A0A075B5Z2_MOUSE Loading...

T cell receptor gamma, constant 2 AlphaSync

AlphaFold DB , UniProt , Accession A0A075B5Z2, Species MOUSE (Mus musculus, Mouse), Gene Trgc2, Length 167 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
1X38.5Very low70.7Confident127 Ų12797.9 Ų97.9100%1.30954%0.543SS*.  0135.2000000108.7R3G1-R3 PolarHBondContact O-N 3.43Å
2K43.1Very low73Confident201 Ų20194.1 Ų94.187%0.87453%0.525SS*.  trans-65.999.1173.8-122.7177.3-177.3176.60106.9L4K2-L4 PolarHBondContact O-N 3.35Å
3R48.3Very low74.9Confident206 Ų20691.2 Ų91.278%0.77751%0.511SS*.  trans-67.195.3167.2-142.4178.7-176.1-139.39.8104.5X1 D5G1-R3 PolarHBondContact O-N 3.43Å; R3-D5 WeakPolarHBondContact CD-OD1 3.27Å; R3-D5 VanDerWaalsContact CG-OD1 3.28Å; R3-D5 WeakPolarHBondContact CG-OD1 3.41Å; R3-D5 IonicContact CZ-OD1 2.76Å; R3-D5 IonicContact NE-OD1 3.1Å; R3-D5 PolarHBondContact NE-OD1 2.77Å; R3-D5 IonicContact NH1-OD1 2.64Å; R3-D5 PolarHBondContact NH1-OD1 3.37Å; R3-D5 IonicContact NH1-OD2 3.87Å; R3-D5 PolarHBondContact O-N 3.47Å
4L51.6Low76.5Confident147 Ų14790.3 Ų90.377%0.7750%0.504SS*.  trans-6982.8159.2-66.5174.2000103.8K2 A6K2-L4 PolarHBondContact O-N 3.35Å; L4-A6 PolarHBondContact O-N 3.04Å
5D57.8Low77.9Confident111 Ų11190.4 Ų90.459%0.59450%0.497SS*.  trans-6761.8165.8-73.1-42000106.9R3 D7R3-D5 WeakPolarHBondContact CD-OD1 3.27Å; R3-D5 VanDerWaalsContact CG-OD1 3.28Å; R3-D5 WeakPolarHBondContact CG-OD1 3.41Å; R3-D5 IonicContact CZ-OD1 2.76Å; R3-D5 IonicContact NE-OD1 3.1Å; R3-D5 PolarHBondContact NE-OD1 2.77Å; R3-D5 IonicContact NH1-OD1 2.64Å; R3-D5 PolarHBondContact NH1-OD1 3.37Å; R3-D5 IonicContact NH1-OD2 3.87Å; R3-D5 PolarHBondContact O-N 3.47Å; D5-D7 PolarHBondContact O-N 2.95Å; D5-D7 VanDerWaalsContact O-N 3.13Å
6A73.3Confident79Confident69 Ų6988.8 Ų88.857%0.5749%0.487SS*.  trans-65.7113.9170.900000105.3L4 I8L4-A6 PolarHBondContact O-N 3.04Å; A6-I8 WeakPolarHBondContact O-CG2 3.33Å; A6-I8 PolarHBondContact O-N 3.4Å
7D85Confident80Confident67 Ų6784.4 Ų84.436%0.35846%0.464SS..  trans-56.7104172.7-176.3-0.1000108.8D5 S9 K11 K96D5-D7 PolarHBondContact O-N 2.95Å; D5-D7 VanDerWaalsContact O-N 3.13Å; D7-S9 VanDerWaalsContact OD1-CB 3.29Å; D7-S9 WeakPolarHBondContact OD1-CB 3.42Å; D7-S9 PolarHBondContact OD1-N 3.41Å; D7-S9 VanDerWaalsContact OD1-N 3.11Å; D7-S9 PolarHBondContact OD1-OG 3.5Å; D7-K11 WeakPolarHBondContact O-CE 3.42Å; D7-K11 PolarHBondContact O-NZ 3.09Å; D7-K96 WeakPolarHBondContact OD2-CE 3.49Å; D7-K96 IonicContact OD2-NZ 3.88Å
8I92Very high80.8Confident57 Ų5783.2 Ų83.229%0.29246%0.463SS..  trans-98.915.9179.354.8173.9000111.9A6 F37 F38 N94A6-I8 WeakPolarHBondContact O-CG2 3.33Å; A6-I8 PolarHBondContact O-N 3.4Å; I8-F37 VanDerWaalsContact O-CA 3.25Å; I8-F37 WeakPolarHBondContact O-CA 3.44Å; I8-F38 HydrophobicContact CB-CB 4.41Å; I8-F38 HydrophobicContact CD1-CB 4.49Å; I8-F38 HydrophobicContact CD1-CD1 4.45Å; I8-F38 PolarHBondContact O-N 3.35Å; I8-N94 HydrophobicContact CD1-CB 4.41Å; I8-N94 WeakPolarHBondContact CD1-ND2 3.44Å; I8-N94 HydrophobicContact CG1-CB 3.96Å
9S95.4Very high81.3Confident8 Ų884.5 Ų84.56%0.05647%0.473CS..SBendtrans-69.5152.916666.40000110.9D7 K11 N94D7-S9 VanDerWaalsContact OD1-CB 3.29Å; D7-S9 WeakPolarHBondContact OD1-CB 3.42Å; D7-S9 PolarHBondContact OD1-N 3.41Å; D7-S9 VanDerWaalsContact OD1-N 3.11Å; D7-S9 PolarHBondContact OD1-OG 3.5Å; S9-K11 PolarHBondContact O-N 2.88Å; S9-N94 WeakPolarHBondContact CB-O 3.43Å
10P96.9Very high81.9Confident1 Ų183.8 Ų83.81%0.00648%0.478CS..  trans-53.8123.9173.4-25.835.4000112.5P12 L34 F37 I42 V90 H92 N95 Q101P10-P12 WeakPolarHBondContact O-CD 3.4Å; P10-L34 HydrophobicContact CB-CB 4.26Å; P10-L34 HydrophobicContact CB-CD2 4.17Å; P10-F37 HydrophobicContact CB-CB 4.23Å; P10-F37 HydrophobicContact CB-CD1 4.29Å; P10-F37 HydrophobicContact CB-CG 4.45Å; P10-F37 HydrophobicContact CG-CB 3.8Å; P10-F37 HydrophobicContact CG-CD1 4.37Å; P10-F37 HydrophobicContact CG-CG 4.08Å; P10-I42 HydrophobicContact CB-CD1 4.06Å; P10-I42 HydrophobicContact CG-CD1 3.55Å; P10-V90 HydrophobicContact CB-CG1 4.04Å; P10-V90 HydrophobicContact CG-CG1 3.9Å; P10-H92 HydrophobicContact CG-CB 3.66Å; P10-N95 WeakPolarHBondContact CD-OD1 3.4Å; P10-Q101 PolarHBondContact O-NE2 2.98Å; P10-Q101 PolarHBondContact O-OE1 3.4Å
11K96.2Very high82.5Confident83 Ų8381.3 Ų81.336%0.36146%0.462SS..EExtended strand (participates in β ladder)trans-97.4112.8175-68.9174.7-172.3157.80108.8D7 S9 E35 K36D7-K11 WeakPolarHBondContact O-CE 3.42Å; D7-K11 PolarHBondContact O-NZ 3.09Å; S9-K11 PolarHBondContact O-N 2.88Å; K11-E35 PolarHBondContact N-O 3.39Å; K11-E35 PolarHBondContact O-N 3.46Å; K11-K36 HydrophobicContact CD-CB 4.33Å; K11-K36 HydrophobicContact CD-CD 4.26Å
12P97.6Very high85.1Confident52 Ų5276.1 Ų76.134%0.33841%0.405SS..EExtended strand (participates in β ladder)trans-85.7137-175.233.4-35.4000112.2P10 L33 L34 I103P10-P12 WeakPolarHBondContact O-CD 3.4Å; P12-L33 CarbonylContact C-O 3.59Å; P12-L33 VanDerWaalsContact CA-O 3.3Å; P12-L33 WeakPolarHBondContact CA-O 3.43Å; P12-L34 HydrophobicContact CB-CD2 4.05Å; P12-I103 HydrophobicContact CB-CD1 3.42Å; P12-I103 VanDerWaalsContact CB-CD1 3.42Å; P12-I103 HydrophobicContact CB-CG1 3.93Å; P12-I103 HydrophobicContact CB-CG2 4.25Å; P12-I103 HydrophobicContact CG-CD1 4Å; P12-I103 HydrophobicContact CG-CG1 4.03Å
13T97.9Very high87.4Confident56 Ų5671.6 Ų71.634%0.34439%0.39SS..EExtended strand (participates in β ladder)trans-116.2122.8162.7-59.80000107.7F15 L33 E35T13-F15 HydrophobicContact CG2-CD2 4.43Å; T13-F15 HydrophobicContact CG2-CE2 3.65Å; T13-F15 HydrophobicContact CG2-CZ 3.74Å; T13-L33 PolarHBondContact N-O 2.93Å; T13-L33 PolarHBondContact O-N 3.4Å; T13-E35 PolarHBondContact OG1-OE2 3.03Å
14I97.4Very high89.6Confident79 Ų7968.2 Ų68.241%0.40539%0.387SS..EExtended strand (participates in β ladder)trans-95.7139.4-176.966.9173.5000110.9I103 F105I14-I103 HydrophobicContact CG2-CG2 3.52Å; I14-F105 HydrophobicContact CB-CD1 4.41Å; I14-F105 HydrophobicContact CB-CE1 3.67Å; I14-F105 HydrophobicContact CB-CZ 3.81Å; I14-F105 HydrophobicContact CG2-CE1 3.96Å; I14-F105 HydrophobicContact CG2-CE2 4.06Å; I14-F105 HydrophobicContact CG2-CZ 3.58Å
15F97.5Very high91.6Very high92 Ų9267 Ų6740%0.40438%0.377SS..EExtended strand (participates in β ladder)trans-127129.9172.5-61.3-91.6000108.9T13 L31 L33T13-F15 HydrophobicContact CG2-CD2 4.43Å; T13-F15 HydrophobicContact CG2-CE2 3.65Å; T13-F15 HydrophobicContact CG2-CZ 3.74Å; F15-L31 HydrophobicContact CB-CB 3.98Å; F15-L31 HydrophobicContact CB-CD2 4.13Å; F15-L31 HydrophobicContact CB-CG 4.38Å; F15-L31 HydrophobicContact CD2-CD2 3.73Å; F15-L31 HydrophobicContact CD2-CG 4.05Å; F15-L31 HydrophobicContact CE2-CD2 4.36Å; F15-L31 HydrophobicContact CG-CD2 4.02Å; F15-L31 PolarHBondContact N-O 3.01Å; F15-L31 PolarHBondContact O-N 3.5Å; F15-L33 HydrophobicContact CE2-CB 3.94Å; F15-L33 HydrophobicContact CE2-CD2 4.29Å
16L95.9Very high93.4Very high65 Ų6566.4 Ų66.434%0.3437%0.37SS..PPolyproline II helixtrans-92.9156.7178.5-59.7-178.9000110.7S18 Y30 F105 P106 V111L16-S18 PolarHBondContact O-N 3.33Å; L16-Y30 HydrophobicContact CD2-CD1 4.19Å; L16-Y30 HydrophobicContact CD2-CE1 4.35Å; L16-F105 HydrophobicContact CD2-CD1 4Å; L16-P106 HydrophobicContact CD1-CG 4.23Å; L16-P106 HydrophobicContact CD2-CG 4.14Å; L16-V111 HydrophobicContact CD1-CG1 4.14Å; L16-V111 HydrophobicContact CD1-CG2 3.91Å
17P95.9Very high94.4Very high14 Ų1465.2 Ų65.29%0.09136%0.355CS..PPolyproline II helixtrans-47136.9170.4-29.631.6000112.7T22 T29 Y30 I108P17-T22 HydrophobicContact CB-CG2 3.74Å; P17-T29 WeakPolarHBondContact CA-O 3.31Å; P17-T29 WeakPolarHBondContact CD-O 3.16Å; P17-Y30 VanDerWaalsContact CD-CD1 3.49Å; P17-Y30 HydrophobicContact CG-CD1 4.07Å; P17-Y30 HydrophobicContact CG-CD2 4.4Å; P17-Y30 HydrophobicContact CG-CE1 3.95Å; P17-Y30 HydrophobicContact CG-CE2 4.29Å; P17-Y30 HydrophobicContact CG-CG 4.3Å; P17-I108 HydrophobicContact CB-CD1 4.05Å; P17-I108 HydrophobicContact CG-CD1 3.8Å; P17-I108 HydrophobicContact CG-CG1 4.26Å
18S93.3Very high95Very high63 Ų6362 Ų6244%0.44134%0.338SS..PPolyproline II helixtrans-73.3146.2176.577.10000110.6L16 A20 E21 T22L16-S18 PolarHBondContact O-N 3.33Å; S18-A20 PolarHBondContact O-N 2.95Å; S18-E21 PolarHBondContact O-N 2.96Å; S18-E21 VanDerWaalsContact O-N 3.15Å; S18-E21 VanDerWaalsContact OG-CB 3.25Å; S18-E21 WeakPolarHBondContact OG-CB 3.25Å; S18-E21 PolarHBondContact OG-N 3.16Å; S18-T22 WeakPolarHBondContact O-CG2 3.4Å; S18-T22 PolarHBondContact O-N 2.92Å; S18-T22 PolarHBondContact O-OG1 3.23Å
19V91.1Very high95.3Very high107 Ų10761 Ų6165%0.64834%0.335SS*.Hα-helixtrans-57.6-37176.41780000111T22 N23V19-T22 WeakPolarHBondContact CA-OG1 3.33Å; V19-T22 PolarHBondContact O-N 3.1Å; V19-T22 PolarHBondContact O-OG1 2.83Å; V19-N23 WeakPolarHBondContact CG1-ND2 3.36Å; V19-N23 WeakPolarHBondContact O-CB 3.48Å; V19-N23 VanDerWaalsContact O-CG 3.26Å; V19-N23 PolarHBondContact O-N 2.94Å; V19-N23 PolarHBondContact O-ND2 3.46Å
20A93.1Very high95.4Very high70 Ų7060.7 Ų60.758%0.57933%0.332SS*.Hα-helixtrans-62.1-48.1177.100000112S18 N23 L24S18-A20 PolarHBondContact O-N 2.95Å; A20-N23 PolarHBondContact O-N 2.82Å; A20-L24 VanDerWaalsContact O-CB 3.23Å; A20-L24 WeakPolarHBondContact O-CB 3.36Å; A20-L24 PolarHBondContact O-N 3Å
21E94.9Very high95.5Very high33 Ų3362.8 Ų62.815%0.15434%0.343CS..Hα-helixtrans-58.4-49.7175.9-174.4-164.1-178.600111.1S18 N23 L24 H25 K26 T27 T29S18-E21 PolarHBondContact O-N 2.96Å; S18-E21 VanDerWaalsContact O-N 3.15Å; S18-E21 VanDerWaalsContact OG-CB 3.25Å; S18-E21 WeakPolarHBondContact OG-CB 3.25Å; S18-E21 PolarHBondContact OG-N 3.16Å; E21-N23 VanDerWaalsContact C-N 3.26Å; E21-N23 PolarHBondContact O-N 2.89Å; E21-L24 PolarHBondContact O-N 3.33Å; E21-H25 PolarHBondContact O-N 3.27Å; E21-K26 PolarHBondContact O-N 3.41Å; E21-T27 CarbonylContact C-O 3.59Å; E21-T29 VanDerWaalsContact CD-N 3.33Å; E21-T29 WeakPolarHBondContact OE1-CB 3.43Å; E21-T29 PolarHBondContact OE1-N 3.42Å; E21-T29 PolarHBondContact OE1-OG1 3.23Å; E21-T29 PolarHBondContact OE2-N 2.75Å
22T92.9Very high95.6Very high17 Ų1758.9 Ų58.910%0.10433%0.326CS..Hα-helixtrans-64-31.3-177.461.50000113.2P17 S18 V19 T27 M82P17-T22 HydrophobicContact CB-CG2 3.74Å; S18-T22 WeakPolarHBondContact O-CG2 3.4Å; S18-T22 PolarHBondContact O-N 2.92Å; S18-T22 PolarHBondContact O-OG1 3.23Å; V19-T22 WeakPolarHBondContact CA-OG1 3.33Å; V19-T22 PolarHBondContact O-N 3.1Å; V19-T22 PolarHBondContact O-OG1 2.83Å; T22-T27 WeakPolarHBondContact CA-O 3.31Å; T22-M82 HydrophobicContact CG2-CE 4.22Å; T22-M82 HydrophobicContact CG2-SD 3.57Å; T22-M82 VanDerWaalsContact CG2-SD 3.57Å
23N90.9Very high95.6Very high106 Ų10657.2 Ų57.257%0.56732%0.315SS*.Hα-helixtrans-83.5-43.8179.8-73.4-23.2000112.3V19 A20 E21V19-N23 WeakPolarHBondContact CG1-ND2 3.36Å; V19-N23 WeakPolarHBondContact O-CB 3.48Å; V19-N23 VanDerWaalsContact O-CG 3.26Å; V19-N23 PolarHBondContact O-N 2.94Å; V19-N23 PolarHBondContact O-ND2 3.46Å; A20-N23 PolarHBondContact O-N 2.82Å; E21-N23 VanDerWaalsContact C-N 3.26Å; E21-N23 PolarHBondContact O-N 2.89Å
24L94.1Very high95.6Very high136 Ų13654.6 Ų54.671%0.71230%0.298SS*.Hα-helixtrans-82.2-44.6-173.1-175.263.6000112.5A20 E21A20-L24 VanDerWaalsContact O-CB 3.23Å; A20-L24 WeakPolarHBondContact O-CB 3.36Å; A20-L24 PolarHBondContact O-N 3Å; E21-L24 PolarHBondContact O-N 3.33Å
25H94.8Very high95.6Very high121 Ų12153.3 Ų53.356%0.5629%0.291SS*.THydrogen-bonded Turntrans-104-9.1-172.2-62.7-53.3000113.7E21 T27E21-H25 PolarHBondContact O-N 3.27Å; H25-T27 PolarHBondContact O-N 2.96Å; H25-T27 VanDerWaalsContact O-N 3.16Å
26K94.4Very high95.5Very high99 Ų9954.6 Ų54.643%0.4330%0.296SS..SBendtrans54.931.2-176.3-56.7-58.1-167.9167.90112.6E21 E79E21-K26 PolarHBondContact O-N 3.41Å; K26-E79 HydrophobicContact CB-CB 4.37Å; K26-E79 IonicContact NZ-OE1 3.75Å; K26-E79 WeakPolarHBondContact O-CB 3.36Å; K26-E79 PolarHBondContact O-N 3.49Å
27T96.1Very high95.5Very high43 Ų4351.5 Ų51.526%0.26428%0.28SS..EExtended strand (participates in β ladder)trans-128.4162.6174.156.20000109.2E21 T22 H25 V77 M82E21-T27 CarbonylContact C-O 3.59Å; T22-T27 WeakPolarHBondContact CA-O 3.31Å; H25-T27 PolarHBondContact O-N 2.96Å; H25-T27 VanDerWaalsContact O-N 3.16Å; T27-V77 CarbonylContact C-O 3.55Å; T27-V77 VanDerWaalsContact CA-O 3.28Å; T27-V77 WeakPolarHBondContact CA-O 3.45Å; T27-M82 VanDerWaalsContact C-SD 3.58Å
28G96.3Very high95.5Very high0 Ų055.3 Ų55.30%030%0.295CS..EExtended strand (participates in β ladder)trans-138.2129.4171.700000111.4T76 V77G28-T76 WeakPolarHBondContact O-CA 3.28Å; G28-V77 PolarHBondContact N-O 2.87Å; G28-V77 PolarHBondContact O-N 2.85Å
29T97.8Very high95.6Very high37 Ų3753.3 Ų53.323%0.22728%0.28CS..EExtended strand (participates in β ladder)trans-101.8112.1176.5-60.20000110.6P17 E21 W74 L75 T76P17-T29 WeakPolarHBondContact CA-O 3.31Å; P17-T29 WeakPolarHBondContact CD-O 3.16Å; E21-T29 VanDerWaalsContact CD-N 3.33Å; E21-T29 WeakPolarHBondContact OE1-CB 3.43Å; E21-T29 PolarHBondContact OE1-N 3.42Å; E21-T29 PolarHBondContact OE1-OG1 3.23Å; E21-T29 PolarHBondContact OE2-N 2.75Å; T29-W74 HydrophobicContact CG2-CB 3.97Å; T29-W74 HydrophobicContact CG2-CG 4.29Å; T29-L75 WeakPolarHBondContact CA-O 3.41Å; T29-T76 PolarHBondContact OG1-OG1 3.39Å
30Y98.2Very high95.8Very high0 Ų051.7 Ų51.70%027%0.268CS..EExtended strand (participates in β ladder)trans-86132.4168.3-58-85.7000108.7L16 P17 W74 L75 V77 H86 F105 I108L16-Y30 HydrophobicContact CD2-CD1 4.19Å; L16-Y30 HydrophobicContact CD2-CE1 4.35Å; P17-Y30 VanDerWaalsContact CD-CD1 3.49Å; P17-Y30 HydrophobicContact CG-CD1 4.07Å; P17-Y30 HydrophobicContact CG-CD2 4.4Å; P17-Y30 HydrophobicContact CG-CE1 3.95Å; P17-Y30 HydrophobicContact CG-CE2 4.29Å; P17-Y30 HydrophobicContact CG-CG 4.3Å; Y30-W74 CarbonylContact O-C 3.59Å; Y30-W74 WeakPolarHBondContact O-CA 3.17Å; Y30-W74 VanDerWaalsContact O-CB 3.24Å; Y30-W74 WeakPolarHBondContact O-CB 3.29Å; Y30-L75 HydrophobicContact CD2-CD2 4.41Å; Y30-L75 PolarHBondContact N-O 3.3Å; Y30-L75 PolarHBondContact O-N 2.86Å; Y30-V77 HydrophobicContact CD2-CG1 4.45Å; Y30-V77 HydrophobicContact CD2-CG2 4.46Å; Y30-V77 HydrophobicContact CE2-CG1 4.34Å; Y30-V77 HydrophobicContact CE2-CG2 3.74Å; Y30-H86 AromaticContact CE2-CE1 3.75Å; Y30-H86 AromaticContact CE2-ND1 3.61Å; Y30-H86 AromaticContact CZ-ND1 3.67Å; Y30-F105 HydrophobicContact CD1-CB 3.98Å; Y30-F105 AromaticContact CD1-CD1 3.72Å; Y30-F105 HydrophobicContact CD1-CD1 3.72Å; Y30-F105 HydrophobicContact CD1-CG 4.18Å; Y30-F105 HydrophobicContact CE1-CB 4.31Å; Y30-F105 HydrophobicContact CG-CD1 4.27Å; Y30-I108 HydrophobicContact CE1-CD1 4.44Å
31L98.4Very high96Very high46 Ų4653.3 Ų53.324%0.24127%0.271CS..EExtended strand (participates in β ladder)trans-125.7133.4-179.4167.781.5000109.7F15 F72 W74F15-L31 HydrophobicContact CB-CB 3.98Å; F15-L31 HydrophobicContact CB-CD2 4.13Å; F15-L31 HydrophobicContact CB-CG 4.38Å; F15-L31 HydrophobicContact CD2-CD2 3.73Å; F15-L31 HydrophobicContact CD2-CG 4.05Å; F15-L31 HydrophobicContact CE2-CD2 4.36Å; F15-L31 HydrophobicContact CG-CD2 4.02Å; F15-L31 PolarHBondContact N-O 3.01Å; F15-L31 PolarHBondContact O-N 3.5Å; L31-F72 HydrophobicContact CD1-CB 4.24Å; L31-F72 HydrophobicContact CD1-CD1 4.29Å; L31-W74 HydrophobicContact CB-CB 4.21Å; L31-W74 HydrophobicContact CD1-CB 3.88Å; L31-W74 HydrophobicContact CD1-CE3 4.16Å
32C98.5Very high96.2Very high0 Ų052.6 Ų52.60%027%0.268CS..EExtended strand (participates in β ladder)trans-117.4115.4175.7-171.80000109W46 S73 C88 I103 F105C32-W46 HydrophobicContact CB-CH2 3.98Å; C32-W46 HydrophobicContact CB-CZ2 3.67Å; C32-S73 PolarHBondContact N-O 2.99Å; C32-S73 PolarHBondContact O-N 3Å; C32-C88 HydrophobicContact CB-CB 4.35Å; C32-I103 VanDerWaalsContact SG-CD1 3.55Å; C32-F105 HydrophobicContact CB-CE2 4.42Å; C32-F105 HydrophobicContact CB-CZ 3.94Å
33L98.3Very high96.4Very high18 Ų1860.5 Ų60.59%0.09430%0.295CS..EExtended strand (participates in β ladder)trans-96.9121.5171.4165.453.9000108.6P12 T13 F15 E35 F72P12-L33 CarbonylContact C-O 3.59Å; P12-L33 VanDerWaalsContact CA-O 3.3Å; P12-L33 WeakPolarHBondContact CA-O 3.43Å; T13-L33 PolarHBondContact N-O 2.93Å; T13-L33 PolarHBondContact O-N 3.4Å; F15-L33 HydrophobicContact CE2-CB 3.94Å; F15-L33 HydrophobicContact CE2-CD2 4.29Å; L33-E35 HydrophobicContact CD1-CG 3.56Å; L33-E35 HydrophobicContact CD2-CG 4.06Å; L33-E35 HydrophobicContact CG-CG 3.61Å; L33-F72 HydrophobicContact CB-CD1 4.02Å; L33-F72 HydrophobicContact CB-CE1 4.04Å; L33-F72 HydrophobicContact CD1-CD1 3.79Å; L33-F72 HydrophobicContact CD1-CD2 4.46Å; L33-F72 HydrophobicContact CD1-CE1 3.42Å; L33-F72 VanDerWaalsContact CD1-CE1 3.42Å; L33-F72 HydrophobicContact CD1-CE2 4.12Å; L33-F72 HydrophobicContact CD1-CG 4.3Å; L33-F72 HydrophobicContact CD1-CZ 3.59Å; L33-F72 HydrophobicContact CD2-CE1 3.9Å; L33-F72 HydrophobicContact CD2-CZ 4.37Å; L33-F72 HydrophobicContact CG-CD1 4.34Å; L33-F72 HydrophobicContact CG-CE1 3.95Å; L33-F72 HydrophobicContact CG-CZ 4.49Å
34L98Very high96.7Very high0 Ų055.9 Ų55.90%027%0.271CS..EExtended strand (participates in β ladder)trans-106.9121.5178.3-59.4172.9000108.7P10 P12 F37 I42 V44 M70 K71 V90 I103P10-L34 HydrophobicContact CB-CB 4.26Å; P10-L34 HydrophobicContact CB-CD2 4.17Å; P12-L34 HydrophobicContact CB-CD2 4.05Å; L34-F37 HydrophobicContact CB-CD1 4.36Å; L34-F37 HydrophobicContact CB-CE1 4.08Å; L34-F37 WeakPolarHBondContact O-CE1 3.33Å; L34-I42 HydrophobicContact CB-CD1 4.43Å; L34-I42 HydrophobicContact CD1-CD1 3.65Å; L34-V44 HydrophobicContact CD1-CG2 3.48Å; L34-V44 VanDerWaalsContact CD1-CG2 3.48Å; L34-M70 CarbonylContact O-C 3.55Å; L34-M70 WeakPolarHBondContact O-CA 3.37Å; L34-M70 WeakPolarHBondContact O-CB 3.23Å; L34-K71 PolarHBondContact N-O 3.48Å; L34-K71 PolarHBondContact O-N 2.92Å; L34-V90 HydrophobicContact CD1-CB 4.48Å; L34-V90 HydrophobicContact CD1-CG1 3.89Å; L34-V90 HydrophobicContact CD1-CG2 3.71Å; L34-V90 HydrophobicContact CD2-CG1 4.45Å; L34-V90 HydrophobicContact CD2-CG2 3.75Å; L34-V90 HydrophobicContact CG-CG2 4.38Å; L34-I103 HydrophobicContact CD2-CD1 3.84Å
35E96.8Very high96.9Very high53 Ų5352 Ų5225%0.24825%0.247CC..EExtended strand (participates in β ladder)trans-127.5160.7-172.6-60.9179.887.300113.2K11 T13 L33 F37 M70K11-E35 PolarHBondContact N-O 3.39Å; K11-E35 PolarHBondContact O-N 3.46Å; T13-E35 PolarHBondContact OG1-OE2 3.03Å; L33-E35 HydrophobicContact CD1-CG 3.56Å; L33-E35 HydrophobicContact CD2-CG 4.06Å; L33-E35 HydrophobicContact CG-CG 3.61Å; E35-F37 PolarHBondContact O-N 3.38Å; E35-M70 HydrophobicContact CG-CB 4.35Å
36K95.3Very high97.1Very high119 Ų11946.2 Ų46.252%0.51722%0.221SC..EExtended strand (participates in β ladder)trans6029.4168.6-59173.3-176.5168.20113.9K11 Y69K11-K36 HydrophobicContact CD-CB 4.33Å; K11-K36 HydrophobicContact CD-CD 4.26Å; K36-Y69 PolarHBondContact N-O 2.93Å
37F96.1Very high97.3Very high0 Ų043.2 Ų43.20%021%0.208CC..EExtended strand (participates in β ladder)trans-98.1155.617864.6-91.5000112.7I8 P10 L34 E35 P39 I42 T62 Y69 K71 H92I8-F37 VanDerWaalsContact O-CA 3.25Å; I8-F37 WeakPolarHBondContact O-CA 3.44Å; P10-F37 HydrophobicContact CB-CB 4.23Å; P10-F37 HydrophobicContact CB-CD1 4.29Å; P10-F37 HydrophobicContact CB-CG 4.45Å; P10-F37 HydrophobicContact CG-CB 3.8Å; P10-F37 HydrophobicContact CG-CD1 4.37Å; P10-F37 HydrophobicContact CG-CG 4.08Å; L34-F37 HydrophobicContact CB-CD1 4.36Å; L34-F37 HydrophobicContact CB-CE1 4.08Å; L34-F37 WeakPolarHBondContact O-CE1 3.33Å; E35-F37 PolarHBondContact O-N 3.38Å; F37-P39 VanDerWaalsContact CD2-O 3.24Å; F37-P39 WeakPolarHBondContact CD2-O 3.45Å; F37-I42 HydrophobicContact CD1-CD1 4.31Å; F37-I42 HydrophobicContact CD2-CD1 4.29Å; F37-I42 HydrophobicContact CE1-CD1 4.07Å; F37-I42 HydrophobicContact CE2-CB 4.07Å; F37-I42 HydrophobicContact CE2-CD1 4.07Å; F37-I42 HydrophobicContact CE2-CG2 3.93Å; F37-I42 HydrophobicContact CG-CD1 4.42Å; F37-I42 HydrophobicContact CZ-CB 4.42Å; F37-I42 HydrophobicContact CZ-CD1 3.97Å; F37-I42 HydrophobicContact CZ-CG2 3.91Å; F37-T62 HydrophobicContact CE2-CG2 4.25Å; F37-T62 HydrophobicContact CZ-CG2 3.99Å; F37-Y69 WeakPolarHBondContact CD1-O 3.34Å; F37-Y69 PolarHBondContact N-O 3.47Å; F37-Y69 PolarHBondContact O-N 3.32Å; F37-K71 HydrophobicContact CE1-CB 4.19Å; F37-K71 HydrophobicContact CZ-CB 4Å; F37-H92 AromaticContact CD2-NE2 3.78Å
38F95.6Very high97.3Very high94 Ų9443.8 Ų43.841%0.41221%0.207SC..SBendtrans-152137.6172.3178.8-83.9000108.5I8 Y69 H92 N94I8-F38 HydrophobicContact CB-CB 4.41Å; I8-F38 HydrophobicContact CD1-CB 4.49Å; I8-F38 HydrophobicContact CD1-CD1 4.45Å; I8-F38 PolarHBondContact O-N 3.35Å; F38-Y69 HydrophobicContact CD2-CD2 4.1Å; F38-Y69 AromaticContact CD2-CE2 3.56Å; F38-Y69 HydrophobicContact CD2-CE2 3.56Å; F38-Y69 AromaticContact CE2-CE2 3.93Å; F38-Y69 HydrophobicContact CE2-CE2 3.93Å; F38-H92 PolarHBondContact O-CE1 2.96Å; F38-N94 PolarHBondContact O-ND2 3.18Å
39P95.9Very high97.3Very high20 Ų2047.6 Ų47.613%0.1322%0.224CC..SBendcis-73.7179.8-0.533.2-38.5000112.2F37 V41 H92 E93F37-P39 VanDerWaalsContact CD2-O 3.24Å; F37-P39 WeakPolarHBondContact CD2-O 3.45Å; P39-V41 VanDerWaalsContact C-N 3.28Å; P39-V41 PolarHBondContact O-N 3.41Å; P39-H92 PolarHBondContact O-NE2 3.05Å; P39-E93 WeakPolarHBondContact CD-OE1 3.48Å; P39-E93 VanDerWaalsContact CG-CD 3.43Å; P39-E93 HydrophobicContact CG-CG 3.93Å; P39-E93 VanDerWaalsContact CG-OE1 3.22Å; P39-E93 WeakPolarHBondContact CG-OE1 3.27Å
40D96.2Very high97Very high74 Ų7453 Ų5340%0.39625%0.251SS..SBendtrans-72.3-16.3-178.359.4-35.4000114.4I42 T62 Y69D40-I42 PolarHBondContact O-N 3.31Å; D40-T62 HydrophobicContact CB-CG2 3.89Å; D40-Y69 HydrophobicContact CB-CD1 3.71Å; D40-Y69 HydrophobicContact CB-CD2 3.67Å; D40-Y69 HydrophobicContact CB-CE1 3.76Å; D40-Y69 HydrophobicContact CB-CE2 3.69Å; D40-Y69 HydrophobicContact CB-CG 3.67Å
41V96.9Very high96.8Very high103 Ų10353.8 Ų53.862%0.62426%0.26SS*.  trans-71.9110.1178.2-175.10000110.1P39 H92P39-V41 VanDerWaalsContact C-N 3.28Å; P39-V41 PolarHBondContact O-N 3.41Å; V41-H92 PolarHBondContact O-CD2 3.06Å; V41-H92 VanDerWaalsContact O-CD2 3.31Å
42I97.7Very high96.6Very high18 Ų1859 Ų599%0.09229%0.288CS..  trans-143.1145.1-178.8-168.5168.8000109.2P10 L34 F37 D40 V44 K71 V90 H92P10-I42 HydrophobicContact CB-CD1 4.06Å; P10-I42 HydrophobicContact CG-CD1 3.55Å; L34-I42 HydrophobicContact CB-CD1 4.43Å; L34-I42 HydrophobicContact CD1-CD1 3.65Å; F37-I42 HydrophobicContact CD1-CD1 4.31Å; F37-I42 HydrophobicContact CD2-CD1 4.29Å; F37-I42 HydrophobicContact CE1-CD1 4.07Å; F37-I42 HydrophobicContact CE2-CB 4.07Å; F37-I42 HydrophobicContact CE2-CD1 4.07Å; F37-I42 HydrophobicContact CE2-CG2 3.93Å; F37-I42 HydrophobicContact CG-CD1 4.42Å; F37-I42 HydrophobicContact CZ-CB 4.42Å; F37-I42 HydrophobicContact CZ-CD1 3.97Å; F37-I42 HydrophobicContact CZ-CG2 3.91Å; D40-I42 PolarHBondContact O-N 3.31Å; I42-V44 HydrophobicContact CG1-CG2 4.37Å; I42-K71 HydrophobicContact CG2-CD 3.46Å; I42-K71 VanDerWaalsContact CG2-CD 3.46Å; I42-V90 HydrophobicContact CD1-CG1 3.66Å; I42-V90 HydrophobicContact CG1-CG1 3.89Å; I42-H92 HydrophobicContact CG1-CB 4.35Å
43R97.5Very high96.5Very high183 Ų18364.1 Ų64.169%0.69132%0.319SS*.EExtended strand (participates in β ladder)trans-120.8132.6171.3-60.3179.7179.8168.30.2109.6K91R43-K91 HydrophobicContact CB-CB 4.18Å; R43-K91 HydrophobicContact CB-CG 4.5Å; R43-K91 PolarHBondContact N-O 2.96Å; R43-K91 PolarHBondContact O-N 2.91Å
44V98.4Very high96.5Very high9 Ų968.5 Ų68.56%0.05534%0.342CS..EExtended strand (participates in β ladder)trans-124136.6179.3-168.70000108.7L34 I42 C88 I89 V90L34-V44 HydrophobicContact CD1-CG2 3.48Å; L34-V44 VanDerWaalsContact CD1-CG2 3.48Å; I42-V44 HydrophobicContact CG1-CG2 4.37Å; V44-C88 WeakPolarHBondContact CG1-SG 3.06Å; V44-I89 WeakPolarHBondContact CA-O 3.44Å; V44-V90 HydrophobicContact CG1-CG2 4.38Å
45Y98.2Very high96.5Very high54 Ų5470.4 Ų70.421%0.21235%0.351CS..EExtended strand (participates in β ladder)trans-150.2158.417261.1-85.8000110.5I54 I89 K91Y45-I54 HydrophobicContact CD2-CD1 4.37Å; Y45-I54 HydrophobicContact CD2-CG1 4.08Å; Y45-I89 HydrophobicContact CD1-CB 4.13Å; Y45-I89 HydrophobicContact CD1-CG2 4.48Å; Y45-I89 HydrophobicContact CD2-CB 3.95Å; Y45-I89 HydrophobicContact CD2-CG1 4.05Å; Y45-I89 HydrophobicContact CE1-CB 3.73Å; Y45-I89 HydrophobicContact CE1-CG2 3.65Å; Y45-I89 HydrophobicContact CE2-CB 3.55Å; Y45-I89 HydrophobicContact CE2-CG1 3.55Å; Y45-I89 HydrophobicContact CE2-CG2 3.96Å; Y45-I89 HydrophobicContact CG-CB 4.24Å; Y45-I89 VanDerWaalsContact CZ-CB 3.45Å; Y45-I89 PolarHBondContact N-O 2.94Å; Y45-I89 PolarHBondContact O-N 3.43Å; Y45-I89 VanDerWaalsContact OH-CG2 3.29Å; Y45-I89 WeakPolarHBondContact OH-CG2 3.32Å; Y45-K91 HydrophobicContact CE1-CD 3.93Å; Y45-K91 HydrophobicContact CE1-CG 3.97Å; Y45-K91 WeakPolarHBondContact OH-CE 3.4Å
46W98.7Very high96.5Very high0 Ų075.2 Ų75.20%038%0.379CS..EExtended strand (participates in β ladder)trans-115.1148.6-175-66.774.6000111.4C32 I54 L55 S73 L75 S87 C88 F105C32-W46 HydrophobicContact CB-CH2 3.98Å; C32-W46 HydrophobicContact CB-CZ2 3.67Å; W46-I54 CarbonylContact O-C 3.5Å; W46-I54 WeakPolarHBondContact O-CA 3.3Å; W46-L55 HydrophobicContact CB-CB 4.24Å; W46-L55 PolarHBondContact O-N 3.34Å; W46-S73 PolarHBondContact NE1-OG 2.84Å; W46-L75 HydrophobicContact CB-CB 4.38Å; W46-L75 HydrophobicContact CB-CD1 4.28Å; W46-L75 HydrophobicContact CB-CD2 4.05Å; W46-L75 HydrophobicContact CB-CG 4.45Å; W46-L75 HydrophobicContact CD2-CB 3.61Å; W46-L75 HydrophobicContact CD2-CD2 4.16Å; W46-L75 HydrophobicContact CD2-CG 4.44Å; W46-L75 HydrophobicContact CE3-CB 3.76Å; W46-L75 HydrophobicContact CE3-CD2 3.74Å; W46-L75 HydrophobicContact CE3-CG 4.38Å; W46-L75 HydrophobicContact CG-CB 3.91Å; W46-L75 HydrophobicContact CG-CD2 4.32Å; W46-L75 HydrophobicContact CG-CG 4.49Å; W46-L75 HydrophobicContact CZ2-CB 4.46Å; W46-L75 HydrophobicContact CZ3-CB 4.22Å; W46-L75 HydrophobicContact CZ3-CD2 4.49Å; W46-S87 WeakPolarHBondContact CA-O 3.46Å; W46-C88 HydrophobicContact CD2-CB 3.9Å; W46-C88 HydrophobicContact CE3-CB 3.87Å; W46-C88 HydrophobicContact CH2-CB 3.82Å; W46-C88 HydrophobicContact CZ2-CB 3.8Å; W46-C88 HydrophobicContact CZ3-CB 3.84Å; W46-F105 HydrophobicContact CH2-CD1 4.47Å; W46-F105 AromaticContact CH2-CD2 3.99Å; W46-F105 HydrophobicContact CH2-CD2 3.99Å; W46-F105 AromaticContact CH2-CE1 3.98Å; W46-F105 HydrophobicContact CH2-CE1 3.98Å; W46-F105 AromaticContact CH2-CE2 3.48Å; W46-F105 HydrophobicContact CH2-CE2 3.48Å; W46-F105 VanDerWaalsContact CH2-CE2 3.48Å; W46-F105 HydrophobicContact CH2-CG 4.46Å; W46-F105 AromaticContact CH2-CZ 3.47Å; W46-F105 HydrophobicContact CH2-CZ 3.47Å; W46-F105 VanDerWaalsContact CH2-CZ 3.47Å; W46-F105 HydrophobicContact CZ3-CD1 4.37Å; W46-F105 AromaticContact CZ3-CD2 3.57Å; W46-F105 HydrophobicContact CZ3-CD2 3.57Å; W46-F105 HydrophobicContact CZ3-CE1 4.33Å; W46-F105 AromaticContact CZ3-CE2 3.55Å; W46-F105 HydrophobicContact CZ3-CE2 3.55Å; W46-F105 HydrophobicContact CZ3-CG 4.01Å; W46-F105 AromaticContact CZ3-CZ 3.95Å; W46-F105 HydrophobicContact CZ3-CZ 3.95Å
47K98.2Very high96.7Very high36 Ų3671 Ų7116%0.15737%0.365CS..EExtended strand (participates in β ladder)trans-144160.8173.566.9-179.6-159.4-166.70110.1G51 H86 S87 I89 E102K47-G51 WeakPolarHBondContact CD-O 3.05Å; K47-H86 CarbonylContact O-C 3.57Å; K47-H86 WeakPolarHBondContact O-CA 3.36Å; K47-S87 PolarHBondContact N-O 2.86Å; K47-S87 PolarHBondContact O-N 3.37Å; K47-I89 HydrophobicContact CD-CD1 4.22Å; K47-I89 HydrophobicContact CD-CG1 4.13Å; K47-I89 HydrophobicContact CG-CG1 4.32Å; K47-E102 WeakPolarHBondContact CE-OE1 3.28Å; K47-E102 IonicContact NZ-OE1 3.05Å; K47-E102 PolarHBondContact NZ-OE1 3.37Å; K47-E102 VanDerWaalsContact NZ-OE1 3.12Å; K47-E102 IonicContact NZ-OE2 3.4Å; K47-E102 PolarHBondContact NZ-OE2 3.18Å; K47-E102 VanDerWaalsContact NZ-OE2 3.1Å
48E97.3Very high96.8Very high56 Ų5676 Ų7626%0.26239%0.388SS..EExtended strand (participates in β ladder)trans-67.2142.7159.9-64.7-176.1-176.800108.4N50 G51 L55 K84E48-N50 PolarHBondContact O-N 2.96Å; E48-N50 VanDerWaalsContact O-N 3.12Å; E48-G51 WeakPolarHBondContact O-CA 3.44Å; E48-G51 PolarHBondContact O-N 2.89Å; E48-G51 VanDerWaalsContact O-O 3.1Å; E48-L55 HydrophobicContact CG-CD1 4.3Å; E48-K84 HydrophobicContact CG-CD 4.28Å; E48-K84 WeakPolarHBondContact OE1-CD 3.41Å; E48-K84 WeakPolarHBondContact OE1-CE 3.41Å; E48-K84 IonicContact OE1-NZ 3.59Å; E48-K84 PolarHBondContact OE1-NZ 3.02Å; E48-K84 VanDerWaalsContact OE2-CD 3.26Å; E48-K84 WeakPolarHBondContact OE2-CD 3.35Å; E48-K84 IonicContact OE2-NZ 3.35Å; E48-K84 PolarHBondContact OE2-NZ 2.88Å
49K95.1Very high96.9Very high79 Ų7975.6 Ų75.634%0.34339%0.387SS..THydrogen-bonded Turntrans-50.8-43.9-174-175.4-156-162.1150.90113.4E85 F104K49-E85 HydrophobicContact CB-CB 3.96Å; K49-E85 HydrophobicContact CD-CB 4.22Å; K49-E85 WeakPolarHBondContact CD-OE2 3.25Å; K49-E85 PolarHBondContact N-O 3.36Å; K49-E85 IonicContact NZ-OE1 3.12Å; K49-E85 IonicContact NZ-OE2 2.82Å; K49-E85 PolarHBondContact NZ-OE2 3.06Å; K49-F104 HydrophobicContact CB-CE2 4.32Å; K49-F104 HydrophobicContact CD-CD2 4.2Å; K49-F104 HydrophobicContact CD-CE2 3.6Å; K49-F104 HydrophobicContact CG-CD2 4.17Å; K49-F104 HydrophobicContact CG-CE2 3.95Å
50N92.6Very high96.9Very high150 Ų15075.5 Ų75.580%0.80239%0.39SS*.THydrogen-bonded Turntrans-98.28.6-179.3-59.3-25000112.7E48E48-N50 PolarHBondContact O-N 2.96Å; E48-N50 VanDerWaalsContact O-N 3.12Å
51G94Very high97Very high17 Ų1778.4 Ų78.418%0.17541%0.406CS..  trans-107.1154.1179.400000111.4K47 E48K47-G51 WeakPolarHBondContact CD-O 3.05Å; E48-G51 WeakPolarHBondContact O-CA 3.44Å; E48-G51 PolarHBondContact O-N 2.89Å; E48-G51 VanDerWaalsContact O-O 3.1Å
52N93.9Very high97Very high155 Ų15575.9 Ų75.983%0.82939%0.39SS*.  trans-105.3-5.8173.7-66.9-19.1000112.6
53T96.6Very high97Very high109 Ų10978.9 Ų78.967%0.66941%0.406SS*.SBendtrans-76.6126.3179.1-53.70000109.9
54I97.2Very high97Very high110 Ų11077.6 Ų77.656%0.56441%0.406SS*.EExtended strand (participates in β ladder)trans-68.8131.3172.3-62.2174.8000108.4Y45 W46Y45-I54 HydrophobicContact CD2-CD1 4.37Å; Y45-I54 HydrophobicContact CD2-CG1 4.08Å; W46-I54 CarbonylContact O-C 3.5Å; W46-I54 WeakPolarHBondContact O-CA 3.3Å
55L97.9Very high96.7Very high39 Ų3979.3 Ų79.320%0.20442%0.416CS..EExtended strand (participates in β ladder)trans-89147.7176.4-61.2174.8000110.3W46 E48 S57 L75W46-L55 HydrophobicContact CB-CB 4.24Å; W46-L55 PolarHBondContact O-N 3.34Å; E48-L55 HydrophobicContact CG-CD1 4.3Å; L55-S57 PolarHBondContact O-N 3.01Å; L55-L75 HydrophobicContact CB-CD1 3.7Å; L55-L75 HydrophobicContact CD1-CD1 4.13Å; L55-L75 HydrophobicContact CD1-CD2 3.64Å
56D97.8Very high96.3Very high155 Ų15586.9 Ų86.983%0.82945%0.45SS*.  trans-66.9115.9172.6-172.534.7000109.3L75D56-L75 VanDerWaalsContact O-CD1 3.25Å; D56-L75 WeakPolarHBondContact O-CD1 3.41Å
57S98.1Very high95.9Very high30 Ų3089.5 Ų89.521%0.2148%0.477CS..  trans-138.8157.2-172.755.90000109.6L55L55-S57 PolarHBondContact O-N 3.01Å
58Q98.3Very high95.8Very high106 Ų10689.2 Ų89.250%0.49548%0.479SS..EExtended strand (participates in β ladder)trans-112.7151.5-177.6-68.4171.785.300109.7S73 W74Q58-S73 CarbonylContact O-C 3.48Å; Q58-S73 VanDerWaalsContact O-CA 3.32Å; Q58-S73 WeakPolarHBondContact O-CA 3.38Å; Q58-S73 PolarHBondContact O-OG 3.02Å; Q58-S73 VanDerWaalsContact O-OG 3.11Å; Q58-W74 HydrophobicContact CB-CD2 4.01Å; Q58-W74 HydrophobicContact CB-CG 4.39Å; Q58-W74 HydrophobicContact CB-CH2 4.28Å; Q58-W74 HydrophobicContact CB-CZ2 3.52Å; Q58-W74 HydrophobicContact CG-CZ2 4.42Å; Q58-W74 PolarHBondContact N-O 3.42Å; Q58-W74 VanDerWaalsContact NE2-NE1 3.17Å; Q58-W74 PolarHBondContact O-N 2.66Å
59E97.9Very high95.8Very high84 Ų8488.5 Ų88.539%0.39347%0.474SS..EExtended strand (participates in β ladder)trans-133.3141-179.6-63.1-175.5-106.400109.7K71 F72E59-K71 WeakPolarHBondContact OE2-CE 3.46Å; E59-K71 IonicContact OE2-NZ 3.59Å; E59-F72 WeakPolarHBondContact CA-O 3.41Å
60G96.8Very high95.9Very high19 Ų1986.2 Ų86.220%0.19646%0.464CS..PPolyproline II helixtrans-86.1168168.700000111.7K71 F72G60-K71 PolarHBondContact O-NZ 3.03Å; G60-F72 PolarHBondContact N-O 3.43Å
61D97.2Very high96.2Very high135 Ų13580.2 Ų80.272%0.72243%0.431SS*.PPolyproline II helixtrans-61.2151.6174.8-65.8-39.5000112L63D61-L63 HydrophobicContact CB-CD2 4.34Å; D61-L63 PolarHBondContact O-N 3.47Å
62T97.8Very high96.4Very high49 Ų4982.6 Ų82.630%0.30144%0.437SS..PPolyproline II helixtrans-77.4119.5171.8-56.40000109.1F37 D40 Y69 M70F37-T62 HydrophobicContact CE2-CG2 4.25Å; F37-T62 HydrophobicContact CZ-CG2 3.99Å; D40-T62 HydrophobicContact CB-CG2 3.89Å; T62-Y69 HydrophobicContact CG2-CD1 4.14Å; T62-Y69 HydrophobicContact CG2-CG 4.24Å; T62-M70 CarbonylContact C-O 3.45Å; T62-M70 WeakPolarHBondContact CA-O 3.47Å
63L97.7Very high96.6Very high82 Ų8275.2 Ų75.243%0.42940%0.397SS..EExtended strand (participates in β ladder)trans-105.5136.1-175.9-52176.7000110.9D61 Y69 M70 F72D61-L63 HydrophobicContact CB-CD2 4.34Å; D61-L63 PolarHBondContact O-N 3.47Å; L63-Y69 CarbonylContact O-C 3.46Å; L63-Y69 VanDerWaalsContact O-CA 3.27Å; L63-Y69 WeakPolarHBondContact O-CA 3.36Å; L63-M70 HydrophobicContact CB-CG 3.77Å; L63-M70 HydrophobicContact CB-SD 4.43Å; L63-M70 HydrophobicContact CD1-SD 4.37Å; L63-M70 PolarHBondContact N-O 3.47Å; L63-M70 PolarHBondContact O-N 3.4Å; L63-F72 HydrophobicContact CD1-CE2 4.32Å
64K96.9Very high96.7Very high155 Ų15573.3 Ų73.367%0.67438%0.378SS*.EExtended strand (participates in β ladder)trans-81.1127.6175.7-170.9173.9-176.8173.40111.1T68 Y69K64-T68 CarbonylContact C-O 3.6Å; K64-Y69 HydrophobicContact CB-CD1 4.01Å; K64-Y69 HydrophobicContact CB-CE1 3.89Å; K64-Y69 HydrophobicContact CD-CE1 4.25Å; K64-Y69 HydrophobicContact CG-CD1 4.27Å; K64-Y69 HydrophobicContact CG-CE1 3.9Å
65T92.4Very high96.8Very high45 Ų4568.2 Ų68.228%0.27635%0.352SS..EExtended strand (participates in β ladder)trans-135.8116.9-179.1-61.30000111.7G67 T68 M70T65-G67 PolarHBondContact O-N 3.09Å; T65-G67 VanDerWaalsContact O-N 3.07Å; T65-T68 CarbonylContact C-O 3.58Å; T65-T68 PolarHBondContact N-O 3.35Å; T65-T68 CarbonylContact O-C 3.49Å; T65-T68 WeakPolarHBondContact O-CA 3.34Å; T65-T68 PolarHBondContact O-N 3.02Å; T65-T68 VanDerWaalsContact O-O 3.1Å; T65-T68 PolarHBondContact O-OG1 3.23Å; T65-M70 HydrophobicContact CG2-CE 3.77Å; T65-M70 WeakPolarHBondContact OG1-CE 3.15Å
66K90.1Very high96.8Very high214 Ų21469.3 Ų69.393%0.9336%0.361SS*.THydrogen-bonded Turntrans46.440.6173.3-60.9-177.7179.8178.60114.2
67G90.9Very high96.8Very high54 Ų5462.3 Ų62.356%0.55732%0.323SS*.THydrogen-bonded Turntrans86.8-3.8-179.500000115.7T65T65-G67 PolarHBondContact O-N 3.09Å; T65-G67 VanDerWaalsContact O-N 3.07Å
68T95.7Very high96.7Very high31 Ų3163.8 Ų63.819%0.1933%0.332CS..EExtended strand (participates in β ladder)trans-118.2-171.6172.459.80000109.9K64 T65K64-T68 CarbonylContact C-O 3.6Å; T65-T68 CarbonylContact C-O 3.58Å; T65-T68 PolarHBondContact N-O 3.35Å; T65-T68 CarbonylContact O-C 3.49Å; T65-T68 WeakPolarHBondContact O-CA 3.34Å; T65-T68 PolarHBondContact O-N 3.02Å; T65-T68 VanDerWaalsContact O-O 3.1Å; T65-T68 PolarHBondContact O-OG1 3.23Å
69Y97.5Very high96.4Very high40 Ų4063.5 Ų63.516%0.15733%0.331CS..EExtended strand (participates in β ladder)trans-123.8159.9178.2-58.8-80.1000112K36 F37 F38 D40 T62 L63 K64K36-Y69 PolarHBondContact N-O 2.93Å; F37-Y69 WeakPolarHBondContact CD1-O 3.34Å; F37-Y69 PolarHBondContact N-O 3.47Å; F37-Y69 PolarHBondContact O-N 3.32Å; F38-Y69 HydrophobicContact CD2-CD2 4.1Å; F38-Y69 AromaticContact CD2-CE2 3.56Å; F38-Y69 HydrophobicContact CD2-CE2 3.56Å; F38-Y69 AromaticContact CE2-CE2 3.93Å; F38-Y69 HydrophobicContact CE2-CE2 3.93Å; D40-Y69 HydrophobicContact CB-CD1 3.71Å; D40-Y69 HydrophobicContact CB-CD2 3.67Å; D40-Y69 HydrophobicContact CB-CE1 3.76Å; D40-Y69 HydrophobicContact CB-CE2 3.69Å; D40-Y69 HydrophobicContact CB-CG 3.67Å; T62-Y69 HydrophobicContact CG2-CD1 4.14Å; T62-Y69 HydrophobicContact CG2-CG 4.24Å; L63-Y69 CarbonylContact O-C 3.46Å; L63-Y69 VanDerWaalsContact O-CA 3.27Å; L63-Y69 WeakPolarHBondContact O-CA 3.36Å; K64-Y69 HydrophobicContact CB-CD1 4.01Å; K64-Y69 HydrophobicContact CB-CE1 3.89Å; K64-Y69 HydrophobicContact CD-CE1 4.25Å; K64-Y69 HydrophobicContact CG-CD1 4.27Å; K64-Y69 HydrophobicContact CG-CE1 3.9Å
70M97.6Very high96.3Very high31 Ų3170 Ų7015%0.15335%0.352CS..EExtended strand (participates in β ladder)trans-136.5154.4169.863.9173.353.600110.4L34 E35 T62 L63 T65 F72L34-M70 CarbonylContact O-C 3.55Å; L34-M70 WeakPolarHBondContact O-CA 3.37Å; L34-M70 WeakPolarHBondContact O-CB 3.23Å; E35-M70 HydrophobicContact CG-CB 4.35Å; T62-M70 CarbonylContact C-O 3.45Å; T62-M70 WeakPolarHBondContact CA-O 3.47Å; L63-M70 HydrophobicContact CB-CG 3.77Å; L63-M70 HydrophobicContact CB-SD 4.43Å; L63-M70 HydrophobicContact CD1-SD 4.37Å; L63-M70 PolarHBondContact N-O 3.47Å; L63-M70 PolarHBondContact O-N 3.4Å; T65-M70 HydrophobicContact CG2-CE 3.77Å; T65-M70 WeakPolarHBondContact OG1-CE 3.15Å; M70-F72 HydrophobicContact SD-CE2 4.35Å
71K98.1Very high96.2Very high25 Ų2569.6 Ų69.611%0.10935%0.347CS..EExtended strand (participates in β ladder)trans-150.4146.4177-169.7178.9-179.171.70110L34 F37 I42 E59 G60L34-K71 PolarHBondContact N-O 3.48Å; L34-K71 PolarHBondContact O-N 2.92Å; F37-K71 HydrophobicContact CE1-CB 4.19Å; F37-K71 HydrophobicContact CZ-CB 4Å; I42-K71 HydrophobicContact CG2-CD 3.46Å; I42-K71 VanDerWaalsContact CG2-CD 3.46Å; E59-K71 WeakPolarHBondContact OE2-CE 3.46Å; E59-K71 IonicContact OE2-NZ 3.59Å; G60-K71 PolarHBondContact O-NZ 3.03Å
72F98.1Very high96Very high66 Ų6663.8 Ų63.829%0.28932%0.315SS..EExtended strand (participates in β ladder)trans-108.7141.5174.2-59.4-96000109.5L31 L33 E59 G60 L63 M70 W74L31-F72 HydrophobicContact CD1-CB 4.24Å; L31-F72 HydrophobicContact CD1-CD1 4.29Å; L33-F72 HydrophobicContact CB-CD1 4.02Å; L33-F72 HydrophobicContact CB-CE1 4.04Å; L33-F72 HydrophobicContact CD1-CD1 3.79Å; L33-F72 HydrophobicContact CD1-CD2 4.46Å; L33-F72 HydrophobicContact CD1-CE1 3.42Å; L33-F72 VanDerWaalsContact CD1-CE1 3.42Å; L33-F72 HydrophobicContact CD1-CE2 4.12Å; L33-F72 HydrophobicContact CD1-CG 4.3Å; L33-F72 HydrophobicContact CD1-CZ 3.59Å; L33-F72 HydrophobicContact CD2-CE1 3.9Å; L33-F72 HydrophobicContact CD2-CZ 4.37Å; L33-F72 HydrophobicContact CG-CD1 4.34Å; L33-F72 HydrophobicContact CG-CE1 3.95Å; L33-F72 HydrophobicContact CG-CZ 4.49Å; E59-F72 WeakPolarHBondContact CA-O 3.41Å; G60-F72 PolarHBondContact N-O 3.43Å; L63-F72 HydrophobicContact CD1-CE2 4.32Å; M70-F72 HydrophobicContact SD-CE2 4.35Å; F72-W74 HydrophobicContact CB-CZ3 4.46Å
73S98.6Very high95.8Very high0 Ų062.9 Ų62.90%032%0.316CS..EExtended strand (participates in β ladder)trans-138.2140.4167.41790000109.2C32 W46 Q58C32-S73 PolarHBondContact N-O 2.99Å; C32-S73 PolarHBondContact O-N 3Å; W46-S73 PolarHBondContact NE1-OG 2.84Å; Q58-S73 CarbonylContact O-C 3.48Å; Q58-S73 VanDerWaalsContact O-CA 3.32Å; Q58-S73 WeakPolarHBondContact O-CA 3.38Å; Q58-S73 PolarHBondContact O-OG 3.02Å; Q58-S73 VanDerWaalsContact O-OG 3.11Å
74W98.6Very high95.7Very high69 Ų6963.4 Ų63.426%0.26132%0.315SS..EExtended strand (participates in β ladder)trans-137.7151.1179.162.694.2000112.5T29 Y30 L31 Q58 F72T29-W74 HydrophobicContact CG2-CB 3.97Å; T29-W74 HydrophobicContact CG2-CG 4.29Å; Y30-W74 CarbonylContact O-C 3.59Å; Y30-W74 WeakPolarHBondContact O-CA 3.17Å; Y30-W74 VanDerWaalsContact O-CB 3.24Å; Y30-W74 WeakPolarHBondContact O-CB 3.29Å; L31-W74 HydrophobicContact CB-CB 4.21Å; L31-W74 HydrophobicContact CD1-CB 3.88Å; L31-W74 HydrophobicContact CD1-CE3 4.16Å; Q58-W74 HydrophobicContact CB-CD2 4.01Å; Q58-W74 HydrophobicContact CB-CG 4.39Å; Q58-W74 HydrophobicContact CB-CH2 4.28Å; Q58-W74 HydrophobicContact CB-CZ2 3.52Å; Q58-W74 HydrophobicContact CG-CZ2 4.42Å; Q58-W74 PolarHBondContact N-O 3.42Å; Q58-W74 VanDerWaalsContact NE2-NE1 3.17Å; Q58-W74 PolarHBondContact O-N 2.66Å; F72-W74 HydrophobicContact CB-CZ3 4.46Å
75L98.5Very high95.7Very high4 Ų458.2 Ų58.22%0.02129%0.293CS..EExtended strand (participates in β ladder)trans-125.1114.9179172.472.2000108.1T29 Y30 W46 L55 D56 V77 H86T29-L75 WeakPolarHBondContact CA-O 3.41Å; Y30-L75 HydrophobicContact CD2-CD2 4.41Å; Y30-L75 PolarHBondContact N-O 3.3Å; Y30-L75 PolarHBondContact O-N 2.86Å; W46-L75 HydrophobicContact CB-CB 4.38Å; W46-L75 HydrophobicContact CB-CD1 4.28Å; W46-L75 HydrophobicContact CB-CD2 4.05Å; W46-L75 HydrophobicContact CB-CG 4.45Å; W46-L75 HydrophobicContact CD2-CB 3.61Å; W46-L75 HydrophobicContact CD2-CD2 4.16Å; W46-L75 HydrophobicContact CD2-CG 4.44Å; W46-L75 HydrophobicContact CE3-CB 3.76Å; W46-L75 HydrophobicContact CE3-CD2 3.74Å; W46-L75 HydrophobicContact CE3-CG 4.38Å; W46-L75 HydrophobicContact CG-CB 3.91Å; W46-L75 HydrophobicContact CG-CD2 4.32Å; W46-L75 HydrophobicContact CG-CG 4.49Å; W46-L75 HydrophobicContact CZ2-CB 4.46Å; W46-L75 HydrophobicContact CZ3-CB 4.22Å; W46-L75 HydrophobicContact CZ3-CD2 4.49Å; L55-L75 HydrophobicContact CB-CD1 3.7Å; L55-L75 HydrophobicContact CD1-CD1 4.13Å; L55-L75 HydrophobicContact CD1-CD2 3.64Å; D56-L75 VanDerWaalsContact O-CD1 3.25Å; D56-L75 WeakPolarHBondContact O-CD1 3.41Å; L75-V77 HydrophobicContact CD1-CG1 4.08Å; L75-V77 HydrophobicContact CD2-CG1 3.69Å; L75-V77 HydrophobicContact CG-CG1 3.58Å; L75-H86 HydrophobicContact CD2-CB 4.32Å
76T97.8Very high95.9Very high62 Ų6256.1 Ų56.138%0.3828%0.28SS..EExtended strand (participates in β ladder)trans-98.1122.7173.5-56.80000109.2G28 T29G28-T76 WeakPolarHBondContact O-CA 3.28Å; T29-T76 PolarHBondContact OG1-OG1 3.39Å
77V97.3Very high96.3Very high8 Ų846 Ų465%0.04824%0.236CC..EExtended strand (participates in β ladder)trans-122.1150.7-177.4-48.60000112T27 G28 Y30 L75 A81 M82T27-V77 CarbonylContact C-O 3.55Å; T27-V77 VanDerWaalsContact CA-O 3.28Å; T27-V77 WeakPolarHBondContact CA-O 3.45Å; G28-V77 PolarHBondContact N-O 2.87Å; G28-V77 PolarHBondContact O-N 2.85Å; Y30-V77 HydrophobicContact CD2-CG1 4.45Å; Y30-V77 HydrophobicContact CD2-CG2 4.46Å; Y30-V77 HydrophobicContact CE2-CG1 4.34Å; Y30-V77 HydrophobicContact CE2-CG2 3.74Å; L75-V77 HydrophobicContact CD1-CG1 4.08Å; L75-V77 HydrophobicContact CD2-CG1 3.69Å; L75-V77 HydrophobicContact CG-CG1 3.58Å; V77-A81 HydrophobicContact CB-CB 3.75Å; V77-A81 HydrophobicContact CG2-CB 3.9Å; V77-M82 HydrophobicContact CG2-CG 3.79Å
78P96Very high96.7Very high60 Ų6043.4 Ų43.439%0.3921%0.21SC..EExtended strand (participates in β ladder)trans-72.6163.6173.430.5-36.3000112.1R80 A81 M82P78-R80 VanDerWaalsContact C-N 3.25Å; P78-R80 HydrophobicContact CB-CG 4.36Å; P78-R80 HydrophobicContact CG-CG 3.94Å; P78-R80 PolarHBondContact O-N 3.46Å; P78-R80 VanDerWaalsContact O-N 3.08Å; P78-A81 HydrophobicContact CG-CB 4.28Å; P78-A81 WeakPolarHBondContact O-CA 3.25Å; P78-A81 WeakPolarHBondContact O-CB 3.26Å; P78-A81 PolarHBondContact O-N 3.43Å; P78-M82 PolarHBondContact O-N 2.9Å
79E94.1Very high96.8Very high101 Ų10142.1 Ų42.147%0.47220%0.201SC..Hα-helixtrans-47-42.2-179.4-175.8169.5-149.600114.9K26 A81 M82K26-E79 HydrophobicContact CB-CB 4.37Å; K26-E79 IonicContact NZ-OE1 3.75Å; K26-E79 WeakPolarHBondContact O-CB 3.36Å; K26-E79 PolarHBondContact O-N 3.49Å; E79-A81 PolarHBondContact O-N 2.99Å; E79-M82 VanDerWaalsContact CA-CE 3.45Å; E79-M82 HydrophobicContact CB-CE 3.8Å; E79-M82 HydrophobicContact CG-CE 3.9Å; E79-M82 WeakPolarHBondContact O-CB 3.45Å; E79-M82 PolarHBondContact O-N 2.96Å
80R93.9Very high96.8Very high219 Ų21940.2 Ų40.283%0.82619%0.194SC*.Hα-helixtrans-58.7-33.317765.6-179.3-176.8-175.50.3113.8P78P78-R80 VanDerWaalsContact C-N 3.25Å; P78-R80 HydrophobicContact CB-CG 4.36Å; P78-R80 HydrophobicContact CG-CG 3.94Å; P78-R80 PolarHBondContact O-N 3.46Å; P78-R80 VanDerWaalsContact O-N 3.08Å
81A95Very high96.8Very high12 Ų1242.6 Ų42.610%0.09920%0.203CC..Hα-helixtrans-87.7-23.5-179.100000111.8V77 P78 E79 G83 K84 H86V77-A81 HydrophobicContact CB-CB 3.75Å; V77-A81 HydrophobicContact CG2-CB 3.9Å; P78-A81 HydrophobicContact CG-CB 4.28Å; P78-A81 WeakPolarHBondContact O-CA 3.25Å; P78-A81 WeakPolarHBondContact O-CB 3.26Å; P78-A81 PolarHBondContact O-N 3.43Å; E79-A81 PolarHBondContact O-N 2.99Å; A81-G83 PolarHBondContact O-N 2.79Å; A81-G83 VanDerWaalsContact O-N 3.1Å; A81-K84 VanDerWaalsContact O-CB 3.3Å; A81-K84 WeakPolarHBondContact O-CB 3.31Å; A81-K84 PolarHBondContact O-N 3.49Å; A81-H86 PolarHBondContact O-CE1 3.45Å
82M93.9Very high96.8Very high12 Ų1242 Ų426%0.05920%0.201CC..Hα-helixtrans-59.4-23.6176.1-63.9-161.6-78.900114.2T22 T27 V77 P78 E79 K84 I108T22-M82 HydrophobicContact CG2-CE 4.22Å; T22-M82 HydrophobicContact CG2-SD 3.57Å; T22-M82 VanDerWaalsContact CG2-SD 3.57Å; T27-M82 VanDerWaalsContact C-SD 3.58Å; V77-M82 HydrophobicContact CG2-CG 3.79Å; P78-M82 PolarHBondContact O-N 2.9Å; E79-M82 VanDerWaalsContact CA-CE 3.45Å; E79-M82 HydrophobicContact CB-CE 3.8Å; E79-M82 HydrophobicContact CG-CE 3.9Å; E79-M82 WeakPolarHBondContact O-CB 3.45Å; E79-M82 PolarHBondContact O-N 2.96Å; M82-K84 PolarHBondContact O-N 3.11Å; M82-I108 HydrophobicContact CB-CB 4.33Å; M82-I108 HydrophobicContact CB-CG1 4.13Å; M82-I108 PolarHBondContact O-N 2.92Å; M82-I108 HydrophobicContact SD-CG1 4.37Å
83G92.9Very high96.7Very high30 Ų3045.2 Ų45.231%0.30922%0.217SC..THydrogen-bonded Turntrans-73.5-11.1173.600000114.3A81 S107A81-G83 PolarHBondContact O-N 2.79Å; A81-G83 VanDerWaalsContact O-N 3.1Å; G83-S107 VanDerWaalsContact O-CB 3.25Å; G83-S107 WeakPolarHBondContact O-CB 3.42Å
84K95.2Very high96.5Very high93 Ų9348 Ų4840%0.40423%0.232SC..SBendtrans-96.4160-179.6-55.1-174.7178.2-172.70111.2E48 A81 M82 H86 S107E48-K84 HydrophobicContact CG-CD 4.28Å; E48-K84 WeakPolarHBondContact OE1-CD 3.41Å; E48-K84 WeakPolarHBondContact OE1-CE 3.41Å; E48-K84 IonicContact OE1-NZ 3.59Å; E48-K84 PolarHBondContact OE1-NZ 3.02Å; E48-K84 VanDerWaalsContact OE2-CD 3.26Å; E48-K84 WeakPolarHBondContact OE2-CD 3.35Å; E48-K84 IonicContact OE2-NZ 3.35Å; E48-K84 PolarHBondContact OE2-NZ 2.88Å; A81-K84 VanDerWaalsContact O-CB 3.3Å; A81-K84 WeakPolarHBondContact O-CB 3.31Å; A81-K84 PolarHBondContact O-N 3.49Å; M82-K84 PolarHBondContact O-N 3.11Å; K84-H86 PolarHBondContact O-CE1 2.8Å; K84-H86 PolarHBondContact O-ND1 2.87Å; K84-S107 WeakPolarHBondContact O-CA 3.4Å; K84-S107 WeakPolarHBondContact O-CB 3.43Å
85E97Very high96.4Very high47 Ų4745.1 Ų45.122%0.2222%0.222CC..  trans-91.1140.4172.7-54.9-176.3132.200109.5K49 F104K49-E85 HydrophobicContact CB-CB 3.96Å; K49-E85 HydrophobicContact CD-CB 4.22Å; K49-E85 WeakPolarHBondContact CD-OE2 3.25Å; K49-E85 PolarHBondContact N-O 3.36Å; K49-E85 IonicContact NZ-OE1 3.12Å; K49-E85 IonicContact NZ-OE2 2.82Å; K49-E85 PolarHBondContact NZ-OE2 3.06Å; E85-F104 HydrophobicContact CB-CE2 3.63Å; E85-F104 HydrophobicContact CB-CZ 3.78Å; E85-F104 VanDerWaalsContact CD-CZ 3.4Å; E85-F104 HydrophobicContact CG-CE2 4.17Å; E85-F104 HydrophobicContact CG-CZ 3.85Å; E85-F104 VanDerWaalsContact OE1-CZ 3.3Å; E85-F104 WeakPolarHBondContact OE1-CZ 3.23Å
86H97.9Very high96Very high1 Ų152.6 Ų52.61%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-121.7156.2-176.8-56.780.7000110.4Y30 K47 L75 A81 K84 F105Y30-H86 AromaticContact CE2-CE1 3.75Å; Y30-H86 AromaticContact CE2-ND1 3.61Å; Y30-H86 AromaticContact CZ-ND1 3.67Å; K47-H86 CarbonylContact O-C 3.57Å; K47-H86 WeakPolarHBondContact O-CA 3.36Å; L75-H86 HydrophobicContact CD2-CB 4.32Å; A81-H86 PolarHBondContact O-CE1 3.45Å; K84-H86 PolarHBondContact O-CE1 2.8Å; K84-H86 PolarHBondContact O-ND1 2.87Å; H86-F105 HydrophobicContact CB-CB 4.31Å; H86-F105 PolarHBondContact N-O 3.39Å; H86-F105 WeakPolarHBondContact O-CA 3.35Å; H86-F105 PolarHBondContact O-N 3.18Å
87S98.1Very high95.7Very high1 Ų153.9 Ų53.91%0.00728%0.28CS..EExtended strand (participates in β ladder)trans-128.9130.1175.7-67.60000109.7W46 K47 E102 I103W46-S87 WeakPolarHBondContact CA-O 3.46Å; K47-S87 PolarHBondContact N-O 2.86Å; K47-S87 PolarHBondContact O-N 3.37Å; S87-E102 WeakPolarHBondContact CB-OE1 3.47Å; S87-E102 PolarHBondContact OG-OE1 3.4Å; S87-I103 CarbonylContact C-O 3.6Å; S87-I103 WeakPolarHBondContact CA-O 3.39Å
88C98.4Very high95.4Very high0 Ų056.5 Ų56.50%031%0.308CS..EExtended strand (participates in β ladder)trans-92.5122.4165.3174.30000107.9C32 V44 W46 I103 F105C32-C88 HydrophobicContact CB-CB 4.35Å; V44-C88 WeakPolarHBondContact CG1-SG 3.06Å; W46-C88 HydrophobicContact CD2-CB 3.9Å; W46-C88 HydrophobicContact CE3-CB 3.87Å; W46-C88 HydrophobicContact CH2-CB 3.82Å; W46-C88 HydrophobicContact CZ2-CB 3.8Å; W46-C88 HydrophobicContact CZ3-CB 3.84Å; C88-I103 HydrophobicContact CB-CB 4.19Å; C88-I103 PolarHBondContact N-O 3.34Å; C88-I103 PolarHBondContact O-N 3.36Å; C88-F105 HydrophobicContact CB-CD2 4.38Å; C88-F105 HydrophobicContact CB-CE2 3.75Å
89I98.2Very high95.4Very high4 Ų456.5 Ų56.52%0.02131%0.313CS..EExtended strand (participates in β ladder)trans-105.2126.4-179.8-48.4-57.9000109.1V44 Y45 K47 D100 Q101 E102V44-I89 WeakPolarHBondContact CA-O 3.44Å; Y45-I89 HydrophobicContact CD1-CB 4.13Å; Y45-I89 HydrophobicContact CD1-CG2 4.48Å; Y45-I89 HydrophobicContact CD2-CB 3.95Å; Y45-I89 HydrophobicContact CD2-CG1 4.05Å; Y45-I89 HydrophobicContact CE1-CB 3.73Å; Y45-I89 HydrophobicContact CE1-CG2 3.65Å; Y45-I89 HydrophobicContact CE2-CB 3.55Å; Y45-I89 HydrophobicContact CE2-CG1 3.55Å; Y45-I89 HydrophobicContact CE2-CG2 3.96Å; Y45-I89 HydrophobicContact CG-CB 4.24Å; Y45-I89 VanDerWaalsContact CZ-CB 3.45Å; Y45-I89 PolarHBondContact N-O 2.94Å; Y45-I89 PolarHBondContact O-N 3.43Å; Y45-I89 VanDerWaalsContact OH-CG2 3.29Å; Y45-I89 WeakPolarHBondContact OH-CG2 3.32Å; K47-I89 HydrophobicContact CD-CD1 4.22Å; K47-I89 HydrophobicContact CD-CG1 4.13Å; K47-I89 HydrophobicContact CG-CG1 4.32Å; I89-D100 HydrophobicContact CG2-CB 3.74Å; I89-Q101 WeakPolarHBondContact CA-O 3.16Å; I89-E102 HydrophobicContact CD1-CB 3.73Å; I89-E102 HydrophobicContact CD1-CG 3.52Å
90V98.3Very high95.5Very high0 Ų055.3 Ų55.30%031%0.31CS..EExtended strand (participates in β ladder)trans-118.8116.9-175.4-179.10000109.5P10 L34 I42 V44 N95 Q101 I103P10-V90 HydrophobicContact CB-CG1 4.04Å; P10-V90 HydrophobicContact CG-CG1 3.9Å; L34-V90 HydrophobicContact CD1-CB 4.48Å; L34-V90 HydrophobicContact CD1-CG1 3.89Å; L34-V90 HydrophobicContact CD1-CG2 3.71Å; L34-V90 HydrophobicContact CD2-CG1 4.45Å; L34-V90 HydrophobicContact CD2-CG2 3.75Å; L34-V90 HydrophobicContact CG-CG2 4.38Å; I42-V90 HydrophobicContact CD1-CG1 3.66Å; I42-V90 HydrophobicContact CG1-CG1 3.89Å; V44-V90 HydrophobicContact CG1-CG2 4.38Å; V90-N95 PolarHBondContact O-ND2 2.89Å; V90-Q101 HydrophobicContact CB-CB 4.22Å; V90-Q101 PolarHBondContact N-O 3.35Å; V90-Q101 PolarHBondContact O-N 3.45Å; V90-I103 HydrophobicContact CG2-CD1 3.58Å
91K97.9Very high95.7Very high81 Ų8147.3 Ų47.335%0.35228%0.282SS..EExtended strand (participates in β ladder)trans-100.7118.2174.1-47.1-167.8143.3163.50109.2R43 Y45 D100R43-K91 HydrophobicContact CB-CB 4.18Å; R43-K91 HydrophobicContact CB-CG 4.5Å; R43-K91 PolarHBondContact N-O 2.96Å; R43-K91 PolarHBondContact O-N 2.91Å; Y45-K91 HydrophobicContact CE1-CD 3.93Å; Y45-K91 HydrophobicContact CE1-CG 3.97Å; Y45-K91 WeakPolarHBondContact OH-CE 3.4Å; K91-D100 VanDerWaalsContact CE-OD1 3.26Å; K91-D100 WeakPolarHBondContact CE-OD1 3.47Å; K91-D100 WeakPolarHBondContact CE-OD2 3.36Å; K91-D100 WeakPolarHBondContact CG-OD1 3.48Å; K91-D100 IonicContact NZ-OD2 3.51Å
92H97.8Very high95.8Very high12 Ų1251.4 Ų51.46%0.05630%0.299CS..  trans-148.4143.7177.9-175-95.6000109.6P10 F37 F38 P39 V41 I42 N94 N95P10-H92 HydrophobicContact CG-CB 3.66Å; F37-H92 AromaticContact CD2-NE2 3.78Å; F38-H92 PolarHBondContact O-CE1 2.96Å; P39-H92 PolarHBondContact O-NE2 3.05Å; V41-H92 PolarHBondContact O-CD2 3.06Å; V41-H92 VanDerWaalsContact O-CD2 3.31Å; I42-H92 HydrophobicContact CG1-CB 4.35Å; H92-N94 PolarHBondContact ND1-N 3.44Å; H92-N94 VanDerWaalsContact ND1-N 3.13Å; H92-N94 PolarHBondContact O-N 3.38Å; H92-N95 PolarHBondContact N-ND2 2.96Å; H92-N95 WeakPolarHBondContact O-CB 3.43Å; H92-N95 PolarHBondContact O-N 2.89Å; H92-N95 VanDerWaalsContact O-N 3.16Å
93E95.9Very high95.9Very high133 Ų13351.5 Ų51.562%0.62130%0.3SS*.THydrogen-bonded Turntrans-63.6-28-173.759.8167.7-144.200113.8P39P39-E93 WeakPolarHBondContact CD-OE1 3.48Å; P39-E93 VanDerWaalsContact CG-CD 3.43Å; P39-E93 HydrophobicContact CG-CG 3.93Å; P39-E93 VanDerWaalsContact CG-OE1 3.22Å; P39-E93 WeakPolarHBondContact CG-OE1 3.27Å
94N95Very high96.1Very high58 Ų5853.6 Ų53.631%0.3130%0.3SS..THydrogen-bonded Turntrans-97.311.7-179.1-67.7-44.5000112.8I8 S9 F38 H92I8-N94 HydrophobicContact CD1-CB 4.41Å; I8-N94 WeakPolarHBondContact CD1-ND2 3.44Å; I8-N94 HydrophobicContact CG1-CB 3.96Å; S9-N94 WeakPolarHBondContact CB-O 3.43Å; F38-N94 PolarHBondContact O-ND2 3.18Å; H92-N94 PolarHBondContact ND1-N 3.44Å; H92-N94 VanDerWaalsContact ND1-N 3.13Å; H92-N94 PolarHBondContact O-N 3.38Å
95N95.4Very high96.2Very high10 Ų1049.1 Ų49.15%0.05328%0.281CS..SBendtrans-57.4146.3168.9-76.5-10.3000111.1P10 V90 H92 G97 G98 A99 Q101P10-N95 WeakPolarHBondContact CD-OD1 3.4Å; V90-N95 PolarHBondContact O-ND2 2.89Å; H92-N95 PolarHBondContact N-ND2 2.96Å; H92-N95 WeakPolarHBondContact O-CB 3.43Å; H92-N95 PolarHBondContact O-N 2.89Å; H92-N95 VanDerWaalsContact O-N 3.16Å; N95-G97 PolarHBondContact O-N 3.33Å; N95-G98 PolarHBondContact O-N 2.92Å; N95-A99 WeakPolarHBondContact CB-O 3.42Å; N95-A99 PolarHBondContact ND2-O 3.28Å; N95-Q101 PolarHBondContact ND2-N 3.08Å
96K90.9Very high96.2Very high161 Ų16148.1 Ų48.170%0.728%0.279SS*.G310 helixtrans-58.9123.4-178.4-65.9-177-179178.60110.8D7 G98 A99D7-K96 WeakPolarHBondContact OD2-CE 3.49Å; D7-K96 IonicContact OD2-NZ 3.88Å; K96-G98 PolarHBondContact O-N 2.96Å; K96-A99 PolarHBondContact O-N 3.48Å
97G90.5Very high96Very high89 Ų8948.7 Ų48.792%0.91828%0.282SS*.G310 helixtrans67.512.6-179.300000114.8N95 A99N95-G97 PolarHBondContact O-N 3.33Å; G97-A99 PolarHBondContact O-N 2.83Å
98G91.5Very high95.6Very high63 Ų6350.3 Ų50.365%0.64929%0.291SS*.G310 helixtrans68.910.9-176.100000114.3N95 K96N95-G98 PolarHBondContact O-N 2.92Å; K96-G98 PolarHBondContact O-N 2.96Å
99A95.4Very high95Very high60 Ų6057.7 Ų57.750%0.49632%0.323SS..PPolyproline II helixtrans-85.4153.7178.200000111.5N95 K96 G97 Q101N95-A99 WeakPolarHBondContact CB-O 3.42Å; N95-A99 PolarHBondContact ND2-O 3.28Å; K96-A99 PolarHBondContact O-N 3.48Å; G97-A99 PolarHBondContact O-N 2.83Å; A99-Q101 PolarHBondContact O-N 2.91Å
100D96.8Very high94.4Very high76 Ų7663 Ų6341%0.40635%0.346SS..PPolyproline II helixtrans-65.3135.3172.3-62.6-21000110.1I89 K91I89-D100 HydrophobicContact CG2-CB 3.74Å; K91-D100 VanDerWaalsContact CE-OD1 3.26Å; K91-D100 WeakPolarHBondContact CE-OD1 3.47Å; K91-D100 WeakPolarHBondContact CE-OD2 3.36Å; K91-D100 WeakPolarHBondContact CG-OD1 3.48Å; K91-D100 IonicContact NZ-OD2 3.51Å
101Q96.8Very high93.9Very high50 Ų5064.7 Ų64.723%0.23436%0.356CS..EExtended strand (participates in β ladder)trans-81.7121.6174.4178.9-174.548.100108.7P10 I89 V90 N95 A99 I103P10-Q101 PolarHBondContact O-NE2 2.98Å; P10-Q101 PolarHBondContact O-OE1 3.4Å; I89-Q101 WeakPolarHBondContact CA-O 3.16Å; V90-Q101 HydrophobicContact CB-CB 4.22Å; V90-Q101 PolarHBondContact N-O 3.35Å; V90-Q101 PolarHBondContact O-N 3.45Å; N95-Q101 PolarHBondContact ND2-N 3.08Å; A99-Q101 PolarHBondContact O-N 2.91Å; Q101-I103 HydrophobicContact CG-CG1 4.06Å
102E97.2Very high93.2Very high99 Ų9962.5 Ų62.546%0.46335%0.353SS..EExtended strand (participates in β ladder)trans-102.5113.9175.8178.2152.5-168.100110.2K47 S87 I89K47-E102 WeakPolarHBondContact CE-OE1 3.28Å; K47-E102 IonicContact NZ-OE1 3.05Å; K47-E102 PolarHBondContact NZ-OE1 3.37Å; K47-E102 VanDerWaalsContact NZ-OE1 3.12Å; K47-E102 IonicContact NZ-OE2 3.4Å; K47-E102 PolarHBondContact NZ-OE2 3.18Å; K47-E102 VanDerWaalsContact NZ-OE2 3.1Å; S87-E102 WeakPolarHBondContact CB-OE1 3.47Å; S87-E102 PolarHBondContact OG-OE1 3.4Å; I89-E102 HydrophobicContact CD1-CB 3.73Å; I89-E102 HydrophobicContact CD1-CG 3.52Å
103I97.6Very high92.6Very high13 Ų1366.5 Ų66.57%0.06738%0.378CS..EExtended strand (participates in β ladder)trans-104.2117.3-177.7-55.6158.3000108.3P12 I14 C32 L34 S87 C88 V90 Q101 F105P12-I103 HydrophobicContact CB-CD1 3.42Å; P12-I103 VanDerWaalsContact CB-CD1 3.42Å; P12-I103 HydrophobicContact CB-CG1 3.93Å; P12-I103 HydrophobicContact CB-CG2 4.25Å; P12-I103 HydrophobicContact CG-CD1 4Å; P12-I103 HydrophobicContact CG-CG1 4.03Å; I14-I103 HydrophobicContact CG2-CG2 3.52Å; C32-I103 VanDerWaalsContact SG-CD1 3.55Å; L34-I103 HydrophobicContact CD2-CD1 3.84Å; S87-I103 CarbonylContact C-O 3.6Å; S87-I103 WeakPolarHBondContact CA-O 3.39Å; C88-I103 HydrophobicContact CB-CB 4.19Å; C88-I103 PolarHBondContact N-O 3.34Å; C88-I103 PolarHBondContact O-N 3.36Å; V90-I103 HydrophobicContact CG2-CD1 3.58Å; Q101-I103 HydrophobicContact CG-CG1 4.06Å; I103-F105 HydrophobicContact CB-CE2 4.35Å; I103-F105 HydrophobicContact CG2-CD2 4.44Å; I103-F105 HydrophobicContact CG2-CE2 3.75Å; I103-F105 HydrophobicContact CG2-CZ 4.38Å; I103-F105 WeakPolarHBondContact O-CD2 3.34Å
104F96.8Very high92Very high74 Ų7464 Ų6433%0.32537%0.372SS..EExtended strand (participates in β ladder)trans-88.6132.3-172178.6-100000112.8K49 E85 P106K49-F104 HydrophobicContact CB-CE2 4.32Å; K49-F104 HydrophobicContact CD-CD2 4.2Å; K49-F104 HydrophobicContact CD-CE2 3.6Å; K49-F104 HydrophobicContact CG-CD2 4.17Å; K49-F104 HydrophobicContact CG-CE2 3.95Å; E85-F104 HydrophobicContact CB-CE2 3.63Å; E85-F104 HydrophobicContact CB-CZ 3.78Å; E85-F104 VanDerWaalsContact CD-CZ 3.4Å; E85-F104 HydrophobicContact CG-CE2 4.17Å; E85-F104 HydrophobicContact CG-CZ 3.85Å; E85-F104 VanDerWaalsContact OE1-CZ 3.3Å; E85-F104 WeakPolarHBondContact OE1-CZ 3.23Å; F104-P106 HydrophobicContact CE1-CB 4.14Å
105F97.6Very high91.4Very high0 Ų064.2 Ų64.20%038%0.378CS..EExtended strand (participates in β ladder)trans-115.9119.5174.4-71.7-101.2000110.3I14 L16 Y30 C32 W46 H86 C88 I103I14-F105 HydrophobicContact CB-CD1 4.41Å; I14-F105 HydrophobicContact CB-CE1 3.67Å; I14-F105 HydrophobicContact CB-CZ 3.81Å; I14-F105 HydrophobicContact CG2-CE1 3.96Å; I14-F105 HydrophobicContact CG2-CE2 4.06Å; I14-F105 HydrophobicContact CG2-CZ 3.58Å; L16-F105 HydrophobicContact CD2-CD1 4Å; Y30-F105 HydrophobicContact CD1-CB 3.98Å; Y30-F105 AromaticContact CD1-CD1 3.72Å; Y30-F105 HydrophobicContact CD1-CD1 3.72Å; Y30-F105 HydrophobicContact CD1-CG 4.18Å; Y30-F105 HydrophobicContact CE1-CB 4.31Å; Y30-F105 HydrophobicContact CG-CD1 4.27Å; C32-F105 HydrophobicContact CB-CE2 4.42Å; C32-F105 HydrophobicContact CB-CZ 3.94Å; W46-F105 HydrophobicContact CH2-CD1 4.47Å; W46-F105 AromaticContact CH2-CD2 3.99Å; W46-F105 HydrophobicContact CH2-CD2 3.99Å; W46-F105 AromaticContact CH2-CE1 3.98Å; W46-F105 HydrophobicContact CH2-CE1 3.98Å; W46-F105 AromaticContact CH2-CE2 3.48Å; W46-F105 HydrophobicContact CH2-CE2 3.48Å; W46-F105 VanDerWaalsContact CH2-CE2 3.48Å; W46-F105 HydrophobicContact CH2-CG 4.46Å; W46-F105 AromaticContact CH2-CZ 3.47Å; W46-F105 HydrophobicContact CH2-CZ 3.47Å; W46-F105 VanDerWaalsContact CH2-CZ 3.47Å; W46-F105 HydrophobicContact CZ3-CD1 4.37Å; W46-F105 AromaticContact CZ3-CD2 3.57Å; W46-F105 HydrophobicContact CZ3-CD2 3.57Å; W46-F105 HydrophobicContact CZ3-CE1 4.33Å; W46-F105 AromaticContact CZ3-CE2 3.55Å; W46-F105 HydrophobicContact CZ3-CE2 3.55Å; W46-F105 HydrophobicContact CZ3-CG 4.01Å; W46-F105 AromaticContact CZ3-CZ 3.95Å; W46-F105 HydrophobicContact CZ3-CZ 3.95Å; H86-F105 HydrophobicContact CB-CB 4.31Å; H86-F105 PolarHBondContact N-O 3.39Å; H86-F105 WeakPolarHBondContact O-CA 3.35Å; H86-F105 PolarHBondContact O-N 3.18Å; C88-F105 HydrophobicContact CB-CD2 4.38Å; C88-F105 HydrophobicContact CB-CE2 3.75Å; I103-F105 HydrophobicContact CB-CE2 4.35Å; I103-F105 HydrophobicContact CG2-CD2 4.44Å; I103-F105 HydrophobicContact CG2-CE2 3.75Å; I103-F105 HydrophobicContact CG2-CZ 4.38Å; I103-F105 WeakPolarHBondContact O-CD2 3.34Å
106P95.4Very high90.5Very high26 Ų2671.2 Ų71.217%0.16940%0.404CS..  trans-68.8158.4179.230.8-37000111.9L16 F104 V111L16-P106 HydrophobicContact CD1-CG 4.23Å; L16-P106 HydrophobicContact CD2-CG 4.14Å; F104-P106 HydrophobicContact CE1-CB 4.14Å; P106-V111 HydrophobicContact CB-CG2 3.87Å; P106-V111 HydrophobicContact CG-CG2 3.57Å
107S93.9Very high90.1Very high12 Ų1268.5 Ų68.58%0.08439%0.393CS..  trans-69.9146.2170.9680000111.7G83 K84 K109 K110 V111G83-S107 VanDerWaalsContact O-CB 3.25Å; G83-S107 WeakPolarHBondContact O-CB 3.42Å; K84-S107 WeakPolarHBondContact O-CA 3.4Å; K84-S107 WeakPolarHBondContact O-CB 3.43Å; S107-K109 PolarHBondContact O-N 3.15Å; S107-K110 PolarHBondContact O-N 2.9Å; S107-K110 VanDerWaalsContact O-N 3.12Å; S107-K110 WeakPolarHBondContact OG-CB 3.27Å; S107-K110 PolarHBondContact OG-N 3.22Å; S107-V111 WeakPolarHBondContact O-CG2 3.09Å; S107-V111 PolarHBondContact O-N 3.03Å; S107-V111 VanDerWaalsContact O-N 3.14Å
108I90.4Very high89.8Confident35 Ų3569.2 Ų69.218%0.17938%0.376CS..Hα-helixtrans-61.6-35179-64.4-52.6000111.7P17 Y30 M82 K110 V111 A112P17-I108 HydrophobicContact CB-CD1 4.05Å; P17-I108 HydrophobicContact CG-CD1 3.8Å; P17-I108 HydrophobicContact CG-CG1 4.26Å; Y30-I108 HydrophobicContact CE1-CD1 4.44Å; M82-I108 HydrophobicContact CB-CB 4.33Å; M82-I108 HydrophobicContact CB-CG1 4.13Å; M82-I108 PolarHBondContact O-N 2.92Å; M82-I108 HydrophobicContact SD-CG1 4.37Å; I108-K110 VanDerWaalsContact C-N 3.34Å; I108-K110 PolarHBondContact O-N 2.95Å; I108-V111 PolarHBondContact O-N 3.06Å; I108-A112 WeakPolarHBondContact O-CB 3.34Å; I108-A112 PolarHBondContact O-N 3.43Å
109K85.1Confident89.5Confident155 Ų15571.9 Ų71.967%0.67437%0.37SS*.Hα-helixtrans-59.5-44.3175.6-70.8-172.4177.6-175.50111.9S107 T113S107-K109 PolarHBondContact O-N 3.15Å; K109-T113 PolarHBondContact O-N 3.48Å; K109-T113 VanDerWaalsContact O-N 3.11Å; K109-T113 PolarHBondContact O-OG1 3.35Å
110K86.1Confident89.2Confident115 Ų11573 Ų7350%0.537%0.368SS..Hα-helixtrans-65-45.7179.1-174.7177.7-179.4178.80111.1S107 I108 T113 T114S107-K110 PolarHBondContact O-N 2.9Å; S107-K110 VanDerWaalsContact O-N 3.12Å; S107-K110 WeakPolarHBondContact OG-CB 3.27Å; S107-K110 PolarHBondContact OG-N 3.22Å; I108-K110 VanDerWaalsContact C-N 3.34Å; I108-K110 PolarHBondContact O-N 2.95Å; K110-T113 PolarHBondContact O-N 3.11Å; K110-T114 WeakPolarHBondContact O-CG2 3.44Å; K110-T114 PolarHBondContact O-N 2.87Å; K110-T114 PolarHBondContact O-OG1 3.29Å
111V87Confident88.8Confident36 Ų3673.5 Ų73.522%0.21837%0.37CS..Hα-helixtrans-63.2-44.8179.7178.20000111.4L16 P106 S107 I108 T113 T114 C115L16-V111 HydrophobicContact CD1-CG1 4.14Å; L16-V111 HydrophobicContact CD1-CG2 3.91Å; P106-V111 HydrophobicContact CB-CG2 3.87Å; P106-V111 HydrophobicContact CG-CG2 3.57Å; S107-V111 WeakPolarHBondContact O-CG2 3.09Å; S107-V111 PolarHBondContact O-N 3.03Å; S107-V111 VanDerWaalsContact O-N 3.14Å; I108-V111 PolarHBondContact O-N 3.06Å; V111-T113 PolarHBondContact O-N 3.37Å; V111-T114 WeakPolarHBondContact CA-OG1 3.48Å; V111-T114 PolarHBondContact O-N 3.44Å; V111-T114 PolarHBondContact O-OG1 2.91Å; V111-C115 PolarHBondContact O-N 3.28Å; V111-C115 PolarHBondContact O-SG 2.94Å
112A84.7Confident88.4Confident36 Ų3675 Ų7530%0.29838%0.383SS..Hα-helixtrans-58-51176.400000110.8I108 T114 C115 W116I108-A112 WeakPolarHBondContact O-CB 3.34Å; I108-A112 PolarHBondContact O-N 3.43Å; A112-T114 VanDerWaalsContact C-N 3.33Å; A112-T114 PolarHBondContact O-N 3.45Å; A112-C115 PolarHBondContact O-N 2.84Å; A112-W116 VanDerWaalsContact C-CD1 3.49Å; A112-W116 PolarHBondContact O-N 3.01Å
113T84.3Confident88.1Confident95 Ų9575.1 Ų75.158%0.58339%0.386SS*.Hα-helixtrans-57.4-44.1178.1-57.30000112.1K109 K110 V111 W116 Q117K109-T113 PolarHBondContact O-N 3.48Å; K109-T113 VanDerWaalsContact O-N 3.11Å; K109-T113 PolarHBondContact O-OG1 3.35Å; K110-T113 PolarHBondContact O-N 3.11Å; V111-T113 PolarHBondContact O-N 3.37Å; T113-W116 PolarHBondContact O-N 3.07Å; T113-Q117 WeakPolarHBondContact O-CB 3.3Å; T113-Q117 PolarHBondContact O-N 2.75Å
114T83.1Confident87.9Confident80 Ų8080.4 Ų80.449%0.49141%0.41SS..Hα-helixtrans-64.7-39.9177.849.70000112.6K110 V111 A112 Q117 D118K110-T114 WeakPolarHBondContact O-CG2 3.44Å; K110-T114 PolarHBondContact O-N 2.87Å; K110-T114 PolarHBondContact O-OG1 3.29Å; V111-T114 WeakPolarHBondContact CA-OG1 3.48Å; V111-T114 PolarHBondContact O-N 3.44Å; V111-T114 PolarHBondContact O-OG1 2.91Å; A112-T114 VanDerWaalsContact C-N 3.33Å; A112-T114 PolarHBondContact O-N 3.45Å; T114-Q117 PolarHBondContact O-N 2.78Å; T114-D118 WeakPolarHBondContact O-CB 3.47Å; T114-D118 PolarHBondContact O-N 2.85Å
115C82.3Confident87.7Confident63 Ų6384 Ų8443%0.42643%0.426SS..Hα-helixtrans-69.1-34.3177.1-67.50000112.5V111 A112 K119V111-C115 PolarHBondContact O-N 3.28Å; V111-C115 PolarHBondContact O-SG 2.94Å; A112-C115 PolarHBondContact O-N 2.84Å; C115-K119 WeakPolarHBondContact O-CB 3.5Å; C115-K119 VanDerWaalsContact O-CG 3.31Å; C115-K119 WeakPolarHBondContact O-CG 3.36Å; C115-K119 PolarHBondContact O-N 3.46Å
116W77.6Confident87.4Confident158 Ų15889.6 Ų89.660%0.59845%0.452SS*.Hα-helixtrans-69.6-40.2173.9-70.4119.7000111.7A112 T113 K119 N120A112-W116 VanDerWaalsContact C-CD1 3.49Å; A112-W116 PolarHBondContact O-N 3.01Å; T113-W116 PolarHBondContact O-N 3.07Å; W116-K119 HydrophobicContact CE3-CD 4.35Å; W116-K119 PolarHBondContact O-N 2.93Å; W116-N120 WeakPolarHBondContact O-CB 3.25Å; W116-N120 PolarHBondContact O-N 3.19Å
117Q81.9Confident87.3Confident103 Ų10395 Ų9548%0.48147%0.474SS..Hα-helixtrans-63.5-48175.8-171.761.230.900111T113 T114 K119 N120 D121T113-Q117 WeakPolarHBondContact O-CB 3.3Å; T113-Q117 PolarHBondContact O-N 2.75Å; T114-Q117 PolarHBondContact O-N 2.78Å; Q117-K119 VanDerWaalsContact C-N 3.33Å; Q117-K119 PolarHBondContact O-N 2.94Å; Q117-N120 PolarHBondContact O-N 3.01Å; Q117-N120 VanDerWaalsContact O-N 3.08Å; Q117-D121 PolarHBondContact NE2-OD1 3.23Å; Q117-D121 VanDerWaalsContact O-CG 3.22Å; Q117-D121 PolarHBondContact O-N 2.94Å
118D83.7Confident87.2Confident105 Ų10598.3 Ų98.356%0.56149%0.493SS*.Hα-helixtrans-58.2-44.1177-172.654.7000111.7T114 N120 D121 V122T114-D118 WeakPolarHBondContact O-CB 3.47Å; T114-D118 PolarHBondContact O-N 2.85Å; D118-N120 PolarHBondContact O-N 3.14Å; D118-D121 PolarHBondContact O-N 2.86Å; D118-V122 VanDerWaalsContact O-CG2 3.28Å; D118-V122 WeakPolarHBondContact O-CG2 3.24Å; D118-V122 PolarHBondContact O-N 2.91Å
119K86.3Confident87.4Confident118 Ų11899.2 Ų99.251%0.51350%0.503SS..Hα-helixtrans-61.1-44.4172.8-78.1177.6-178.2178.30112.6C115 W116 Q117 D121 V122 L123C115-K119 WeakPolarHBondContact O-CB 3.5Å; C115-K119 VanDerWaalsContact O-CG 3.31Å; C115-K119 WeakPolarHBondContact O-CG 3.36Å; C115-K119 PolarHBondContact O-N 3.46Å; W116-K119 HydrophobicContact CE3-CD 4.35Å; W116-K119 PolarHBondContact O-N 2.93Å; Q117-K119 VanDerWaalsContact C-N 3.33Å; Q117-K119 PolarHBondContact O-N 2.94Å; K119-D121 VanDerWaalsContact C-N 3.33Å; K119-V122 PolarHBondContact O-N 2.79Å; K119-L123 VanDerWaalsContact O-CB 3.29Å; K119-L123 WeakPolarHBondContact O-CB 3.25Å; K119-L123 WeakPolarHBondContact O-CG 3.47Å; K119-L123 PolarHBondContact O-N 2.88Å
120N88.3Confident87.8Confident85 Ų8594.4 Ų94.446%0.45549%0.486SS..Hα-helixtrans-64.6-39.1178.7-79.4-8000111.6W116 Q117 D118 L123 Q124W116-N120 WeakPolarHBondContact O-CB 3.25Å; W116-N120 PolarHBondContact O-N 3.19Å; Q117-N120 PolarHBondContact O-N 3.01Å; Q117-N120 VanDerWaalsContact O-N 3.08Å; D118-N120 PolarHBondContact O-N 3.14Å; N120-L123 PolarHBondContact O-N 3.13Å; N120-Q124 VanDerWaalsContact O-CB 3.26Å; N120-Q124 WeakPolarHBondContact O-CB 3.43Å; N120-Q124 VanDerWaalsContact O-CG 3.25Å; N120-Q124 WeakPolarHBondContact O-CG 3.41Å; N120-Q124 PolarHBondContact O-N 3.35Å
121D88.3Confident88.2Confident85 Ų8591 Ų9146%0.45548%0.477SS..Hα-helixtrans-66.5-43.2178-66.7-17.7000110.8Q117 D118 K119 Q124 F125Q117-D121 PolarHBondContact NE2-OD1 3.23Å; Q117-D121 VanDerWaalsContact O-CG 3.22Å; Q117-D121 PolarHBondContact O-N 2.94Å; D118-D121 PolarHBondContact O-N 2.86Å; K119-D121 VanDerWaalsContact C-N 3.33Å; D121-Q124 PolarHBondContact O-N 2.9Å; D121-F125 WeakPolarHBondContact O-CB 3.4Å; D121-F125 PolarHBondContact O-N 3.45Å
122V89.7Confident88.6Confident83 Ų8391.9 Ų91.950%0.50349%0.488SS..Hα-helixtrans-64.2-43.7173.8174.20000111.5D118 K119 F125 Q126D118-V122 VanDerWaalsContact O-CG2 3.28Å; D118-V122 WeakPolarHBondContact O-CG2 3.24Å; D118-V122 PolarHBondContact O-N 2.91Å; K119-V122 PolarHBondContact O-N 2.79Å; V122-F125 PolarHBondContact O-N 2.88Å; V122-Q126 WeakPolarHBondContact O-CB 3.3Å; V122-Q126 PolarHBondContact O-N 2.74Å
123L90.7Very high89.1Confident100 Ų10096.5 Ų96.552%0.52450%0.499SS..Hα-helixtrans-65.4-40.7177.7-74.5172.9000112K119 N120 Q126 F127K119-L123 VanDerWaalsContact O-CB 3.29Å; K119-L123 WeakPolarHBondContact O-CB 3.25Å; K119-L123 WeakPolarHBondContact O-CG 3.47Å; K119-L123 PolarHBondContact O-N 2.88Å; N120-L123 PolarHBondContact O-N 3.13Å; L123-Q126 PolarHBondContact O-N 3.05Å; L123-F127 WeakPolarHBondContact O-CB 3.22Å; L123-F127 PolarHBondContact O-N 2.65Å
124Q91.8Very high89.6Confident124 Ų12498.6 Ų98.658%0.57950%0.497SS*.Hα-helixtrans-59.7-49.3172.8-83.2-74.3-27.600110.4N120 D121 Q126 F127 T128N120-Q124 VanDerWaalsContact O-CB 3.26Å; N120-Q124 WeakPolarHBondContact O-CB 3.43Å; N120-Q124 VanDerWaalsContact O-CG 3.25Å; N120-Q124 WeakPolarHBondContact O-CG 3.41Å; N120-Q124 PolarHBondContact O-N 3.35Å; D121-Q124 PolarHBondContact O-N 2.9Å; Q124-Q126 VanDerWaalsContact C-N 3.3Å; Q124-Q126 PolarHBondContact O-N 2.9Å; Q124-F127 PolarHBondContact O-N 3.27Å; Q124-F127 VanDerWaalsContact O-N 3.11Å; Q124-T128 PolarHBondContact O-N 3.02Å; Q124-T128 PolarHBondContact O-OG1 2.82Å; Q124-T128 VanDerWaalsContact O-OG1 3.06Å
125F92.4Very high90.3Very high149 Ų14998.6 Ų98.665%0.65450%0.497SS*.Hα-helixtrans-58.9-42.4177.5-176.5-99.9000112.3D121 V122 S129D121-F125 WeakPolarHBondContact O-CB 3.4Å; D121-F125 PolarHBondContact O-N 3.45Å; V122-F125 PolarHBondContact O-N 2.88Å; F125-S129 WeakPolarHBondContact O-CB 3.35Å; F125-S129 PolarHBondContact O-N 2.81Å; F125-S129 PolarHBondContact O-OG 3.45Å
126Q92.7Very high91Very high118 Ų118102.3 Ų102.355%0.55150%0.503SS*.Hα-helixtrans-63.4-43.1175.4-171.1-178.5-55.500111.3V122 L123 Q124 S129 T130V122-Q126 WeakPolarHBondContact O-CB 3.3Å; V122-Q126 PolarHBondContact O-N 2.74Å; L123-Q126 PolarHBondContact O-N 3.05Å; Q124-Q126 VanDerWaalsContact C-N 3.3Å; Q124-Q126 PolarHBondContact O-N 2.9Å; Q126-S129 PolarHBondContact O-N 2.96Å; Q126-T130 WeakPolarHBondContact O-CB 3.29Å; Q126-T130 PolarHBondContact O-N 2.84Å; Q126-T130 PolarHBondContact O-OG1 2.99Å
127F93.7Very high91.9Very high141 Ų14198.1 Ų98.162%0.61849%0.492SS*.Hα-helixtrans-64.2-45.3178.2-178-96.6000112L123 Q124 S129 T130 S131L123-F127 WeakPolarHBondContact O-CB 3.22Å; L123-F127 PolarHBondContact O-N 2.65Å; Q124-F127 PolarHBondContact O-N 3.27Å; Q124-F127 VanDerWaalsContact O-N 3.11Å; F127-S129 PolarHBondContact O-N 3.03Å; F127-T130 PolarHBondContact O-N 2.95Å; F127-S131 WeakPolarHBondContact O-CB 3.28Å; F127-S131 PolarHBondContact O-N 3.02Å; F127-S131 PolarHBondContact O-OG 3.49Å
128T92Very high92.6Very high80 Ų8098.8 Ų98.849%0.49150%0.498SS..Hα-helixtrans-60.5-45.8175.4-53.70000111.2Q124 S131 A132Q124-T128 PolarHBondContact O-N 3.02Å; Q124-T128 PolarHBondContact O-OG1 2.82Å; Q124-T128 VanDerWaalsContact O-OG1 3.06Å; T128-S131 WeakPolarHBondContact CA-OG 3.4Å; T128-S131 PolarHBondContact O-OG 3.28Å; T128-A132 VanDerWaalsContact O-CB 3.23Å; T128-A132 WeakPolarHBondContact O-CB 3.43Å; T128-A132 PolarHBondContact O-N 3.43Å
129S93Very high93.2Very high55 Ų5599.2 Ų99.239%0.38550%0.5SS..Hα-helixtrans-66.2-41.4179.7-58.80000112F125 Q126 F127 A132 Y133F125-S129 WeakPolarHBondContact O-CB 3.35Å; F125-S129 PolarHBondContact O-N 2.81Å; F125-S129 PolarHBondContact O-OG 3.45Å; Q126-S129 PolarHBondContact O-N 2.96Å; F127-S129 PolarHBondContact O-N 3.03Å; S129-A132 PolarHBondContact O-N 3.35Å; S129-Y133 WeakPolarHBondContact O-CB 3.48Å; S129-Y133 PolarHBondContact O-N 3.27Å
130T93.5Very high93.7Very high54 Ų5497.3 Ų97.333%0.33150%0.495SS..Hα-helixtrans-66-45.8179-60.70000111.2Q126 F127 Y133 Y134Q126-T130 WeakPolarHBondContact O-CB 3.29Å; Q126-T130 PolarHBondContact O-N 2.84Å; Q126-T130 PolarHBondContact O-OG1 2.99Å; F127-T130 PolarHBondContact O-N 2.95Å; T130-Y133 WeakPolarHBondContact O-CB 3.48Å; T130-Y133 PolarHBondContact O-N 2.78Å; T130-Y134 HydrophobicContact CG2-CD2 3.74Å; T130-Y134 HydrophobicContact CG2-CE2 3.32Å; T130-Y134 WeakPolarHBondContact O-CD2 2.89Å; T130-Y134 PolarHBondContact O-N 2.8Å
131S94.5Very high94.1Very high44 Ų4498.3 Ų98.331%0.30850%0.499SS..Hα-helixtrans-66.9-38.2176.556.50000112.4F127 T128 Y133 Y134 T135F127-S131 WeakPolarHBondContact O-CB 3.28Å; F127-S131 PolarHBondContact O-N 3.02Å; F127-S131 PolarHBondContact O-OG 3.49Å; T128-S131 WeakPolarHBondContact CA-OG 3.4Å; T128-S131 PolarHBondContact O-OG 3.28Å; S131-Y133 VanDerWaalsContact C-N 3.34Å; S131-Y133 PolarHBondContact O-N 3.02Å; S131-Y134 PolarHBondContact O-N 3.12Å; S131-T135 WeakPolarHBondContact O-CG2 3.1Å; S131-T135 PolarHBondContact O-N 3.24Å; S131-T135 PolarHBondContact O-OG1 3.26Å
132A95.1Very high94.5Very high53 Ų5399.7 Ų99.744%0.43850%0.501SS..Hα-helixtrans-60.7-42.4171.800000111.8T128 S129 T135 Y136T128-A132 VanDerWaalsContact O-CB 3.23Å; T128-A132 WeakPolarHBondContact O-CB 3.43Å; T128-A132 PolarHBondContact O-N 3.43Å; S129-A132 PolarHBondContact O-N 3.35Å; A132-T135 WeakPolarHBondContact CA-OG1 3.24Å; A132-T135 PolarHBondContact O-N 3.27Å; A132-T135 PolarHBondContact O-OG1 2.8Å; A132-Y136 WeakPolarHBondContact O-CB 3.32Å; A132-Y136 PolarHBondContact O-N 2.89Å
133Y95.9Very high94.8Very high134 Ų13498.6 Ų98.653%0.52550%0.498SS..Hα-helixtrans-60.9-47.2174.9173.6-103000112.5S129 T130 S131 Y136 L137S129-Y133 WeakPolarHBondContact O-CB 3.48Å; S129-Y133 PolarHBondContact O-N 3.27Å; T130-Y133 WeakPolarHBondContact O-CB 3.48Å; T130-Y133 PolarHBondContact O-N 2.78Å; S131-Y133 VanDerWaalsContact C-N 3.34Å; S131-Y133 PolarHBondContact O-N 3.02Å; Y133-Y136 PolarHBondContact O-N 3.05Å; Y133-L137 HydrophobicContact CD1-CD1 4.08Å; Y133-L137 HydrophobicContact CE1-CD1 3.41Å; Y133-L137 VanDerWaalsContact CE1-CD1 3.41Å; Y133-L137 HydrophobicContact CE1-CG 4.2Å; Y133-L137 HydrophobicContact CE2-CD1 4.28Å; Y133-L137 HydrophobicContact CE2-CD2 4.47Å; Y133-L137 HydrophobicContact CE2-CG 4.3Å; Y133-L137 PolarHBondContact O-N 3.32Å
134Y95.9Very high95.1Very high138 Ų13898.3 Ų98.354%0.54150%0.5SS..Hα-helixtrans-66.4-39.4178.6-73.4-61000113.2T130 S131 Y136 L137 L138T130-Y134 HydrophobicContact CG2-CD2 3.74Å; T130-Y134 HydrophobicContact CG2-CE2 3.32Å; T130-Y134 WeakPolarHBondContact O-CD2 2.89Å; T130-Y134 PolarHBondContact O-N 2.8Å; S131-Y134 PolarHBondContact O-N 3.12Å; Y134-Y136 VanDerWaalsContact C-N 3.32Å; Y134-Y136 PolarHBondContact O-N 3.41Å; Y134-L137 HydrophobicContact CD1-CD1 4.48Å; Y134-L137 PolarHBondContact O-N 2.75Å; Y134-L138 WeakPolarHBondContact O-CG 3.37Å; Y134-L138 PolarHBondContact O-N 2.59Å
135T96.3Very high95.4Very high80 Ų8096.7 Ų96.749%0.49149%0.494SS..Hα-helixtrans-63-40.1175.451.10000111.3S131 A132 L138 L139S131-T135 WeakPolarHBondContact O-CG2 3.1Å; S131-T135 PolarHBondContact O-N 3.24Å; S131-T135 PolarHBondContact O-OG1 3.26Å; A132-T135 WeakPolarHBondContact CA-OG1 3.24Å; A132-T135 PolarHBondContact O-N 3.27Å; A132-T135 PolarHBondContact O-OG1 2.8Å; T135-L138 PolarHBondContact O-N 3.16Å; T135-L139 VanDerWaalsContact O-CG 3.3Å; T135-L139 WeakPolarHBondContact O-CG 3.34Å; T135-L139 PolarHBondContact O-N 2.83Å; T135-L139 VanDerWaalsContact O-N 3.09Å
136Y96.7Very high95.6Very high142 Ų14296 Ų9656%0.55749%0.488SS*.Hα-helixtrans-61.7-46.6173.9-177.5-105000112.7A132 Y133 Y134 L138 L139 L140A132-Y136 WeakPolarHBondContact O-CB 3.32Å; A132-Y136 PolarHBondContact O-N 2.89Å; Y133-Y136 PolarHBondContact O-N 3.05Å; Y134-Y136 VanDerWaalsContact C-N 3.32Å; Y134-Y136 PolarHBondContact O-N 3.41Å; Y136-L138 PolarHBondContact O-N 2.96Å; Y136-L139 PolarHBondContact O-N 2.89Å; Y136-L140 HydrophobicContact CD1-CD1 3.82Å; Y136-L140 HydrophobicContact CD1-CG 4.31Å; Y136-L140 HydrophobicContact CE1-CD1 3.25Å; Y136-L140 HydrophobicContact CE1-CG 3.93Å; Y136-L140 HydrophobicContact CE2-CD2 4.48Å; Y136-L140 HydrophobicContact CE2-CG 4.37Å; Y136-L140 PolarHBondContact O-N 2.89Å
137L96.7Very high95.7Very high69 Ų6995.5 Ų95.536%0.36149%0.489SS..Hα-helixtrans-59.7-43176.7-73.5-177.6000112.7Y133 Y134 L139 L140 L141Y133-L137 HydrophobicContact CD1-CD1 4.08Å; Y133-L137 HydrophobicContact CE1-CD1 3.41Å; Y133-L137 VanDerWaalsContact CE1-CD1 3.41Å; Y133-L137 HydrophobicContact CE1-CG 4.2Å; Y133-L137 HydrophobicContact CE2-CD1 4.28Å; Y133-L137 HydrophobicContact CE2-CD2 4.47Å; Y133-L137 HydrophobicContact CE2-CG 4.3Å; Y133-L137 PolarHBondContact O-N 3.32Å; Y134-L137 HydrophobicContact CD1-CD1 4.48Å; Y134-L137 PolarHBondContact O-N 2.75Å; L137-L139 VanDerWaalsContact C-N 3.33Å; L137-L139 PolarHBondContact O-N 3.14Å; L137-L140 PolarHBondContact O-N 3.11Å; L137-L141 WeakPolarHBondContact O-CB 3.44Å; L137-L141 PolarHBondContact O-N 3.24Å
138L96.8Very high95.8Very high118 Ų11891.3 Ų91.362%0.61848%0.48SS*.Hα-helixtrans-63.6-38.7177.8-71.5173.1000112Y134 T135 Y136 K142Y134-L138 WeakPolarHBondContact O-CG 3.37Å; Y134-L138 PolarHBondContact O-N 2.59Å; T135-L138 PolarHBondContact O-N 3.16Å; Y136-L138 PolarHBondContact O-N 2.96Å; L138-K142 VanDerWaalsContact O-CB 3.27Å; L138-K142 WeakPolarHBondContact O-CB 3.3Å; L138-K142 PolarHBondContact O-N 2.87Å
139L96.7Very high95.9Very high114 Ų11492.1 Ų92.160%0.59748%0.48SS*.Hα-helixtrans-69.1-41.2177.1-70.8173.3000112.4T135 Y136 L137 K142 S143T135-L139 VanDerWaalsContact O-CG 3.3Å; T135-L139 WeakPolarHBondContact O-CG 3.34Å; T135-L139 PolarHBondContact O-N 2.83Å; T135-L139 VanDerWaalsContact O-N 3.09Å; Y136-L139 PolarHBondContact O-N 2.89Å; L137-L139 VanDerWaalsContact C-N 3.33Å; L137-L139 PolarHBondContact O-N 3.14Å; L139-K142 PolarHBondContact O-N 3.11Å; L139-S143 WeakPolarHBondContact O-CB 3.22Å; L139-S143 PolarHBondContact O-N 2.85Å
140L96.8Very high96Very high78 Ų7894 Ų9441%0.40849%0.485SS..Hα-helixtrans-61-47.5173.8-74.9-177.7000111.3Y136 L137 K142 S143 V144Y136-L140 HydrophobicContact CD1-CD1 3.82Å; Y136-L140 HydrophobicContact CD1-CG 4.31Å; Y136-L140 HydrophobicContact CE1-CD1 3.25Å; Y136-L140 HydrophobicContact CE1-CG 3.93Å; Y136-L140 HydrophobicContact CE2-CD2 4.48Å; Y136-L140 HydrophobicContact CE2-CG 4.37Å; Y136-L140 PolarHBondContact O-N 2.89Å; L137-L140 PolarHBondContact O-N 3.11Å; L140-K142 VanDerWaalsContact C-N 3.33Å; L140-K142 PolarHBondContact O-N 2.86Å; L140-S143 WeakPolarHBondContact O-CB 3.4Å; L140-S143 PolarHBondContact O-N 2.86Å; L140-V144 WeakPolarHBondContact O-CG2 3.15Å; L140-V144 PolarHBondContact O-N 2.84Å
141L97.2Very high95.9Very high105 Ų10594.1 Ų94.155%0.5549%0.488SS..Hα-helixtrans-59.7-45.4177-178.962.5000111.2L137 S143 V144 I145L137-L141 WeakPolarHBondContact O-CB 3.44Å; L137-L141 PolarHBondContact O-N 3.24Å; L141-S143 VanDerWaalsContact C-N 3.32Å; L141-S143 PolarHBondContact O-N 3.18Å; L141-V144 PolarHBondContact O-N 2.75Å; L141-I145 HydrophobicContact CD1-CD1 4.33Å; L141-I145 HydrophobicContact CG-CD1 4.07Å; L141-I145 VanDerWaalsContact O-CG1 3.31Å; L141-I145 WeakPolarHBondContact O-CG1 3.15Å; L141-I145 PolarHBondContact O-N 3.17Å
142K95.9Very high95.9Very high114 Ų11498.6 Ų98.650%0.49650%0.502SS..Hα-helixtrans-58.6-43.3175.8-175.9170.2178.5172.60111.4L138 L139 L140 I145 Y146L138-K142 VanDerWaalsContact O-CB 3.27Å; L138-K142 WeakPolarHBondContact O-CB 3.3Å; L138-K142 PolarHBondContact O-N 2.87Å; L139-K142 PolarHBondContact O-N 3.11Å; L140-K142 VanDerWaalsContact C-N 3.33Å; L140-K142 PolarHBondContact O-N 2.86Å; K142-I145 PolarHBondContact O-N 3.26Å; K142-Y146 HydrophobicContact CD-CE2 4.23Å; K142-Y146 HydrophobicContact CG-CD2 3.92Å; K142-Y146 HydrophobicContact CG-CE2 3.62Å; K142-Y146 WeakPolarHBondContact O-CD2 3.05Å; K142-Y146 PolarHBondContact O-N 3.1Å
143S97.4Very high95.7Very high61 Ų6198.6 Ų98.643%0.42750%0.499SS..Hα-helixtrans-62.1-46.2176.8-177.80000112.6L139 L140 L141 I145 Y146 L147L139-S143 WeakPolarHBondContact O-CB 3.22Å; L139-S143 PolarHBondContact O-N 2.85Å; L140-S143 WeakPolarHBondContact O-CB 3.4Å; L140-S143 PolarHBondContact O-N 2.86Å; L141-S143 VanDerWaalsContact C-N 3.32Å; L141-S143 PolarHBondContact O-N 3.18Å; S143-I145 VanDerWaalsContact C-N 3.31Å; S143-I145 PolarHBondContact O-N 3.44Å; S143-Y146 PolarHBondContact O-N 3.21Å; S143-L147 WeakPolarHBondContact O-CG 3.35Å; S143-L147 PolarHBondContact O-N 2.82Å
144V97Very high95.4Very high94 Ų9497 Ų9757%0.5750%0.499SS*.Hα-helixtrans-59.5-42.1177172.80000111.2L140 L141 L147 A148L140-V144 WeakPolarHBondContact O-CG2 3.15Å; L140-V144 PolarHBondContact O-N 2.84Å; L141-V144 PolarHBondContact O-N 2.75Å; V144-L147 PolarHBondContact O-N 3.37Å; V144-A148 WeakPolarHBondContact O-CB 3.25Å; V144-A148 PolarHBondContact O-N 3.45Å
145I96.8Very high95Very high89 Ų8996 Ų9646%0.45650%0.502SS..Hα-helixtrans-62.7-44.8176.4-66.6165.4000111.1L141 K142 S143 L147 A148 I149L141-I145 HydrophobicContact CD1-CD1 4.33Å; L141-I145 HydrophobicContact CG-CD1 4.07Å; L141-I145 VanDerWaalsContact O-CG1 3.31Å; L141-I145 WeakPolarHBondContact O-CG1 3.15Å; L141-I145 PolarHBondContact O-N 3.17Å; K142-I145 PolarHBondContact O-N 3.26Å; S143-I145 VanDerWaalsContact C-N 3.31Å; S143-I145 PolarHBondContact O-N 3.44Å; I145-L147 PolarHBondContact O-N 2.88Å; I145-A148 PolarHBondContact O-N 2.98Å; I145-I149 HydrophobicContact CG2-CD1 3.92Å; I145-I149 WeakPolarHBondContact O-CG1 3.48Å; I145-I149 PolarHBondContact O-N 2.85Å
146Y96.1Very high94.5Very high134 Ų134100.4 Ų100.453%0.52551%0.51SS..Hα-helixtrans-60.7-42.9176.4-85.1-70000112.5K142 S143 A148 I149 I150K142-Y146 HydrophobicContact CD-CE2 4.23Å; K142-Y146 HydrophobicContact CG-CD2 3.92Å; K142-Y146 HydrophobicContact CG-CE2 3.62Å; K142-Y146 WeakPolarHBondContact O-CD2 3.05Å; K142-Y146 PolarHBondContact O-N 3.1Å; S143-Y146 PolarHBondContact O-N 3.21Å; Y146-A148 VanDerWaalsContact C-N 3.34Å; Y146-A148 PolarHBondContact O-N 3.31Å; Y146-I149 PolarHBondContact O-N 2.94Å; Y146-I150 VanDerWaalsContact O-CG1 3.31Å; Y146-I150 WeakPolarHBondContact O-CG1 2.83Å; Y146-I150 PolarHBondContact O-N 2.88Å
147L96Very high93.9Very high109 Ų109102.6 Ų102.657%0.57152%0.517SS*.Hα-helixtrans-64.7-37.8177-68.7174.9000112.1S143 V144 I145 I150 S151S143-L147 WeakPolarHBondContact O-CG 3.35Å; S143-L147 PolarHBondContact O-N 2.82Å; V144-L147 PolarHBondContact O-N 3.37Å; I145-L147 PolarHBondContact O-N 2.88Å; L147-I150 PolarHBondContact O-N 2.91Å; L147-S151 WeakPolarHBondContact O-CB 3.49Å; L147-S151 PolarHBondContact O-N 2.81Å; L147-S151 PolarHBondContact O-OG 2.76Å
148A94.9Very high93Very high53 Ų53103.6 Ų103.644%0.43853%0.526SS..Hα-helixtrans-63.9-43174.500000112.1V144 I145 Y146 S151 F152V144-A148 WeakPolarHBondContact O-CB 3.25Å; V144-A148 PolarHBondContact O-N 3.45Å; I145-A148 PolarHBondContact O-N 2.98Å; Y146-A148 VanDerWaalsContact C-N 3.34Å; Y146-A148 PolarHBondContact O-N 3.31Å; A148-S151 WeakPolarHBondContact CA-OG 3.2Å; A148-S151 PolarHBondContact O-OG 3.13Å; A148-F152 VanDerWaalsContact O-CB 3.25Å; A148-F152 WeakPolarHBondContact O-CB 3.26Å; A148-F152 PolarHBondContact O-N 3.25Å
149I95.1Very high91.8Very high97 Ų97101.2 Ų101.250%0.49752%0.52SS..Hα-helixtrans-65.1-44177.4-66.2167000111.2I145 Y146 S153I145-I149 HydrophobicContact CG2-CD1 3.92Å; I145-I149 WeakPolarHBondContact O-CG1 3.48Å; I145-I149 PolarHBondContact O-N 2.85Å; Y146-I149 PolarHBondContact O-N 2.94Å; I149-S153 WeakPolarHBondContact O-CB 3.49Å; I149-S153 PolarHBondContact O-N 3.42Å; I149-S153 PolarHBondContact O-OG 2.85Å
150I94Very high90.9Very high93 Ų93101.1 Ų101.148%0.47752%0.523SS..Hα-helixtrans-64.7-49.3179.1-68.8168.7000110.4Y146 L147 F152 S153 L154Y146-I150 VanDerWaalsContact O-CG1 3.31Å; Y146-I150 WeakPolarHBondContact O-CG1 2.83Å; Y146-I150 PolarHBondContact O-N 2.88Å; L147-I150 PolarHBondContact O-N 2.91Å; I150-F152 PolarHBondContact O-N 3.05Å; I150-S153 WeakPolarHBondContact O-CB 3.36Å; I150-S153 PolarHBondContact O-N 3.16Å; I150-S153 VanDerWaalsContact O-N 3.16Å; I150-L154 HydrophobicContact CG2-CD1 4.01Å; I150-L154 HydrophobicContact CG2-CG 4.37Å; I150-L154 WeakPolarHBondContact O-CG 3.39Å; I150-L154 PolarHBondContact O-N 2.99Å
151S93.2Very high89.2Confident57 Ų57101.6 Ų101.640%0.39953%0.533SS..Hα-helixtrans-60.8-43.7178.255.70000112.1L147 A148 S153 L154 L155L147-S151 WeakPolarHBondContact O-CB 3.49Å; L147-S151 PolarHBondContact O-N 2.81Å; L147-S151 PolarHBondContact O-OG 2.76Å; A148-S151 WeakPolarHBondContact CA-OG 3.2Å; A148-S151 PolarHBondContact O-OG 3.13Å; S151-S153 VanDerWaalsContact C-N 3.32Å; S151-S153 PolarHBondContact O-N 3.25Å; S151-L154 PolarHBondContact O-N 2.66Å; S151-L155 WeakPolarHBondContact O-CB 3.29Å; S151-L155 WeakPolarHBondContact O-CG 3.47Å; S151-L155 PolarHBondContact O-N 3.19Å
152F93.3Very high87.3Confident139 Ų13998.7 Ų98.761%0.6153%0.528SS*.Hα-helixtrans-58.7-42.9173.3179.8-99.7000112.2A148 I150 L155 R156A148-F152 VanDerWaalsContact O-CB 3.25Å; A148-F152 WeakPolarHBondContact O-CB 3.26Å; A148-F152 PolarHBondContact O-N 3.25Å; I150-F152 PolarHBondContact O-N 3.05Å; F152-L155 PolarHBondContact O-N 3.49Å; F152-R156 WeakPolarHBondContact O-CB 3.11Å; F152-R156 PolarHBondContact O-N 3.2Å
153S90.8Very high85.3Confident53 Ų53100.4 Ų100.437%0.37154%0.542SS..Hα-helixtrans-64.3-39.7177-58.60000112.3I149 I150 S151 R157I149-S153 WeakPolarHBondContact O-CB 3.49Å; I149-S153 PolarHBondContact O-N 3.42Å; I149-S153 PolarHBondContact O-OG 2.85Å; I150-S153 WeakPolarHBondContact O-CB 3.36Å; I150-S153 PolarHBondContact O-N 3.16Å; I150-S153 VanDerWaalsContact O-N 3.16Å; S151-S153 VanDerWaalsContact C-N 3.32Å; S151-S153 PolarHBondContact O-N 3.25Å; S153-R157 WeakPolarHBondContact O-CG 3.38Å; S153-R157 PolarHBondContact O-N 3.08Å; S153-R157 VanDerWaalsContact O-N 3.1Å
154L89.7Confident83.4Confident99 Ų99105.4 Ų105.452%0.51856%0.559SS.*Hα-helixtrans-69.8-41.4175.7-67.9175.6000112.2I150 S151 R157 T158I150-L154 HydrophobicContact CG2-CD1 4.01Å; I150-L154 HydrophobicContact CG2-CG 4.37Å; I150-L154 WeakPolarHBondContact O-CG 3.39Å; I150-L154 PolarHBondContact O-N 2.99Å; S151-L154 PolarHBondContact O-N 2.66Å; L154-R157 PolarHBondContact O-N 3.22Å; L154-T158 WeakPolarHBondContact O-CG2 3.5Å; L154-T158 PolarHBondContact O-N 2.64Å; L154-T158 PolarHBondContact O-OG1 2.77Å
155L87.9Confident81.1Confident117 Ų117110.1 Ų110.161%0.61357%0.572SS**Hα-helixtrans-60.8-44.9174.3-74.5170000111.3S151 F152 R157 T158 S159S151-L155 WeakPolarHBondContact O-CB 3.29Å; S151-L155 WeakPolarHBondContact O-CG 3.47Å; S151-L155 PolarHBondContact O-N 3.19Å; F152-L155 PolarHBondContact O-N 3.49Å; L155-R157 VanDerWaalsContact C-N 3.32Å; L155-R157 PolarHBondContact O-N 3.43Å; L155-T158 WeakPolarHBondContact CA-OG1 3.34Å; L155-T158 PolarHBondContact O-N 2.91Å; L155-T158 PolarHBondContact O-OG1 2.84Å; L155-S159 PolarHBondContact O-N 3.02Å; L155-S159 PolarHBondContact O-OG 2.95Å
156R85.2Confident78.9Confident174 Ų174115.5 Ų115.566%0.65759%0.592SS**Hα-helixtrans-62-37.7175.3-173179.6177-170.1-0.1112.4F152 S159 V160F152-R156 WeakPolarHBondContact O-CB 3.11Å; F152-R156 PolarHBondContact O-N 3.2Å; R156-S159 PolarHBondContact O-OG 3.34Å; R156-S159 VanDerWaalsContact O-OG 3.04Å; R156-V160 VanDerWaalsContact O-CG2 3.27Å; R156-V160 WeakPolarHBondContact O-CG2 3.48Å; R156-V160 PolarHBondContact O-N 2.83Å
157R83.6Confident76.3Confident188 Ų188117.9 Ų117.971%0.70963%0.628SS**Hα-helixtrans-71-40.5176.3-75.6-177.8-176.21792112.5S153 L154 L155 V160 C161S153-R157 WeakPolarHBondContact O-CG 3.38Å; S153-R157 PolarHBondContact O-N 3.08Å; S153-R157 VanDerWaalsContact O-N 3.1Å; L154-R157 PolarHBondContact O-N 3.22Å; L155-R157 VanDerWaalsContact C-N 3.32Å; L155-R157 PolarHBondContact O-N 3.43Å; R157-V160 PolarHBondContact O-N 3.1Å; R157-C161 WeakPolarHBondContact O-CB 2.8Å; R157-C161 PolarHBondContact O-N 2.87Å; R157-C161 VanDerWaalsContact O-N 3.09Å
158T78.9Confident75.3Confident89 Ų89118.3 Ų118.355%0.54663%0.631SS.*Hα-helixtrans-71.1-34.5179.650.30000112.6L154 L155 V160 C161 G162L154-T158 WeakPolarHBondContact O-CG2 3.5Å; L154-T158 PolarHBondContact O-N 2.64Å; L154-T158 PolarHBondContact O-OG1 2.77Å; L155-T158 WeakPolarHBondContact CA-OG1 3.34Å; L155-T158 PolarHBondContact O-N 2.91Å; L155-T158 PolarHBondContact O-OG1 2.84Å; T158-V160 VanDerWaalsContact C-N 3.33Å; T158-V160 PolarHBondContact O-N 3.12Å; T158-C161 PolarHBondContact O-N 3.01Å; T158-G162 WeakPolarHBondContact O-CA 3.26Å; T158-G162 PolarHBondContact O-N 3.12Å
159S72.4Confident74.3Confident69 Ų69121.7 Ų121.748%0.48364%0.641SS.*Hα-helixtrans-65.8-36.4173.266.80000112.5L155 R156L155-S159 PolarHBondContact O-N 3.02Å; L155-S159 PolarHBondContact O-OG 2.95Å; R156-S159 PolarHBondContact O-OG 3.34Å; R156-S159 VanDerWaalsContact O-OG 3.04Å
160V76.6Confident73.1Confident111 Ų111123.1 Ų123.167%0.67365%0.649SS**Hα-helixtrans-68.9-39.5176.6170.30000111.1R156 R157 T158R156-V160 VanDerWaalsContact O-CG2 3.27Å; R156-V160 WeakPolarHBondContact O-CG2 3.48Å; R156-V160 PolarHBondContact O-N 2.83Å; R157-V160 PolarHBondContact O-N 3.1Å; T158-V160 VanDerWaalsContact C-N 3.33Å; T158-V160 PolarHBondContact O-N 3.12Å
161C61.4Low71.9Confident89 Ų89124.9 Ų124.960%0.60166%0.659SS**Hα-helixtrans-89.1-21.9-176.9-150.30000113.7R157 T158 N163 E164R157-C161 WeakPolarHBondContact O-CB 2.8Å; R157-C161 PolarHBondContact O-N 2.87Å; R157-C161 VanDerWaalsContact O-N 3.09Å; T158-C161 PolarHBondContact O-N 3.01Å; C161-N163 VanDerWaalsContact C-N 3.32Å; C161-N163 PolarHBondContact O-N 3.25Å; C161-E164 PolarHBondContact O-N 2.81Å
162G58Low70.6Confident44 Ų44129.1 Ų129.145%0.45468%0.675SS.*Hα-helixtrans-75.2-15.917900000114.6T158 E164T158-G162 WeakPolarHBondContact O-CA 3.26Å; T158-G162 PolarHBondContact O-N 3.12Å; G162-E164 PolarHBondContact O-N 2.82Å
163N54Low69Low149 Ų149128.5 Ų128.580%0.79768%0.68SS**THydrogen-bonded Turntrans-76.3-3173.7-80.2-15.4000113.6C161C161-N163 VanDerWaalsContact C-N 3.32Å; C161-N163 PolarHBondContact O-N 3.25Å
164E56.1Low67.5Low167 Ų167133.9 Ų133.978%0.7870%0.702SS**THydrogen-bonded Turntrans-104.24-179.6-141.8178.615400114C161 G162C161-E164 PolarHBondContact O-N 2.81Å; G162-E164 PolarHBondContact O-N 2.82Å
165K49.1Very low65.8Low192 Ų192136.5 Ų136.584%0.83572%0.716SS**SBendtrans-122.821.4177.2-70.1-167.1179.6-179.30115.1
166K49.9Very low63.9Low203 Ų203138.2 Ų138.288%0.88373%0.725SS**  trans-108.273.1158.4-68.1-167.9-179.8-174.50108.4
167S42Very low62Low183 Ų183134.9 Ų134.9100%1.2873%0.731SS**  trans-103.30155.3-178.50000108.6

Retrieved 167 of 167 residues in 246.8 ms (Link to these results)

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