92 Y95 F111 E144D89-I139 PolarHBondContact N-O 3.39Å; D89-I139 VanDerWaalsContact N-O 3.16Å; Q90-I139 HydrophobicContact CG-CB 4.28Å; Q90-I139 PolarHBondContact N-O 3.5Å; Q90-I139 PolarHBondContact O-N 3.23Å; L92-I139 HydrophobicContact CB-CD1 4.18Å; L92-I139 HydrophobicContact CD1-CD1 3.77Å; Y95-I139 HydrophobicContact CD1-CD1 4.38Å; Y95-I139 HydrophobicContact CD2-CD1 3.79Å; Y95-I139 HydrophobicContact CG-CD1 3.69Å; F111-I139 HydrophobicContact CD2-CD1 4.42Å; F111-I139 HydrophobicContact CE1-CG2 4.34Å; F111-I139 HydrophobicContact CE2-CD1 3.66Å; F111-I139 HydrophobicContact CZ-CD1 3.72Å; F111-I139 HydrophobicContact CZ-CG1 4.25Å; F111-I139 HydrophobicContact CZ-CG2 4.05Å; I139-E144 WeakPolarHBondContact CA-O 3.47Å
140N94.5Very high94Very high18 Ų1830 Ų3010%0.09616%0.161CC..  trans-96.2168.7171.370.613.8000112D89 N142 G143 E144D89-N140 VanDerWaalsContact OD2-CA 3.24Å; D89-N140 WeakPolarHBondContact OD2-CA 3.34Å; N140-N142 PolarHBondContact O-N 3.19Å; N140-N142 WeakPolarHBondContact OD1-CB 3.24Å; N140-N142 PolarHBondContact OD1-N 3.48Å; N140-N142 VanDerWaalsContact OD1-N 3.14Å; N140-G143 PolarHBondContact O-N 3.3Å; N140-G143 PolarHBondContact OD1-N 3.21Å; N140-E144 PolarHBondContact N-O 3.42Å; N140-E144 PolarHBondContact ND2-OE2 2.95Å; N140-E144 VanDerWaalsContact OD1-CB 3.31Å; N140-E144 WeakPolarHBondContact OD1-CB 3.45Å; N140-E144 PolarHBondContact OD1-N 3.45Å
141D92.2Very high93Very high132 Ų13229.7 Ų29.771%0.70616%0.161SC*.THydrogen-bonded Turntrans-57.4-18.5179.3-74.7-14.8000114.5D89 G143D89-D141 WeakPolarHBondContact CB-OD1 3.49Å; D89-D141 PolarHBondContact OD2-N 3.33Å; D141-G143 VanDerWaalsContact C-N 3.28Å
142N94.1Very high92Very high137 Ų13732 Ų3273%0.73317%0.173SC*.THydrogen-bonded Turntrans-84.50.5175.4-62.3-44.2000113.3N140 E144N140-N142 PolarHBondContact O-N 3.19Å; N140-N142 WeakPolarHBondContact OD1-CB 3.24Å; N140-N142 PolarHBondContact OD1-N 3.48Å; N140-N142 VanDerWaalsContact OD1-N 3.14Å; N142-E144 VanDerWaalsContact C-N 3.33Å; N142-E144 HydrophobicContact CB-CG 4.16Å
143G93.8Very high90.4Very high32 Ų3232 Ų3233%0.3317%0.173SC..  trans74.521.5-174.700000113.7Q114 N140 D141Q114-G143 PolarHBondContact NE2-O 2.97Å; N140-G143 PolarHBondContact O-N 3.3Å; N140-G143 PolarHBondContact OD1-N 3.21Å; D141-G143 VanDerWaalsContact C-N 3.28Å
144E97.3Very high89.2Confident64 Ų6433.7 Ų33.730%0.29918%0.178SC..  trans-87.4127.3175.7-55.8179.1134.800110.6I139 N140 N142I139-E144 WeakPolarHBondContact CA-O 3.47Å; N140-E144 PolarHBondContact N-O 3.42Å; N140-E144 PolarHBondContact ND2-OE2 2.95Å; N140-E144 VanDerWaalsContact OD1-CB 3.31Å; N140-E144 WeakPolarHBondContact OD1-CB 3.45Å; N140-E144 PolarHBondContact OD1-N 3.45Å; N142-E144 VanDerWaalsContact C-N 3.33Å; N142-E144 HydrophobicContact CB-CG 4.16Å
145L98.4Very high87.5Confident0 Ų036 Ų360%020%0.198CC..EExtended strand (participates in β ladder)trans-94.2132.4176.8-174.9155.9000110.5N67 F111 Q114 L115 L137 L138N67-L145 WeakPolarHBondContact CA-O 3.46Å; N67-L145 WeakPolarHBondContact CB-O 2.97Å; N67-L145 PolarHBondContact ND2-O 3.39Å; F111-L145 HydrophobicContact CB-CD1 3.68Å; F111-L145 HydrophobicContact CD1-CB 4.15Å; F111-L145 HydrophobicContact CD1-CD1 4.26Å; F111-L145 HydrophobicContact CD2-CD1 4.48Å; F111-L145 HydrophobicContact CG-CD1 3.91Å; Q114-L145 HydrophobicContact CB-CB 3.95Å; L115-L145 HydrophobicContact CB-CD2 4.1Å; L137-L145 HydrophobicContact CB-CD1 4.46Å; L137-L145 HydrophobicContact CB-CD2 4.5Å; L137-L145 HydrophobicContact CB-CG 4.47Å; L137-L145 HydrophobicContact CD1-CD1 4.44Å; L137-L145 HydrophobicContact CD2-CD2 4.25Å; L138-L145 CarbonylContact O-C 3.41Å; L138-L145 WeakPolarHBondContact O-CA 3.39Å
146K98.5Very high86.3Confident11 Ų1135.1 Ų35.15%0.04819%0.191CC..EExtended strand (participates in β ladder)trans-129.2131.4-178.1-69.9162.1-173.5-83.60111.9K66 E86 L138K66-K146 WeakPolarHBondContact O-CG 3.21Å; K66-K146 PolarHBondContact O-NZ 3.34Å; E86-K146 WeakPolarHBondContact OE1-CE 3.46Å; E86-K146 IonicContact OE1-NZ 2.94Å; E86-K146 PolarHBondContact OE1-NZ 3.25Å; E86-K146 IonicContact OE2-NZ 2.91Å; E86-K146 PolarHBondContact OE2-NZ 2.87Å; L138-K146 PolarHBondContact N-O 3.16Å; L138-K146 PolarHBondContact O-N 3.43Å
147L98Very high83.9Confident0 Ų037.9 Ų37.90%022%0.222CC..EExtended strand (participates in β ladder)trans-66.7133.7169.1-63.8-179.5000110.4N67 I68 V69 L115 G118 L119 L132 L137 F150N67-L147 WeakPolarHBondContact O-CG 3.41Å; N67-L147 PolarHBondContact O-N 3.37Å; I68-L147 HydrophobicContact CG1-CB 4.38Å; I68-L147 HydrophobicContact CG1-CD1 4.36Å; V69-L147 WeakPolarHBondContact CG1-O 3.37Å; V69-L147 PolarHBondContact N-O 2.89Å; L115-L147 HydrophobicContact CD1-CD2 3.45Å; L115-L147 VanDerWaalsContact CD1-CD2 3.45Å; G118-L147 VanDerWaalsContact C-CD1 3.47Å; L119-L147 HydrophobicContact CD2-CD1 3.79Å; L119-L147 HydrophobicContact CD2-CD2 4.48Å; L119-L147 HydrophobicContact CG-CD1 4.26Å; L132-L147 HydrophobicContact CD2-CD2 3.61Å; L137-L147 HydrophobicContact CD2-CD2 3.42Å; L137-L147 VanDerWaalsContact CD2-CD2 3.42Å; L147-F150 HydrophobicContact CB-CE2 4.07Å; L147-F150 HydrophobicContact CB-CZ 4.04Å
148A93.4Very high81.6Confident9 Ų944 Ų447%0.07425%0.253CS..  trans-137.2171.717800000112.4V69 H129 N136 L138V69-A148 HydrophobicContact CB-CB 4.24Å; V69-A148 HydrophobicContact CG1-CB 3.9Å; H129-A148 PolarHBondContact CE1-O 3.49Å; H129-A148 VanDerWaalsContact CE1-O 3.31Å; H129-A148 PolarHBondContact NE2-O 3.27Å; N136-A148 PolarHBondContact O-N 3.38Å; L138-A148 HydrophobicContact CD1-CB 3.59Å; L138-A148 HydrophobicContact CG-CB 3.68Å
149D85Confident79Confident36 Ų3648.3 Ų48.319%0.19328%0.284CS..  trans58.270.3179.3-155.514.2000114.8K38 H129 G151K38-D149 IonicContact NZ-OD1 3.31Å; K38-D149 PolarHBondContact NZ-OD1 3.32Å; H129-D149 PolarHBondContact CE1-O 3.08Å; D149-G151 PolarHBondContact O-N 3.01Å
150F83.8Confident76.6Confident0 Ų049.9 Ų49.90%029%0.293CS..G310 helixtrans-82.416.7175.7-73.6-107.3000112.3E56 L60 L63 I68 V127 H129 L147 L152 A153E56-F150 HydrophobicContact CG-CB 4.21Å; L60-F150 HydrophobicContact CD1-CB 4.37Å; L60-F150 HydrophobicContact CD1-CD2 4.29Å; L60-F150 HydrophobicContact CD2-CD2 3.61Å; L60-F150 HydrophobicContact CD2-CE2 3.86Å; L60-F150 HydrophobicContact CD2-CG 4.03Å; L60-F150 HydrophobicContact CD2-CZ 4.47Å; L60-F150 HydrophobicContact CG-CB 4.32Å; L60-F150 HydrophobicContact CG-CD2 4.22Å; L60-F150 HydrophobicContact CG-CG 4.32Å; L63-F150 HydrophobicContact CD1-CD1 3.87Å; L63-F150 HydrophobicContact CD1-CE1 3.53Å; L63-F150 HydrophobicContact CD1-CZ 4.18Å; I68-F150 HydrophobicContact CG2-CE2 3.84Å; I68-F150 HydrophobicContact CG2-CZ 3.86Å; V127-F150 HydrophobicContact CG1-CD1 4.42Å; V127-F150 HydrophobicContact CG1-CE1 4.46Å; H129-F150 AromaticContact CD2-CZ 4Å; L147-F150 HydrophobicContact CB-CE2 4.07Å; L147-F150 HydrophobicContact CB-CZ 4.04Å; F150-L152 PolarHBondContact O-N 3.23Å; F150-A153 HydrophobicContact CB-CB 3.71Å; F150-A153 HydrophobicContact CD1-CB 3.53Å; F150-A153 HydrophobicContact CG-CB 4.04Å; F150-A153 VanDerWaalsContact O-CB 3.27Å; F150-A153 WeakPolarHBondContact O-CB 3.38Å; F150-A153 PolarHBondContact O-N 3.17Å
151G70.4Confident74.4Confident2 Ų260.7 Ų60.72%0.02133%0.333CS..G310 helixtrans-59.4-28.4179.800000113.5D149D149-G151 PolarHBondContact O-N 3.01Å
152L68.2Low72.3Confident58 Ų5860.8 Ų60.830%0.30433%0.329SS..G310 helixtrans-101.12.2172.8-64.5178.9000113.3H129 R130 D131 F150H129-L152 CarbonylContact O-C 3.59Å; R130-L152 PolarHBondContact NE-O 2.84Å; R130-L152 PolarHBondContact NH2-O 3.15Å; D131-L152 HydrophobicContact CB-CB 4.21Å; D131-L152 HydrophobicContact CB-CD1 3.81Å; F150-L152 PolarHBondContact O-N 3.23Å
153A63Low70.4Confident0 Ų055.2 Ų55.20%030%0.298CS..  trans-71.1156.9179.200000112.1R55 L59 V127 L128 H129 F150R55-A153 WeakPolarHBondContact CD-O 3.41Å; L59-A153 HydrophobicContact CD1-CB 3.61Å; V127-A153 HydrophobicContact CG1-CB 4.18Å; L128-A153 CarbonylContact O-C 3.47Å; L128-A153 WeakPolarHBondContact O-CA 3.49Å; L128-A153 VanDerWaalsContact O-CB 3.28Å; L128-A153 WeakPolarHBondContact O-CB 3.5Å; H129-A153 WeakPolarHBondContact O-CA 3.33Å; F150-A153 HydrophobicContact CB-CB 3.71Å; F150-A153 HydrophobicContact CD1-CB 3.53Å; F150-A153 HydrophobicContact CG-CB 4.04Å; F150-A153 VanDerWaalsContact O-CB 3.27Å; F150-A153 WeakPolarHBondContact O-CB 3.38Å; F150-A153 PolarHBondContact O-N 3.17Å
154R68.8Low68.7Low72 Ų7257 Ų5727%0.27231%0.306SS..EExtended strand (participates in β ladder)trans-151.3142.9-179.8-160.9164.9-180163.53.4111.7L128 Y163L128-R154 PolarHBondContact N-O 2.77Å; L128-R154 PolarHBondContact O-N 3.42Å; R154-Y163 HydrophobicContact CG-CE1 4.37Å
155A59.4Low66.3Low49 Ų4955.4 Ų55.441%0.40530%0.303SS..EExtended strand (participates in β ladder)trans-66.3138167.200000110.3N126N126-A155 CarbonylContact O-C 3.55Å; N126-A155 WeakPolarHBondContact O-CA 3.47Å
156Y66.4Low64.5Low65 Ų6563.9 Ų63.926%0.25534%0.343SS..  trans-111.7163.5173.376.7-98000110.9H123 N126 L128 T186H123-Y156 PolarHBondContact O-OH 3.31Å; N126-Y156 HydrophobicContact CB-CD1 4.13Å; N126-Y156 HydrophobicContact CB-CD2 4.49Å; N126-Y156 HydrophobicContact CB-CE1 4.08Å; N126-Y156 HydrophobicContact CB-CE2 4.38Å; N126-Y156 HydrophobicContact CB-CG 4.35Å; N126-Y156 WeakPolarHBondContact CB-O 3.42Å; N126-Y156 WeakPolarHBondContact O-CD1 3.3Å; N126-Y156 PolarHBondContact O-N 2.97Å; N126-Y156 WeakPolarHBondContact OD1-CE2 3.44Å; L128-Y156 HydrophobicContact CD2-CD1 3.6Å; L128-Y156 HydrophobicContact CD2-CE1 3.96Å; L128-Y156 HydrophobicContact CD2-CG 4.35Å; L128-Y156 HydrophobicContact CG-CD1 3.73Å; L128-Y156 HydrophobicContact CG-CG 4.29Å; Y156-T186 HydrophobicContact CE1-CG2 3.73Å
157G44.7Very low62.5Low69 Ų6963.7 Ų63.771%0.71134%0.342SS*.SBendtrans97.9-12.4179.200000115.7
158I49Very low60.7Low129 Ų12964 Ų6466%0.66234%0.344SS*.SBendtrans-86135.5161.2-56.7175.7000106.9V160I158-V160 VanDerWaalsContact C-N 3.33Å; I158-V160 WeakPolarHBondContact O-CG2 3.44Å; I158-V160 PolarHBondContact O-N 2.98Å
159P44Very low60Low130 Ų13066 Ų6684%0.84436%0.356SS*.  trans-58.893.8177.2-20.631.7000110.4
160V46.7Very low60.4Low34 Ų3466 Ų6621%0.20636%0.355CS..  trans-88.4121.9172.6-160.80000105.7I158 Q162 Y163I158-V160 VanDerWaalsContact C-N 3.33Å; I158-V160 WeakPolarHBondContact O-CG2 3.44Å; I158-V160 PolarHBondContact O-N 2.98Å; V160-Q162 PolarHBondContact O-N 3.22Å; V160-Q162 VanDerWaalsContact O-N 3.16Å; V160-Y163 HydrophobicContact CB-CD1 4.49Å; V160-Y163 HydrophobicContact CB-CE1 4.08Å; V160-Y163 HydrophobicContact CG1-CD1 4.4Å; V160-Y163 HydrophobicContact CG1-CE1 4.35Å; V160-Y163 HydrophobicContact CG2-CE1 3.73Å
161R46.8Very low61Low246 Ų24670.7 Ų70.793%0.92837%0.373SS*.SBendtrans-51.9-42.2-177.2-80.1-176.6175.2179.2-1.7111.7
162Q47.5Very low62.2Low133 Ų13370.9 Ų70.962%0.62137%0.373SS*.  trans-157.8143.6177.6-64.2-179.7-22.700109.7V160 K182V160-Q162 PolarHBondContact O-N 3.22Å; V160-Q162 VanDerWaalsContact O-N 3.16Å; Q162-K182 HydrophobicContact CB-CB 4.23Å; Q162-K182 HydrophobicContact CG-CB 4.28Å
163Y55Low63.5Low20 Ų2070 Ų708%0.07837%0.366CS..  trans-93.3155165.9-62.5-75.3000111.6R154 V160 K182 Y184R154-Y163 HydrophobicContact CG-CE1 4.37Å; V160-Y163 HydrophobicContact CB-CD1 4.49Å; V160-Y163 HydrophobicContact CB-CE1 4.08Å; V160-Y163 HydrophobicContact CG1-CD1 4.4Å; V160-Y163 HydrophobicContact CG1-CE1 4.35Å; V160-Y163 HydrophobicContact CG2-CE1 3.73Å; Y163-K182 WeakPolarHBondContact CB-O 3.27Å; Y163-K182 WeakPolarHBondContact CD2-O 3.29Å; Y163-K182 PolarHBondContact N-O 2.81Å; Y163-Y184 WeakPolarHBondContact CB-OH 3.22Å; Y163-Y184 HydrophobicContact CD1-CE2 4.28Å; Y163-Y184 HydrophobicContact CD2-CD2 4.13Å; Y163-Y184 AromaticContact CD2-CE2 3.95Å; Y163-Y184 HydrophobicContact CD2-CE2 3.95Å; Y163-Y184 HydrophobicContact CG-CD2 4.4Å; Y163-Y184 HydrophobicContact CG-CE1 4.39Å; Y163-Y184 AromaticContact CG-CE2 3.76Å; Y163-Y184 HydrophobicContact CG-CE2 3.76Å; Y163-Y184 AromaticContact CG-CZ 3.81Å
164S57.9Low65.2Low71 Ų7170 Ų7050%0.49737%0.366SS..  trans-64.6135.8177.2-46.30000110.9V167 Y184S164-V167 WeakPolarHBondContact O-CG1 3.41Å; S164-Y184 PolarHBondContact O-OH 3.45Å
165A47Very low66.5Low30 Ų3066.5 Ų66.525%0.24835%0.353CS..SBendtrans-81.8-31-177.700000113.5V167A165-V167 PolarHBondContact O-N 3.49Å
166E60.7Low68.2Low178 Ų17864.4 Ų64.483%0.83234%0.335SS*.SBendtrans-80.866173.7-68.3-174.6171.400111.4
167V57.4Low69.6Low6 Ų661.5 Ų61.54%0.03632%0.324CS..  trans-120.5156.1171.8-660000109.4R130 S164 A165 R173 V177 Y184 I188R130-V167 HydrophobicContact CB-CB 4.48Å; S164-V167 WeakPolarHBondContact O-CG1 3.41Å; A165-V167 PolarHBondContact O-N 3.49Å; V167-R173 PolarHBondContact O-NE 3.12Å; V167-R173 PolarHBondContact O-NH2 2.86Å; V167-V177 HydrophobicContact CG2-CG1 4.21Å; V167-Y184 HydrophobicContact CG2-CE1 4.16Å; V167-Y184 WeakPolarHBondContact CG2-OH 3.36Å; V167-I188 HydrophobicContact CG2-CD1 3.97Å
168V59.5Low72Confident6 Ų658.7 Ų58.74%0.03629%0.292CS..SBendtrans66.5135.4-175.1-165.40000112.8R130 L170 Y172 R173 I188R130-V168 WeakPolarHBondContact O-CA 3.38Å; R130-V168 WeakPolarHBondContact O-CG2 3.39Å; R130-V168 PolarHBondContact O-N 3.01Å; V168-L170 PolarHBondContact O-N 3.42Å; V168-Y172 VanDerWaalsContact CG1-C 3.48Å; V168-Y172 WeakPolarHBondContact CG1-O 3.46Å; V168-R173 HydrophobicContact CB-CB 4.26Å; V168-R173 HydrophobicContact CB-CG 4.43Å; V168-R173 HydrophobicContact CG1-CB 4.38Å; V168-R173 PolarHBondContact O-NE 3.12Å; V168-R173 PolarHBondContact O-NH2 3.48Å; V168-I188 HydrophobicContact CG2-CD1 3.69Å; V168-I188 HydrophobicContact CG2-CG1 3.93Å
169T79.1Confident74.2Confident53 Ų5352.8 Ų52.833%0.32526%0.262SS..  trans-60.6134.1171.2-58.10000109.9D131 K133 W171 Y172 R173D131-T169 PolarHBondContact OD1-N 3.4Å; D131-T169 PolarHBondContact OD1-OG1 3.3Å; K133-T169 WeakPolarHBondContact CD-OG1 3.48Å; K133-T169 PolarHBondContact NZ-OG1 3.38Å; K133-T169 VanDerWaalsContact NZ-OG1 3.08Å; T169-W171 VanDerWaalsContact C-N 3.27Å; T169-W171 PolarHBondContact O-N 3.2Å; T169-Y172 HydrophobicContact CG2-CD2 4.33Å; T169-Y172 HydrophobicContact CG2-CE2 4.41Å; T169-Y172 PolarHBondContact O-N 3.49Å; T169-R173 PolarHBondContact O-N 3.14Å
170L92.7Very high76.5Confident34 Ų3446.6 Ų46.618%0.17822%0.222CC..G310 helixtrans-43.4-45.6-164.8-178.262.6000114.8V168 Y172 R173 L178 G210 V213 Q216V168-L170 PolarHBondContact O-N 3.42Å; L170-Y172 PolarHBondContact O-N 3.39Å; L170-R173 WeakPolarHBondContact O-CB 3.31Å; L170-R173 PolarHBondContact O-N 2.86Å; L170-R173 VanDerWaalsContact O-N 3.12Å; L170-L178 HydrophobicContact CD1-CD2 3.71Å; L170-G210 WeakPolarHBondContact CD2-O 3.42Å; L170-V213 HydrophobicContact CD1-CG2 4.36Å; L170-Q216 HydrophobicContact CD1-CB 3.92Å; L170-Q216 HydrophobicContact CD1-CG 3.96Å; L170-Q216 HydrophobicContact CG-CB 4.17Å; L170-Q216 HydrophobicContact CG-CG 4.16Å; L170-Q216 PolarHBondContact O-NE2 3.12Å
171W96Very high78.6Confident100 Ų10045.3 Ų45.338%0.37922%0.215SC..G310 helixtrans-65-21.8-176.2-56.7-15.9000114.8T169 P206 F208 G210 Q216T169-W171 VanDerWaalsContact C-N 3.27Å; T169-W171 PolarHBondContact O-N 3.2Å; W171-P206 HydrophobicContact CD2-CB 4.42Å; W171-P206 HydrophobicContact CD2-CG 4.46Å; W171-P206 HydrophobicContact CE3-CB 3.91Å; W171-P206 HydrophobicContact CE3-CG 3.57Å; W171-P206 HydrophobicContact CZ3-CB 4.45Å; W171-P206 HydrophobicContact CZ3-CG 3.64Å; W171-F208 WeakPolarHBondContact CA-O 3.2Å; W171-F208 WeakPolarHBondContact CB-O 3.21Å; W171-G210 PolarHBondContact NE1-O 3Å; W171-Q216 PolarHBondContact O-NE2 3.19Å
172Y97Very high80.3Confident5 Ų536.7 Ų36.72%0.0218%0.184CC..G310 helixtrans-1083.6-179.6-46.6-85000111.6L132 K133 P134 V168 T169 L170 W191 S192 C195 I196 E199L132-Y172 WeakPolarHBondContact O-CB 3.32Å; K133-Y172 HydrophobicContact CB-CD2 3.76Å; K133-Y172 HydrophobicContact CB-CE2 3.57Å; K133-Y172 HydrophobicContact CB-CG 4.39Å; P134-Y172 WeakPolarHBondContact CD-OH 3.5Å; P134-Y172 HydrophobicContact CG-CE1 4.35Å; P134-Y172 WeakPolarHBondContact CG-OH 3.44Å; V168-Y172 VanDerWaalsContact CG1-C 3.48Å; V168-Y172 WeakPolarHBondContact CG1-O 3.46Å; T169-Y172 HydrophobicContact CG2-CD2 4.33Å; T169-Y172 HydrophobicContact CG2-CE2 4.41Å; T169-Y172 PolarHBondContact O-N 3.49Å; L170-Y172 PolarHBondContact O-N 3.39Å; Y172-W191 VanDerWaalsContact O-CD1 3.22Å; Y172-S192 PolarHBondContact O-OG 3.49Å; Y172-C195 HydrophobicContact CD1-CB 3.83Å; Y172-C195 HydrophobicContact CE1-CB 4.48Å; Y172-I196 HydrophobicContact CD1-CG1 3.89Å; Y172-I196 HydrophobicContact CE1-CG1 3.85Å; Y172-E199 WeakPolarHBondContact CE1-OE2 3.26Å; Y172-E199 PolarHBondContact OH-OE2 2.99Å
173R95.9Very high81.7Confident39 Ų3936.4 Ų36.415%0.14719%0.186CC..  trans-79.5133.9-178.9-167.7-179.5-67.7162.75110.3V167 V168 T169 L170 V177 L178 W191V167-R173 PolarHBondContact O-NE 3.12Å; V167-R173 PolarHBondContact O-NH2 2.86Å; V168-R173 HydrophobicContact CB-CB 4.26Å; V168-R173 HydrophobicContact CB-CG 4.43Å; V168-R173 HydrophobicContact CG1-CB 4.38Å; V168-R173 PolarHBondContact O-NE 3.12Å; V168-R173 PolarHBondContact O-NH2 3.48Å; T169-R173 PolarHBondContact O-N 3.14Å; L170-R173 WeakPolarHBondContact O-CB 3.31Å; L170-R173 PolarHBondContact O-N 2.86Å; L170-R173 VanDerWaalsContact O-N 3.12Å; R173-V177 HydrophobicContact CG-CB 3.92Å; R173-V177 HydrophobicContact CG-CG1 3.83Å; R173-L178 HydrophobicContact CB-CD2 4.31Å; R173-L178 HydrophobicContact CB-CG 4.27Å; R173-L178 HydrophobicContact CG-CD2 4.21Å; R173-L178 HydrophobicContact CG-CG 4Å; R173-W191 PolarHBondContact O-NE1 2.99Å; R173-W191 VanDerWaalsContact O-NE1 3.15Å
174P96.9Very high83Confident0 Ų036 Ų360%019%0.185CC..  trans-78.7160.4-179.835.1-39.8000112.8D176 V177 L178 I188 W191P174-D176 VanDerWaalsContact C-N 3.3Å; P174-D176 VanDerWaalsContact CB-OD1 3.29Å; P174-D176 WeakPolarHBondContact CB-OD1 3.43Å; P174-D176 PolarHBondContact O-N 3.22Å; P174-V177 HydrophobicContact CG-CB 3.96Å; P174-V177 HydrophobicContact CG-CG2 3.61Å; P174-V177 PolarHBondContact O-N 3.41Å; P174-L178 WeakPolarHBondContact O-CG 3.13Å; P174-L178 PolarHBondContact O-N 3.09Å; P174-I188 HydrophobicContact CG-CB 4.5Å; P174-I188 HydrophobicContact CG-CG1 3.92Å; P174-W191 HydrophobicContact CB-CB 3.76Å; P174-W191 HydrophobicContact CB-CD2 3.87Å; P174-W191 HydrophobicContact CB-CE3 4.47Å; P174-W191 HydrophobicContact CB-CG 3.5Å; P174-W191 VanDerWaalsContact CB-CG 3.5Å
175P96.6Very high84.4Confident0 Ų036.5 Ų36.50%019%0.185CC..Hα-helixtrans-55.6-39.3-179.6-3038.8000114.3V177 L178 L179 W191 L217 I220 F221 W232 C275P175-V177 VanDerWaalsContact C-N 3.33Å; P175-V177 PolarHBondContact O-N 3.24Å; P175-L178 PolarHBondContact O-N 3.29Å; P175-L179 WeakPolarHBondContact O-CB 3.37Å; P175-L179 VanDerWaalsContact O-CG 3.28Å; P175-L179 WeakPolarHBondContact O-CG 3.37Å; P175-L179 PolarHBondContact O-N 3.5Å; P175-W191 HydrophobicContact CG-CH2 3.79Å; P175-W191 HydrophobicContact CG-CZ2 4.19Å; P175-W191 HydrophobicContact CG-CZ3 4.05Å; P175-L217 HydrophobicContact CB-CD2 4.37Å; P175-I220 HydrophobicContact CG-CD1 4.16Å; P175-I220 HydrophobicContact CG-CG2 3.88Å; P175-F221 HydrophobicContact CB-CE1 4.45Å; P175-W232 HydrophobicContact CB-CH2 4.03Å; P175-W232 HydrophobicContact CB-CZ3 3.79Å; P175-C275 HydrophobicContact CG-CB 4.38Å
176D95.9Very high86.7Confident4 Ų436.6 Ų36.62%0.02118%0.182CC..Hα-helixtrans-62.1-41.9-179.550.9-67.4000111.8P174 L179 G180 A181 W232 P277 R280P174-D176 VanDerWaalsContact C-N 3.3Å; P174-D176 VanDerWaalsContact CB-OD1 3.29Å; P174-D176 WeakPolarHBondContact CB-OD1 3.43Å; P174-D176 PolarHBondContact O-N 3.22Å; D176-L179 CarbonylContact O-C 3.27Å; D176-L179 PolarHBondContact O-N 2.88Å; D176-G180 PolarHBondContact O-N 3.48Å; D176-A181 HydrophobicContact CB-CB 4.16Å; D176-A181 WeakPolarHBondContact O-CB 3.28Å; D176-A181 PolarHBondContact O-N 3.19Å; D176-W232 HydrophobicContact CB-CH2 3.75Å; D176-W232 HydrophobicContact CB-CZ2 3.69Å; D176-P277 HydrophobicContact CB-CG 4.04Å; D176-R280 IonicContact OD1-CZ 3Å; D176-R280 IonicContact OD1-NH1 2.64Å; D176-R280 IonicContact OD1-NH2 3.49Å; D176-R280 PolarHBondContact OD1-NH2 2.97Å
177V94.7Very high88.4Confident5 Ų528.3 Ų28.33%0.0314%0.144CC..Hα-helixtrans-74.4-35.6177.3-1780000111.4V167 R173 P174 P175 L179 G180 Y184 I188V167-V177 HydrophobicContact CG2-CG1 4.21Å; R173-V177 HydrophobicContact CG-CB 3.92Å; R173-V177 HydrophobicContact CG-CG1 3.83Å; P174-V177 HydrophobicContact CG-CB 3.96Å; P174-V177 HydrophobicContact CG-CG2 3.61Å; P174-V177 PolarHBondContact O-N 3.41Å; P175-V177 VanDerWaalsContact C-N 3.33Å; P175-V177 PolarHBondContact O-N 3.24Å; V177-L179 VanDerWaalsContact C-N 3.26Å; V177-L179 PolarHBondContact O-N 2.84Å; V177-G180 PolarHBondContact O-N 3.28Å; V177-G180 VanDerWaalsContact O-N 3.1Å; V177-Y184 HydrophobicContact CG2-CD1 3.99Å; V177-Y184 HydrophobicContact CG2-CG 4.44Å; V177-I188 HydrophobicContact CG2-CD1 3.87Å; V177-I188 HydrophobicContact CG2-CG1 4.26Å
178L95.1Very high90.2Very high9 Ų928 Ų285%0.04714%0.142CC..Hα-helixtrans-62.6-34.3173.4-72.8163.1000112.3L170 R173 P174 P175 G180 V213 Q216 L217 I220L170-L178 HydrophobicContact CD1-CD2 3.71Å; R173-L178 HydrophobicContact CB-CD2 4.31Å; R173-L178 HydrophobicContact CB-CG 4.27Å; R173-L178 HydrophobicContact CG-CD2 4.21Å; R173-L178 HydrophobicContact CG-CG 4Å; P174-L178 WeakPolarHBondContact O-CG 3.13Å; P174-L178 PolarHBondContact O-N 3.09Å; P175-L178 PolarHBondContact O-N 3.29Å; L178-G180 PolarHBondContact O-N 3.38Å; L178-V213 HydrophobicContact CB-CG1 4.31Å; L178-V213 HydrophobicContact CD2-CB 4.41Å; L178-V213 HydrophobicContact CD2-CG1 3.96Å; L178-V213 HydrophobicContact CD2-CG2 4.26Å; L178-Q216 HydrophobicContact CD1-CB 4.33Å; L178-Q216 HydrophobicContact CD1-CG 3.57Å; L178-Q216 HydrophobicContact CD2-CB 4.3Å; L178-Q216 HydrophobicContact CD2-CG 4.01Å; L178-Q216 HydrophobicContact CG-CG 4.47Å; L178-L217 HydrophobicContact CB-CD1 4.28Å; L178-L217 HydrophobicContact CB-CD2 3.7Å; L178-L217 HydrophobicContact CB-CG 3.94Å; L178-L217 HydrophobicContact CD1-CD2 3.91Å; L178-L217 HydrophobicContact CD1-CG 4.17Å; L178-L217 HydrophobicContact CG-CD2 4.43Å; L178-I220 HydrophobicContact CD1-CD1 3.66Å
179L95.2Very high92Very high5 Ų527.8 Ų27.83%0.02614%0.141CC..THydrogen-bonded Turntrans-87.314.6175-65.7167.6000112.8P175 D176 V177 L217 W232 V235 L238 D240 F244P175-L179 WeakPolarHBondContact O-CB 3.37Å; P175-L179 VanDerWaalsContact O-CG 3.28Å; P175-L179 WeakPolarHBondContact O-CG 3.37Å; P175-L179 PolarHBondContact O-N 3.5Å; D176-L179 CarbonylContact O-C 3.27Å; D176-L179 PolarHBondContact O-N 2.88Å; V177-L179 VanDerWaalsContact C-N 3.26Å; V177-L179 PolarHBondContact O-N 2.84Å; L179-L217 HydrophobicContact CD2-CD1 3.78Å; L179-L217 HydrophobicContact CD2-CD2 4.43Å; L179-L217 HydrophobicContact CG-CD1 4.27Å; L179-L217 HydrophobicContact CG-CD2 4.15Å; L179-W232 HydrophobicContact CD1-CH2 4.06Å; L179-W232 HydrophobicContact CD1-CZ3 4.1Å; L179-V235 HydrophobicContact CD1-CG2 3.91Å; L179-L238 HydrophobicContact CB-CB 4.03Å; L179-L238 HydrophobicContact CB-CD1 3.59Å; L179-L238 HydrophobicContact CB-CG 4.43Å; L179-L238 HydrophobicContact CD1-CD1 3.77Å; L179-L238 HydrophobicContact CG-CD1 4.34Å; L179-L238 WeakPolarHBondContact O-CB 3.14Å; L179-D240 PolarHBondContact O-N 2.68Å; L179-F244 HydrophobicContact CD1-CZ 4.32Å; L179-F244 HydrophobicContact CD2-CE1 4.36Å; L179-F244 HydrophobicContact CD2-CZ 4.48Å
180G92.6Very high92.9Very high0 Ų025.3 Ų25.30%013%0.125CC..THydrogen-bonded Turntrans90.88.1167.500000116.3D176 V177 L178 K182 P239 D240D176-G180 PolarHBondContact O-N 3.48Å; V177-G180 PolarHBondContact O-N 3.28Å; V177-G180 VanDerWaalsContact O-N 3.1Å; L178-G180 PolarHBondContact O-N 3.38Å; G180-K182 WeakPolarHBondContact O-CD 3.49Å; G180-K182 WeakPolarHBondContact O-CE 3.05Å; G180-K182 PolarHBondContact O-N 3.48Å; G180-K182 VanDerWaalsContact O-N 3.15Å; G180-P239 WeakPolarHBondContact O-CG 3.29Å; G180-D240 WeakPolarHBondContact CA-OD2 3.27Å
181A92Very high93.2Very high7 Ų723.7 Ų23.76%0.05812%0.117CC..  trans-50.2123178.400000111.5D176 L238D176-A181 HydrophobicContact CB-CB 4.16Å; D176-A181 WeakPolarHBondContact O-CB 3.28Å; D176-A181 PolarHBondContact O-N 3.19Å; A181-L238 HydrophobicContact CB-CD2 3.81Å
182K81.5Confident93.3Very high65 Ų6518.9 Ų18.928%0.28310%0.099SC..SBendtrans-92.7-14.9177.2-53.4-56.1179.2-161.20113.1Q162 Y163 G180Q162-K182 HydrophobicContact CB-CB 4.23Å; Q162-K182 HydrophobicContact CG-CB 4.28Å; Y163-K182 WeakPolarHBondContact CB-O 3.27Å; Y163-K182 WeakPolarHBondContact CD2-O 3.29Å; Y163-K182 PolarHBondContact N-O 2.81Å; G180-K182 WeakPolarHBondContact O-CD 3.49Å; G180-K182 WeakPolarHBondContact O-CE 3.05Å; G180-K182 PolarHBondContact O-N 3.48Å; G180-K182 VanDerWaalsContact O-N 3.15Å
183L78.1Confident93.4Very high128 Ų12818.7 Ų18.767%0.6710%0.098SC*.  trans-116.9114.6176.4-63.8175.1000107.4
184Y80.5Confident93.5Very high12 Ų1216.8 Ų16.85%0.0479%0.091CC..  trans-134152.1177.340.5-107.5000109.9L128 R130 Y163 S164 V167 V177 I188L128-Y184 HydrophobicContact CD1-CD2 4.12Å; L128-Y184 HydrophobicContact CD1-CE2 4.44Å; R130-Y184 PolarHBondContact NH1-OH 3.35Å; Y163-Y184 WeakPolarHBondContact CB-OH 3.22Å; Y163-Y184 HydrophobicContact CD1-CE2 4.28Å; Y163-Y184 HydrophobicContact CD2-CD2 4.13Å; Y163-Y184 AromaticContact CD2-CE2 3.95Å; Y163-Y184 HydrophobicContact CD2-CE2 3.95Å; Y163-Y184 HydrophobicContact CG-CD2 4.4Å; Y163-Y184 HydrophobicContact CG-CE1 4.39Å; Y163-Y184 AromaticContact CG-CE2 3.76Å; Y163-Y184 HydrophobicContact CG-CE2 3.76Å; Y163-Y184 AromaticContact CG-CZ 3.81Å; S164-Y184 PolarHBondContact O-OH 3.45Å; V167-Y184 HydrophobicContact CG2-CE1 4.16Å; V167-Y184 WeakPolarHBondContact CG2-OH 3.36Å; V177-Y184 HydrophobicContact CG2-CD1 3.99Å; V177-Y184 HydrophobicContact CG2-CG 4.44Å; Y184-I188 HydrophobicContact CD2-CD1 4.21Å; Y184-I188 HydrophobicContact CE2-CD1 4.38Å; Y184-I188 HydrophobicContact CG-CD1 4.34Å
185T88.6Confident93.6Very high80 Ų8016.9 Ų16.949%0.4919%0.092SC..  trans-110.9-164.2-175.767.90000110.1S187 I188T185-S187 PolarHBondContact O-N 2.78Å; T185-S187 VanDerWaalsContact O-N 3.1Å; T185-S187 PolarHBondContact OG1-N 3.14Å; T185-S187 PolarHBondContact OG1-OG 3.36Å; T185-S187 VanDerWaalsContact OG1-OG 3.12Å; T185-I188 VanDerWaalsContact O-CG2 3.26Å; T185-I188 WeakPolarHBondContact O-CG2 2.88Å; T185-I188 PolarHBondContact O-N 3.09Å
186T95.1Very high93.6Very high32 Ų3216.9 Ų16.920%0.1969%0.092CC..THydrogen-bonded Turntrans-55.7-20.117151.80000113.5H123 L128 Y156 I188 D189 M190H123-T186 HydrophobicContact CB-CG2 3.74Å; H123-T186 VanDerWaalsContact CG-CG2 3.41Å; H123-T186 WeakPolarHBondContact ND1-CB 3.33Å; L128-T186 HydrophobicContact CD2-CG2 3.76Å; Y156-T186 HydrophobicContact CE1-CG2 3.73Å; T186-I188 PolarHBondContact O-N 3.23Å; T186-D189 PolarHBondContact O-N 3.18Å; T186-D189 VanDerWaalsContact O-N 3.15Å; T186-M190 PolarHBondContact O-N 2.82Å
187S96.3Very high93.8Very high5 Ų516.7 Ų16.74%0.0359%0.091CC..Hα-helixtrans-58.5-27.4178.666.10000113.7T185 D189 M190 W191 P277 R280T185-S187 PolarHBondContact O-N 2.78Å; T185-S187 VanDerWaalsContact O-N 3.1Å; T185-S187 PolarHBondContact OG1-N 3.14Å; T185-S187 PolarHBondContact OG1-OG 3.36Å; T185-S187 VanDerWaalsContact OG1-OG 3.12Å; S187-D189 VanDerWaalsContact C-N 3.32Å; S187-D189 PolarHBondContact O-N 2.93Å; S187-M190 PolarHBondContact O-N 2.67Å; S187-W191 PolarHBondContact O-N 3.18Å; S187-P277 WeakPolarHBondContact CB-O 3.38Å; S187-P277 WeakPolarHBondContact OG-CB 2.79Å; S187-R280 VanDerWaalsContact C-NH1 3.29Å; S187-R280 VanDerWaalsContact O-CD 3.28Å; S187-R280 WeakPolarHBondContact O-CD 3.21Å; S187-R280 PolarHBondContact O-NH1 3.17Å
188I95.8Very high93.9Very high0 Ų016.5 Ų16.50%09%0.09CC..Hα-helixtrans-60.4-42.3176.8-168.3174.4000111.9R130 V167 V168 P174 V177 Y184 T185 T186 S192R130-I188 HydrophobicContact CG-CG2 4.4Å; V167-I188 HydrophobicContact CG2-CD1 3.97Å; V168-I188 HydrophobicContact CG2-CD1 3.69Å; V168-I188 HydrophobicContact CG2-CG1 3.93Å; P174-I188 HydrophobicContact CG-CB 4.5Å; P174-I188 HydrophobicContact CG-CG1 3.92Å; V177-I188 HydrophobicContact CG2-CD1 3.87Å; V177-I188 HydrophobicContact CG2-CG1 4.26Å; Y184-I188 HydrophobicContact CD2-CD1 4.21Å; Y184-I188 HydrophobicContact CE2-CD1 4.38Å; Y184-I188 HydrophobicContact CG-CD1 4.34Å; T185-I188 VanDerWaalsContact O-CG2 3.26Å; T185-I188 WeakPolarHBondContact O-CG2 2.88Å; T185-I188 PolarHBondContact O-N 3.09Å; T186-I188 PolarHBondContact O-N 3.23Å; I188-S192 PolarHBondContact O-N 3.12Å; I188-S192 PolarHBondContact O-OG 3.12Å
189D96.8Very high93.9Very high0 Ų016.2 Ų16.20%09%0.088CC..Hα-helixtrans-72.6-36.7179.3-66.7-28.3000110.4L119 H123 H129 R130 L132 T186 S187 W191 S192 A193L119-D189 HydrophobicContact CD1-CB 4.41Å; L119-D189 HydrophobicContact CD2-CB 4.15Å; H123-D189 IonicContact CD2-OD2 3.93Å; H123-D189 IonicContact CE1-OD2 2.77Å; H123-D189 IonicContact NE2-OD2 2.83Å; H123-D189 PolarHBondContact NE2-OD2 2.89Å; H129-D189 PolarHBondContact N-OD1 3.02Å; H129-D189 PolarHBondContact N-OD2 2.89Å; R130-D189 PolarHBondContact N-OD1 2.93Å; L132-D189 HydrophobicContact CD1-CB 3.78Å; L132-D189 WeakPolarHBondContact CD1-O 3.44Å; T186-D189 PolarHBondContact O-N 3.18Å; T186-D189 VanDerWaalsContact O-N 3.15Å; S187-D189 VanDerWaalsContact C-N 3.32Å; S187-D189 PolarHBondContact O-N 2.93Å; D189-W191 PolarHBondContact O-N 2.91Å; D189-S192 PolarHBondContact O-N 3.23Å; D189-A193 WeakPolarHBondContact O-CB 3.13Å; D189-A193 PolarHBondContact O-N 2.74Å
190M98.6Very high93.9Very high1 Ų116.1 Ų16.11%0.0059%0.087CC..Hα-helixtrans-65.3-38.8179.9-57.4-49.2-56.300112.6L116 L119 T186 S187 A193 G194 L272 R280 M281 A283 A286L116-M190 HydrophobicContact CD2-CE 3.59Å; L119-M190 HydrophobicContact CD1-SD 4.43Å; T186-M190 PolarHBondContact O-N 2.82Å; S187-M190 PolarHBondContact O-N 2.67Å; M190-A193 PolarHBondContact O-N 3.37Å; M190-G194 PolarHBondContact O-N 3.05Å; M190-L272 HydrophobicContact CB-CD2 4.38Å; M190-L272 HydrophobicContact CE-CD2 3.45Å; M190-L272 VanDerWaalsContact CE-CD2 3.45Å; M190-R280 HydrophobicContact CB-CG 4.32Å; M190-M281 WeakPolarHBondContact CG-O 3.26Å; M190-A283 HydrophobicContact CE-CB 4.08Å; M190-A283 HydrophobicContact SD-CB 3.86Å; M190-A286 HydrophobicContact CE-CB 4.44Å
191W98.5Very high94Very high0 Ų016.2 Ų16.20%09%0.088CC..Hα-helixtrans-61.7-48.8172.6174.7-87.4000111.3Y172 R173 P174 P175 S187 D189 A193 G194 C195 F208 I220 L224 V273Y172-W191 VanDerWaalsContact O-CD1 3.22Å; R173-W191 PolarHBondContact O-NE1 2.99Å; R173-W191 VanDerWaalsContact O-NE1 3.15Å; P174-W191 HydrophobicContact CB-CB 3.76Å; P174-W191 HydrophobicContact CB-CD2 3.87Å; P174-W191 HydrophobicContact CB-CE3 4.47Å; P174-W191 HydrophobicContact CB-CG 3.5Å; P174-W191 VanDerWaalsContact CB-CG 3.5Å; P175-W191 HydrophobicContact CG-CH2 3.79Å; P175-W191 HydrophobicContact CG-CZ2 4.19Å; P175-W191 HydrophobicContact CG-CZ3 4.05Å; S187-W191 PolarHBondContact O-N 3.18Å; D189-W191 PolarHBondContact O-N 2.91Å; W191-A193 VanDerWaalsContact C-N 3.27Å; W191-A193 PolarHBondContact O-N 3.11Å; W191-G194 WeakPolarHBondContact O-CA 3.3Å; W191-G194 PolarHBondContact O-N 2.63Å; W191-C195 PolarHBondContact NE1-SG 2.96Å; W191-C195 PolarHBondContact O-N 3.22Å; W191-F208 HydrophobicContact CH2-CE2 4Å; W191-F208 HydrophobicContact CH2-CZ 4.38Å; W191-F208 AromaticContact CZ2-CD2 3.99Å; W191-F208 HydrophobicContact CZ2-CD2 3.99Å; W191-F208 AromaticContact CZ2-CE2 3.52Å; W191-F208 HydrophobicContact CZ2-CE2 3.52Å; W191-F208 HydrophobicContact CZ2-CZ 4.28Å; W191-I220 HydrophobicContact CH2-CD1 4.31Å; W191-I220 HydrophobicContact CH2-CG1 4.3Å; W191-I220 HydrophobicContact CH2-CG2 3.63Å; W191-I220 HydrophobicContact CZ2-CD1 3.69Å; W191-I220 HydrophobicContact CZ2-CG1 3.9Å; W191-I220 HydrophobicContact CZ2-CG2 4.1Å; W191-L224 HydrophobicContact CH2-CD1 3.52Å; W191-L224 HydrophobicContact CZ3-CD1 3.77Å; W191-V273 HydrophobicContact CE3-CB 4.32Å; W191-V273 HydrophobicContact CH2-CB 4.48Å; W191-V273 HydrophobicContact CZ3-CB 4.08Å
192S98.1Very high93.9Very high0 Ų018.3 Ų18.30%010%0.098CC..Hα-helixtrans-59.5-41.5179.8-52.90000110.9Y172 I188 D189 G194 C195 I196Y172-S192 PolarHBondContact O-OG 3.49Å; I188-S192 PolarHBondContact O-N 3.12Å; I188-S192 PolarHBondContact O-OG 3.12Å; D189-S192 PolarHBondContact O-N 3.23Å; S192-G194 VanDerWaalsContact C-N 3.34Å; S192-G194 PolarHBondContact O-N 3.31Å; S192-C195 PolarHBondContact O-N 3.33Å; S192-I196 VanDerWaalsContact O-CG1 3.28Å; S192-I196 WeakPolarHBondContact O-CG1 3.34Å; S192-I196 PolarHBondContact O-N 3.22Å
193A98.7Very high93.8Very high0 Ų016.9 Ų16.90%010%0.098CC..Hα-helixtrans-62.5-38.3174.100000112.4M112 L115 L119 D189 M190 W191 I196 F197M112-A193 HydrophobicContact CE-CB 3.96Å; L115-A193 HydrophobicContact CD2-CB 3.93Å; L115-A193 HydrophobicContact CG-CB 4.4Å; L119-A193 HydrophobicContact CD1-CB 3.91Å; D189-A193 WeakPolarHBondContact O-CB 3.13Å; D189-A193 PolarHBondContact O-N 2.74Å; M190-A193 PolarHBondContact O-N 3.37Å; W191-A193 VanDerWaalsContact C-N 3.27Å; W191-A193 PolarHBondContact O-N 3.11Å; A193-I196 PolarHBondContact O-N 3.49Å; A193-F197 WeakPolarHBondContact O-CB 3.44Å; A193-F197 PolarHBondContact O-N 2.91Å
194G98.6Very high94.2Very high0 Ų011.3 Ų11.30%07%0.072CC..Hα-helixtrans-61.6-46.2172.200000113M190 W191 S192 I196 F197 A198 L269M190-G194 PolarHBondContact O-N 3.05Å; W191-G194 WeakPolarHBondContact O-CA 3.3Å; W191-G194 PolarHBondContact O-N 2.63Å; S192-G194 VanDerWaalsContact C-N 3.34Å; S192-G194 PolarHBondContact O-N 3.31Å; G194-I196 VanDerWaalsContact C-N 3.34Å; G194-I196 PolarHBondContact O-N 3.37Å; G194-F197 WeakPolarHBondContact O-CB 3.47Å; G194-F197 PolarHBondContact O-N 3.17Å; G194-A198 PolarHBondContact O-N 2.76Å; G194-L269 WeakPolarHBondContact O-CD1 3.43Å
195C98.3Very high94.7Very high2 Ų218.9 Ų18.91%0.01410%0.1CC..Hα-helixtrans-58.1-45.8174.4-69.50000111.9Y172 W191 S192 F197 A198 E199Y172-C195 HydrophobicContact CD1-CB 3.83Å; Y172-C195 HydrophobicContact CE1-CB 4.48Å; W191-C195 PolarHBondContact NE1-SG 2.96Å; W191-C195 PolarHBondContact O-N 3.22Å; S192-C195 PolarHBondContact O-N 3.33Å; C195-F197 VanDerWaalsContact C-N 3.34Å; C195-F197 PolarHBondContact O-N 3.17Å; C195-A198 PolarHBondContact O-N 3.29Å; C195-E199 WeakPolarHBondContact O-CB 3.41Å; C195-E199 PolarHBondContact O-N 3.22Å
196I97.7Very high95Very high0 Ų016.6 Ų16.60%09%0.087CC..Hα-helixtrans-64.9-38.5177.9-65.5165.9000110.9L92 L115 L132 L137 Y172 S192 A193 G194 A198 E199 M200L92-I196 HydrophobicContact CD2-CG2 3.74Å; L115-I196 HydrophobicContact CD2-CG2 4.41Å; L132-I196 HydrophobicContact CB-CD1 4.08Å; L137-I196 HydrophobicContact CD1-CD1 3.89Å; L137-I196 HydrophobicContact CD1-CG2 3.79Å; Y172-I196 HydrophobicContact CD1-CG1 3.89Å; Y172-I196 HydrophobicContact CE1-CG1 3.85Å; S192-I196 VanDerWaalsContact O-CG1 3.28Å; S192-I196 WeakPolarHBondContact O-CG1 3.34Å; S192-I196 PolarHBondContact O-N 3.22Å; A193-I196 PolarHBondContact O-N 3.49Å; G194-I196 VanDerWaalsContact C-N 3.34Å; G194-I196 PolarHBondContact O-N 3.37Å; I196-A198 VanDerWaalsContact C-N 3.34Å; I196-A198 PolarHBondContact O-N 3Å; I196-E199 PolarHBondContact O-N 2.84Å; I196-M200 HydrophobicContact CG2-CE 4.22Å; I196-M200 HydrophobicContact CG2-CG 4.28Å; I196-M200 HydrophobicContact CG2-SD 4.47Å; I196-M200 WeakPolarHBondContact O-CG 3.12Å; I196-M200 PolarHBondContact O-N 3.4Å
197F98.1Very high95Very high0 Ų016.4 Ų16.40%09%0.085CC..Hα-helixtrans-61.6-42.7177.1-175.1-153.2000112.4V108 M112 A193 G194 C195 M200 S201 M261 G265 L268 L269 L272 Y291V108-F197 HydrophobicContact CG1-CD2 3.91Å; V108-F197 HydrophobicContact CG1-CE2 3.72Å; M112-F197 HydrophobicContact CB-CD2 4.1Å; M112-F197 HydrophobicContact CB-CE2 4.29Å; M112-F197 HydrophobicContact CE-CB 4.28Å; M112-F197 HydrophobicContact CG-CB 4.48Å; M112-F197 HydrophobicContact CG-CD1 4.41Å; M112-F197 HydrophobicContact CG-CD2 3.95Å; M112-F197 HydrophobicContact CG-CE2 4.28Å; M112-F197 HydrophobicContact CG-CG 4.03Å; M112-F197 HydrophobicContact SD-CB 3.62Å; M112-F197 HydrophobicContact SD-CD1 4.45Å; M112-F197 HydrophobicContact SD-CD2 4.14Å; M112-F197 HydrophobicContact SD-CG 3.83Å; A193-F197 WeakPolarHBondContact O-CB 3.44Å; A193-F197 PolarHBondContact O-N 2.91Å; G194-F197 WeakPolarHBondContact O-CB 3.47Å; G194-F197 PolarHBondContact O-N 3.17Å; C195-F197 VanDerWaalsContact C-N 3.34Å; C195-F197 PolarHBondContact O-N 3.17Å; F197-M200 HydrophobicContact CD2-CE 4.32Å; F197-S201 WeakPolarHBondContact O-CB 3.4Å; F197-S201 PolarHBondContact O-N 3.01Å; F197-S201 VanDerWaalsContact O-N 3.15Å; F197-S201 PolarHBondContact O-OG 3.49Å; F197-M261 HydrophobicContact CD1-CE 3.92Å; F197-M261 HydrophobicContact CD2-CE 3.87Å; F197-M261 HydrophobicContact CE1-CE 3.71Å; F197-M261 HydrophobicContact CE1-SD 4.05Å; F197-M261 HydrophobicContact CE2-CE 3.65Å; F197-M261 HydrophobicContact CG-CE 3.99Å; F197-M261 HydrophobicContact CZ-CE 3.56Å; F197-M261 HydrophobicContact CZ-CG 4.48Å; F197-M261 HydrophobicContact CZ-SD 4.02Å; F197-G265 WeakPolarHBondContact CE1-O 3.5Å; F197-L268 HydrophobicContact CE1-CB 4.22Å; F197-L268 HydrophobicContact CE1-CD2 3.95Å; F197-L268 HydrophobicContact CE1-CG 4.1Å; F197-L268 HydrophobicContact CZ-CD2 4.43Å; F197-L269 HydrophobicContact CB-CD1 4.48Å; F197-L269 HydrophobicContact CD1-CB 3.98Å; F197-L269 HydrophobicContact CD1-CD1 4.2Å; F197-L269 HydrophobicContact CE1-CB 4.1Å; F197-L272 HydrophobicContact CD1-CD1 4.4Å; F197-Y291 HydrophobicContact CE1-CE1 4.49Å; F197-Y291 AromaticContact CE2-CE1 3.87Å; F197-Y291 HydrophobicContact CE2-CE1 3.87Å; F197-Y291 AromaticContact CE2-CZ 3.97Å; F197-Y291 HydrophobicContact CZ-CD1 4.14Å; F197-Y291 AromaticContact CZ-CE1 3.49Å; F197-Y291 HydrophobicContact CZ-CE1 3.49Å; F197-Y291 VanDerWaalsContact CZ-CE1 3.49Å; F197-Y291 HydrophobicContact CZ-CE2 4.4Å; F197-Y291 AromaticContact CZ-CZ 3.65Å
198A97Very high95Very high1 Ų116.3 Ų16.31%0.0088%0.083CC..Hα-helixtrans-64.5-42.6174.200000111.6G194 C195 I196 S201 N202 L207 V258 L269G194-A198 PolarHBondContact O-N 2.76Å; C195-A198 PolarHBondContact O-N 3.29Å; I196-A198 VanDerWaalsContact C-N 3.34Å; I196-A198 PolarHBondContact O-N 3Å; A198-S201 CarbonylContact O-C 3.51Å; A198-S201 PolarHBondContact O-N 3.24Å; A198-S201 VanDerWaalsContact O-N 3.17Å; A198-N202 VanDerWaalsContact O-CB 3.3Å; A198-N202 WeakPolarHBondContact O-CB 3.28Å; A198-N202 PolarHBondContact O-N 2.94Å; A198-L207 HydrophobicContact CB-CB 4.06Å; A198-L207 HydrophobicContact CB-CD1 4.06Å; A198-L207 HydrophobicContact CB-CD2 3.79Å; A198-L207 HydrophobicContact CB-CG 4.19Å; A198-V258 HydrophobicContact CB-CG1 4.05Å; A198-L269 HydrophobicContact CB-CD1 4.09Å; A198-L269 HydrophobicContact CB-CD2 3.95Å
199E95.5Very high95Very high3 Ų318.7 Ų18.71%0.01410%0.099CC..Hα-helixtrans-63.4-44.4178.6-175171172.300112.2F96 Y172 C195 I196 S201 N202 G204F96-E199 HydrophobicContact CD2-CG 4.45Å; F96-E199 HydrophobicContact CE2-CG 3.68Å; F96-E199 WeakPolarHBondContact CE2-OE1 3.42Å; F96-E199 HydrophobicContact CZ-CG 3.94Å; Y172-E199 WeakPolarHBondContact CE1-OE2 3.26Å; Y172-E199 PolarHBondContact OH-OE2 2.99Å; C195-E199 WeakPolarHBondContact O-CB 3.41Å; C195-E199 PolarHBondContact O-N 3.22Å; I196-E199 PolarHBondContact O-N 2.84Å; E199-S201 PolarHBondContact O-N 3.48Å; E199-N202 CarbonylContact O-C 3.56Å; E199-N202 PolarHBondContact O-N 3.03Å; E199-G204 VanDerWaalsContact CG-C 3.47Å; E199-G204 WeakPolarHBondContact O-CA 3.48Å; E199-G204 PolarHBondContact O-N 3.06Å
200M95.7Very high95Very high2 Ų218.9 Ų18.91%0.0110%0.101CC..Hα-helixtrans-58.5-37.3172.7-70.8-169.6-68.200112.1L92 F96 V108 F111 M112 I196 F197L92-M200 HydrophobicContact CD1-CG 4.32Å; L92-M200 HydrophobicContact CD1-SD 4.25Å; L92-M200 HydrophobicContact CD2-CG 3.96Å; L92-M200 HydrophobicContact CD2-SD 3.98Å; F96-M200 HydrophobicContact CE1-CB 4.23Å; F96-M200 HydrophobicContact CE1-CG 3.77Å; F96-M200 HydrophobicContact CZ-CB 4.47Å; F96-M200 HydrophobicContact CZ-CG 3.76Å; V108-M200 HydrophobicContact CG1-CB 3.97Å; V108-M200 HydrophobicContact CG2-CB 4.15Å; F111-M200 HydrophobicContact CB-CE 4.35Å; F111-M200 HydrophobicContact CB-SD 3.67Å; F111-M200 HydrophobicContact CD2-SD 4.13Å; F111-M200 HydrophobicContact CG-SD 4.44Å; M112-M200 HydrophobicContact CB-CE 4.1Å; M112-M200 HydrophobicContact SD-CE 4.14Å; I196-M200 HydrophobicContact CG2-CE 4.22Å; I196-M200 HydrophobicContact CG2-CG 4.28Å; I196-M200 HydrophobicContact CG2-SD 4.47Å; I196-M200 WeakPolarHBondContact O-CG 3.12Å; I196-M200 PolarHBondContact O-N 3.4Å; F197-M200 HydrophobicContact CD2-CE 4.32Å
201S94.2Very high94.8Very high2 Ų227.2 Ų27.21%0.01413%0.133CC..Hα-helixtrans-82.4-15.5-178-55.80000114V108 F197 A198 E199 M261V108-S201 WeakPolarHBondContact CG1-OG 3.16Å; F197-S201 WeakPolarHBondContact O-CB 3.4Å; F197-S201 PolarHBondContact O-N 3.01Å; F197-S201 VanDerWaalsContact O-N 3.15Å; F197-S201 PolarHBondContact O-OG 3.49Å; A198-S201 CarbonylContact O-C 3.51Å; A198-S201 PolarHBondContact O-N 3.24Å; A198-S201 VanDerWaalsContact O-N 3.17Å; E199-S201 PolarHBondContact O-N 3.48Å; S201-M261 WeakPolarHBondContact OG-CE 3.4Å
202N89.3Confident94.6Very high52 Ų5230.2 Ų30.228%0.27815%0.149SC..THydrogen-bonded Turntrans-128.450.5-172.4-164.533.9000111.9A198 E199 G204 R205 V257 V258A198-N202 VanDerWaalsContact O-CB 3.3Å; A198-N202 WeakPolarHBondContact O-CB 3.28Å; A198-N202 PolarHBondContact O-N 2.94Å; E199-N202 CarbonylContact O-C 3.56Å; E199-N202 PolarHBondContact O-N 3.03Å; N202-G204 PolarHBondContact O-N 3.46Å; N202-R205 WeakPolarHBondContact O-CB 3.03Å; N202-R205 PolarHBondContact O-N 3.27Å; N202-R205 VanDerWaalsContact O-N 3.17Å; N202-V257 PolarHBondContact ND2-O 3.16Å; N202-V258 HydrophobicContact CB-CG1 4.43Å
203A81Confident94.4Very high34 Ų3432.9 Ų32.928%0.28117%0.165SC..THydrogen-bonded Turntrans64.633.616800000117G101 R205G101-A203 WeakPolarHBondContact O-CA 3.27Å; G101-A203 WeakPolarHBondContact O-CB 3.45Å; A203-R205 PolarHBondContact O-N 3.35Å; A203-R205 VanDerWaalsContact O-N 3.17Å
204G85.7Confident94.2Very high11 Ų1138.1 Ų38.111%0.11319%0.194CC..THydrogen-bonded Turntrans6617.5-178.400000112.8E199 N202E199-G204 VanDerWaalsContact CG-C 3.47Å; E199-G204 WeakPolarHBondContact O-CA 3.48Å; E199-G204 PolarHBondContact O-N 3.06Å; N202-G204 PolarHBondContact O-N 3.46Å
205R90.6Very high94Very high171 Ų17139 Ų3965%0.64520%0.198SC*.  trans-89.4119.9175.4-62.4-178-176.5-176.71.7109.2N202 A203N202-R205 WeakPolarHBondContact O-CB 3.03Å; N202-R205 PolarHBondContact O-N 3.27Å; N202-R205 VanDerWaalsContact O-N 3.17Å; A203-R205 PolarHBondContact O-N 3.35Å; A203-R205 VanDerWaalsContact O-N 3.17Å
206P94.5Very high94Very high32 Ų3238.9 Ų38.921%0.20820%0.198CC..  trans-57.4140.5178.3-24.232.8000111.6W171 F208 P209W171-P206 HydrophobicContact CD2-CB 4.42Å; W171-P206 HydrophobicContact CD2-CG 4.46Å; W171-P206 HydrophobicContact CE3-CB 3.91Å; W171-P206 HydrophobicContact CE3-CG 3.57Å; W171-P206 HydrophobicContact CZ3-CB 4.45Å; W171-P206 HydrophobicContact CZ3-CG 3.64Å; P206-F208 VanDerWaalsContact C-N 3.35Å; P206-F208 PolarHBondContact O-N 3.44Å; P206-P209 HydrophobicContact CB-CB 4.32Å
207L96.3Very high93.9Very high29 Ų2939.6 Ų39.615%0.15220%0.201CC..SBendtrans-65.7-38.5-179.4-174.759.2000112.3A198 L223 V257 V273A198-L207 HydrophobicContact CB-CB 4.06Å; A198-L207 HydrophobicContact CB-CD1 4.06Å; A198-L207 HydrophobicContact CB-CD2 3.79Å; A198-L207 HydrophobicContact CB-CG 4.19Å; L207-L223 HydrophobicContact CD1-CD2 3.7Å; L207-L223 HydrophobicContact CD2-CD2 4.26Å; L207-L223 HydrophobicContact CG-CD2 4.08Å; L207-V257 HydrophobicContact CD1-CG1 3.59Å; L207-V273 HydrophobicContact CD2-CG1 4.39Å
208F97.1Very high93.8Very high2 Ų244.1 Ų44.11%0.00922%0.222CC..  trans-13379.9-176.9-52.4-62.7000110.6W171 W191 P206 G210 Q216 R219 I220 L223 L224W171-F208 WeakPolarHBondContact CA-O 3.2Å; W171-F208 WeakPolarHBondContact CB-O 3.21Å; W191-F208 HydrophobicContact CH2-CE2 4Å; W191-F208 HydrophobicContact CH2-CZ 4.38Å; W191-F208 AromaticContact CZ2-CD2 3.99Å; W191-F208 HydrophobicContact CZ2-CD2 3.99Å; W191-F208 AromaticContact CZ2-CE2 3.52Å; W191-F208 HydrophobicContact CZ2-CE2 3.52Å; W191-F208 HydrophobicContact CZ2-CZ 4.28Å; P206-F208 VanDerWaalsContact C-N 3.35Å; P206-F208 PolarHBondContact O-N 3.44Å; F208-G210 VanDerWaalsContact C-N 3.31Å; F208-G210 PolarHBondContact O-N 3Å; F208-G210 VanDerWaalsContact O-N 3.08Å; F208-Q216 PolarHBondContact O-NE2 2.99Å; F208-Q216 VanDerWaalsContact O-NE2 3.1Å; F208-Q216 PolarHBondContact O-OE1 3.29Å; F208-R219 HydrophobicContact CD1-CB 4.3Å; F208-I220 HydrophobicContact CB-CG1 4.27Å; F208-I220 HydrophobicContact CD1-CB 4.47Å; F208-I220 HydrophobicContact CD1-CG1 3.83Å; F208-I220 HydrophobicContact CD2-CG1 3.9Å; F208-I220 HydrophobicContact CE1-CB 4.36Å; F208-I220 HydrophobicContact CE1-CG1 4.04Å; F208-I220 HydrophobicContact CE2-CG1 4.12Å; F208-I220 HydrophobicContact CG-CG1 3.75Å; F208-I220 HydrophobicContact CZ-CG1 4.17Å; F208-L223 HydrophobicContact CE1-CB 3.97Å; F208-L223 HydrophobicContact CE1-CD2 3.52Å; F208-L223 HydrophobicContact CE1-CG 4.28Å; F208-L223 HydrophobicContact CZ-CD2 3.75Å; F208-L224 HydrophobicContact CZ-CG 4.5Å
209P95.8Very high93.7Very high51 Ų5148.5 Ų48.533%0.33124%0.239SC..  trans-85.369.2-179.233.9-34.5000111.2P206 R219P206-P209 HydrophobicContact CB-CB 4.32Å; P209-R219 PolarHBondContact O-NE 2.95Å
210G96.2Very high93.8Very high3 Ų348.4 Ų48.43%0.03124%0.238CC..  trans-72.8146.7175.500000113L170 W171 F208 D215L170-G210 WeakPolarHBondContact CD2-O 3.42Å; W171-G210 PolarHBondContact NE1-O 3Å; F208-G210 VanDerWaalsContact C-N 3.31Å; F208-G210 PolarHBondContact O-N 3Å; F208-G210 VanDerWaalsContact O-N 3.08Å; G210-D215 VanDerWaalsContact CA-OD2 3.26Å; G210-D215 WeakPolarHBondContact CA-OD2 3.12Å
211Y93.9Very high93.8Very high177 Ų17748.6 Ų48.669%0.69424%0.239SC*.SBendtrans-93.1-23.4174.359.9-97.2000113.7D215Y211-D215 HydrophobicContact CD1-CB 3.81Å; Y211-D215 VanDerWaalsContact CD1-CG 3.44Å; Y211-D215 WeakPolarHBondContact CD1-OD2 3.29Å; Y211-D215 HydrophobicContact CD2-CB 4.42Å; Y211-D215 HydrophobicContact CE1-CB 3.48Å; Y211-D215 VanDerWaalsContact CE1-CB 3.48Å; Y211-D215 VanDerWaalsContact CE1-OD2 3.23Å; Y211-D215 WeakPolarHBondContact CE1-OD2 3.35Å; Y211-D215 HydrophobicContact CE2-CB 4.15Å; Y211-D215 HydrophobicContact CG-CB 4.26Å; Y211-D215 PolarHBondContact N-OD2 3.02Å; Y211-D215 VanDerWaalsContact N-OD2 3.17Å
212D94.3Very high93.8Very high63 Ų6355 Ų5534%0.33727%0.266SS..SBendtrans-143.3-178170.36027.8000110.7D214 D215 Q216D212-D214 VanDerWaalsContact C-N 3.33Å; D212-D214 PolarHBondContact O-N 2.97Å; D212-D214 PolarHBondContact OD1-N 3.34Å; D212-D215 WeakPolarHBondContact OD1-CB 3.38Å; D212-D215 PolarHBondContact OD1-N 3.47Å; D212-Q216 WeakPolarHBondContact O-CB 3.28Å; D212-Q216 PolarHBondContact O-N 2.99Å
213V94.1Very high94Very high55 Ų5553.1 Ų53.133%0.33326%0.256SS..Hα-helixtrans-62.4-40.4-177.1172.90000111.7L170 L178 Q216 L217L170-V213 HydrophobicContact CD1-CG2 4.36Å; L178-V213 HydrophobicContact CB-CG1 4.31Å; L178-V213 HydrophobicContact CD2-CB 4.41Å; L178-V213 HydrophobicContact CD2-CG1 3.96Å; L178-V213 HydrophobicContact CD2-CG2 4.26Å; V213-Q216 WeakPolarHBondContact O-CB 3.1Å; V213-Q216 PolarHBondContact O-N 3.35Å; V213-L217 HydrophobicContact CG1-CD1 4.16Å; V213-L217 WeakPolarHBondContact O-CG 3.41Å; V213-L217 PolarHBondContact O-N 2.87Å
214D94.3Very high94.7Very high111 Ų11152.4 Ų52.459%0.59425%0.248SC*.Hα-helixtrans-69.4-48-177.5-67.6-22.3000111.3D212 Q216 L217 Q218D212-D214 VanDerWaalsContact C-N 3.33Å; D212-D214 PolarHBondContact O-N 2.97Å; D212-D214 PolarHBondContact OD1-N 3.34Å; D214-Q216 VanDerWaalsContact C-N 3.29Å; D214-Q216 PolarHBondContact O-N 3.43Å; D214-L217 PolarHBondContact O-N 3.35Å; D214-Q218 WeakPolarHBondContact O-CG 3.43Å; D214-Q218 PolarHBondContact O-N 3.25Å
215D95.3Very high95.2Very high18 Ų1852.1 Ų52.110%0.09625%0.245CC..Hα-helixtrans-62.6-38.2175.4-177.551.9000111.3G210 Y211 D212 Q218 R219G210-D215 VanDerWaalsContact CA-OD2 3.26Å; G210-D215 WeakPolarHBondContact CA-OD2 3.12Å; Y211-D215 HydrophobicContact CD1-CB 3.81Å; Y211-D215 VanDerWaalsContact CD1-CG 3.44Å; Y211-D215 WeakPolarHBondContact CD1-OD2 3.29Å; Y211-D215 HydrophobicContact CD2-CB 4.42Å; Y211-D215 HydrophobicContact CE1-CB 3.48Å; Y211-D215 VanDerWaalsContact CE1-CB 3.48Å; Y211-D215 VanDerWaalsContact CE1-OD2 3.23Å; Y211-D215 WeakPolarHBondContact CE1-OD2 3.35Å; Y211-D215 HydrophobicContact CE2-CB 4.15Å; Y211-D215 HydrophobicContact CG-CB 4.26Å; Y211-D215 PolarHBondContact N-OD2 3.02Å; Y211-D215 VanDerWaalsContact N-OD2 3.17Å; D212-D215 WeakPolarHBondContact OD1-CB 3.38Å; D212-D215 PolarHBondContact OD1-N 3.47Å; D215-Q218 PolarHBondContact O-N 3.37Å; D215-R219 VanDerWaalsContact CG-NE 3.33Å; D215-R219 VanDerWaalsContact O-CG 3.26Å; D215-R219 WeakPolarHBondContact O-CG 3.38Å; D215-R219 PolarHBondContact O-N 3.3Å; D215-R219 IonicContact OD1-CZ 2.68Å; D215-R219 IonicContact OD1-NE 3.74Å; D215-R219 PolarHBondContact OD1-NE 2.92Å; D215-R219 IonicContact OD1-NH2 2.93Å; D215-R219 PolarHBondContact OD1-NH2 3.45Å; D215-R219 IonicContact OD2-CZ 3.56Å; D215-R219 IonicContact OD2-NE 2.76Å; D215-R219 PolarHBondContact OD2-NE 3.06Å; D215-R219 IonicContact OD2-NH2 3.98Å; D215-R219 PolarHBondContact OD2-NH2 3.15Å
216Q96.9Very high95.4Very high0 Ų044.4 Ų44.40%022%0.217CC..Hα-helixtrans-59.7-49.3175.1-174.367.827.200111.4L170 W171 L178 F208 D212 V213 D214 R219 I220L170-Q216 HydrophobicContact CD1-CB 3.92Å; L170-Q216 HydrophobicContact CD1-CG 3.96Å; L170-Q216 HydrophobicContact CG-CB 4.17Å; L170-Q216 HydrophobicContact CG-CG 4.16Å; L170-Q216 PolarHBondContact O-NE2 3.12Å; W171-Q216 PolarHBondContact O-NE2 3.19Å; L178-Q216 HydrophobicContact CD1-CB 4.33Å; L178-Q216 HydrophobicContact CD1-CG 3.57Å; L178-Q216 HydrophobicContact CD2-CB 4.3Å; L178-Q216 HydrophobicContact CD2-CG 4.01Å; L178-Q216 HydrophobicContact CG-CG 4.47Å; F208-Q216 PolarHBondContact O-NE2 2.99Å; F208-Q216 VanDerWaalsContact O-NE2 3.1Å; F208-Q216 PolarHBondContact O-OE1 3.29Å; D212-Q216 WeakPolarHBondContact O-CB 3.28Å; D212-Q216 PolarHBondContact O-N 2.99Å; V213-Q216 WeakPolarHBondContact O-CB 3.1Å; V213-Q216 PolarHBondContact O-N 3.35Å; D214-Q216 VanDerWaalsContact C-N 3.29Å; D214-Q216 PolarHBondContact O-N 3.43Å; Q216-R219 PolarHBondContact O-N 3.48Å; Q216-I220 HydrophobicContact CG-CD1 4.17Å; Q216-I220 VanDerWaalsContact O-CG1 3.26Å; Q216-I220 WeakPolarHBondContact O-CG1 3.5Å; Q216-I220 PolarHBondContact O-N 2.98Å; Q216-I220 VanDerWaalsContact O-N 3.1Å
217L96.4Very high95.4Very high14 Ų1443.4 Ų43.47%0.07321%0.21CC..Hα-helixtrans-61.9-44.9176.7-76.8170.3000111.7P175 L178 L179 V213 D214 R219 I220 F221P175-L217 HydrophobicContact CB-CD2 4.37Å; L178-L217 HydrophobicContact CB-CD1 4.28Å; L178-L217 HydrophobicContact CB-CD2 3.7Å; L178-L217 HydrophobicContact CB-CG 3.94Å; L178-L217 HydrophobicContact CD1-CD2 3.91Å; L178-L217 HydrophobicContact CD1-CG 4.17Å; L178-L217 HydrophobicContact CG-CD2 4.43Å; L179-L217 HydrophobicContact CD2-CD1 3.78Å; L179-L217 HydrophobicContact CD2-CD2 4.43Å; L179-L217 HydrophobicContact CG-CD1 4.27Å; L179-L217 HydrophobicContact CG-CD2 4.15Å; V213-L217 HydrophobicContact CG1-CD1 4.16Å; V213-L217 WeakPolarHBondContact O-CG 3.41Å; V213-L217 PolarHBondContact O-N 2.87Å; D214-L217 PolarHBondContact O-N 3.35Å; L217-R219 VanDerWaalsContact C-N 3.34Å; L217-R219 PolarHBondContact O-N 2.81Å; L217-I220 WeakPolarHBondContact O-CB 3.49Å; L217-I220 PolarHBondContact O-N 2.99Å; L217-F221 HydrophobicContact CB-CD2 4.42Å; L217-F221 HydrophobicContact CB-CE2 3.9Å; L217-F221 HydrophobicContact CB-CZ 4.38Å; L217-F221 HydrophobicContact CD2-CE1 4.4Å; L217-F221 HydrophobicContact CD2-CE2 4.02Å; L217-F221 HydrophobicContact CD2-CZ 3.65Å; L217-F221 HydrophobicContact CG-CE2 4.47Å; L217-F221 VanDerWaalsContact O-CD2 3.24Å; L217-F221 WeakPolarHBondContact O-CD2 3.47Å; L217-F221 VanDerWaalsContact O-CG 3.26Å; L217-F221 WeakPolarHBondContact O-CG 3.18Å; L217-F221 PolarHBondContact O-N 3.15Å
218Q95Very high95.1Very high95 Ų9544.5 Ų44.544%0.44422%0.218SC..Hα-helixtrans-60-42.5178.3-73.8-168.88.100112.5D214 D215 I220 F221 K222D214-Q218 WeakPolarHBondContact O-CG 3.43Å; D214-Q218 PolarHBondContact O-N 3.25Å; D215-Q218 PolarHBondContact O-N 3.37Å; Q218-I220 VanDerWaalsContact C-N 3.34Å; Q218-I220 PolarHBondContact O-N 2.78Å; Q218-F221 PolarHBondContact O-N 3.08Å; Q218-K222 WeakPolarHBondContact O-CB 3.47Å; Q218-K222 PolarHBondContact O-N 3.06Å
219R95.7Very high94.6Very high94 Ų9451.5 Ų51.536%0.35525%0.251SS..Hα-helixtrans-62.5-42175.8-72.5170.6-172-81.4-5.9112.1F208 P209 D215 Q216 L217 L223F208-R219 HydrophobicContact CD1-CB 4.3Å; P209-R219 PolarHBondContact O-NE 2.95Å; D215-R219 VanDerWaalsContact CG-NE 3.33Å; D215-R219 VanDerWaalsContact O-CG 3.26Å; D215-R219 WeakPolarHBondContact O-CG 3.38Å; D215-R219 PolarHBondContact O-N 3.3Å; D215-R219 IonicContact OD1-CZ 2.68Å; D215-R219 IonicContact OD1-NE 3.74Å; D215-R219 PolarHBondContact OD1-NE 2.92Å; D215-R219 IonicContact OD1-NH2 2.93Å; D215-R219 PolarHBondContact OD1-NH2 3.45Å; D215-R219 IonicContact OD2-CZ 3.56Å; D215-R219 IonicContact OD2-NE 2.76Å; D215-R219 PolarHBondContact OD2-NE 3.06Å; D215-R219 IonicContact OD2-NH2 3.98Å; D215-R219 PolarHBondContact OD2-NH2 3.15Å; Q216-R219 PolarHBondContact O-N 3.48Å; L217-R219 VanDerWaalsContact C-N 3.34Å; L217-R219 PolarHBondContact O-N 2.81Å; R219-L223 PolarHBondContact O-N 3.12Å
220I96.8Very high94.4Very high0 Ų054.1 Ų54.10%027%0.271CS..Hα-helixtrans-61.2-52.7177.2-69.1166.6000110.1P175 L178 W191 F208 Q216 L217 Q218 K222 L223 L224P175-I220 HydrophobicContact CG-CD1 4.16Å; P175-I220 HydrophobicContact CG-CG2 3.88Å; L178-I220 HydrophobicContact CD1-CD1 3.66Å; W191-I220 HydrophobicContact CH2-CD1 4.31Å; W191-I220 HydrophobicContact CH2-CG1 4.3Å; W191-I220 HydrophobicContact CH2-CG2 3.63Å; W191-I220 HydrophobicContact CZ2-CD1 3.69Å; W191-I220 HydrophobicContact CZ2-CG1 3.9Å; W191-I220 HydrophobicContact CZ2-CG2 4.1Å; F208-I220 HydrophobicContact CB-CG1 4.27Å; F208-I220 HydrophobicContact CD1-CB 4.47Å; F208-I220 HydrophobicContact CD1-CG1 3.83Å; F208-I220 HydrophobicContact CD2-CG1 3.9Å; F208-I220 HydrophobicContact CE1-CB 4.36Å; F208-I220 HydrophobicContact CE1-CG1 4.04Å; F208-I220 HydrophobicContact CE2-CG1 4.12Å; F208-I220 HydrophobicContact CG-CG1 3.75Å; F208-I220 HydrophobicContact CZ-CG1 4.17Å; Q216-I220 HydrophobicContact CG-CD1 4.17Å; Q216-I220 VanDerWaalsContact O-CG1 3.26Å; Q216-I220 WeakPolarHBondContact O-CG1 3.5Å; Q216-I220 PolarHBondContact O-N 2.98Å; Q216-I220 VanDerWaalsContact O-N 3.1Å; L217-I220 WeakPolarHBondContact O-CB 3.49Å; L217-I220 PolarHBondContact O-N 2.99Å; Q218-I220 VanDerWaalsContact C-N 3.34Å; Q218-I220 PolarHBondContact O-N 2.78Å; I220-K222 VanDerWaalsContact C-N 3.32Å; I220-K222 PolarHBondContact O-N 3.34Å; I220-L223 PolarHBondContact O-N 3.34Å; I220-L223 VanDerWaalsContact O-N 3.13Å; I220-L224 HydrophobicContact CG2-CD1 3.78Å; I220-L224 HydrophobicContact CG2-CG 4.3Å; I220-L224 WeakPolarHBondContact O-CB 3.4Å; I220-L224 WeakPolarHBondContact O-CG 3.26Å; I220-L224 PolarHBondContact O-N 3.35Å
221F95.9Very high94.3Very high6 Ų657.1 Ų57.13%0.02629%0.288CS..Hα-helixtrans-68.8-31.8-176.6-57.8-29.3000112.8P175 L217 Q218 L223 G225 P227 F244 Y248P175-F221 HydrophobicContact CB-CE1 4.45Å; L217-F221 HydrophobicContact CB-CD2 4.42Å; L217-F221 HydrophobicContact CB-CE2 3.9Å; L217-F221 HydrophobicContact CB-CZ 4.38Å; L217-F221 HydrophobicContact CD2-CE1 4.4Å; L217-F221 HydrophobicContact CD2-CE2 4.02Å; L217-F221 HydrophobicContact CD2-CZ 3.65Å; L217-F221 HydrophobicContact CG-CE2 4.47Å; L217-F221 VanDerWaalsContact O-CD2 3.24Å; L217-F221 WeakPolarHBondContact O-CD2 3.47Å; L217-F221 VanDerWaalsContact O-CG 3.26Å; L217-F221 WeakPolarHBondContact O-CG 3.18Å; L217-F221 PolarHBondContact O-N 3.15Å; Q218-F221 PolarHBondContact O-N 3.08Å; F221-L223 PolarHBondContact O-N 3.1Å; F221-G225 CarbonylContact O-C 3.45Å; F221-G225 VanDerWaalsContact O-C 3.27Å; F221-G225 WeakPolarHBondContact O-CA 3.15Å; F221-G225 PolarHBondContact O-N 2.81Å; F221-P227 VanDerWaalsContact CD1-CD 3.44Å; F221-P227 HydrophobicContact CD1-CG 4.13Å; F221-P227 HydrophobicContact CE1-CG 3.63Å; F221-P227 HydrophobicContact CZ-CG 4.18Å; F221-F244 HydrophobicContact CD2-CD1 4.28Å; F221-F244 HydrophobicContact CD2-CE1 4.2Å; F221-F244 AromaticContact CE2-CD1 3.76Å; F221-F244 HydrophobicContact CE2-CD1 3.76Å; F221-F244 AromaticContact CE2-CE1 3.26Å; F221-F244 HydrophobicContact CE2-CE1 3.26Å; F221-F244 HydrophobicContact CE2-CE2 4.34Å; F221-F244 AromaticContact CE2-CZ 3.58Å; F221-F244 HydrophobicContact CE2-CZ 3.58Å; F221-F244 AromaticContact CZ-CE1 3.8Å; F221-F244 HydrophobicContact CZ-CE1 3.8Å; F221-F244 HydrophobicContact CZ-CE2 4.43Å; F221-F244 AromaticContact CZ-CZ 3.66Å; F221-F244 HydrophobicContact CZ-CZ 3.66Å; F221-Y248 HydrophobicContact CB-CD2 3.84Å; F221-Y248 HydrophobicContact CB-CE2 4.46Å; F221-Y248 WeakPolarHBondContact O-CB 3.41Å
222K94.4Very high94.4Very high137 Ų13748.8 Ų48.860%0.59626%0.256SS*.Hα-helixtrans-59.4-34.9172.6-174.2173.7-177.2175.50112.6Q218 I220 Y248Q218-K222 WeakPolarHBondContact O-CB 3.47Å; Q218-K222 PolarHBondContact O-N 3.06Å; I220-K222 VanDerWaalsContact C-N 3.32Å; I220-K222 PolarHBondContact O-N 3.34Å; K222-Y248 HydrophobicContact CB-CD1 4.18Å; K222-Y248 HydrophobicContact CB-CE1 4.16Å; K222-Y248 HydrophobicContact CB-CE2 4.49Å; K222-Y248 HydrophobicContact CB-CG 4.36Å; K222-Y248 HydrophobicContact CG-CD1 4.19Å; K222-Y248 HydrophobicContact CG-CE1 4.12Å
223L94.9Very high94.4Very high12 Ų1249.7 Ų49.76%0.06327%0.265CS..Hα-helixtrans-86.1-46.4177.9176.657.2000112.6L207 F208 R219 I220 F221 M252 W254 V257L207-L223 HydrophobicContact CD1-CD2 3.7Å; L207-L223 HydrophobicContact CD2-CD2 4.26Å; L207-L223 HydrophobicContact CG-CD2 4.08Å; F208-L223 HydrophobicContact CE1-CB 3.97Å; F208-L223 HydrophobicContact CE1-CD2 3.52Å; F208-L223 HydrophobicContact CE1-CG 4.28Å; F208-L223 HydrophobicContact CZ-CD2 3.75Å; R219-L223 PolarHBondContact O-N 3.12Å; I220-L223 PolarHBondContact O-N 3.34Å; I220-L223 VanDerWaalsContact O-N 3.13Å; F221-L223 PolarHBondContact O-N 3.1Å; L223-M252 HydrophobicContact CB-SD 4.25Å; L223-M252 HydrophobicContact CD1-CB 3.92Å; L223-M252 HydrophobicContact CD1-CE 3.98Å; L223-M252 HydrophobicContact CD1-CG 3.59Å; L223-M252 HydrophobicContact CD1-SD 3.3Å; L223-M252 WeakPolarHBondContact CD1-SD 3.33Å; L223-M252 HydrophobicContact CG-SD 4.36Å; L223-W254 HydrophobicContact CD1-CH2 4.38Å; L223-W254 HydrophobicContact CD1-CZ2 4.47Å; L223-W254 HydrophobicContact CD2-CH2 3.69Å; L223-W254 HydrophobicContact CD2-CZ2 4.41Å; L223-W254 HydrophobicContact CD2-CZ3 3.92Å; L223-W254 HydrophobicContact CG-CH2 4.07Å; L223-W254 HydrophobicContact CG-CZ2 4.31Å; L223-V257 HydrophobicContact CD1-CG1 4.44Å; L223-V257 HydrophobicContact CD1-CG2 3.58Å; L223-V257 HydrophobicContact CD2-CG1 4.29Å
224L95.6Very high94.4Very high19 Ų1949.4 Ų49.410%0.09927%0.265CS..Hα-helixtrans-93-10.7-169.8-57.1-173.3000114.2W191 F208 I220 R250 W254 V273W191-L224 HydrophobicContact CH2-CD1 3.52Å; W191-L224 HydrophobicContact CZ3-CD1 3.77Å; F208-L224 HydrophobicContact CZ-CG 4.5Å; I220-L224 HydrophobicContact CG2-CD1 3.78Å; I220-L224 HydrophobicContact CG2-CG 4.3Å; I220-L224 WeakPolarHBondContact O-CB 3.4Å; I220-L224 WeakPolarHBondContact O-CG 3.26Å; I220-L224 PolarHBondContact O-N 3.35Å; L224-R250 WeakPolarHBondContact O-CG 3.3Å; L224-W254 HydrophobicContact CD2-CH2 3.79Å; L224-W254 HydrophobicContact CD2-CZ2 3.44Å; L224-W254 VanDerWaalsContact CD2-CZ2 3.44Å; L224-V273 WeakPolarHBondContact CD1-O 3.39Å; L224-V273 HydrophobicContact CD2-CG2 4.08Å
225G95Very high94.4Very high6 Ų644.2 Ų44.26%0.06224%0.238CC..  trans84.8150.5-164.200000111.7F221 Y248F221-G225 CarbonylContact O-C 3.45Å; F221-G225 VanDerWaalsContact O-C 3.27Å; F221-G225 WeakPolarHBondContact O-CA 3.15Å; F221-G225 PolarHBondContact O-N 2.81Å; G225-Y248 VanDerWaalsContact CA-O 3.24Å; G225-Y248 WeakPolarHBondContact CA-O 3.49Å
226T95.5Very high94.3Very high9 Ų946.6 Ų46.66%0.05525%0.253CS..  trans-71.3130.7174.8-55.20000109.5T228 F244 V246 M247 Y248T226-T228 PolarHBondContact O-N 2.96Å; T226-F244 HydrophobicContact CG2-CB 3.77Å; T226-F244 HydrophobicContact CG2-CD2 3.23Å; T226-F244 HydrophobicContact CG2-CE2 3.95Å; T226-F244 HydrophobicContact CG2-CG 3.62Å; T226-V246 PolarHBondContact OG1-O 2.89Å; T226-M247 HydrophobicContact CG2-CE 4.19Å; T226-M247 HydrophobicContact CG2-SD 3.66Å; T226-Y248 PolarHBondContact N-O 3.05Å; T226-Y248 PolarHBondContact OG1-N 3.06Å
227P93.9Very high94.1Very high10 Ų1054 Ų547%0.06529%0.288CS..  trans-56.2136.1175.9-24.533000111.9F221 W232 V235 C275F221-P227 VanDerWaalsContact CD1-CD 3.44Å; F221-P227 HydrophobicContact CD1-CG 4.13Å; F221-P227 HydrophobicContact CE1-CG 3.63Å; F221-P227 HydrophobicContact CZ-CG 4.18Å; P227-W232 HydrophobicContact CB-CB 4.13Å; P227-W232 HydrophobicContact CB-CE3 3.93Å; P227-W232 HydrophobicContact CG-CE3 3.84Å; P227-W232 HydrophobicContact CG-CZ3 4.3Å; P227-V235 HydrophobicContact CB-CG2 4.42Å; P227-C275 HydrophobicContact CG-CB 4.13Å
228T90.5Very high94Very high53 Ų5354.7 Ų54.733%0.32529%0.291SS..  trans-113.7165.717066.20000109.7T226 S230 T231 W232 M247T226-T228 PolarHBondContact O-N 2.96Å; T228-S230 PolarHBondContact O-N 2.86Å; T228-S230 PolarHBondContact OG1-N 3.22Å; T228-S230 PolarHBondContact OG1-OG 3.41Å; T228-T231 PolarHBondContact N-OG1 3.49Å; T228-T231 PolarHBondContact O-N 3.32Å; T228-T231 PolarHBondContact O-OG1 3.48Å; T228-T231 PolarHBondContact OG1-N 3.37Å; T228-T231 PolarHBondContact OG1-OG1 3.15Å; T228-W232 PolarHBondContact O-N 2.95Å; T228-M247 HydrophobicContact CG2-CE 4.15Å
229E87.1Confident93.9Very high149 Ų14954 Ų5470%0.69630%0.295SS*.THydrogen-bonded Turntrans-54.4-26.9172.8-67.6-177.5-177.400113P233E229-P233 VanDerWaalsContact O-CA 3.27Å; E229-P233 WeakPolarHBondContact O-CA 3.39Å; E229-P233 VanDerWaalsContact O-CG 3.26Å; E229-P233 WeakPolarHBondContact O-CG 3.31Å
230S91.3Very high93.8Very high106 Ų10654.3 Ų54.374%0.74130%0.303SS*.THydrogen-bonded Turntrans-75.9-32.4176.871.90000113.7T228T228-S230 PolarHBondContact O-N 2.86Å; T228-S230 PolarHBondContact OG1-N 3.22Å; T228-S230 PolarHBondContact OG1-OG 3.41Å
231T93.4Very high93.7Very high65 Ų6557.4 Ų57.440%0.39932%0.315SS..THydrogen-bonded Turntrans-96.8-24.1-176.153.40000112.9T228T228-T231 PolarHBondContact N-OG1 3.49Å; T228-T231 PolarHBondContact O-N 3.32Å; T228-T231 PolarHBondContact O-OG1 3.48Å; T228-T231 PolarHBondContact OG1-N 3.37Å; T228-T231 PolarHBondContact OG1-OG1 3.15Å
232W95.7Very high93.4Very high3 Ų364.4 Ų64.41%0.01135%0.348CS..  trans-153.480.8176.8-170.3-2.5000109.6P175 D176 L179 P227 T228 S234 V235 L238 C275 N276 P277P175-W232 HydrophobicContact CB-CH2 4.03Å; P175-W232 HydrophobicContact CB-CZ3 3.79Å; D176-W232 HydrophobicContact CB-CH2 3.75Å; D176-W232 HydrophobicContact CB-CZ2 3.69Å; L179-W232 HydrophobicContact CD1-CH2 4.06Å; L179-W232 HydrophobicContact CD1-CZ3 4.1Å; P227-W232 HydrophobicContact CB-CB 4.13Å; P227-W232 HydrophobicContact CB-CE3 3.93Å; P227-W232 HydrophobicContact CG-CE3 3.84Å; P227-W232 HydrophobicContact CG-CZ3 4.3Å; T228-W232 PolarHBondContact O-N 2.95Å; W232-S234 VanDerWaalsContact C-N 3.27Å; W232-S234 PolarHBondContact NE1-OG 2.9Å; W232-S234 PolarHBondContact O-N 3.19Å; W232-V235 HydrophobicContact CB-CB 4.16Å; W232-V235 HydrophobicContact CD2-CB 3.66Å; W232-V235 HydrophobicContact CD2-CG2 3.83Å; W232-V235 HydrophobicContact CE3-CB 3.96Å; W232-V235 HydrophobicContact CE3-CG2 3.63Å; W232-V235 HydrophobicContact CG-CB 3.75Å; W232-V235 HydrophobicContact CG-CG2 4.42Å; W232-V235 HydrophobicContact CH2-CG2 4.25Å; W232-V235 HydrophobicContact CZ2-CG2 4.47Å; W232-V235 HydrophobicContact CZ3-CG2 3.84Å; W232-V235 WeakPolarHBondContact O-CB 3.4Å; W232-V235 VanDerWaalsContact O-CG1 3.27Å; W232-V235 WeakPolarHBondContact O-CG1 3.16Å; W232-V235 PolarHBondContact O-N 3.12Å; W232-V235 VanDerWaalsContact O-N 3.13Å; W232-L238 HydrophobicContact CH2-CD1 3.66Å; W232-L238 HydrophobicContact CZ2-CD1 3.47Å; W232-L238 VanDerWaalsContact CZ2-CD1 3.47Å; W232-C275 HydrophobicContact CE3-CB 3.91Å; W232-C275 HydrophobicContact CZ3-CB 4.1Å; W232-N276 HydrophobicContact CB-CB 4.06Å; W232-N276 HydrophobicContact CD2-CB 4.29Å; W232-N276 HydrophobicContact CG-CB 3.85Å; W232-P277 HydrophobicContact CZ2-CG 4.5Å
233P94.6Very high93.1Very high82 Ų8262.7 Ų62.753%0.53235%0.351SS..G310 helixtrans-56.2-38.3-173.9-24.530.7000114E229 V235E229-P233 VanDerWaalsContact O-CA 3.27Å; E229-P233 WeakPolarHBondContact O-CA 3.39Å; E229-P233 VanDerWaalsContact O-CG 3.26Å; E229-P233 WeakPolarHBondContact O-CG 3.31Å; P233-V235 VanDerWaalsContact C-N 3.33Å; P233-V235 PolarHBondContact O-N 2.99Å
234S93.5Very high92.6Very high48 Ų4864.3 Ų64.334%0.33636%0.358SS..G310 helixtrans-86.66.9-177.356.70000114.7W232 V236 E237W232-S234 VanDerWaalsContact C-N 3.27Å; W232-S234 PolarHBondContact NE1-OG 2.9Å; W232-S234 PolarHBondContact O-N 3.19Å; S234-V236 PolarHBondContact O-N 3.49Å; S234-E237 WeakPolarHBondContact O-CB 3.17Å; S234-E237 PolarHBondContact O-N 3.42Å; S234-E237 VanDerWaalsContact O-N 3.07Å
235V94.3Very high92Very high3 Ų369.8 Ų69.82%0.01839%0.392CS..G310 helixtrans-60.4-34.7-179.171.80000112L179 P227 W232 P233 E237 L238 Y241L179-V235 HydrophobicContact CD1-CG2 3.91Å; P227-V235 HydrophobicContact CB-CG2 4.42Å; W232-V235 HydrophobicContact CB-CB 4.16Å; W232-V235 HydrophobicContact CD2-CB 3.66Å; W232-V235 HydrophobicContact CD2-CG2 3.83Å; W232-V235 HydrophobicContact CE3-CB 3.96Å; W232-V235 HydrophobicContact CE3-CG2 3.63Å; W232-V235 HydrophobicContact CG-CB 3.75Å; W232-V235 HydrophobicContact CG-CG2 4.42Å; W232-V235 HydrophobicContact CH2-CG2 4.25Å; W232-V235 HydrophobicContact CZ2-CG2 4.47Å; W232-V235 HydrophobicContact CZ3-CG2 3.84Å; W232-V235 WeakPolarHBondContact O-CB 3.4Å; W232-V235 VanDerWaalsContact O-CG1 3.27Å; W232-V235 WeakPolarHBondContact O-CG1 3.16Å; W232-V235 PolarHBondContact O-N 3.12Å; W232-V235 VanDerWaalsContact O-N 3.13Å; P233-V235 VanDerWaalsContact C-N 3.33Å; P233-V235 PolarHBondContact O-N 2.99Å; V235-E237 PolarHBondContact O-N 3.48Å; V235-L238 HydrophobicContact CG2-CD1 4.22Å; V235-L238 WeakPolarHBondContact O-CB 3.39Å; V235-L238 WeakPolarHBondContact O-CG 3.49Å; V235-L238 PolarHBondContact O-N 3.18Å; V235-Y241 HydrophobicContact CG1-CE2 4.12Å; V235-Y241 HydrophobicContact CG2-CD2 3.99Å; V235-Y241 HydrophobicContact CG2-CE2 4.14Å; V235-Y241 WeakPolarHBondContact O-CD2 3.49Å
236V93Very high91.7Very high68 Ų6872.6 Ų72.641%0.41241%0.408SS..G310 helixtrans-70.3-13.6179.7-57.80000113.4S234 Y241S234-V236 PolarHBondContact O-N 3.49Å; V236-Y241 HydrophobicContact CB-CD1 4.29Å; V236-Y241 HydrophobicContact CB-CE1 4.1Å; V236-Y241 HydrophobicContact CG1-CD1 4.45Å; V236-Y241 HydrophobicContact CG1-CE1 3.8Å
237E93.3Very high91.5Very high156 Ų15677.7 Ų77.773%0.72943%0.433SS*.G310 helixtrans-89.4-5.3179.6-56.3177.1175.800112.3S234 V235S234-E237 WeakPolarHBondContact O-CB 3.17Å; S234-E237 PolarHBondContact O-N 3.42Å; S234-E237 VanDerWaalsContact O-N 3.07Å; V235-E237 PolarHBondContact O-N 3.48Å
238L93.9Very high91.4Very high28 Ų2880 Ų8015%0.14744%0.441CS..SBendtrans-75.4140.3-176.9-66.5172.9000111.4L179 A181 W232 V235 D240 Y241L179-L238 HydrophobicContact CB-CB 4.03Å; L179-L238 HydrophobicContact CB-CD1 3.59Å; L179-L238 HydrophobicContact CB-CG 4.43Å; L179-L238 HydrophobicContact CD1-CD1 3.77Å; L179-L238 HydrophobicContact CG-CD1 4.34Å; L179-L238 WeakPolarHBondContact O-CB 3.14Å; A181-L238 HydrophobicContact CB-CD2 3.81Å; W232-L238 HydrophobicContact CH2-CD1 3.66Å; W232-L238 HydrophobicContact CZ2-CD1 3.47Å; W232-L238 VanDerWaalsContact CZ2-CD1 3.47Å; V235-L238 HydrophobicContact CG2-CD1 4.22Å; V235-L238 WeakPolarHBondContact O-CB 3.39Å; V235-L238 WeakPolarHBondContact O-CG 3.49Å; V235-L238 PolarHBondContact O-N 3.18Å; L238-D240 VanDerWaalsContact C-N 3.28Å; L238-D240 PolarHBondContact O-N 3.4Å; L238-Y241 WeakPolarHBondContact O-CB 3.29Å; L238-Y241 PolarHBondContact O-N 3.22Å; L238-Y241 VanDerWaalsContact O-N 3.1Å
239P94.2Very high91.5Very high81 Ų8181.4 Ų81.453%0.52645%0.45SS..THydrogen-bonded Turntrans-57.5-36-170.8-29.337.4000115.4G180G180-P239 WeakPolarHBondContact O-CG 3.29Å
240D93.8Very high91.4Very high99 Ų9982.8 Ų82.853%0.52945%0.449SS..THydrogen-bonded Turntrans-107.722.8-175.8-51-36.4000110.7L179 G180 L238 E242L179-D240 PolarHBondContact O-N 2.68Å; G180-D240 WeakPolarHBondContact CA-OD2 3.27Å; L238-D240 VanDerWaalsContact C-N 3.28Å; L238-D240 PolarHBondContact O-N 3.4Å; D240-E242 PolarHBondContact O-N 2.77Å
241Y93.4Very high90.9Very high65 Ų6583.1 Ų83.126%0.25545%0.447SS..  trans-73.8124.8175.3174.7-95.7000111.4V235 V236 L238 F244V235-Y241 HydrophobicContact CG1-CE2 4.12Å; V235-Y241 HydrophobicContact CG2-CD2 3.99Å; V235-Y241 HydrophobicContact CG2-CE2 4.14Å; V235-Y241 WeakPolarHBondContact O-CD2 3.49Å; V236-Y241 HydrophobicContact CB-CD1 4.29Å; V236-Y241 HydrophobicContact CB-CE1 4.1Å; V236-Y241 HydrophobicContact CG1-CD1 4.45Å; V236-Y241 HydrophobicContact CG1-CE1 3.8Å; L238-Y241 WeakPolarHBondContact O-CB 3.29Å; L238-Y241 PolarHBondContact O-N 3.22Å; L238-Y241 VanDerWaalsContact O-N 3.1Å; Y241-F244 HydrophobicContact CD2-CE2 4.42Å; Y241-F244 HydrophobicContact CD2-CZ 4.17Å; Y241-F244 HydrophobicContact CE2-CD2 4.29Å; Y241-F244 AromaticContact CE2-CE2 3.71Å; Y241-F244 HydrophobicContact CE2-CE2 3.71Å; Y241-F244 AromaticContact CE2-CZ 3.9Å; Y241-F244 HydrophobicContact CE2-CZ 3.9Å
242E90.9Very high90.4Very high153 Ų15384 Ų8472%0.71545%0.448SS*.  trans-120.3146.4164.2-64.1-168.6167.400109.8D240 F244D240-E242 PolarHBondContact O-N 2.77Å; E242-F244 PolarHBondContact O-N 3.21Å; E242-F244 VanDerWaalsContact O-N 3.12Å
243P86.9Confident90.1Very high102 Ų10288 Ų8866%0.66247%0.469SS*.  trans-53.9120.4175.1-25.434.2000111.6T245P243-T245 PolarHBondContact O-N 3.1Å
244F84Confident90Very high45 Ų4585 Ų8520%0.19745%0.447CS..  trans-63.5122.7-178.1-55.2-61.7000111L179 F221 T226 Y241 E242 V246L179-F244 HydrophobicContact CD1-CZ 4.32Å; L179-F244 HydrophobicContact CD2-CE1 4.36Å; L179-F244 HydrophobicContact CD2-CZ 4.48Å; F221-F244 HydrophobicContact CD2-CD1 4.28Å; F221-F244 HydrophobicContact CD2-CE1 4.2Å; F221-F244 AromaticContact CE2-CD1 3.76Å; F221-F244 HydrophobicContact CE2-CD1 3.76Å; F221-F244 AromaticContact CE2-CE1 3.26Å; F221-F244 HydrophobicContact CE2-CE1 3.26Å; F221-F244 HydrophobicContact CE2-CE2 4.34Å; F221-F244 AromaticContact CE2-CZ 3.58Å; F221-F244 HydrophobicContact CE2-CZ 3.58Å; F221-F244 AromaticContact CZ-CE1 3.8Å; F221-F244 HydrophobicContact CZ-CE1 3.8Å; F221-F244 HydrophobicContact CZ-CE2 4.43Å; F221-F244 AromaticContact CZ-CZ 3.66Å; F221-F244 HydrophobicContact CZ-CZ 3.66Å; T226-F244 HydrophobicContact CG2-CB 3.77Å; T226-F244 HydrophobicContact CG2-CD2 3.23Å; T226-F244 HydrophobicContact CG2-CE2 3.95Å; T226-F244 HydrophobicContact CG2-CG 3.62Å; Y241-F244 HydrophobicContact CD2-CE2 4.42Å; Y241-F244 HydrophobicContact CD2-CZ 4.17Å; Y241-F244 HydrophobicContact CE2-CD2 4.29Å; Y241-F244 AromaticContact CE2-CE2 3.71Å; Y241-F244 HydrophobicContact CE2-CE2 3.71Å; Y241-F244 AromaticContact CE2-CZ 3.9Å; Y241-F244 HydrophobicContact CE2-CZ 3.9Å; E242-F244 PolarHBondContact O-N 3.21Å; E242-F244 VanDerWaalsContact O-N 3.12Å; F244-V246 VanDerWaalsContact C-N 3.3Å; F244-V246 PolarHBondContact O-N 2.98Å
245T84.2Confident90Very high135 Ų13587.2 Ų87.283%0.82845%0.452SS*.SBendtrans-73.6-23.5179.454.60000112.9P243P243-T245 PolarHBondContact O-N 3.1Å
246V88.2Confident89.9Confident64 Ų6494.1 Ų94.139%0.38848%0.484SS..SBendtrans-119.8121.6179.1-174.60000110T226 F244 Y248T226-V246 PolarHBondContact OG1-O 2.89Å; F244-V246 VanDerWaalsContact C-N 3.3Å; F244-V246 PolarHBondContact O-N 2.98Å; V246-Y248 HydrophobicContact CB-CE2 4.04Å; V246-Y248 HydrophobicContact CG1-CD1 4.29Å; V246-Y248 HydrophobicContact CG1-CD2 4.18Å; V246-Y248 HydrophobicContact CG1-CE1 3.76Å; V246-Y248 HydrophobicContact CG1-CE2 3.65Å; V246-Y248 HydrophobicContact CG1-CG 4.49Å; V246-Y248 VanDerWaalsContact CG1-CZ 3.42Å
247M90.7Very high89.8Confident117 Ų11791.7 Ų91.758%0.57647%0.47SS*.  trans-97.2114.2174.9-63.8-60.7-73.900109.9T226 T228T226-M247 HydrophobicContact CG2-CE 4.19Å; T226-M247 HydrophobicContact CG2-SD 3.66Å; T228-M247 HydrophobicContact CG2-CE 4.15Å
248Y93.3Very high89.9Confident58 Ų5884.3 Ų84.323%0.22744%0.435CS..  trans-96.4131.3174.4-62.9-76.1000110F221 K222 G225 T226 V246F221-Y248 HydrophobicContact CB-CD2 3.84Å; F221-Y248 HydrophobicContact CB-CE2 4.46Å; F221-Y248 WeakPolarHBondContact O-CB 3.41Å; K222-Y248 HydrophobicContact CB-CD1 4.18Å; K222-Y248 HydrophobicContact CB-CE1 4.16Å; K222-Y248 HydrophobicContact CB-CE2 4.49Å; K222-Y248 HydrophobicContact CB-CG 4.36Å; K222-Y248 HydrophobicContact CG-CD1 4.19Å; K222-Y248 HydrophobicContact CG-CE1 4.12Å; G225-Y248 VanDerWaalsContact CA-O 3.24Å; G225-Y248 WeakPolarHBondContact CA-O 3.49Å; T226-Y248 PolarHBondContact N-O 3.05Å; T226-Y248 PolarHBondContact OG1-N 3.06Å; V246-Y248 HydrophobicContact CB-CE2 4.04Å; V246-Y248 HydrophobicContact CG1-CD1 4.29Å; V246-Y248 HydrophobicContact CG1-CD2 4.18Å; V246-Y248 HydrophobicContact CG1-CE1 3.76Å; V246-Y248 HydrophobicContact CG1-CE2 3.65Å; V246-Y248 HydrophobicContact CG1-CG 4.49Å; V246-Y248 VanDerWaalsContact CG1-CZ 3.42Å
249P91.4Very high89.9Confident82 Ų8286 Ų8653%0.53245%0.448SS..  trans-77.2152.1175.133.9-35.9000110.8T251P249-T251 HydrophobicContact CB-CG2 3.91Å; P249-T251 HydrophobicContact CG-CG2 4.17Å; P249-T251 PolarHBondContact O-N 2.85Å
250R85.2Confident89.8Confident178 Ų17886.5 Ų86.567%0.67244%0.442SS*.SBendtrans-80.963.9174.5-168.3173.5-178.2-1672.4111.2L224L224-R250 WeakPolarHBondContact O-CG 3.3Å
251T81.3Confident89.8Confident114 Ų11482 Ų8270%0.69942%0.418SS*.  trans-114.2-3.2-174.553.50000114.1P249 N253P249-T251 HydrophobicContact CB-CG2 3.91Å; P249-T251 HydrophobicContact CG-CG2 4.17Å; P249-T251 PolarHBondContact O-N 2.85Å; T251-N253 PolarHBondContact O-N 3.32Å
252M82.6Confident89.9Confident83 Ų8381.5 Ų81.541%0.40942%0.424SS..  trans-68.6129.6-173.7-162.8149.717700111.5L223 W254 V257L223-M252 HydrophobicContact CB-SD 4.25Å; L223-M252 HydrophobicContact CD1-CB 3.92Å; L223-M252 HydrophobicContact CD1-CE 3.98Å; L223-M252 HydrophobicContact CD1-CG 3.59Å; L223-M252 HydrophobicContact CD1-SD 3.3Å; L223-M252 WeakPolarHBondContact CD1-SD 3.33Å; L223-M252 HydrophobicContact CG-SD 4.36Å; M252-W254 PolarHBondContact O-N 3.43Å; M252-V257 HydrophobicContact CE-CG2 3.55Å; M252-V257 HydrophobicContact CG-CG2 4.09Å; M252-V257 HydrophobicContact SD-CG2 4.34Å
253N88.8Confident90.1Very high87 Ų8781.9 Ų81.947%0.46542%0.423SS..  trans-81.8111.1177.8-175.1-15.2000109.8T251 H255 Q256T251-N253 PolarHBondContact O-N 3.32Å; N253-H255 PolarHBondContact O-N 3.11Å; N253-H255 WeakPolarHBondContact OD1-CB 3.26Å; N253-H255 PolarHBondContact OD1-N 2.93Å; N253-Q256 HydrophobicContact CB-CG 4.28Å; N253-Q256 WeakPolarHBondContact O-CB 3.5Å; N253-Q256 PolarHBondContact O-N 2.83Å
254W93.2Very high90.6Very high18 Ų1882.2 Ų82.27%0.06841%0.411CS..Hα-helixtrans-58.1-21.5177.8-74.996.2000114.3L223 L224 M252 Q256 V257 V258 R266 L269 Q270 V273L223-W254 HydrophobicContact CD1-CH2 4.38Å; L223-W254 HydrophobicContact CD1-CZ2 4.47Å; L223-W254 HydrophobicContact CD2-CH2 3.69Å; L223-W254 HydrophobicContact CD2-CZ2 4.41Å; L223-W254 HydrophobicContact CD2-CZ3 3.92Å; L223-W254 HydrophobicContact CG-CH2 4.07Å; L223-W254 HydrophobicContact CG-CZ2 4.31Å; L224-W254 HydrophobicContact CD2-CH2 3.79Å; L224-W254 HydrophobicContact CD2-CZ2 3.44Å; L224-W254 VanDerWaalsContact CD2-CZ2 3.44Å; M252-W254 PolarHBondContact O-N 3.43Å; W254-Q256 PolarHBondContact O-N 3.15Å; W254-V257 HydrophobicContact CE3-CB 4.16Å; W254-V257 HydrophobicContact CE3-CG1 4.15Å; W254-V257 HydrophobicContact CZ3-CG1 4.16Å; W254-V257 PolarHBondContact O-N 2.94Å; W254-V258 HydrophobicContact CE3-CG2 4.36Å; W254-V258 VanDerWaalsContact O-CG2 3.31Å; W254-V258 WeakPolarHBondContact O-CG2 3.49Å; W254-V258 PolarHBondContact O-N 3.39Å; W254-R266 VanDerWaalsContact C-CD 3.49Å; W254-R266 HydrophobicContact CB-CB 4.4Å; W254-R266 HydrophobicContact CB-CG 4.12Å; W254-L269 HydrophobicContact CE3-CD2 3.77Å; W254-L269 HydrophobicContact CE3-CG 4.45Å; W254-L269 HydrophobicContact CH2-CD2 4.41Å; W254-L269 HydrophobicContact CH2-CG 4.43Å; W254-L269 HydrophobicContact CZ3-CD2 3.52Å; W254-L269 HydrophobicContact CZ3-CG 3.99Å; W254-Q270 HydrophobicContact CD2-CG 3.91Å; W254-Q270 VanDerWaalsContact CE2-CG 3.41Å; W254-Q270 HydrophobicContact CG-CG 4Å; W254-Q270 HydrophobicContact CZ2-CG 3.89Å; W254-Q270 VanDerWaalsContact NE1-CD 3.32Å; W254-Q270 VanDerWaalsContact NE1-OE1 3.16Å; W254-V273 HydrophobicContact CH2-CG2 3.48Å; W254-V273 VanDerWaalsContact CH2-CG2 3.48Å; W254-V273 HydrophobicContact CZ2-CG2 3.88Å; W254-V273 HydrophobicContact CZ3-CG2 4.45Å
255H93.2Very high91.3Very high96 Ų9680 Ų8044%0.44440%0.402SS..Hα-helixtrans-64.7-28.5171.8-167.161.7000112.6N253 P259 R266N253-H255 PolarHBondContact O-N 3.11Å; N253-H255 WeakPolarHBondContact OD1-CB 3.26Å; N253-H255 PolarHBondContact OD1-N 2.93Å; H255-P259 WeakPolarHBondContact O-CA 3.45Å; H255-P259 WeakPolarHBondContact O-CB 3.42Å; H255-R266 PolarHBondContact ND1-NH1 3.19Å
256Q91.6Very high91.9Very high148 Ų14875.3 Ų75.369%0.69237%0.369SS*.Hα-helixtrans-78.7-25.9174.7-64.1175.9-37.800112.4N253 W254N253-Q256 HydrophobicContact CB-CG 4.28Å; N253-Q256 WeakPolarHBondContact O-CB 3.5Å; N253-Q256 PolarHBondContact O-N 2.83Å; W254-Q256 PolarHBondContact O-N 3.15Å
257V92.7Very high92.3Very high17 Ų1775.2 Ų75.210%0.10337%0.366CS..Hα-helixtrans-84.4-46.2-176.5-178.10000111.2N202 L207 L223 M252 W254N202-V257 PolarHBondContact ND2-O 3.16Å; L207-V257 HydrophobicContact CD1-CG1 3.59Å; L223-V257 HydrophobicContact CD1-CG1 4.44Å; L223-V257 HydrophobicContact CD1-CG2 3.58Å; L223-V257 HydrophobicContact CD2-CG1 4.29Å; M252-V257 HydrophobicContact CE-CG2 3.55Å; M252-V257 HydrophobicContact CG-CG2 4.09Å; M252-V257 HydrophobicContact SD-CG2 4.34Å; W254-V257 HydrophobicContact CE3-CB 4.16Å; W254-V257 HydrophobicContact CE3-CG1 4.15Å; W254-V257 HydrophobicContact CZ3-CG1 4.16Å; W254-V257 PolarHBondContact O-N 2.94Å
258V94.5Very high92.7Very high0 Ų069.6 Ų69.60%034%0.338CS..SBendtrans-128.973.3-179.9-71.20000109.4A198 N202 W254 K260 M261 R266 L269A198-V258 HydrophobicContact CB-CG1 4.05Å; N202-V258 HydrophobicContact CB-CG1 4.43Å; W254-V258 HydrophobicContact CE3-CG2 4.36Å; W254-V258 VanDerWaalsContact O-CG2 3.31Å; W254-V258 WeakPolarHBondContact O-CG2 3.49Å; W254-V258 PolarHBondContact O-N 3.39Å; V258-K260 VanDerWaalsContact C-N 3.32Å; V258-K260 PolarHBondContact O-N 2.81Å; V258-M261 HydrophobicContact CB-CB 3.89Å; V258-M261 HydrophobicContact CB-CE 4.33Å; V258-M261 HydrophobicContact CB-SD 4.35Å; V258-M261 HydrophobicContact CG1-CE 4.34Å; V258-M261 HydrophobicContact CG2-CB 3.91Å; V258-M261 HydrophobicContact CG2-CE 4.32Å; V258-M261 HydrophobicContact CG2-CG 4.47Å; V258-M261 HydrophobicContact CG2-SD 3.8Å; V258-M261 WeakPolarHBondContact O-CB 3.5Å; V258-M261 PolarHBondContact O-N 3.13Å; V258-R266 HydrophobicContact CG2-CG 3.65Å; V258-R266 PolarHBondContact O-NH1 3.28Å; V258-L269 HydrophobicContact CG1-CD2 4.11Å; V258-L269 HydrophobicContact CG2-CD2 3.97Å
259P92.9Very high92.9Very high63 Ų6366.9 Ų66.941%0.40933%0.328SS..THydrogen-bonded Turntrans-64.2-34.7-170.523.5-33.5000113.6H255 M261H255-P259 WeakPolarHBondContact O-CA 3.45Å; H255-P259 WeakPolarHBondContact O-CB 3.42Å; P259-M261 VanDerWaalsContact C-N 3.33Å
260K92.2Very high93.2Very high93 Ų9365.7 Ų65.740%0.40432%0.315SS..THydrogen-bonded Turntrans-76.1-21.4-179.6-62.9-177.5175.4177.90113.4D102 Q105 V258D102-K260 IonicContact OD1-NZ 3.34Å; D102-K260 PolarHBondContact OD1-NZ 3.28Å; D102-K260 IonicContact OD2-NZ 3.05Å; D102-K260 PolarHBondContact OD2-NZ 3.47Å; Q105-K260 HydrophobicContact CG-CB 4.36Å; Q105-K260 WeakPolarHBondContact CG-O 3.26Å; Q105-K260 PolarHBondContact OE1-O 2.87Å; V258-K260 VanDerWaalsContact C-N 3.32Å; V258-K260 PolarHBondContact O-N 2.81Å
261M94.8Very high93.8Very high4 Ų460.3 Ų60.32%0.0230%0.297CS..SBendtrans-68.6141.9-178.4-170.1179.3-78.600110.3F197 S201 V258 P259 R266 L269F197-M261 HydrophobicContact CD1-CE 3.92Å; F197-M261 HydrophobicContact CD2-CE 3.87Å; F197-M261 HydrophobicContact CE1-CE 3.71Å; F197-M261 HydrophobicContact CE1-SD 4.05Å; F197-M261 HydrophobicContact CE2-CE 3.65Å; F197-M261 HydrophobicContact CG-CE 3.99Å; F197-M261 HydrophobicContact CZ-CE 3.56Å; F197-M261 HydrophobicContact CZ-CG 4.48Å; F197-M261 HydrophobicContact CZ-SD 4.02Å; S201-M261 WeakPolarHBondContact OG-CE 3.4Å; V258-M261 HydrophobicContact CB-CB 3.89Å; V258-M261 HydrophobicContact CB-CE 4.33Å; V258-M261 HydrophobicContact CB-SD 4.35Å; V258-M261 HydrophobicContact CG1-CE 4.34Å; V258-M261 HydrophobicContact CG2-CB 3.91Å; V258-M261 HydrophobicContact CG2-CE 4.32Å; V258-M261 HydrophobicContact CG2-CG 4.47Å; V258-M261 HydrophobicContact CG2-SD 3.8Å; V258-M261 WeakPolarHBondContact O-CB 3.5Å; V258-M261 PolarHBondContact O-N 3.13Å; P259-M261 VanDerWaalsContact C-N 3.33Å; M261-R266 HydrophobicContact CB-CG 4.22Å; M261-R266 HydrophobicContact CG-CG 4.14Å; M261-R266 VanDerWaalsContact O-CZ 3.23Å; M261-R266 PolarHBondContact O-NH1 3.13Å; M261-R266 PolarHBondContact O-NH2 3.45Å; M261-R266 HydrophobicContact SD-CB 4.41Å; M261-R266 HydrophobicContact SD-CG 3.92Å; M261-R266 PolarHBondContact SD-N 2.97Å; M261-L269 HydrophobicContact CE-CB 4.41Å; M261-L269 HydrophobicContact CE-CD2 3.97Å; M261-L269 HydrophobicContact SD-CB 4.03Å; M261-L269 HydrophobicContact SD-CD2 4.01Å
262S95.1Very high94.6Very high55 Ų5554.9 Ų54.939%0.38526%0.264SS..  trans-70.3168.6175.973.30000111.8R264 G265 R266S262-R264 VanDerWaalsContact C-N 3.32Å; S262-R264 PolarHBondContact O-N 3.31Å; S262-G265 PolarHBondContact O-N 3.34Å; S262-G265 VanDerWaalsContact O-N 3.16Å; S262-G265 PolarHBondContact OG-N 3.08Å; S262-G265 VanDerWaalsContact OG-N 3.11Å; S262-R266 PolarHBondContact O-N 3.41Å
263F96.2Very high95.3Very high160 Ų16051 Ų5170%0.70225%0.245SC*.Hα-helixtrans-55.2-48.1173175.6-96.4000111.8G265 R266 D267F263-G265 VanDerWaalsContact C-N 3.3Å; F263-G265 PolarHBondContact O-N 3.2Å; F263-R266 PolarHBondContact O-N 3.2Å; F263-D267 PolarHBondContact O-N 2.88Å
264R97Very high95.7Very high109 Ų10948.4 Ų48.441%0.41123%0.232SC..Hα-helixtrans-63.9-33.7177.3-64.3-178.2177.1-173.6-5.8112.7S262 D267 L268 H289 S290 Y291 E293S262-R264 VanDerWaalsContact C-N 3.32Å; S262-R264 PolarHBondContact O-N 3.31Å; R264-D267 PolarHBondContact O-N 3.1Å; R264-L268 PolarHBondContact O-N 2.86Å; R264-L268 VanDerWaalsContact O-N 3.08Å; R264-H289 PolarHBondContact O-CE1 3.1Å; R264-H289 VanDerWaalsContact O-CE1 3.27Å; R264-S290 WeakPolarHBondContact CD-O 3.19Å; R264-S290 PolarHBondContact NH1-O 3.18Å; R264-Y291 HydrophobicContact CB-CD2 4.15Å; R264-E293 IonicContact CZ-OE2 3.3Å; R264-E293 VanDerWaalsContact CZ-OE2 3.31Å; R264-E293 IonicContact NH1-OE2 3.8Å; R264-E293 PolarHBondContact NH1-OE2 3Å; R264-E293 IonicContact NH2-OE2 3.55Å; R264-E293 PolarHBondContact NH2-OE2 3.18Å; R264-E293 VanDerWaalsContact NH2-OE2 3.15Å
265G97.3Very high95.9Very high0 Ų048.4 Ų48.40%024%0.235CC..Hα-helixtrans-66.5-44.7175.100000111.4F197 S262 F263 D267 L268 L269 Y291F197-G265 WeakPolarHBondContact CE1-O 3.5Å; S262-G265 PolarHBondContact O-N 3.34Å; S262-G265 VanDerWaalsContact O-N 3.16Å; S262-G265 PolarHBondContact OG-N 3.08Å; S262-G265 VanDerWaalsContact OG-N 3.11Å; F263-G265 VanDerWaalsContact C-N 3.3Å; F263-G265 PolarHBondContact O-N 3.2Å; G265-D267 VanDerWaalsContact C-N 3.27Å; G265-D267 PolarHBondContact O-N 3.02Å; G265-L268 PolarHBondContact O-N 2.86Å; G265-L269 WeakPolarHBondContact O-CB 3.45Å; G265-L269 PolarHBondContact O-N 3.42Å; G265-Y291 VanDerWaalsContact N-CD2 3.29Å
266R97.5Very high96Very high36 Ų3644.5 Ų44.514%0.13622%0.217CC..Hα-helixtrans-62.7-36.4176.6-77.5-173.6-73.2-91.1-7112.2W254 H255 V258 M261 S262 F263 L269 Q270W254-R266 VanDerWaalsContact C-CD 3.49Å; W254-R266 HydrophobicContact CB-CB 4.4Å; W254-R266 HydrophobicContact CB-CG 4.12Å; H255-R266 PolarHBondContact ND1-NH1 3.19Å; V258-R266 HydrophobicContact CG2-CG 3.65Å; V258-R266 PolarHBondContact O-NH1 3.28Å; M261-R266 HydrophobicContact CB-CG 4.22Å; M261-R266 HydrophobicContact CG-CG 4.14Å; M261-R266 VanDerWaalsContact O-CZ 3.23Å; M261-R266 PolarHBondContact O-NH1 3.13Å; M261-R266 PolarHBondContact O-NH2 3.45Å; M261-R266 HydrophobicContact SD-CB 4.41Å; M261-R266 HydrophobicContact SD-CG 3.92Å; M261-R266 PolarHBondContact SD-N 2.97Å; S262-R266 PolarHBondContact O-N 3.41Å; F263-R266 PolarHBondContact O-N 3.2Å; R266-L269 PolarHBondContact O-N 3Å; R266-Q270 WeakPolarHBondContact O-CB 3.03Å; R266-Q270 VanDerWaalsContact O-CG 3.26Å; R266-Q270 WeakPolarHBondContact O-CG 3.43Å; R266-Q270 PolarHBondContact O-N 2.91Å; R266-Q270 PolarHBondContact O-NE2 3.26Å
267D97.3Very high96.3Very high61 Ų6139 Ų3933%0.32619%0.194SC..Hα-helixtrans-64.4-46.4175.2-17156.4000111.8F263 R264 G265 L269 Q270 Q271 H289F263-D267 PolarHBondContact O-N 2.88Å; R264-D267 PolarHBondContact O-N 3.1Å; G265-D267 VanDerWaalsContact C-N 3.27Å; G265-D267 PolarHBondContact O-N 3.02Å; D267-L269 PolarHBondContact O-N 3.34Å; D267-Q270 PolarHBondContact O-N 3.07Å; D267-Q271 WeakPolarHBondContact O-CG 3.26Å; D267-Q271 PolarHBondContact O-N 3.22Å; D267-Q271 PolarHBondContact O-NE2 2.87Å; D267-Q271 PolarHBondContact OD2-NE2 3.4Å; D267-Q271 VanDerWaalsContact OD2-NE2 3.12Å; D267-H289 IonicContact OD2-CE1 3Å; D267-H289 PolarHBondContact OD2-CE1 3.35Å; D267-H289 IonicContact OD2-NE2 3.74Å; D267-H289 PolarHBondContact OD2-NE2 3.45Å
268L98.4Very high96.4Very high0 Ų042.2 Ų42.20%022%0.223CC..Hα-helixtrans-59.7-47.3173.1175.859.9000111.6F197 R264 G265 Q270 Q271 L272 M281 A286 H289 Y291 F292F197-L268 HydrophobicContact CE1-CB 4.22Å; F197-L268 HydrophobicContact CE1-CD2 3.95Å; F197-L268 HydrophobicContact CE1-CG 4.1Å; F197-L268 HydrophobicContact CZ-CD2 4.43Å; R264-L268 PolarHBondContact O-N 2.86Å; R264-L268 VanDerWaalsContact O-N 3.08Å; G265-L268 PolarHBondContact O-N 2.86Å; L268-Q270 VanDerWaalsContact C-N 3.32Å; L268-Q270 PolarHBondContact O-N 3.1Å; L268-Q271 PolarHBondContact O-N 3.44Å; L268-Q271 VanDerWaalsContact O-N 3.12Å; L268-L272 HydrophobicContact CD1-CD1 4.13Å; L268-L272 HydrophobicContact CD1-CG 4.26Å; L268-L272 HydrophobicContact CG-CD1 4.01Å; L268-L272 WeakPolarHBondContact O-CG 3.27Å; L268-L272 PolarHBondContact O-N 2.9Å; L268-L272 VanDerWaalsContact O-N 3.12Å; L268-M281 HydrophobicContact CD1-SD 3.77Å; L268-A286 HydrophobicContact CD1-CB 3.99Å; L268-H289 HydrophobicContact CD1-CB 4.07Å; L268-Y291 HydrophobicContact CD2-CD1 3.71Å; L268-Y291 HydrophobicContact CD2-CE1 4.47Å; L268-Y291 HydrophobicContact CD2-CG 4.3Å; L268-F292 HydrophobicContact CD2-CE2 3.62Å; L268-F292 HydrophobicContact CD2-CZ 3.66Å
269L98.2Very high96.5Very high0 Ų047 Ų470%025%0.249CC..Hα-helixtrans-56.9-47.3-180175.659.7000111.2G194 F197 A198 W254 V258 M261 G265 R266 D267 Q271 L272 V273G194-L269 WeakPolarHBondContact O-CD1 3.43Å; F197-L269 HydrophobicContact CB-CD1 4.48Å; F197-L269 HydrophobicContact CD1-CB 3.98Å; F197-L269 HydrophobicContact CD1-CD1 4.2Å; F197-L269 HydrophobicContact CE1-CB 4.1Å; A198-L269 HydrophobicContact CB-CD1 4.09Å; A198-L269 HydrophobicContact CB-CD2 3.95Å; W254-L269 HydrophobicContact CE3-CD2 3.77Å; W254-L269 HydrophobicContact CE3-CG 4.45Å; W254-L269 HydrophobicContact CH2-CD2 4.41Å; W254-L269 HydrophobicContact CH2-CG 4.43Å; W254-L269 HydrophobicContact CZ3-CD2 3.52Å; W254-L269 HydrophobicContact CZ3-CG 3.99Å; V258-L269 HydrophobicContact CG1-CD2 4.11Å; V258-L269 HydrophobicContact CG2-CD2 3.97Å; M261-L269 HydrophobicContact CE-CB 4.41Å; M261-L269 HydrophobicContact CE-CD2 3.97Å; M261-L269 HydrophobicContact SD-CB 4.03Å; M261-L269 HydrophobicContact SD-CD2 4.01Å; G265-L269 WeakPolarHBondContact O-CB 3.45Å; G265-L269 PolarHBondContact O-N 3.42Å; R266-L269 PolarHBondContact O-N 3Å; D267-L269 PolarHBondContact O-N 3.34Å; L269-Q271 PolarHBondContact O-N 3.44Å; L269-L272 PolarHBondContact O-N 3.27Å; L269-V273 HydrophobicContact CD1-CG1 3.94Å; L269-V273 HydrophobicContact CD1-CG2 4.32Å; L269-V273 HydrophobicContact CG-CG2 4.32Å; L269-V273 WeakPolarHBondContact O-CG2 3.27Å; L269-V273 PolarHBondContact O-N 3.42Å
270Q97.2Very high96.7Very high58 Ų5844.7 Ų44.727%0.27123%0.232SC..Hα-helixtrans-61.6-28.8179.1-79.1173.99800113.7W254 R266 D267 L268 V274W254-Q270 HydrophobicContact CD2-CG 3.91Å; W254-Q270 VanDerWaalsContact CE2-CG 3.41Å; W254-Q270 HydrophobicContact CG-CG 4Å; W254-Q270 HydrophobicContact CZ2-CG 3.89Å; W254-Q270 VanDerWaalsContact NE1-CD 3.32Å; W254-Q270 VanDerWaalsContact NE1-OE1 3.16Å; R266-Q270 WeakPolarHBondContact O-CB 3.03Å; R266-Q270 VanDerWaalsContact O-CG 3.26Å; R266-Q270 WeakPolarHBondContact O-CG 3.43Å; R266-Q270 PolarHBondContact O-N 2.91Å; R266-Q270 PolarHBondContact O-NE2 3.26Å; D267-Q270 PolarHBondContact O-N 3.07Å; L268-Q270 VanDerWaalsContact C-N 3.32Å; L268-Q270 PolarHBondContact O-N 3.1Å; Q270-V274 WeakPolarHBondContact O-CG2 3.28Å
271Q98Very high97Very high64 Ų6441.2 Ų41.230%0.29922%0.217SC..Hα-helixtrans-82-20.1176.4-68.717785.200112.6D267 L268 L269 M281 H289D267-Q271 WeakPolarHBondContact O-CG 3.26Å; D267-Q271 PolarHBondContact O-N 3.22Å; D267-Q271 PolarHBondContact O-NE2 2.87Å; D267-Q271 PolarHBondContact OD2-NE2 3.4Å; D267-Q271 VanDerWaalsContact OD2-NE2 3.12Å; L268-Q271 PolarHBondContact O-N 3.44Å; L268-Q271 VanDerWaalsContact O-N 3.12Å; L269-Q271 PolarHBondContact O-N 3.44Å; Q271-M281 HydrophobicContact CB-CB 4.02Å; Q271-M281 HydrophobicContact CB-CE 3.74Å; Q271-M281 HydrophobicContact CB-SD 4.08Å; Q271-M281 HydrophobicContact CG-CE 4.1Å; Q271-M281 VanDerWaalsContact O-CB 3.32Å; Q271-M281 WeakPolarHBondContact O-CB 3.12Å; Q271-M281 PolarHBondContact O-N 2.95Å; Q271-H289 PolarHBondContact NE2-NE2 3.41Å; Q271-H289 VanDerWaalsContact NE2-NE2 3.19Å
272L98.5Very high97.2Very high0 Ų042.8 Ų42.80%023%0.228CC..Hα-helixtrans-86.6-37.3174-67.2170.6000112.8M112 M190 F197 L268 L269 V274 R280 M281 A286M112-L272 HydrophobicContact CE-CD1 3.57Å; M190-L272 HydrophobicContact CB-CD2 4.38Å; M190-L272 HydrophobicContact CE-CD2 3.45Å; M190-L272 VanDerWaalsContact CE-CD2 3.45Å; F197-L272 HydrophobicContact CD1-CD1 4.4Å; L268-L272 HydrophobicContact CD1-CD1 4.13Å; L268-L272 HydrophobicContact CD1-CG 4.26Å; L268-L272 HydrophobicContact CG-CD1 4.01Å; L268-L272 WeakPolarHBondContact O-CG 3.27Å; L268-L272 PolarHBondContact O-N 2.9Å; L268-L272 VanDerWaalsContact O-N 3.12Å; L269-L272 PolarHBondContact O-N 3.27Å; L272-V274 PolarHBondContact O-N 2.95Å; L272-R280 WeakPolarHBondContact O-CD 3.41Å; L272-R280 WeakPolarHBondContact O-CG 3.36Å; L272-M281 HydrophobicContact CD2-CB 4.5Å; L272-A286 HydrophobicContact CD2-CB 4.44Å
273V97.6Very high97.3Very high3 Ų340.2 Ų40.22%0.01821%0.21CC..SBendtrans-97.456.6-179.1-61.20000111.7W191 L207 L224 W254 L269W191-V273 HydrophobicContact CE3-CB 4.32Å; W191-V273 HydrophobicContact CH2-CB 4.48Å; W191-V273 HydrophobicContact CZ3-CB 4.08Å; L207-V273 HydrophobicContact CD2-CG1 4.39Å; L224-V273 WeakPolarHBondContact CD1-O 3.39Å; L224-V273 HydrophobicContact CD2-CG2 4.08Å; W254-V273 HydrophobicContact CH2-CG2 3.48Å; W254-V273 VanDerWaalsContact CH2-CG2 3.48Å; W254-V273 HydrophobicContact CZ2-CG2 3.88Å; W254-V273 HydrophobicContact CZ3-CG2 4.45Å; L269-V273 HydrophobicContact CD1-CG1 3.94Å; L269-V273 HydrophobicContact CD1-CG2 4.32Å; L269-V273 HydrophobicContact CG-CG2 4.32Å; L269-V273 WeakPolarHBondContact O-CG2 3.27Å; L269-V273 PolarHBondContact O-N 3.42Å
274V96.9Very high97.4Very high32 Ų3235.9 Ų35.919%0.19420%0.195CC..  trans-97.5130.8174.6-176.70000109.8Q270 L272 D279 R280Q270-V274 WeakPolarHBondContact O-CG2 3.28Å; L272-V274 PolarHBondContact O-N 2.95Å; V274-D279 HydrophobicContact CG1-CB 3.88Å; V274-R280 HydrophobicContact CB-CB 4.46Å; V274-R280 PolarHBondContact O-NE 3.29Å; V274-R280 PolarHBondContact O-NH2 3.43Å
275C96.8Very high97.5Very high17 Ų1736 Ų3612%0.11520%0.2CC..SBendtrans-59.7-52.2-179.1-67.70000111.8P175 P227 W232 P277 R280P175-C275 HydrophobicContact CG-CB 4.38Å; P227-C275 HydrophobicContact CG-CB 4.13Å; W232-C275 HydrophobicContact CE3-CB 3.91Å; W232-C275 HydrophobicContact CZ3-CB 4.1Å; C275-P277 VanDerWaalsContact O-CD 3.29Å; C275-P277 WeakPolarHBondContact O-CD 3.37Å; C275-R280 PolarHBondContact O-NH2 3.17Å; C275-R280 VanDerWaalsContact O-NH2 3.1Å
276N96.3Very high97.5Very high14 Ų1436 Ų368%0.07520%0.2CC..SBendtrans-65.8116.1176.1-176.51.4000110.1W232 A278 D279 R280W232-N276 HydrophobicContact CB-CB 4.06Å; W232-N276 HydrophobicContact CD2-CB 4.29Å; W232-N276 HydrophobicContact CG-CB 3.85Å; N276-A278 PolarHBondContact O-N 3.5Å; N276-A278 WeakPolarHBondContact OD1-CB 3.06Å; N276-A278 PolarHBondContact OD1-N 3Å; N276-A278 VanDerWaalsContact OD1-N 3.11Å; N276-D279 HydrophobicContact CB-CB 4.35Å; N276-D279 WeakPolarHBondContact CB-OD2 3.21Å; N276-D279 PolarHBondContact ND2-OD2 3.44Å; N276-D279 PolarHBondContact O-N 3.44Å; N276-R280 PolarHBondContact O-N 2.76Å
277P96.3Very high97.6Very high32 Ų3235 Ų3521%0.20820%0.197CC..THydrogen-bonded Turntrans-63.6-23.7-179.125.6-34.6000113.3D176 S187 W232 C275D176-P277 HydrophobicContact CB-CG 4.04Å; S187-P277 WeakPolarHBondContact CB-O 3.38Å; S187-P277 WeakPolarHBondContact OG-CB 2.79Å; W232-P277 HydrophobicContact CZ2-CG 4.5Å; C275-P277 VanDerWaalsContact O-CD 3.29Å; C275-P277 WeakPolarHBondContact O-CD 3.37Å
278A95.2Very high97.6Very high86 Ų8639.8 Ų39.871%0.71122%0.215SC*.THydrogen-bonded Turntrans-72.8-27.6178.700000113.3N276N276-A278 PolarHBondContact O-N 3.5Å; N276-A278 WeakPolarHBondContact OD1-CB 3.06Å; N276-A278 PolarHBondContact OD1-N 3Å; N276-A278 VanDerWaalsContact OD1-N 3.11Å
279D96.6Very high97.6Very high101 Ų10140.6 Ų40.654%0.5422%0.219SC..SBendtrans-94.3-3-179.3-60.8-33.2000112.3V274 N276V274-D279 HydrophobicContact CG1-CB 3.88Å; N276-D279 HydrophobicContact CB-CB 4.35Å; N276-D279 WeakPolarHBondContact CB-OD2 3.21Å; N276-D279 PolarHBondContact ND2-OD2 3.44Å; N276-D279 PolarHBondContact O-N 3.44Å
280R97.6Very high97.5Very high14 Ų1442.2 Ų42.25%0.05323%0.23CC..SBendtrans-76.3127.9-176.6-158.5177.3-63.2143.64.8110.3D176 S187 M190 L272 V274 C275 N276 S282D176-R280 IonicContact OD1-CZ 3Å; D176-R280 IonicContact OD1-NH1 2.64Å; D176-R280 IonicContact OD1-NH2 3.49Å; D176-R280 PolarHBondContact OD1-NH2 2.97Å; S187-R280 VanDerWaalsContact C-NH1 3.29Å; S187-R280 VanDerWaalsContact O-CD 3.28Å; S187-R280 WeakPolarHBondContact O-CD 3.21Å; S187-R280 PolarHBondContact O-NH1 3.17Å; M190-R280 HydrophobicContact CB-CG 4.32Å; L272-R280 WeakPolarHBondContact O-CD 3.41Å; L272-R280 WeakPolarHBondContact O-CG 3.36Å; V274-R280 HydrophobicContact CB-CB 4.46Å; V274-R280 PolarHBondContact O-NE 3.29Å; V274-R280 PolarHBondContact O-NH2 3.43Å; C275-R280 PolarHBondContact O-NH2 3.17Å; C275-R280 VanDerWaalsContact O-NH2 3.1Å; N276-R280 PolarHBondContact O-N 2.76Å; R280-S282 PolarHBondContact O-N 2.9Å
281M98.2Very high97.6Very high19 Ų1939.9 Ų39.99%0.09422%0.219CC..PPolyproline II helixtrans-58.7135.5-177.6-179.3175.6-83.100112.2M190 L268 Q271 L272 Q285 A286M190-M281 WeakPolarHBondContact CG-O 3.26Å; L268-M281 HydrophobicContact CD1-SD 3.77Å; Q271-M281 HydrophobicContact CB-CB 4.02Å; Q271-M281 HydrophobicContact CB-CE 3.74Å; Q271-M281 HydrophobicContact CB-SD 4.08Å; Q271-M281 HydrophobicContact CG-CE 4.1Å; Q271-M281 VanDerWaalsContact O-CB 3.32Å; Q271-M281 WeakPolarHBondContact O-CB 3.12Å; Q271-M281 PolarHBondContact O-N 2.95Å; L272-M281 HydrophobicContact CD2-CB 4.5Å; M281-Q285 HydrophobicContact CE-CB 4.49Å; M281-Q285 HydrophobicContact CG-CB 3.63Å; M281-Q285 HydrophobicContact SD-CB 4.36Å; M281-A286 HydrophobicContact CG-CB 4.08Å; M281-A286 WeakPolarHBondContact SD-CA 2.98Å; M281-A286 HydrophobicContact SD-CB 3.77Å
282S98.5Very high97.5Very high37 Ų3736.8 Ų36.826%0.25921%0.205SC..PPolyproline II helixtrans-78.7162.5175.275.50000112.5R280 D284 Q285 A286R280-S282 PolarHBondContact O-N 2.9Å; S282-D284 VanDerWaalsContact C-N 3.29Å; S282-D284 PolarHBondContact O-N 3.38Å; S282-Q285 PolarHBondContact O-N 2.98Å; S282-Q285 WeakPolarHBondContact OG-CG 3.23Å; S282-Q285 PolarHBondContact OG-N 3.28Å; S282-Q285 PolarHBondContact OG-OE1 2.91Å; S282-A286 WeakPolarHBondContact O-CB 3.24Å; S282-A286 PolarHBondContact O-N 3.43Å
283A98.5Very high97.2Very high1 Ų142.1 Ų42.11%0.00823%0.229CC..Hα-helixtrans-59.5-39.2175.700000112.6L119 Q120 M190 Q285 A286 L287L119-A283 HydrophobicContact CB-CB 4.31Å; Q120-A283 HydrophobicContact CB-CB 3.88Å; M190-A283 HydrophobicContact CE-CB 4.08Å; M190-A283 HydrophobicContact SD-CB 3.86Å; A283-Q285 PolarHBondContact O-N 3.42Å; A283-A286 PolarHBondContact O-N 2.83Å; A283-L287 WeakPolarHBondContact O-CG 3.24Å; A283-L287 PolarHBondContact O-N 3.47Å
284D97.8Very high96.5Very high70 Ų7046 Ų4637%0.37426%0.257SS..Hα-helixtrans-60.6-40.8175.3-93.7-80.4000113.4Q120 S282 K288Q120-D284 VanDerWaalsContact NE2-CG 3.34Å; Q120-D284 PolarHBondContact NE2-OD1 2.9Å; S282-D284 VanDerWaalsContact C-N 3.29Å; S282-D284 PolarHBondContact O-N 3.38Å; D284-K288 WeakPolarHBondContact O-CG 3.26Å
285Q98.3Very high95.8Very high110 Ų11047 Ų4751%0.51426%0.26SS..Hα-helixtrans-72.5-43.8176.4-71.3168.5-36.800110.7M281 S282 A283 L287 K288 H289M281-Q285 HydrophobicContact CE-CB 4.49Å; M281-Q285 HydrophobicContact CG-CB 3.63Å; M281-Q285 HydrophobicContact SD-CB 4.36Å; S282-Q285 PolarHBondContact O-N 2.98Å; S282-Q285 WeakPolarHBondContact OG-CG 3.23Å; S282-Q285 PolarHBondContact OG-N 3.28Å; S282-Q285 PolarHBondContact OG-OE1 2.91Å; A283-Q285 PolarHBondContact O-N 3.42Å; Q285-L287 VanDerWaalsContact C-N 3.34Å; Q285-L287 PolarHBondContact O-N 2.97Å; Q285-K288 PolarHBondContact O-N 3.26Å; Q285-K288 VanDerWaalsContact O-N 3.08Å; Q285-H289 PolarHBondContact O-N 3.39Å
286A98.6Very high94.1Very high0 Ų053.6 Ų53.60%029%0.294CS..Hα-helixtrans-61-39.8-178.900000112.6L116 M190 L268 L272 M281 S282 A283 K288 H289 F292L116-A286 HydrophobicContact CD1-CB 3.73Å; L116-A286 HydrophobicContact CD2-CB 3.87Å; L116-A286 HydrophobicContact CG-CB 4.42Å; M190-A286 HydrophobicContact CE-CB 4.44Å; L268-A286 HydrophobicContact CD1-CB 3.99Å; L272-A286 HydrophobicContact CD2-CB 4.44Å; M281-A286 HydrophobicContact CG-CB 4.08Å; M281-A286 WeakPolarHBondContact SD-CA 2.98Å; M281-A286 HydrophobicContact SD-CB 3.77Å; S282-A286 WeakPolarHBondContact O-CB 3.24Å; S282-A286 PolarHBondContact O-N 3.43Å; A283-A286 PolarHBondContact O-N 2.83Å; A286-K288 PolarHBondContact O-N 2.79Å; A286-H289 WeakPolarHBondContact O-CB 3.36Å; A286-H289 PolarHBondContact O-N 3.06Å; A286-H289 VanDerWaalsContact O-N 3.07Å; A286-F292 VanDerWaalsContact O-CD2 3.29Å; A286-F292 WeakPolarHBondContact O-CD2 3.34Å; A286-F292 VanDerWaalsContact O-CE2 3.27Å; A286-F292 WeakPolarHBondContact O-CE2 3.43Å
287L98.1Very high94Very high16 Ų1655.6 Ų55.68%0.08431%0.305CS..THydrogen-bonded Turntrans-65.7-21.6177.3-75.3167.6000113.8F113 L116 R117 Q120 A283 Q285 H289F113-L287 HydrophobicContact CD2-CD2 3.71Å; F113-L287 HydrophobicContact CE2-CD2 3.68Å; F113-L287 HydrophobicContact CG-CD2 4.44Å; F113-L287 HydrophobicContact CZ-CD2 4.4Å; L116-L287 HydrophobicContact CB-CD2 3.64Å; L116-L287 HydrophobicContact CB-CG 3.87Å; R117-L287 HydrophobicContact CG-CD1 4.2Å; R117-L287 HydrophobicContact CG-CD2 3.76Å; Q120-L287 HydrophobicContact CB-CD1 3.84Å; Q120-L287 VanDerWaalsContact CD-CD1 3.46Å; Q120-L287 HydrophobicContact CG-CD1 4.13Å; A283-L287 WeakPolarHBondContact O-CG 3.24Å; A283-L287 PolarHBondContact O-N 3.47Å; Q285-L287 VanDerWaalsContact C-N 3.34Å; Q285-L287 PolarHBondContact O-N 2.97Å; L287-H289 VanDerWaalsContact C-N 3.35Å
288K97.5Very high93.9Very high162 Ų16256.8 Ų56.870%0.70431%0.31SS*.THydrogen-bonded Turntrans-91.91.4176.1-62.7169.9-172.1168.30112.6D284 Q285 A286D284-K288 WeakPolarHBondContact O-CG 3.26Å; Q285-K288 PolarHBondContact O-N 3.26Å; Q285-K288 VanDerWaalsContact O-N 3.08Å; A286-K288 PolarHBondContact O-N 2.79Å
289H98.4Very high93.8Very high17 Ų1755.2 Ų55.28%0.07929%0.288CS..SBendtrans-68.2143.7-177-166.3-90.4000111.8R264 D267 L268 Q271 Q285 A286 L287 Y291 F292R264-H289 PolarHBondContact O-CE1 3.1Å; R264-H289 VanDerWaalsContact O-CE1 3.27Å; D267-H289 IonicContact OD2-CE1 3Å; D267-H289 PolarHBondContact OD2-CE1 3.35Å; D267-H289 IonicContact OD2-NE2 3.74Å; D267-H289 PolarHBondContact OD2-NE2 3.45Å; L268-H289 HydrophobicContact CD1-CB 4.07Å; Q271-H289 PolarHBondContact NE2-NE2 3.41Å; Q271-H289 VanDerWaalsContact NE2-NE2 3.19Å; Q285-H289 PolarHBondContact O-N 3.39Å; A286-H289 WeakPolarHBondContact O-CB 3.36Å; A286-H289 PolarHBondContact O-N 3.06Å; A286-H289 VanDerWaalsContact O-N 3.07Å; L287-H289 VanDerWaalsContact C-N 3.35Å; H289-Y291 WeakPolarHBondContact ND1-CB 3.37Å; H289-Y291 PolarHBondContact ND1-N 3.27Å; H289-Y291 VanDerWaalsContact ND1-N 3.19Å; H289-Y291 PolarHBondContact O-N 3.28Å; H289-F292 HydrophobicContact CB-CD2 4.48Å; H289-F292 PolarHBondContact O-N 3.1Å
290S97.3Very high93.6Very high34 Ų3452.5 Ų52.524%0.23827%0.273CS..G310 helixtrans-57.5-15.9-17965.80000114.7R264 F292 E293R264-S290 WeakPolarHBondContact CD-O 3.19Å; R264-S290 PolarHBondContact NH1-O 3.18Å; S290-F292 PolarHBondContact O-N 2.84Å; S290-E293 WeakPolarHBondContact CA-OE1 3.49Å; S290-E293 VanDerWaalsContact CB-OE1 3.26Å; S290-E293 WeakPolarHBondContact CB-OE1 3.42Å; S290-E293 PolarHBondContact O-N 3.49Å
291Y97.8Very high93.4Very high8 Ų854.9 Ų54.93%0.03129%0.287CS..G310 helixtrans-62.9-29.5173.4-177.5-115.8000112.5K109 F197 R264 G265 L268 H289K109-Y291 HydrophobicContact CB-CE1 4Å; K109-Y291 WeakPolarHBondContact CD-O 3.44Å; K109-Y291 VanDerWaalsContact CE-O 3.31Å; K109-Y291 WeakPolarHBondContact CE-O 3.44Å; K109-Y291 HydrophobicContact CG-CD1 4.1Å; K109-Y291 HydrophobicContact CG-CE1 3.57Å; K109-Y291 HydrophobicContact CG-CE2 4.49Å; F197-Y291 HydrophobicContact CE1-CE1 4.49Å; F197-Y291 AromaticContact CE2-CE1 3.87Å; F197-Y291 HydrophobicContact CE2-CE1 3.87Å; F197-Y291 AromaticContact CE2-CZ 3.97Å; F197-Y291 HydrophobicContact CZ-CD1 4.14Å; F197-Y291 AromaticContact CZ-CE1 3.49Å; F197-Y291 HydrophobicContact CZ-CE1 3.49Å; F197-Y291 VanDerWaalsContact CZ-CE1 3.49Å; F197-Y291 HydrophobicContact CZ-CE2 4.4Å; F197-Y291 AromaticContact CZ-CZ 3.65Å; R264-Y291 HydrophobicContact CB-CD2 4.15Å; G265-Y291 VanDerWaalsContact N-CD2 3.29Å; L268-Y291 HydrophobicContact CD2-CD1 3.71Å; L268-Y291 HydrophobicContact CD2-CE1 4.47Å; L268-Y291 HydrophobicContact CD2-CG 4.3Å; H289-Y291 WeakPolarHBondContact ND1-CB 3.37Å; H289-Y291 PolarHBondContact ND1-N 3.27Å; H289-Y291 VanDerWaalsContact ND1-N 3.19Å; H289-Y291 PolarHBondContact O-N 3.28Å
292F97.7Very high93.1Very high0 Ų057.3 Ų57.30%030%0.3CS..G310 helixtrans-99.62.8-178.1-58-57.7000114.6K109 M112 F113 L116 L268 A286 H289 S290 S294 I295 L296K109-F292 HydrophobicContact CG-CD1 3.91Å; K109-F292 HydrophobicContact CG-CE1 4.07Å; M112-F292 HydrophobicContact CB-CE1 4.33Å; M112-F292 HydrophobicContact CB-CZ 4.25Å; M112-F292 HydrophobicContact CG-CE1 4.49Å; M112-F292 HydrophobicContact CG-CZ 3.93Å; F113-F292 HydrophobicContact CB-CD1 3.92Å; F113-F292 HydrophobicContact CB-CE1 3.75Å; F113-F292 HydrophobicContact CB-CZ 4.42Å; F113-F292 HydrophobicContact CD2-CB 4.07Å; F113-F292 AromaticContact CD2-CD1 3.78Å; F113-F292 HydrophobicContact CD2-CD1 3.78Å; F113-F292 HydrophobicContact CD2-CD2 4.2Å; F113-F292 HydrophobicContact CD2-CE1 4.24Å; F113-F292 AromaticContact CD2-CG 3.76Å; F113-F292 HydrophobicContact CD2-CG 3.76Å; F113-F292 HydrophobicContact CE2-CB 4.36Å; F113-F292 HydrophobicContact CE2-CG 4.45Å; F113-F292 HydrophobicContact CG-CD1 4.3Å; L116-F292 HydrophobicContact CD1-CE2 3.46Å; L116-F292 VanDerWaalsContact CD1-CE2 3.46Å; L116-F292 HydrophobicContact CD1-CZ 3.58Å; L268-F292 HydrophobicContact CD2-CE2 3.62Å; L268-F292 HydrophobicContact CD2-CZ 3.66Å; A286-F292 VanDerWaalsContact O-CD2 3.29Å; A286-F292 WeakPolarHBondContact O-CD2 3.34Å; A286-F292 VanDerWaalsContact O-CE2 3.27Å; A286-F292 WeakPolarHBondContact O-CE2 3.43Å; H289-F292 HydrophobicContact CB-CD2 4.48Å; H289-F292 PolarHBondContact O-N 3.1Å; S290-F292 PolarHBondContact O-N 2.84Å; F292-S294 PolarHBondContact O-N 3.12Å; F292-I295 HydrophobicContact CD1-CD1 4.17Å; F292-I295 PolarHBondContact O-N 3.48Å; F292-L296 PolarHBondContact O-N 3.23Å
293E91.7Very high92.7Very high111 Ų11158.8 Ų58.852%0.51930%0.303SS..THydrogen-bonded Turntrans-52.9-26.9178-84.3168.6-159.600114.2R264 S290R264-E293 IonicContact CZ-OE2 3.3Å; R264-E293 VanDerWaalsContact CZ-OE2 3.31Å; R264-E293 IonicContact NH1-OE2 3.8Å; R264-E293 PolarHBondContact NH1-OE2 3Å; R264-E293 IonicContact NH2-OE2 3.55Å; R264-E293 PolarHBondContact NH2-OE2 3.18Å; R264-E293 VanDerWaalsContact NH2-OE2 3.15Å; S290-E293 WeakPolarHBondContact CA-OE1 3.49Å; S290-E293 VanDerWaalsContact CB-OE1 3.26Å; S290-E293 WeakPolarHBondContact CB-OE1 3.42Å; S290-E293 PolarHBondContact O-N 3.49Å
294S83.4Confident92.2Very high86 Ų8663.2 Ų63.260%0.60133%0.325SS*.THydrogen-bonded Turntrans-87.7-2.5178.574.50000114.3K109 F292K109-S294 PolarHBondContact NZ-OG 3.19Å; F292-S294 PolarHBondContact O-N 3.12Å
295I81.1Confident91.8Very high51 Ų5162.7 Ų62.726%0.26232%0.321SS..THydrogen-bonded Turntrans-105.1-34.7177.4-67.8-178.1000110.6K109 L110 F113 F292K109-I295 HydrophobicContact CB-CD1 4.28Å; K109-I295 HydrophobicContact CD-CD1 3.57Å; K109-I295 HydrophobicContact CD-CG1 3.87Å; K109-I295 HydrophobicContact CG-CD1 3.52Å; K109-I295 HydrophobicContact CG-CG1 4.38Å; L110-I295 HydrophobicContact CD2-CD1 3.91Å; L110-I295 HydrophobicContact CD2-CG1 4.38Å; L110-I295 HydrophobicContact CG-CD1 4.39Å; F113-I295 HydrophobicContact CB-CD1 4.07Å; F113-I295 HydrophobicContact CD1-CG2 3.82Å; F113-I295 HydrophobicContact CD2-CG2 4.29Å; F113-I295 HydrophobicContact CE1-CG2 3.81Å; F113-I295 HydrophobicContact CE2-CG2 4.3Å; F113-I295 HydrophobicContact CG-CD1 4.36Å; F113-I295 HydrophobicContact CG-CG2 4.05Å; F113-I295 HydrophobicContact CZ-CG2 4.06Å; F292-I295 HydrophobicContact CD1-CD1 4.17Å; F292-I295 PolarHBondContact O-N 3.48Å
296L61.4Low91.2Very high157 Ų15758.4 Ų58.482%0.82230%0.304SS*.  trans-750176.6-62.8174.9000111.4F113 F292F113-L296 HydrophobicContact CE2-CD2 3.88Å; F113-L296 HydrophobicContact CE2-CG 4.45Å; F113-L296 HydrophobicContact CZ-CD2 3.81Å; F292-L296 PolarHBondContact O-N 3.23Å

Retrieved 296 of 296 residues in 574.8 ms (Link to these results)

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