| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 44.2 | Very low | 83 | Confident | 151 Ų | 151 | 54.2 Ų | 54.2 | 74% | 0.744 | 31% | 0.31 | S | S | * | . | 0 | 117.9 | 0 | -173.4 | -180 | -80.1 | 0 | 0 | 105 | E3 E120 | M1-E3 VanDerWaalsContact C-N 3.26Å; M1-E3 PolarHBondContact O-N 3.25Å; M1-E120 VanDerWaalsContact C-OE1 3.29Å; M1-E120 WeakPolarHBondContact CA-OE1 3.32Å; M1-E120 PolarHBondContact N-OE1 3.1Å | |||
| 2 | V | 55 | Low | 84.1 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | trans | -74.9 | 83.8 | -178.9 | -175.2 | 0 | 0 | 0 | 0 | 108.2 | V4 S6 L24 E120 | V2-V4 HydrophobicContact CG1-CG1 4.08Å; V2-V4 PolarHBondContact O-N 3.15Å; V2-S6 PolarHBondContact O-N 2.82Å; V2-L24 HydrophobicContact CB-CB 4.44Å; V2-L24 HydrophobicContact CG1-CB 3.91Å; V2-L24 HydrophobicContact CG1-CD1 3.75Å; V2-L24 HydrophobicContact CG1-CG 4.46Å; V2-L24 HydrophobicContact CG2-CB 3.7Å; V2-E120 VanDerWaalsContact CA-O 3.29Å; V2-E120 WeakPolarHBondContact CA-O 3.46Å; V2-E120 HydrophobicContact CB-CG 4.07Å; V2-E120 HydrophobicContact CG1-CG 4.47Å; V2-E120 WeakPolarHBondContact CG1-O 3.39Å; V2-E120 HydrophobicContact CG2-CG 3.32Å; V2-E120 PolarHBondContact N-OE1 2.88Å | ||
| 3 | E | 76.9 | Confident | 84.7 | Confident | 123 Ų | 123 | 51 Ų | 51 | 58% | 0.575 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -64.8 | -28.1 | -172.3 | -68.8 | -166.5 | 167 | 0 | 0 | 112.7 | M1 F5 | M1-E3 VanDerWaalsContact C-N 3.26Å; M1-E3 PolarHBondContact O-N 3.25Å; E3-F5 PolarHBondContact O-N 3.27Å |
| 4 | V | 86.6 | Confident | 85.2 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.006 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -70.3 | -28.3 | -173.3 | 65.5 | 0 | 0 | 0 | 0 | 113.5 | V2 I31 Y99 L103 Y107 | V2-V4 HydrophobicContact CG1-CG1 4.08Å; V2-V4 PolarHBondContact O-N 3.15Å; V4-I31 HydrophobicContact CG2-CD1 4.06Å; V4-Y99 WeakPolarHBondContact O-CE1 3.46Å; V4-Y99 VanDerWaalsContact O-CZ 3.24Å; V4-Y99 PolarHBondContact O-OH 3.15Å; V4-L103 HydrophobicContact CG2-CD2 3.91Å; V4-Y107 HydrophobicContact CG2-CE2 4.37Å; V4-Y107 WeakPolarHBondContact CG2-OH 3.09Å |
| 5 | F | 91.8 | Very high | 85.6 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 0% | 0.004 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -120.4 | 16.1 | 176.6 | -65.1 | -73.8 | 0 | 0 | 0 | 112.5 | E3 G7 R8 L10 P20 L24 I31 V68 I70 L93 Y99 L103 | E3-F5 PolarHBondContact O-N 3.27Å; F5-G7 PolarHBondContact O-N 3.32Å; F5-R8 VanDerWaalsContact O-CB 3.28Å; F5-R8 WeakPolarHBondContact O-CB 3.39Å; F5-R8 PolarHBondContact O-N 3.45Å; F5-L10 HydrophobicContact CD1-CD2 4.09Å; F5-L10 HydrophobicContact CE1-CD2 4.29Å; F5-L10 HydrophobicContact CG-CD2 4.46Å; F5-P20 HydrophobicContact CB-CB 3.64Å; F5-P20 HydrophobicContact CB-CG 3.92Å; F5-L24 HydrophobicContact CD2-CD1 3.6Å; F5-L24 HydrophobicContact CE2-CD1 4.27Å; F5-L24 HydrophobicContact CG-CD1 4.46Å; F5-I31 HydrophobicContact CE2-CG1 4.49Å; F5-V68 HydrophobicContact CD2-CG2 4.41Å; F5-V68 HydrophobicContact CE1-CG1 4.01Å; F5-V68 HydrophobicContact CE2-CB 3.96Å; F5-V68 HydrophobicContact CE2-CG1 4.02Å; F5-V68 HydrophobicContact CE2-CG2 3.8Å; F5-V68 HydrophobicContact CZ-CB 3.88Å; F5-V68 HydrophobicContact CZ-CG1 3.56Å; F5-V68 HydrophobicContact CZ-CG2 4.21Å; F5-I70 HydrophobicContact CE1-CD1 4.17Å; F5-I70 HydrophobicContact CZ-CD1 4.23Å; F5-L93 HydrophobicContact CE1-CD1 4.5Å; F5-Y99 HydrophobicContact CD1-CD1 4.25Å; F5-Y99 HydrophobicContact CD1-CE1 4.04Å; F5-Y99 HydrophobicContact CE1-CD1 4.36Å; F5-Y99 HydrophobicContact CE1-CE1 4.21Å; F5-L103 HydrophobicContact CE1-CD1 3.75Å; F5-L103 HydrophobicContact CZ-CD1 4.19Å |
| 6 | S | 87.5 | Confident | 86.2 | Confident | 53 Ų | 53 | 58.4 Ų | 58.4 | 37% | 0.371 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 135.5 | -178.6 | -174.4 | 0 | 0 | 0 | 0 | 111.4 | V2 R8 | V2-S6 PolarHBondContact O-N 2.82Å; S6-R8 PolarHBondContact O-N 3.03Å |
| 7 | G | 88.4 | Confident | 86.8 | Confident | 78 Ų | 78 | 63.5 Ų | 63.5 | 80% | 0.804 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | 11.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | F5 | F5-G7 PolarHBondContact O-N 3.32Š|
| 8 | R | 92.9 | Very high | 87.3 | Confident | 96 Ų | 96 | 62.1 Ų | 62.1 | 36% | 0.362 | 35% | 0.348 | S | S | . | . | trans | -110.4 | 171.5 | 174.8 | -52.7 | -61.3 | 178.1 | 166.9 | -3.5 | 110.9 | F5 S6 P20 D97 | F5-R8 VanDerWaalsContact O-CB 3.28Å; F5-R8 WeakPolarHBondContact O-CB 3.39Å; F5-R8 PolarHBondContact O-N 3.45Å; S6-R8 PolarHBondContact O-N 3.03Å; R8-P20 WeakPolarHBondContact O-CD 3.24Å; R8-P20 WeakPolarHBondContact O-CG 2.97Å; R8-D97 IonicContact NH1-OD1 3.72Å; R8-D97 IonicContact NH1-OD2 3.96Å | ||
| 9 | T | 95.3 | Very high | 87.7 | Confident | 63 Ų | 63 | 63.2 Ų | 63.2 | 39% | 0.387 | 35% | 0.353 | S | S | . | . | trans | -120 | 145.5 | 168.2 | 54.2 | 0 | 0 | 0 | 0 | 109.4 | F17 P94 | T9-F17 WeakPolarHBondContact OG1-CD1 3.16Å; T9-P94 VanDerWaalsContact O-CD 3.27Å; T9-P94 WeakPolarHBondContact O-CD 2.93Å | ||
| 10 | L | 97.3 | Very high | 88 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 165.4 | 171.1 | -63.4 | 176.8 | 0 | 0 | 0 | 109.6 | F5 F17 V18 P20 L24 V68 L91 A92 L93 | F5-L10 HydrophobicContact CD1-CD2 4.09Å; F5-L10 HydrophobicContact CE1-CD2 4.29Å; F5-L10 HydrophobicContact CG-CD2 4.46Å; L10-F17 CarbonylContact O-C 3.57Å; L10-F17 VanDerWaalsContact O-CA 3.28Å; L10-F17 WeakPolarHBondContact O-CA 3.26Å; L10-V18 PolarHBondContact N-O 3.19Å; L10-V18 PolarHBondContact O-N 3.35Å; L10-P20 HydrophobicContact CD1-CB 4.07Å; L10-P20 HydrophobicContact CD1-CG 4.34Å; L10-P20 HydrophobicContact CG-CB 4.35Å; L10-P20 HydrophobicContact CG-CG 4.07Å; L10-L24 HydrophobicContact CD1-CD1 3.98Å; L10-V68 HydrophobicContact CD1-CG1 4.09Å; L10-V68 HydrophobicContact CD1-CG2 3.79Å; L10-V68 HydrophobicContact CD2-CG1 3.62Å; L10-V68 HydrophobicContact CG-CG1 4.49Å; L10-L91 HydrophobicContact CB-CB 4.27Å; L10-L91 HydrophobicContact CB-CD1 4.38Å; L10-L91 HydrophobicContact CD1-CB 4.15Å; L10-L91 HydrophobicContact CD1-CD1 3.67Å; L10-A92 CarbonylContact C-O 3.5Å; L10-A92 WeakPolarHBondContact CA-O 3.48Å; L10-L93 HydrophobicContact CD2-CB 4.33Å; L10-L93 HydrophobicContact CD2-CD1 4.12Å |
| 11 | L | 97.4 | Very high | 88.1 | Confident | 30 Ų | 30 | 61.1 Ų | 61.1 | 16% | 0.157 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 135.2 | 173.9 | -62.1 | 171.8 | 0 | 0 | 0 | 108.9 | D16 F17 L91 A92 P94 | L11-D16 WeakPolarHBondContact CA-O 3.32Å; L11-F17 HydrophobicContact CD2-CD1 3.57Å; L11-F17 HydrophobicContact CD2-CE1 3.54Å; L11-F17 HydrophobicContact CD2-CG 4.18Å; L11-F17 HydrophobicContact CD2-CZ 4.12Å; L11-F17 HydrophobicContact CG-CE1 4.49Å; L11-L91 CarbonylContact O-C 3.52Å; L11-L91 VanDerWaalsContact O-CA 3.26Å; L11-L91 WeakPolarHBondContact O-CA 3.24Å; L11-A92 PolarHBondContact N-O 3.16Å; L11-A92 PolarHBondContact O-N 2.83Å; L11-P94 HydrophobicContact CD1-CB 4.14Å; L11-P94 HydrophobicContact CD1-CG 4.11Å; L11-P94 HydrophobicContact CG-CG 4.01Å |
| 12 | N | 95.8 | Very high | 90.3 | Very high | 33 Ų | 33 | 60 Ų | 60 | 18% | 0.176 | 33% | 0.331 | C | S | . | . | trans | -83.2 | -174.4 | 164.1 | 70.7 | 2.2 | 0 | 0 | 0 | 110.7 | D14 G15 D16 V18 L91 | N12-D14 VanDerWaalsContact C-N 3.28Å; N12-D14 PolarHBondContact O-N 3Å; N12-D14 PolarHBondContact OD1-N 2.73Å; N12-G15 PolarHBondContact O-N 3.37Å; N12-G15 PolarHBondContact OD1-N 3.2Å; N12-D16 PolarHBondContact N-O 3.27Å; N12-D16 PolarHBondContact OD1-N 3.42Å; N12-D16 PolarHBondContact OD1-O 2.87Å; N12-V18 HydrophobicContact CB-CG2 3.95Å; N12-L91 HydrophobicContact CB-CD2 4.16Å | ||
| 13 | K | 91.9 | Very high | 92.1 | Very high | 34 Ų | 34 | 60.9 Ų | 60.9 | 15% | 0.148 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -23.8 | 179.1 | -162.2 | 64.6 | 166.9 | -152.4 | 0 | 114.4 | G15 Y83 H84 H87 G88 D89 | K13-G15 VanDerWaalsContact C-N 3.25Å; K13-G15 PolarHBondContact O-N 2.84Å; K13-Y83 HydrophobicContact CD-CD1 4.15Å; K13-Y83 HydrophobicContact CD-CE1 3.79Å; K13-Y83 PolarHBondContact NZ-O 2.95Å; K13-H84 PolarHBondContact O-CE1 3.18Å; K13-H87 PolarHBondContact NZ-O 3.25Å; K13-G88 PolarHBondContact NZ-O 3Å; K13-D89 WeakPolarHBondContact CB-OD1 3.2Å |
| 14 | D | 91.7 | Very high | 92.9 | Very high | 132 Ų | 132 | 55 Ų | 55 | 71% | 0.706 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -8.8 | 175.5 | -61.1 | -47.5 | 0 | 0 | 0 | 112.8 | N12 | N12-D14 VanDerWaalsContact C-N 3.28Å; N12-D14 PolarHBondContact O-N 3Å; N12-D14 PolarHBondContact OD1-N 2.73Å |
| 15 | G | 91 | Very high | 93.1 | Very high | 41 Ų | 41 | 61.3 Ų | 61.3 | 42% | 0.423 | 33% | 0.334 | S | S | . | . | S | Bend | trans | 84.4 | 9.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | N12 K13 | N12-G15 PolarHBondContact O-N 3.37Å; N12-G15 PolarHBondContact OD1-N 3.2Å; K13-G15 VanDerWaalsContact C-N 3.25Å; K13-G15 PolarHBondContact O-N 2.84Å |
| 16 | D | 95.3 | Very high | 93.1 | Very high | 99 Ų | 99 | 66.1 Ų | 66.1 | 53% | 0.529 | 36% | 0.36 | S | S | . | . | trans | -78.7 | 145.7 | 175.3 | -68.6 | -40.8 | 0 | 0 | 0 | 111.4 | L11 N12 | L11-D16 WeakPolarHBondContact CA-O 3.32Å; N12-D16 PolarHBondContact N-O 3.27Å; N12-D16 PolarHBondContact OD1-N 3.42Å; N12-D16 PolarHBondContact OD1-O 2.87Å | ||
| 17 | F | 96.3 | Very high | 93.4 | Very high | 144 Ų | 144 | 66 Ų | 66 | 63% | 0.632 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 129.9 | 174.2 | -68.3 | -74 | 0 | 0 | 0 | 111.3 | T9 L10 L11 P94 | T9-F17 WeakPolarHBondContact OG1-CD1 3.16Å; L10-F17 CarbonylContact O-C 3.57Å; L10-F17 VanDerWaalsContact O-CA 3.28Å; L10-F17 WeakPolarHBondContact O-CA 3.26Å; L11-F17 HydrophobicContact CD2-CD1 3.57Å; L11-F17 HydrophobicContact CD2-CE1 3.54Å; L11-F17 HydrophobicContact CD2-CG 4.18Å; L11-F17 HydrophobicContact CD2-CZ 4.12Å; L11-F17 HydrophobicContact CG-CE1 4.49Å; F17-P94 HydrophobicContact CE1-CG 4.11Å |
| 18 | V | 95.9 | Very high | 93.7 | Very high | 39 Ų | 39 | 62.3 Ų | 62.3 | 24% | 0.236 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 139.7 | 179.6 | -174.9 | 0 | 0 | 0 | 0 | 109.9 | L10 N12 P20 A23 L91 | L10-V18 PolarHBondContact N-O 3.19Å; L10-V18 PolarHBondContact O-N 3.35Å; N12-V18 HydrophobicContact CB-CG2 3.95Å; V18-P20 WeakPolarHBondContact O-CD 3.33Å; V18-A23 HydrophobicContact CG1-CB 3.61Å; V18-L91 HydrophobicContact CG2-CD2 4.39Å |
| 19 | D | 94.8 | Very high | 93.9 | Very high | 83 Ų | 83 | 57.7 Ų | 57.7 | 44% | 0.444 | 30% | 0.297 | S | S | . | . | trans | -71.8 | 116 | 171.8 | -175.1 | -6.3 | 0 | 0 | 0 | 110.2 | E21 E22 A23 | D19-E21 PolarHBondContact O-N 3.13Å; D19-E21 WeakPolarHBondContact OD1-CB 3.5Å; D19-E21 PolarHBondContact OD1-N 2.94Å; D19-E22 HydrophobicContact CB-CB 4.49Å; D19-E22 PolarHBondContact O-N 3.42Å; D19-A23 PolarHBondContact O-N 3.29Å | ||
| 20 | P | 93.8 | Very high | 94.1 | Very high | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.013 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.6 | -31.1 | 178.3 | -11.1 | 20.9 | 0 | 0 | 0 | 112.8 | F5 R8 L10 V18 E22 L24 | F5-P20 HydrophobicContact CB-CB 3.64Å; F5-P20 HydrophobicContact CB-CG 3.92Å; R8-P20 WeakPolarHBondContact O-CD 3.24Å; R8-P20 WeakPolarHBondContact O-CG 2.97Å; L10-P20 HydrophobicContact CD1-CB 4.07Å; L10-P20 HydrophobicContact CD1-CG 4.34Å; L10-P20 HydrophobicContact CG-CB 4.35Å; L10-P20 HydrophobicContact CG-CG 4.07Å; V18-P20 WeakPolarHBondContact O-CD 3.33Å; P20-E22 VanDerWaalsContact C-N 3.26Å; P20-E22 PolarHBondContact O-N 3.5Å; P20-L24 HydrophobicContact CB-CD1 4.09Å; P20-L24 VanDerWaalsContact O-CB 3.27Å; P20-L24 WeakPolarHBondContact O-CB 3.35Å; P20-L24 WeakPolarHBondContact O-CG 3.08Å; P20-L24 PolarHBondContact O-N 2.93Å |
| 21 | E | 90.7 | Very high | 94.1 | Very high | 80 Ų | 80 | 54.7 Ų | 54.7 | 37% | 0.374 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.9 | -29.4 | -178.5 | -66.1 | -167.7 | -178 | 0 | 0 | 112.4 | D19 R25 | D19-E21 PolarHBondContact O-N 3.13Å; D19-E21 WeakPolarHBondContact OD1-CB 3.5Å; D19-E21 PolarHBondContact OD1-N 2.94Å; E21-R25 WeakPolarHBondContact O-CB 3.24Å |
| 22 | E | 91.1 | Very high | 94.2 | Very high | 128 Ų | 128 | 53.3 Ų | 53.3 | 60% | 0.598 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -84.9 | -49.7 | 174.2 | -177.5 | 169.4 | -168.2 | 0 | 0 | 111.4 | D19 P20 L24 R25 | D19-E22 HydrophobicContact CB-CB 4.49Å; D19-E22 PolarHBondContact O-N 3.42Å; P20-E22 VanDerWaalsContact C-N 3.26Å; P20-E22 PolarHBondContact O-N 3.5Å; E22-L24 VanDerWaalsContact C-N 3.32Å; E22-L24 PolarHBondContact O-N 3.09Å; E22-R25 PolarHBondContact O-N 2.88Å |
| 23 | A | 93.1 | Very high | 94.3 | Very high | 18 Ų | 18 | 51.7 Ų | 51.7 | 15% | 0.149 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -70 | -27.3 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114 | V18 D19 K27 L91 | V18-A23 HydrophobicContact CG1-CB 3.61Å; D19-A23 PolarHBondContact O-N 3.29Å; A23-K27 WeakPolarHBondContact O-CD 3.3Å; A23-K27 VanDerWaalsContact O-CE 3.28Å; A23-K27 WeakPolarHBondContact O-CE 3.48Å; A23-K27 PolarHBondContact O-NZ 3.5Å; A23-L91 HydrophobicContact CB-CD1 3.78Å |
| 24 | L | 93.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | -1.4 | -177 | -55.3 | 176.4 | 0 | 0 | 0 | 113.5 | V2 F5 L10 P20 E22 N26 K27 V29 E66 V68 L91 | V2-L24 HydrophobicContact CB-CB 4.44Å; V2-L24 HydrophobicContact CG1-CB 3.91Å; V2-L24 HydrophobicContact CG1-CD1 3.75Å; V2-L24 HydrophobicContact CG1-CG 4.46Å; V2-L24 HydrophobicContact CG2-CB 3.7Å; F5-L24 HydrophobicContact CD2-CD1 3.6Å; F5-L24 HydrophobicContact CE2-CD1 4.27Å; F5-L24 HydrophobicContact CG-CD1 4.46Å; L10-L24 HydrophobicContact CD1-CD1 3.98Å; P20-L24 HydrophobicContact CB-CD1 4.09Å; P20-L24 VanDerWaalsContact O-CB 3.27Å; P20-L24 WeakPolarHBondContact O-CB 3.35Å; P20-L24 WeakPolarHBondContact O-CG 3.08Å; P20-L24 PolarHBondContact O-N 2.93Å; E22-L24 VanDerWaalsContact C-N 3.32Å; E22-L24 PolarHBondContact O-N 3.09Å; L24-N26 PolarHBondContact O-N 3.47Å; L24-K27 PolarHBondContact O-N 3.38Å; L24-V29 HydrophobicContact CB-CG2 4.13Å; L24-V29 HydrophobicContact CD1-CG2 4.47Å; L24-V29 HydrophobicContact CD2-CG1 4.25Å; L24-V29 HydrophobicContact CD2-CG2 3.99Å; L24-V29 HydrophobicContact CG-CG2 4.44Å; L24-E66 HydrophobicContact CD2-CB 3.64Å; L24-E66 HydrophobicContact CD2-CG 3.39Å; L24-V68 HydrophobicContact CD1-CG2 4.14Å; L24-V68 HydrophobicContact CD2-CG2 4Å; L24-L91 HydrophobicContact CD2-CD1 4.17Å |
| 25 | R | 90.8 | Very high | 94.9 | Very high | 133 Ų | 133 | 43.8 Ų | 43.8 | 50% | 0.502 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 130.9 | -177.3 | -174.6 | 172.7 | 58.1 | -127.8 | -4.6 | 112.1 | E21 E22 K27 | E21-R25 WeakPolarHBondContact O-CB 3.24Å; E22-R25 PolarHBondContact O-N 2.88Å; R25-K27 PolarHBondContact O-N 3.37Å |
| 26 | N | 90.3 | Very high | 95.2 | Very high | 103 Ų | 103 | 42.3 Ų | 42.3 | 55% | 0.551 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 28.8 | -179.9 | -58.9 | -41 | 0 | 0 | 0 | 113.8 | L24 Q64 E120 | L24-N26 PolarHBondContact O-N 3.47Å; N26-Q64 WeakPolarHBondContact O-CB 3.16Å; N26-E120 PolarHBondContact N-OE2 3.21Å |
| 27 | K | 93.7 | Very high | 95.2 | Very high | 50 Ų | 50 | 44.3 Ų | 44.3 | 22% | 0.217 | 21% | 0.207 | C | C | . | . | trans | -116.1 | 149.9 | 177.2 | -63 | -175.5 | -177.9 | 171.2 | 0 | 111.6 | A23 L24 R25 Q64 E66 | A23-K27 WeakPolarHBondContact O-CD 3.3Å; A23-K27 VanDerWaalsContact O-CE 3.28Å; A23-K27 WeakPolarHBondContact O-CE 3.48Å; A23-K27 PolarHBondContact O-NZ 3.5Å; L24-K27 PolarHBondContact O-N 3.38Å; R25-K27 PolarHBondContact O-N 3.37Å; K27-Q64 WeakPolarHBondContact CA-O 3.15Å; K27-E66 HydrophobicContact CD-CB 3.68Å; K27-E66 IonicContact NZ-OE2 3.53Å; K27-E66 PolarHBondContact NZ-OE2 2.84Å | ||
| 28 | V | 95.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 133.4 | 157.3 | 177.1 | 0 | 0 | 0 | 0 | 107.4 | Q64 F65 E66 I117 I125 F141 W144 L145 A148 I150 | V28-Q64 PolarHBondContact N-O 3.41Å; V28-F65 HydrophobicContact CB-CD2 4.06Å; V28-F65 HydrophobicContact CG1-CD2 4.04Å; V28-F65 HydrophobicContact CG1-CE2 4.27Å; V28-F65 WeakPolarHBondContact O-CA 3.34Å; V28-F65 VanDerWaalsContact O-CD2 3.28Å; V28-F65 WeakPolarHBondContact O-CD2 3.49Å; V28-E66 PolarHBondContact O-N 3.3Å; V28-I117 HydrophobicContact CG1-CG2 3.32Å; V28-I125 HydrophobicContact CG1-CD1 4.27Å; V28-F141 HydrophobicContact CB-CE2 4.3Å; V28-F141 HydrophobicContact CG2-CE2 4.38Å; V28-W144 HydrophobicContact CG1-CB 4.18Å; V28-W144 HydrophobicContact CG1-CE3 4.5Å; V28-W144 HydrophobicContact CG2-CB 4.47Å; V28-L145 HydrophobicContact CG2-CD2 4.05Å; V28-A148 HydrophobicContact CG2-CB 3.83Å; V28-I150 HydrophobicContact CG2-CD1 3.74Å |
| 29 | V | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 124.3 | -178.3 | -175.1 | 0 | 0 | 0 | 0 | 110.4 | L24 I31 E66 V68 I117 V118 | L24-V29 HydrophobicContact CB-CG2 4.13Å; L24-V29 HydrophobicContact CD1-CG2 4.47Å; L24-V29 HydrophobicContact CD2-CG1 4.25Å; L24-V29 HydrophobicContact CD2-CG2 3.99Å; L24-V29 HydrophobicContact CG-CG2 4.44Å; V29-I31 HydrophobicContact CG1-CG1 4.35Å; V29-E66 CarbonylContact C-O 3.53Å; V29-E66 WeakPolarHBondContact CA-O 3.43Å; V29-V68 HydrophobicContact CG1-CG2 3.99Å; V29-I117 WeakPolarHBondContact O-CA 3.09Å; V29-V118 HydrophobicContact CB-CG2 3.86Å; V29-V118 HydrophobicContact CG1-CG2 4.43Å; V29-V118 PolarHBondContact N-O 3.37Å; V29-V118 WeakPolarHBondContact O-CG2 3.48Å; V29-V118 PolarHBondContact O-N 2.86Å |
| 30 | G | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 104.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111 | Y32 E66 I67 V68 | G30-Y32 PolarHBondContact O-N 3.05Å; G30-E66 PolarHBondContact N-O 3.13Å; G30-I67 WeakPolarHBondContact O-CA 3.26Å; G30-V68 PolarHBondContact O-N 2.99Å |
| 31 | I | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 107.6 | 173.4 | -50.8 | 177 | 0 | 0 | 0 | 108.1 | V4 F5 V29 F33 I70 Y107 V116 V118 | V4-I31 HydrophobicContact CG2-CD1 4.06Å; F5-I31 HydrophobicContact CE2-CG1 4.49Å; V29-I31 HydrophobicContact CG1-CG1 4.35Å; I31-F33 HydrophobicContact CB-CE2 4.08Å; I31-F33 HydrophobicContact CG2-CD2 4.21Å; I31-F33 HydrophobicContact CG2-CE1 4.37Å; I31-F33 HydrophobicContact CG2-CE2 3.44Å; I31-F33 VanDerWaalsContact CG2-CE2 3.44Å; I31-F33 HydrophobicContact CG2-CZ 3.54Å; I31-I70 HydrophobicContact CG2-CD1 4.34Å; I31-I70 HydrophobicContact CG2-CG1 3.56Å; I31-Y107 HydrophobicContact CD1-CD2 4.25Å; I31-Y107 HydrophobicContact CD1-CE2 3.49Å; I31-Y107 VanDerWaalsContact CD1-CE2 3.49Å; I31-V116 PolarHBondContact N-O 2.85Å; I31-V116 PolarHBondContact O-N 3.14Å; I31-V118 HydrophobicContact CD1-CG1 4.18Å; I31-V118 HydrophobicContact CD1-CG2 3.98Å; I31-V118 HydrophobicContact CG1-CG2 4.16Å |
| 32 | Y | 98.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 105.5 | -172.7 | -178.3 | -142.5 | 0 | 0 | 0 | 111.5 | G30 S34 F44 T45 L48 V68 F69 I70 H87 P113 L115 | G30-Y32 PolarHBondContact O-N 3.05Å; Y32-S34 PolarHBondContact OH-OG 2.95Å; Y32-F44 AromaticContact CE2-CD1 3.82Å; Y32-F44 HydrophobicContact CE2-CD1 3.82Å; Y32-F44 AromaticContact CE2-CE1 3.95Å; Y32-F44 HydrophobicContact CE2-CE1 3.95Å; Y32-T45 HydrophobicContact CE1-CG2 4.48Å; Y32-T45 PolarHBondContact OH-OG1 3.45Å; Y32-L48 HydrophobicContact CD1-CD2 3.7Å; Y32-L48 HydrophobicContact CD2-CD2 4.07Å; Y32-L48 HydrophobicContact CE1-CD2 3.89Å; Y32-L48 HydrophobicContact CE2-CD2 4.27Å; Y32-L48 HydrophobicContact CG-CD2 3.79Å; Y32-V68 PolarHBondContact N-O 2.8Å; Y32-F69 HydrophobicContact CD1-CD2 4.31Å; Y32-F69 WeakPolarHBondContact O-CD2 3.4Å; Y32-I70 PolarHBondContact O-N 3.32Å; Y32-H87 AromaticContact CD1-CE1 3.78Å; Y32-H87 AromaticContact CE1-CE1 3.55Å; Y32-P113 HydrophobicContact CE2-CB 3.88Å; Y32-L115 HydrophobicContact CD2-CB 4.46Å; Y32-L115 HydrophobicContact CD2-CD1 4.38Å; Y32-L115 HydrophobicContact CG-CD1 4.47Å |
| 33 | F | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 116.7 | 174.8 | -58.5 | -93 | 0 | 0 | 0 | 109.8 | I31 I70 L103 K104 Y107 I109 V112 P113 K114 V116 | I31-F33 HydrophobicContact CB-CE2 4.08Å; I31-F33 HydrophobicContact CG2-CD2 4.21Å; I31-F33 HydrophobicContact CG2-CE1 4.37Å; I31-F33 HydrophobicContact CG2-CE2 3.44Å; I31-F33 VanDerWaalsContact CG2-CE2 3.44Å; I31-F33 HydrophobicContact CG2-CZ 3.54Å; F33-I70 HydrophobicContact CD1-CB 3.69Å; F33-I70 HydrophobicContact CD1-CG1 4.25Å; F33-I70 HydrophobicContact CD1-CG2 3.79Å; F33-I70 HydrophobicContact CE1-CB 3.86Å; F33-I70 HydrophobicContact CE1-CG1 3.99Å; F33-I70 HydrophobicContact CE1-CG2 3.78Å; F33-I70 HydrophobicContact CG-CB 4.38Å; F33-I70 HydrophobicContact CZ-CG1 4.36Å; F33-L103 HydrophobicContact CE1-CB 3.94Å; F33-L103 HydrophobicContact CZ-CB 3.98Å; F33-K104 HydrophobicContact CD1-CG 3.91Å; F33-K104 HydrophobicContact CE1-CG 3.86Å; F33-Y107 HydrophobicContact CZ-CD2 4.16Å; F33-I109 HydrophobicContact CB-CG2 4.07Å; F33-I109 HydrophobicContact CD1-CG1 4.04Å; F33-I109 HydrophobicContact CD1-CG2 4.29Å; F33-I109 HydrophobicContact CD2-CD1 3.57Å; F33-I109 HydrophobicContact CD2-CG1 3.85Å; F33-I109 HydrophobicContact CD2-CG2 4.49Å; F33-I109 HydrophobicContact CE1-CG1 3.92Å; F33-I109 HydrophobicContact CE2-CD1 3.54Å; F33-I109 HydrophobicContact CE2-CG1 3.73Å; F33-I109 HydrophobicContact CG-CD1 4.15Å; F33-I109 HydrophobicContact CG-CG1 4Å; F33-I109 HydrophobicContact CG-CG2 4.04Å; F33-I109 HydrophobicContact CZ-CD1 4.1Å; F33-I109 HydrophobicContact CZ-CG1 3.76Å; F33-V112 HydrophobicContact CB-CG1 4.02Å; F33-P113 WeakPolarHBondContact O-CA 3.44Å; F33-K114 HydrophobicContact CB-CB 4.41Å; F33-K114 PolarHBondContact N-O 3.39Å; F33-K114 PolarHBondContact O-N 3.41Å; F33-V116 HydrophobicContact CE2-CG2 4.2Å |
| 34 | S | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 168.8 | -174.3 | -168.1 | 0 | 0 | 0 | 0 | 112.8 | Y32 C41 I70 S72 Y82 | Y32-S34 PolarHBondContact OH-OG 2.95Å; S34-C41 WeakPolarHBondContact OG-CB 3.5Å; S34-C41 PolarHBondContact OG-SG 2.99Å; S34-I70 PolarHBondContact N-O 3.15Å; S34-S72 PolarHBondContact O-N 3.27Å; S34-Y82 WeakPolarHBondContact OG-CE1 3.35Å; S34-Y82 PolarHBondContact OG-OH 2.87Å |
| 35 | A | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -152 | 148.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | W37 C38 C41 D73 | A35-W37 VanDerWaalsContact C-N 3.33Å; A35-W37 HydrophobicContact CB-CD2 4.12Å; A35-W37 HydrophobicContact CB-CG 4.2Å; A35-W37 HydrophobicContact CB-CZ2 3.96Å; A35-W37 PolarHBondContact O-N 2.92Å; A35-C38 HydrophobicContact CB-CB 4.43Å; A35-C38 WeakPolarHBondContact O-CB 3.42Å; A35-C38 PolarHBondContact O-N 2.93Å; A35-C41 VanDerWaalsContact O-CB 3.24Å; A35-C41 WeakPolarHBondContact O-CB 3Å; A35-D73 WeakPolarHBondContact CA-OD1 3.46Å; A35-D73 WeakPolarHBondContact CB-OD1 3.02Å | ||
| 36 | G | 96.4 | Very high | 97.1 | Very high | 10 Ų | 10 | 34.7 Ų | 34.7 | 10% | 0.103 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -27.4 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | C38 R42 D73 Y82 | G36-C38 PolarHBondContact O-N 3Å; G36-R42 VanDerWaalsContact O-CD 3.32Å; G36-R42 WeakPolarHBondContact O-CD 3.26Å; G36-R42 PolarHBondContact O-NH1 3.13Å; G36-D73 PolarHBondContact N-OD1 2.82Å; G36-Y82 VanDerWaalsContact N-CD1 3.28Å |
| 37 | W | 96.1 | Very high | 97.5 | Very high | 141 Ų | 141 | 32.2 Ų | 32.2 | 53% | 0.534 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -9.6 | 174.9 | 58.9 | -99.7 | 0 | 0 | 0 | 113.8 | A35 P39 S72 | A35-W37 VanDerWaalsContact C-N 3.33Å; A35-W37 HydrophobicContact CB-CD2 4.12Å; A35-W37 HydrophobicContact CB-CG 4.2Å; A35-W37 HydrophobicContact CB-CZ2 3.96Å; A35-W37 PolarHBondContact O-N 2.92Å; W37-P39 WeakPolarHBondContact O-CD 3.43Å; W37-S72 PolarHBondContact NE1-O 3.26Å |
| 38 | C | 96.1 | Very high | 97.7 | Very high | 10 Ų | 10 | 29.8 Ų | 29.8 | 7% | 0.068 | 16% | 0.155 | C | C | . | . | trans | -97.2 | 113.3 | -172.8 | -175.7 | 0 | 0 | 0 | 0 | 111.3 | A35 G36 P40 C41 R42 V112 | A35-C38 HydrophobicContact CB-CB 4.43Å; A35-C38 WeakPolarHBondContact O-CB 3.42Å; A35-C38 PolarHBondContact O-N 2.93Å; G36-C38 PolarHBondContact O-N 3Å; C38-P40 VanDerWaalsContact SG-CD 3.53Å; C38-P40 VanDerWaalsContact SG-CG 3.54Å; C38-C41 HydrophobicContact CB-CB 3.86Å; C38-C41 VanDerWaalsContact CB-SG 3.59Å; C38-C41 WeakPolarHBondContact O-CA 3.39Å; C38-C41 WeakPolarHBondContact O-CB 3.38Å; C38-C41 PolarHBondContact O-N 3.47Å; C38-C41 VanDerWaalsContact SG-SG 3.66Å; C38-R42 PolarHBondContact O-N 2.89Å; C38-R42 VanDerWaalsContact O-N 3.16Å; C38-V112 HydrophobicContact CB-CG2 4.2Å | ||
| 39 | P | 97 | Very high | 97.8 | Very high | 88 Ų | 88 | 30.6 Ų | 30.6 | 57% | 0.571 | 16% | 0.16 | S | C | * | . | H | α-helix | trans | -54.5 | -49.3 | -178 | -25.7 | 34.1 | 0 | 0 | 0 | 114.9 | W37 C41 R42 D43 | W37-P39 WeakPolarHBondContact O-CD 3.43Å; P39-C41 PolarHBondContact O-N 3.28Å; P39-C41 VanDerWaalsContact O-N 3.16Å; P39-R42 PolarHBondContact O-N 3.33Å; P39-R42 VanDerWaalsContact O-N 3.09Å; P39-D43 PolarHBondContact O-N 2.95Å |
| 40 | P | 97.2 | Very high | 97.8 | Very high | 46 Ų | 46 | 35.3 Ų | 35.3 | 30% | 0.299 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -66.1 | -20.2 | 179 | 26.4 | -35.6 | 0 | 0 | 0 | 113.5 | C38 F44 P113 | C38-P40 VanDerWaalsContact SG-CD 3.53Å; C38-P40 VanDerWaalsContact SG-CG 3.54Å; P40-F44 WeakPolarHBondContact O-CB 3.45Å; P40-F44 PolarHBondContact O-N 3.46Å; P40-P113 HydrophobicContact CB-CG 4.5Å; P40-P113 WeakPolarHBondContact O-CG 3.25Å |
| 41 | C | 97.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.2 | -51.3 | 170.3 | -73.7 | 0 | 0 | 0 | 0 | 110.4 | S34 A35 C38 P39 D43 F44 T45 P113 | S34-C41 WeakPolarHBondContact OG-CB 3.5Å; S34-C41 PolarHBondContact OG-SG 2.99Å; A35-C41 VanDerWaalsContact O-CB 3.24Å; A35-C41 WeakPolarHBondContact O-CB 3Å; C38-C41 HydrophobicContact CB-CB 3.86Å; C38-C41 VanDerWaalsContact CB-SG 3.59Å; C38-C41 WeakPolarHBondContact O-CA 3.39Å; C38-C41 WeakPolarHBondContact O-CB 3.38Å; C38-C41 PolarHBondContact O-N 3.47Å; C38-C41 VanDerWaalsContact SG-SG 3.66Å; P39-C41 PolarHBondContact O-N 3.28Å; P39-C41 VanDerWaalsContact O-N 3.16Å; C41-D43 PolarHBondContact O-N 3.43Å; C41-F44 PolarHBondContact O-N 2.56Å; C41-T45 PolarHBondContact O-N 3.11Å; C41-T45 PolarHBondContact O-OG1 3.15Å; C41-P113 HydrophobicContact CB-CB 4.38Å; C41-P113 VanDerWaalsContact SG-CB 3.59Å; C41-P113 VanDerWaalsContact SG-CD 3.54Å; C41-P113 VanDerWaalsContact SG-N 3.42Å |
| 42 | R | 97.6 | Very high | 97.8 | Very high | 122 Ų | 122 | 36.1 Ų | 36.1 | 46% | 0.46 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -58.5 | -32.1 | 176.9 | -59.2 | 178.3 | 72.5 | 84.1 | 3.6 | 112.4 | G36 C38 P39 P46 Y82 M86 | G36-R42 VanDerWaalsContact O-CD 3.32Å; G36-R42 WeakPolarHBondContact O-CD 3.26Å; G36-R42 PolarHBondContact O-NH1 3.13Å; C38-R42 PolarHBondContact O-N 2.89Å; C38-R42 VanDerWaalsContact O-N 3.16Å; P39-R42 PolarHBondContact O-N 3.33Å; P39-R42 VanDerWaalsContact O-N 3.09Å; R42-P46 WeakPolarHBondContact O-CD 3.46Å; R42-Y82 HydrophobicContact CG-CE2 4.43Å; R42-M86 HydrophobicContact CB-CE 4.14Å; R42-M86 HydrophobicContact CB-SD 4.22Å; R42-M86 HydrophobicContact CG-SD 4.09Å; R42-M86 WeakPolarHBondContact O-CE 3.42Å |
| 43 | D | 98.1 | Very high | 97.8 | Very high | 104 Ų | 104 | 37.8 Ų | 37.8 | 56% | 0.556 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -73.7 | -26.5 | 174.8 | -67.3 | -14.7 | 0 | 0 | 0 | 113.8 | P39 C41 | P39-D43 PolarHBondContact O-N 2.95Å; C41-D43 PolarHBondContact O-N 3.43Å |
| 44 | F | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -97.6 | -32.1 | -175.2 | 178.7 | -115.9 | 0 | 0 | 0 | 112.9 | Y32 P40 C41 V47 L48 P113 L115 R130 I133 R134 | Y32-F44 AromaticContact CE2-CD1 3.82Å; Y32-F44 HydrophobicContact CE2-CD1 3.82Å; Y32-F44 AromaticContact CE2-CE1 3.95Å; Y32-F44 HydrophobicContact CE2-CE1 3.95Å; P40-F44 WeakPolarHBondContact O-CB 3.45Å; P40-F44 PolarHBondContact O-N 3.46Å; C41-F44 PolarHBondContact O-N 2.56Å; F44-V47 HydrophobicContact CD2-CB 4.26Å; F44-V47 HydrophobicContact CE2-CB 4.49Å; F44-V47 HydrophobicContact CE2-CG1 4.42Å; F44-V47 WeakPolarHBondContact O-CB 3.34Å; F44-V47 PolarHBondContact O-N 3.17Å; F44-V47 VanDerWaalsContact O-N 3.1Å; F44-L48 HydrophobicContact CE1-CB 4.2Å; F44-L48 HydrophobicContact CE1-CD2 4.17Å; F44-L48 HydrophobicContact CZ-CB 4.19Å; F44-L48 HydrophobicContact CZ-CD1 4.32Å; F44-L48 PolarHBondContact O-N 3.29Å; F44-P113 HydrophobicContact CB-CG 4.1Å; F44-P113 HydrophobicContact CD1-CB 4.13Å; F44-P113 HydrophobicContact CD1-CG 4.38Å; F44-L115 HydrophobicContact CE1-CB 4.43Å; F44-L115 HydrophobicContact CZ-CD2 4.36Å; F44-R130 HydrophobicContact CD1-CB 4.49Å; F44-R130 HydrophobicContact CD1-CG 4.03Å; F44-R130 HydrophobicContact CD2-CG 3.8Å; F44-R130 HydrophobicContact CE1-CB 3.95Å; F44-R130 HydrophobicContact CE1-CG 3.93Å; F44-R130 HydrophobicContact CE2-CB 4.2Å; F44-R130 HydrophobicContact CE2-CG 3.71Å; F44-R130 HydrophobicContact CG-CG 3.97Å; F44-R130 HydrophobicContact CZ-CB 3.8Å; F44-R130 HydrophobicContact CZ-CG 3.78Å; F44-I133 HydrophobicContact CE2-CG2 4.43Å; F44-I133 HydrophobicContact CZ-CD1 4.28Å; F44-R134 HydrophobicContact CD2-CG 4.48Å; F44-R134 HydrophobicContact CE2-CG 4.44Å |
| 45 | T | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56 | -45.4 | -178.4 | -58.9 | 0 | 0 | 0 | 0 | 113 | Y32 C41 V47 L48 C49 Y82 M86 W90 | Y32-T45 HydrophobicContact CE1-CG2 4.48Å; Y32-T45 PolarHBondContact OH-OG1 3.45Å; C41-T45 PolarHBondContact O-N 3.11Å; C41-T45 PolarHBondContact O-OG1 3.15Å; T45-V47 VanDerWaalsContact C-N 3.31Å; T45-V47 PolarHBondContact O-N 3.24Å; T45-L48 CarbonylContact O-C 3.47Å; T45-L48 WeakPolarHBondContact O-CA 3.47Å; T45-L48 WeakPolarHBondContact O-CB 3.43Å; T45-L48 PolarHBondContact O-N 3.26Å; T45-C49 PolarHBondContact O-N 3.16Å; T45-C49 PolarHBondContact O-SG 3.03Å; T45-Y82 PolarHBondContact OG1-OH 3.19Å; T45-M86 HydrophobicContact CG2-CB 4.11Å; T45-M86 VanDerWaalsContact CG2-O 3.22Å; T45-M86 WeakPolarHBondContact CG2-O 3.43Å; T45-W90 HydrophobicContact CG2-CZ2 4.45Å |
| 46 | P | 98.2 | Very high | 97.4 | Very high | 54 Ų | 54 | 44.2 Ų | 44.2 | 35% | 0.351 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.2 | -41.2 | 176.2 | -24.7 | 35 | 0 | 0 | 0 | 112.8 | R42 L48 C49 D50 M86 | R42-P46 WeakPolarHBondContact O-CD 3.46Å; P46-L48 VanDerWaalsContact C-N 3.26Å; P46-L48 PolarHBondContact O-N 3.39Å; P46-C49 WeakPolarHBondContact O-CB 3.5Å; P46-C49 PolarHBondContact O-N 3.25Å; P46-C49 VanDerWaalsContact O-N 3.13Å; P46-D50 PolarHBondContact O-N 2.97Å; P46-M86 HydrophobicContact CG-CE 4.04Å |
| 47 | V | 98.4 | Very high | 97.3 | Very high | 51 Ų | 51 | 48.4 Ų | 48.4 | 31% | 0.309 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.6 | -35.3 | 176 | -179 | 0 | 0 | 0 | 0 | 111.6 | F44 T45 F51 I133 | F44-V47 HydrophobicContact CD2-CB 4.26Å; F44-V47 HydrophobicContact CE2-CB 4.49Å; F44-V47 HydrophobicContact CE2-CG1 4.42Å; F44-V47 WeakPolarHBondContact O-CB 3.34Å; F44-V47 PolarHBondContact O-N 3.17Å; F44-V47 VanDerWaalsContact O-N 3.1Å; T45-V47 VanDerWaalsContact C-N 3.31Å; T45-V47 PolarHBondContact O-N 3.24Å; V47-F51 WeakPolarHBondContact O-CB 3.4Å; V47-F51 PolarHBondContact O-N 3.14Å; V47-I133 HydrophobicContact CG1-CG2 4.05Å |
| 48 | L | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -73.3 | -35.4 | 175.9 | -173.8 | 61 | 0 | 0 | 0 | 111.8 | Y32 F44 T45 P46 F51 Y52 I67 W90 L115 I133 | Y32-L48 HydrophobicContact CD1-CD2 3.7Å; Y32-L48 HydrophobicContact CD2-CD2 4.07Å; Y32-L48 HydrophobicContact CE1-CD2 3.89Å; Y32-L48 HydrophobicContact CE2-CD2 4.27Å; Y32-L48 HydrophobicContact CG-CD2 3.79Å; F44-L48 HydrophobicContact CE1-CB 4.2Å; F44-L48 HydrophobicContact CE1-CD2 4.17Å; F44-L48 HydrophobicContact CZ-CB 4.19Å; F44-L48 HydrophobicContact CZ-CD1 4.32Å; F44-L48 PolarHBondContact O-N 3.29Å; T45-L48 CarbonylContact O-C 3.47Å; T45-L48 WeakPolarHBondContact O-CA 3.47Å; T45-L48 WeakPolarHBondContact O-CB 3.43Å; T45-L48 PolarHBondContact O-N 3.26Å; P46-L48 VanDerWaalsContact C-N 3.26Å; P46-L48 PolarHBondContact O-N 3.39Å; L48-F51 HydrophobicContact CD1-CD1 4.43Å; L48-Y52 WeakPolarHBondContact O-CB 3.31Å; L48-Y52 PolarHBondContact O-N 2.86Å; L48-I67 HydrophobicContact CD1-CD1 3.7Å; L48-I67 HydrophobicContact CD2-CD1 3.99Å; L48-I67 HydrophobicContact CG-CD1 3.75Å; L48-W90 HydrophobicContact CB-CH2 4.08Å; L48-W90 HydrophobicContact CB-CZ3 4.5Å; L48-W90 HydrophobicContact CD2-CH2 3.88Å; L48-W90 HydrophobicContact CD2-CZ2 4.32Å; L48-W90 HydrophobicContact CD2-CZ3 4.34Å; L48-W90 HydrophobicContact CG-CH2 3.71Å; L48-W90 HydrophobicContact CG-CZ3 3.87Å; L48-L115 HydrophobicContact CD1-CD2 3.85Å; L48-I133 HydrophobicContact CD1-CD1 3.54Å |
| 49 | C | 98.3 | Very high | 97 | Very high | 17 Ų | 17 | 49.7 Ų | 49.7 | 12% | 0.115 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.8 | -53.3 | 173.2 | -62.5 | 0 | 0 | 0 | 0 | 110.5 | T45 P46 F51 Y52 T53 M86 G88 W90 | T45-C49 PolarHBondContact O-N 3.16Å; T45-C49 PolarHBondContact O-SG 3.03Å; P46-C49 WeakPolarHBondContact O-CB 3.5Å; P46-C49 PolarHBondContact O-N 3.25Å; P46-C49 VanDerWaalsContact O-N 3.13Å; C49-F51 VanDerWaalsContact C-N 3.28Å; C49-F51 PolarHBondContact O-N 2.86Å; C49-Y52 PolarHBondContact O-N 2.78Å; C49-T53 PolarHBondContact O-N 2.97Å; C49-T53 PolarHBondContact O-OG1 2.94Å; C49-M86 PolarHBondContact SG-O 2.87Å; C49-G88 PolarHBondContact SG-N 3.13Å; C49-W90 VanDerWaalsContact SG-CH2 3.57Å |
| 50 | D | 98.1 | Very high | 96.7 | Very high | 98 Ų | 98 | 54.9 Ų | 54.9 | 52% | 0.524 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -55.3 | -46.3 | 178.6 | -61.1 | -20.3 | 0 | 0 | 0 | 110.8 | P46 Y52 T53 E54 | P46-D50 PolarHBondContact O-N 2.97Å; D50-Y52 VanDerWaalsContact C-N 3.34Å; D50-Y52 PolarHBondContact O-N 2.97Å; D50-T53 PolarHBondContact O-N 2.83Å; D50-E54 WeakPolarHBondContact O-CB 3.39Å; D50-E54 WeakPolarHBondContact O-CG 3.4Å; D50-E54 PolarHBondContact O-N 3.39Å |
| 51 | F | 98.3 | Very high | 96.3 | Very high | 7 Ų | 7 | 57.3 Ų | 57.3 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.5 | -39.8 | 176.5 | 178.7 | -91.2 | 0 | 0 | 0 | 113.2 | V47 L48 C49 L55 F65 I133 L138 F141 W144 | V47-F51 WeakPolarHBondContact O-CB 3.4Å; V47-F51 PolarHBondContact O-N 3.14Å; L48-F51 HydrophobicContact CD1-CD1 4.43Å; C49-F51 VanDerWaalsContact C-N 3.28Å; C49-F51 PolarHBondContact O-N 2.86Å; F51-L55 HydrophobicContact CD1-CD1 3.95Å; F51-L55 HydrophobicContact CE1-CD1 3.31Å; F51-L55 HydrophobicContact CE1-CG 4.41Å; F51-L55 HydrophobicContact CE2-CD1 4.02Å; F51-L55 HydrophobicContact CZ-CD1 3.36Å; F51-L55 HydrophobicContact CZ-CG 4.42Å; F51-L55 WeakPolarHBondContact O-CB 3.39Å; F51-L55 WeakPolarHBondContact O-CG 3.44Å; F51-L55 PolarHBondContact O-N 3.35Å; F51-F65 HydrophobicContact CD1-CE1 4.1Å; F51-F65 HydrophobicContact CE1-CD1 4.25Å; F51-F65 AromaticContact CE1-CE1 3.72Å; F51-F65 HydrophobicContact CE1-CE1 3.72Å; F51-F65 HydrophobicContact CE1-CZ 4.19Å; F51-I133 HydrophobicContact CB-CG2 4.12Å; F51-I133 HydrophobicContact CD1-CD1 3.84Å; F51-I133 HydrophobicContact CD1-CG1 4.34Å; F51-I133 HydrophobicContact CD2-CD1 4.39Å; F51-I133 HydrophobicContact CD2-CG1 4.06Å; F51-I133 HydrophobicContact CD2-CG2 3.91Å; F51-I133 HydrophobicContact CE1-CD1 3.94Å; F51-I133 HydrophobicContact CE1-CG1 4.24Å; F51-I133 HydrophobicContact CE2-CD1 4.47Å; F51-I133 HydrophobicContact CE2-CG1 3.95Å; F51-I133 HydrophobicContact CG-CD1 4.06Å; F51-I133 HydrophobicContact CG-CG1 4.24Å; F51-I133 HydrophobicContact CG-CG2 4.07Å; F51-I133 HydrophobicContact CZ-CD1 4.26Å; F51-I133 HydrophobicContact CZ-CG1 4.04Å; F51-L138 HydrophobicContact CD2-CD2 3.86Å; F51-L138 HydrophobicContact CE2-CD2 4.14Å; F51-F141 HydrophobicContact CZ-CB 4.27Å; F51-W144 HydrophobicContact CE1-CH2 4.17Å; F51-W144 AromaticContact CE1-CZ3 3.81Å; F51-W144 HydrophobicContact CE1-CZ3 3.81Å; F51-W144 AromaticContact CZ-CH2 3.8Å; F51-W144 HydrophobicContact CZ-CH2 3.8Å; F51-W144 AromaticContact CZ-CZ3 3.59Å; F51-W144 HydrophobicContact CZ-CZ3 3.59Å |
| 52 | Y | 98.2 | Very high | 96.1 | Very high | 10 Ų | 10 | 59.6 Ų | 59.6 | 4% | 0.039 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -72.6 | -46.5 | 179.7 | -179.7 | -94.3 | 0 | 0 | 0 | 111.5 | L48 C49 D50 E54 L55 V56 E57 F65 E66 I67 D89 W90 | L48-Y52 WeakPolarHBondContact O-CB 3.31Å; L48-Y52 PolarHBondContact O-N 2.86Å; C49-Y52 PolarHBondContact O-N 2.78Å; D50-Y52 VanDerWaalsContact C-N 3.34Å; D50-Y52 PolarHBondContact O-N 2.97Å; Y52-E54 PolarHBondContact O-N 3.2Å; Y52-L55 PolarHBondContact O-N 3.29Å; Y52-L55 VanDerWaalsContact O-N 3.15Å; Y52-V56 HydrophobicContact CD1-CB 4.47Å; Y52-V56 HydrophobicContact CD2-CB 4.37Å; Y52-V56 HydrophobicContact CD2-CG2 3.85Å; Y52-V56 HydrophobicContact CE1-CB 4.17Å; Y52-V56 HydrophobicContact CE1-CG1 4.34Å; Y52-V56 HydrophobicContact CE2-CB 4.05Å; Y52-V56 HydrophobicContact CE2-CG1 4.27Å; Y52-V56 HydrophobicContact CE2-CG2 3.65Å; Y52-V56 HydrophobicContact CG-CG2 4.43Å; Y52-V56 WeakPolarHBondContact O-CB 3.39Å; Y52-V56 PolarHBondContact O-N 3.02Å; Y52-E57 HydrophobicContact CE1-CG 4.39Å; Y52-F65 HydrophobicContact CD2-CD1 4.07Å; Y52-F65 HydrophobicContact CD2-CE1 4.22Å; Y52-E66 PolarHBondContact OH-OE1 3.33Å; Y52-I67 HydrophobicContact CD2-CD1 3.78Å; Y52-I67 HydrophobicContact CD2-CG1 4.25Å; Y52-I67 HydrophobicContact CG-CD1 4.31Å; Y52-D89 WeakPolarHBondContact CE1-O 3.32Å; Y52-D89 PolarHBondContact OH-O 3.16Å; Y52-W90 HydrophobicContact CD1-CE3 4.04Å; Y52-W90 AromaticContact CD2-CE3 4Å; Y52-W90 HydrophobicContact CD2-CE3 4Å; Y52-W90 HydrophobicContact CE2-CB 4.18Å; Y52-W90 AromaticContact CG-CE3 3.7Å; Y52-W90 HydrophobicContact CG-CE3 3.7Å; Y52-W90 HydrophobicContact CG-CZ3 4.14Å |
| 53 | T | 97.3 | Very high | 96 | Very high | 36 Ų | 36 | 54.4 Ų | 54.4 | 22% | 0.221 | 30% | 0.298 | C | S | . | . | I | π-helix | trans | -56.9 | -49.7 | 176.9 | -69.5 | 0 | 0 | 0 | 0 | 110.7 | C49 D50 L55 E57 E58 | C49-T53 PolarHBondContact O-N 2.97Å; C49-T53 PolarHBondContact O-OG1 2.94Å; D50-T53 PolarHBondContact O-N 2.83Å; T53-L55 VanDerWaalsContact C-N 3.28Å; T53-L55 PolarHBondContact O-N 2.86Å; T53-E57 WeakPolarHBondContact CB-OE2 3.36Å; T53-E57 HydrophobicContact CG2-CB 4.3Å; T53-E57 WeakPolarHBondContact CG2-OE2 3.46Å; T53-E57 WeakPolarHBondContact O-CA 3.47Å; T53-E57 WeakPolarHBondContact O-CB 3.28Å; T53-E57 PolarHBondContact O-N 3.13Å; T53-E57 PolarHBondContact OG1-OE2 3Å; T53-E58 HydrophobicContact CG2-CG 3.83Å; T53-E58 PolarHBondContact O-N 3.33Å |
| 54 | E | 96.8 | Very high | 95.8 | Very high | 93 Ų | 93 | 51.7 Ų | 51.7 | 44% | 0.435 | 28% | 0.282 | S | S | . | . | I | π-helix | trans | -62 | -33.6 | 178.3 | -74.2 | -178.8 | -130.5 | 0 | 0 | 112.9 | D50 Y52 L138 | D50-E54 WeakPolarHBondContact O-CB 3.39Å; D50-E54 WeakPolarHBondContact O-CG 3.4Å; D50-E54 PolarHBondContact O-N 3.39Å; Y52-E54 PolarHBondContact O-N 3.2Å; E54-L138 HydrophobicContact CB-CD1 4.25Å; E54-L138 HydrophobicContact CB-CD2 3.9Å; E54-L138 VanDerWaalsContact OE2-CD1 3.26Å; E54-L138 WeakPolarHBondContact OE2-CD1 3.49Å |
| 55 | L | 95.4 | Very high | 95.7 | Very high | 16 Ų | 16 | 51.7 Ų | 51.7 | 8% | 0.084 | 28% | 0.282 | C | S | . | . | I | π-helix | trans | -84.5 | -41.3 | -179.6 | -77.8 | -174.5 | 0 | 0 | 0 | 113.8 | F51 Y52 T53 S59 A63 F65 L138 F141 | F51-L55 HydrophobicContact CD1-CD1 3.95Å; F51-L55 HydrophobicContact CE1-CD1 3.31Å; F51-L55 HydrophobicContact CE1-CG 4.41Å; F51-L55 HydrophobicContact CE2-CD1 4.02Å; F51-L55 HydrophobicContact CZ-CD1 3.36Å; F51-L55 HydrophobicContact CZ-CG 4.42Å; F51-L55 WeakPolarHBondContact O-CB 3.39Å; F51-L55 WeakPolarHBondContact O-CG 3.44Å; F51-L55 PolarHBondContact O-N 3.35Å; Y52-L55 PolarHBondContact O-N 3.29Å; Y52-L55 VanDerWaalsContact O-N 3.15Å; T53-L55 VanDerWaalsContact C-N 3.28Å; T53-L55 PolarHBondContact O-N 2.86Å; L55-S59 WeakPolarHBondContact O-CB 3.36Å; L55-S59 PolarHBondContact O-OG 2.83Å; L55-A63 HydrophobicContact CB-CB 3.95Å; L55-A63 HydrophobicContact CD2-CB 4.4Å; L55-A63 WeakPolarHBondContact O-CB 3.34Å; L55-A63 PolarHBondContact O-N 3.21Å; L55-F65 HydrophobicContact CD1-CD1 4.18Å; L55-L138 HydrophobicContact CD2-CD2 3.86Å; L55-L138 HydrophobicContact CG-CD2 3.77Å; L55-F141 HydrophobicContact CD1-CB 3.96Å; L55-F141 HydrophobicContact CD1-CD1 4.04Å; L55-F141 HydrophobicContact CD1-CD2 3.83Å; L55-F141 HydrophobicContact CD1-CE2 4.4Å; L55-F141 HydrophobicContact CD1-CG 3.66Å; L55-F141 HydrophobicContact CD2-CB 4.33Å; L55-F141 HydrophobicContact CD2-CD1 3.83Å; L55-F141 HydrophobicContact CD2-CE1 4.46Å; L55-F141 HydrophobicContact CD2-CG 4.15Å |
| 56 | V | 95.3 | Very high | 95.7 | Very high | 26 Ų | 26 | 52.3 Ų | 52.3 | 16% | 0.158 | 29% | 0.285 | C | S | . | . | I | π-helix | trans | -108.9 | -38.1 | -165.2 | -178.3 | 0 | 0 | 0 | 0 | 111.4 | Y52 A62 F65 | Y52-V56 HydrophobicContact CD1-CB 4.47Å; Y52-V56 HydrophobicContact CD2-CB 4.37Å; Y52-V56 HydrophobicContact CD2-CG2 3.85Å; Y52-V56 HydrophobicContact CE1-CB 4.17Å; Y52-V56 HydrophobicContact CE1-CG1 4.34Å; Y52-V56 HydrophobicContact CE2-CB 4.05Å; Y52-V56 HydrophobicContact CE2-CG1 4.27Å; Y52-V56 HydrophobicContact CE2-CG2 3.65Å; Y52-V56 HydrophobicContact CG-CG2 4.43Å; Y52-V56 WeakPolarHBondContact O-CB 3.39Å; Y52-V56 PolarHBondContact O-N 3.02Å; V56-A62 VanDerWaalsContact O-CB 3.26Å; V56-A62 WeakPolarHBondContact O-CB 3.44Å; V56-F65 HydrophobicContact CG2-CB 4.1Å; V56-F65 HydrophobicContact CG2-CD1 4.36Å |
| 57 | E | 93.7 | Very high | 95.7 | Very high | 97 Ų | 97 | 49.7 Ų | 49.7 | 45% | 0.453 | 27% | 0.268 | S | S | . | . | I | π-helix | trans | -93.3 | -40 | -173 | -61.3 | 170 | -171.3 | 0 | 0 | 112.1 | Y52 T53 | Y52-E57 HydrophobicContact CE1-CG 4.39Å; T53-E57 WeakPolarHBondContact CB-OE2 3.36Å; T53-E57 HydrophobicContact CG2-CB 4.3Å; T53-E57 WeakPolarHBondContact CG2-OE2 3.46Å; T53-E57 WeakPolarHBondContact O-CA 3.47Å; T53-E57 WeakPolarHBondContact O-CB 3.28Å; T53-E57 PolarHBondContact O-N 3.13Å; T53-E57 PolarHBondContact OG1-OE2 3Å |
| 58 | E | 94.6 | Very high | 95.7 | Very high | 142 Ų | 142 | 47.3 Ų | 47.3 | 66% | 0.664 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -99.9 | -10.9 | -174.3 | -62.7 | -172.6 | 159.4 | 0 | 0 | 114.1 | T53 | T53-E58 HydrophobicContact CG2-CG 3.83Å; T53-E58 PolarHBondContact O-N 3.33Å |
| 59 | S | 91.7 | Very high | 95.7 | Very high | 37 Ų | 37 | 47.3 Ų | 47.3 | 26% | 0.259 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -89.7 | 144.6 | -179.6 | 86.7 | 0 | 0 | 0 | 0 | 112.8 | L55 P61 A62 A63 | L55-S59 WeakPolarHBondContact O-CB 3.36Å; L55-S59 PolarHBondContact O-OG 2.83Å; S59-P61 CarbonylContact O-C 3.57Å; S59-P61 PolarHBondContact OG-O 2.98Å; S59-A62 WeakPolarHBondContact O-CA 3.38Å; S59-A62 PolarHBondContact O-N 2.84Å; S59-A62 VanDerWaalsContact O-N 3.11Å; S59-A62 WeakPolarHBondContact OG-CA 3.12Å; S59-A63 PolarHBondContact OG-N 3.23Å |
| 60 | E | 90.5 | Very high | 95.7 | Very high | 196 Ų | 196 | 46.5 Ų | 46.5 | 92% | 0.916 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -125.2 | 115.3 | 176.5 | -78.4 | -178.9 | -178 | 0 | 0 | 111 | ||
| 61 | P | 90.1 | Very high | 95.7 | Very high | 97 Ų | 97 | 42.1 Ų | 42.1 | 63% | 0.63 | 23% | 0.225 | S | C | * | . | S | Bend | cis | -70 | 153.3 | -8.1 | 32.3 | -35.5 | 0 | 0 | 0 | 111.9 | S59 A63 | S59-P61 CarbonylContact O-C 3.57Å; S59-P61 PolarHBondContact OG-O 2.98Å; P61-A63 PolarHBondContact O-N 2.92Å |
| 62 | A | 93.2 | Very high | 95.7 | Very high | 49 Ų | 49 | 42.9 Ų | 42.9 | 41% | 0.405 | 23% | 0.231 | S | C | . | . | P | Polyproline II helix | trans | -49.4 | 136 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V56 S59 Q64 | V56-A62 VanDerWaalsContact O-CB 3.26Å; V56-A62 WeakPolarHBondContact O-CB 3.44Å; S59-A62 WeakPolarHBondContact O-CA 3.38Å; S59-A62 PolarHBondContact O-N 2.84Å; S59-A62 VanDerWaalsContact O-N 3.11Å; S59-A62 WeakPolarHBondContact OG-CA 3.12Å; A62-Q64 PolarHBondContact O-NE2 3.37Å |
| 63 | A | 93.8 | Very high | 95.6 | Very high | 13 Ų | 13 | 43 Ų | 43 | 11% | 0.107 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -62.2 | 146.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L55 S59 P61 F65 F141 | L55-A63 HydrophobicContact CB-CB 3.95Å; L55-A63 HydrophobicContact CD2-CB 4.4Å; L55-A63 WeakPolarHBondContact O-CB 3.34Å; L55-A63 PolarHBondContact O-N 3.21Å; S59-A63 PolarHBondContact OG-N 3.23Å; P61-A63 PolarHBondContact O-N 2.92Å; A63-F65 HydrophobicContact CB-CB 4.46Å; A63-F65 PolarHBondContact O-N 2.85Å; A63-F141 HydrophobicContact CB-CD1 4.46Å; A63-F141 HydrophobicContact CB-CE1 3.59Å; A63-F141 HydrophobicContact CB-CZ 3.89Å |
| 64 | Q | 94.9 | Very high | 95.6 | Very high | 46 Ų | 46 | 49.5 Ų | 49.5 | 22% | 0.215 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -76.7 | 62.1 | 173 | -66.7 | 76.7 | 45.9 | 0 | 0 | 110.7 | N26 K27 V28 A62 L145 I150 Q152 | N26-Q64 WeakPolarHBondContact O-CB 3.16Å; K27-Q64 WeakPolarHBondContact CA-O 3.15Å; V28-Q64 PolarHBondContact N-O 3.41Å; A62-Q64 PolarHBondContact O-NE2 3.37Å; Q64-L145 HydrophobicContact CB-CD2 4.41Å; Q64-I150 HydrophobicContact CB-CG2 4.17Å; Q64-I150 HydrophobicContact CG-CG2 4.2Å; Q64-Q152 VanDerWaalsContact OE1-NE2 3.09Å |
| 65 | F | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 142.1 | -178.9 | -173.2 | -127.6 | 0 | 0 | 0 | 110.5 | V28 F51 Y52 L55 V56 A63 I67 I117 F141 W144 | V28-F65 HydrophobicContact CB-CD2 4.06Å; V28-F65 HydrophobicContact CG1-CD2 4.04Å; V28-F65 HydrophobicContact CG1-CE2 4.27Å; V28-F65 WeakPolarHBondContact O-CA 3.34Å; V28-F65 VanDerWaalsContact O-CD2 3.28Å; V28-F65 WeakPolarHBondContact O-CD2 3.49Å; F51-F65 HydrophobicContact CD1-CE1 4.1Å; F51-F65 HydrophobicContact CE1-CD1 4.25Å; F51-F65 AromaticContact CE1-CE1 3.72Å; F51-F65 HydrophobicContact CE1-CE1 3.72Å; F51-F65 HydrophobicContact CE1-CZ 4.19Å; Y52-F65 HydrophobicContact CD2-CD1 4.07Å; Y52-F65 HydrophobicContact CD2-CE1 4.22Å; L55-F65 HydrophobicContact CD1-CD1 4.18Å; V56-F65 HydrophobicContact CG2-CB 4.1Å; V56-F65 HydrophobicContact CG2-CD1 4.36Å; A63-F65 HydrophobicContact CB-CB 4.46Å; A63-F65 PolarHBondContact O-N 2.85Å; F65-I67 HydrophobicContact CE1-CD1 3.68Å; F65-I67 HydrophobicContact CE1-CG1 3.65Å; F65-I67 HydrophobicContact CZ-CD1 4Å; F65-I67 HydrophobicContact CZ-CG1 3.62Å; F65-I117 HydrophobicContact CE2-CD1 4.43Å; F65-F141 HydrophobicContact CB-CE2 3.62Å; F65-F141 HydrophobicContact CB-CZ 3.81Å; F65-F141 AromaticContact CD2-CE2 3.95Å; F65-F141 HydrophobicContact CD2-CE2 3.95Å; F65-F141 HydrophobicContact CG-CD2 4.5Å; F65-F141 AromaticContact CG-CE2 3.91Å; F65-F141 HydrophobicContact CG-CE2 3.91Å; F65-W144 HydrophobicContact CE2-CE3 4.46Å; F65-W144 HydrophobicContact CE2-CZ3 4.22Å; F65-W144 HydrophobicContact CZ-CZ3 4.27Å |
| 66 | E | 97.2 | Very high | 95.7 | Very high | 13 Ų | 13 | 50.1 Ų | 50.1 | 6% | 0.061 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 151.4 | 170.8 | -170.5 | 55.7 | -94.8 | 0 | 0 | 110.2 | L24 K27 V28 V29 G30 Y52 W90 L91 | L24-E66 HydrophobicContact CD2-CB 3.64Å; L24-E66 HydrophobicContact CD2-CG 3.39Å; K27-E66 HydrophobicContact CD-CB 3.68Å; K27-E66 IonicContact NZ-OE2 3.53Å; K27-E66 PolarHBondContact NZ-OE2 2.84Å; V28-E66 PolarHBondContact O-N 3.3Å; V29-E66 CarbonylContact C-O 3.53Å; V29-E66 WeakPolarHBondContact CA-O 3.43Å; G30-E66 PolarHBondContact N-O 3.13Å; Y52-E66 PolarHBondContact OH-OE1 3.33Å; E66-W90 WeakPolarHBondContact OE1-CB 3.49Å; E66-L91 HydrophobicContact CG-CD1 4.01Å; E66-L91 HydrophobicContact CG-CG 4.28Å |
| 67 | I | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 138.1 | 174 | -68.7 | 165.1 | 0 | 0 | 0 | 109.7 | G30 L48 Y52 F65 W90 L91 | G30-I67 WeakPolarHBondContact O-CA 3.26Å; L48-I67 HydrophobicContact CD1-CD1 3.7Å; L48-I67 HydrophobicContact CD2-CD1 3.99Å; L48-I67 HydrophobicContact CG-CD1 3.75Å; Y52-I67 HydrophobicContact CD2-CD1 3.78Å; Y52-I67 HydrophobicContact CD2-CG1 4.25Å; Y52-I67 HydrophobicContact CG-CD1 4.31Å; F65-I67 HydrophobicContact CE1-CD1 3.68Å; F65-I67 HydrophobicContact CE1-CG1 3.65Å; F65-I67 HydrophobicContact CZ-CD1 4Å; F65-I67 HydrophobicContact CZ-CG1 3.62Å; I67-W90 HydrophobicContact CB-CB 3.74Å; I67-W90 HydrophobicContact CB-CD2 3.82Å; I67-W90 HydrophobicContact CB-CE3 4.03Å; I67-W90 HydrophobicContact CB-CG 3.7Å; I67-W90 HydrophobicContact CD1-CD2 4.03Å; I67-W90 HydrophobicContact CD1-CE3 3.39Å; I67-W90 HydrophobicContact CD1-CH2 4.42Å; I67-W90 HydrophobicContact CD1-CZ3 3.61Å; I67-W90 HydrophobicContact CG1-CE3 4.28Å; I67-W90 HydrophobicContact CG2-CB 4.3Å; I67-W90 HydrophobicContact CG2-CD2 3.73Å; I67-W90 HydrophobicContact CG2-CE3 4.23Å; I67-W90 HydrophobicContact CG2-CG 3.75Å; I67-L91 PolarHBondContact O-N 2.78Å |
| 68 | V | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 111.6 | 169.5 | -173.5 | 0 | 0 | 0 | 0 | 109 | F5 L10 L24 V29 G30 Y32 I70 L91 | F5-V68 HydrophobicContact CD2-CG2 4.41Å; F5-V68 HydrophobicContact CE1-CG1 4.01Å; F5-V68 HydrophobicContact CE2-CB 3.96Å; F5-V68 HydrophobicContact CE2-CG1 4.02Å; F5-V68 HydrophobicContact CE2-CG2 3.8Å; F5-V68 HydrophobicContact CZ-CB 3.88Å; F5-V68 HydrophobicContact CZ-CG1 3.56Å; F5-V68 HydrophobicContact CZ-CG2 4.21Å; L10-V68 HydrophobicContact CD1-CG1 4.09Å; L10-V68 HydrophobicContact CD1-CG2 3.79Å; L10-V68 HydrophobicContact CD2-CG1 3.62Å; L10-V68 HydrophobicContact CG-CG1 4.49Å; L24-V68 HydrophobicContact CD1-CG2 4.14Å; L24-V68 HydrophobicContact CD2-CG2 4Å; V29-V68 HydrophobicContact CG1-CG2 3.99Å; G30-V68 PolarHBondContact O-N 2.99Å; Y32-V68 PolarHBondContact N-O 2.8Å; V68-I70 HydrophobicContact CG1-CD1 4.09Å; V68-L91 CarbonylContact C-O 3.58Å; V68-L91 WeakPolarHBondContact CA-O 3.48Å; V68-L91 HydrophobicContact CG2-CB 4.39Å |
| 69 | F | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 125.8 | 176.8 | 169.8 | -133.5 | 0 | 0 | 0 | 111.5 | Y32 S71 M79 Y82 Y83 H87 L91 A92 L93 | Y32-F69 HydrophobicContact CD1-CD2 4.31Å; Y32-F69 WeakPolarHBondContact O-CD2 3.4Å; F69-S71 VanDerWaalsContact CZ-CA 3.47Å; F69-S71 VanDerWaalsContact CZ-CB 3.46Å; F69-M79 HydrophobicContact CD1-CE 4.14Å; F69-M79 HydrophobicContact CE1-CE 4.08Å; F69-M79 HydrophobicContact CE1-CG 3.82Å; F69-M79 HydrophobicContact CZ-CG 4.46Å; F69-Y82 HydrophobicContact CE2-CE1 4.37Å; F69-Y82 HydrophobicContact CZ-CD1 4Å; F69-Y82 HydrophobicContact CZ-CE1 4.16Å; F69-Y83 HydrophobicContact CB-CD2 4.47Å; F69-Y83 HydrophobicContact CB-CE2 4.14Å; F69-Y83 AromaticContact CD1-CD2 3.45Å; F69-Y83 HydrophobicContact CD1-CD2 3.45Å; F69-Y83 VanDerWaalsContact CD1-CD2 3.45Å; F69-Y83 AromaticContact CD1-CE2 3.9Å; F69-Y83 HydrophobicContact CD1-CE2 3.9Å; F69-Y83 HydrophobicContact CD1-CG 4.25Å; F69-Y83 HydrophobicContact CE1-CD2 4.02Å; F69-Y83 HydrophobicContact CE1-CG 4.5Å; F69-Y83 HydrophobicContact CG-CD2 4.27Å; F69-Y83 HydrophobicContact CG-CE2 4.43Å; F69-H87 AromaticContact CD1-CE1 3.92Å; F69-H87 AromaticContact CD2-CE1 3.52Å; F69-H87 AromaticContact CE2-CE1 3.77Å; F69-H87 AromaticContact CG-CE1 3.61Å; F69-H87 AromaticContact CG-ND1 3.9Å; F69-L91 PolarHBondContact N-O 3.06Å; F69-A92 HydrophobicContact CB-CB 4.04Å; F69-A92 HydrophobicContact CD1-CB 3.97Å; F69-A92 HydrophobicContact CG-CB 4.47Å; F69-A92 WeakPolarHBondContact O-CA 3.47Å; F69-L93 PolarHBondContact O-N 2.72Å |
| 70 | I | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 103.3 | 172.7 | -48.8 | -57.6 | 0 | 0 | 0 | 108.6 | F5 I31 Y32 F33 S34 V68 L93 K100 L103 | F5-I70 HydrophobicContact CE1-CD1 4.17Å; F5-I70 HydrophobicContact CZ-CD1 4.23Å; I31-I70 HydrophobicContact CG2-CD1 4.34Å; I31-I70 HydrophobicContact CG2-CG1 3.56Å; Y32-I70 PolarHBondContact O-N 3.32Å; F33-I70 HydrophobicContact CD1-CB 3.69Å; F33-I70 HydrophobicContact CD1-CG1 4.25Å; F33-I70 HydrophobicContact CD1-CG2 3.79Å; F33-I70 HydrophobicContact CE1-CB 3.86Å; F33-I70 HydrophobicContact CE1-CG1 3.99Å; F33-I70 HydrophobicContact CE1-CG2 3.78Å; F33-I70 HydrophobicContact CG-CB 4.38Å; F33-I70 HydrophobicContact CZ-CG1 4.36Å; S34-I70 PolarHBondContact N-O 3.15Å; V68-I70 HydrophobicContact CG1-CD1 4.09Å; I70-L93 HydrophobicContact CD1-CB 3.57Å; I70-L93 HydrophobicContact CD1-CD2 3.99Å; I70-L93 HydrophobicContact CD1-CG 4.39Å; I70-K100 HydrophobicContact CG2-CB 3.65Å; I70-L103 HydrophobicContact CD1-CD1 3.56Å; I70-L103 HydrophobicContact CG1-CD1 4Å |
| 71 | S | 98.2 | Very high | 96.6 | Very high | 7 Ų | 7 | 44.5 Ų | 44.5 | 5% | 0.049 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 140.8 | -177.4 | 178.1 | 0 | 0 | 0 | 0 | 113 | F69 D73 | F69-S71 VanDerWaalsContact CZ-CA 3.47Å; F69-S71 VanDerWaalsContact CZ-CB 3.46Å; S71-D73 VanDerWaalsContact OG-CB 3.24Å; S71-D73 WeakPolarHBondContact OG-CB 3.29Å; S71-D73 PolarHBondContact OG-N 2.88Å; S71-D73 PolarHBondContact OG-OD2 2.94Å |
| 72 | S | 97.4 | Very high | 96.9 | Very high | 23 Ų | 23 | 40.2 Ų | 40.2 | 16% | 0.161 | 22% | 0.216 | C | C | . | . | trans | -115.4 | 18.6 | 164.8 | -54.9 | 0 | 0 | 0 | 0 | 111.7 | S34 W37 K104 | S34-S72 PolarHBondContact O-N 3.27Å; W37-S72 PolarHBondContact NE1-O 3.26Å; S72-K104 WeakPolarHBondContact OG-CE 3.46Å; S72-K104 PolarHBondContact OG-NZ 3.02Å | ||
| 73 | D | 97.9 | Very high | 97.1 | Very high | 11 Ų | 11 | 38.3 Ų | 38.3 | 6% | 0.059 | 20% | 0.198 | C | C | . | . | trans | -71.4 | 152.3 | 174.3 | -62 | -67.8 | 0 | 0 | 0 | 111.2 | A35 G36 S71 D78 M79 W95 | A35-D73 WeakPolarHBondContact CA-OD1 3.46Å; A35-D73 WeakPolarHBondContact CB-OD1 3.02Å; G36-D73 PolarHBondContact N-OD1 2.82Å; S71-D73 VanDerWaalsContact OG-CB 3.24Å; S71-D73 WeakPolarHBondContact OG-CB 3.29Å; S71-D73 PolarHBondContact OG-N 2.88Å; S71-D73 PolarHBondContact OG-OD2 2.94Å; D73-D78 HydrophobicContact CB-CB 3.77Å; D73-M79 HydrophobicContact CB-CB 4.19Å; D73-W95 PolarHBondContact O-NE1 2.88Å | ||
| 74 | K | 95.9 | Very high | 97.2 | Very high | 173 Ų | 173 | 42.1 Ų | 42.1 | 75% | 0.752 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -83.5 | -16.2 | -170.4 | -65.4 | 180 | -177.5 | 174 | 0 | 112.8 | W95 | K74-W95 WeakPolarHBondContact O-CZ2 3.22Š|
| 75 | S | 97.7 | Very high | 97.2 | Very high | 36 Ų | 36 | 45.7 Ų | 45.7 | 25% | 0.252 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -141.1 | 163.3 | 177.2 | 69.4 | 0 | 0 | 0 | 0 | 111 | D77 D78 M79 W95 | S75-D77 VanDerWaalsContact C-N 3.31Å; S75-D78 PolarHBondContact N-OD2 3.03Å; S75-D78 WeakPolarHBondContact OG-CB 3.45Å; S75-D78 PolarHBondContact OG-N 3.18Å; S75-D78 VanDerWaalsContact OG-N 3.08Å; S75-D78 PolarHBondContact OG-OD2 3.22Å; S75-M79 PolarHBondContact O-N 2.88Å; S75-W95 VanDerWaalsContact C-CE2 3.43Å; S75-W95 PolarHBondContact O-NE1 2.81Å |
| 76 | L | 96.4 | Very high | 97.2 | Very high | 86 Ų | 86 | 47.6 Ų | 47.6 | 45% | 0.45 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.7 | -43.5 | 171.4 | 173.4 | 62.5 | 0 | 0 | 0 | 110.7 | D78 M79 V80 W95 | L76-D78 PolarHBondContact O-N 2.88Å; L76-M79 WeakPolarHBondContact O-CB 3.35Å; L76-M79 PolarHBondContact O-N 3.1Å; L76-M79 VanDerWaalsContact O-N 3.13Å; L76-V80 HydrophobicContact CD1-CG2 3.8Å; L76-V80 HydrophobicContact CG-CG2 4.15Å; L76-V80 WeakPolarHBondContact O-CB 3.42Å; L76-V80 VanDerWaalsContact O-CG2 3.29Å; L76-V80 WeakPolarHBondContact O-CG2 3.42Å; L76-V80 PolarHBondContact O-N 2.95Å; L76-W95 HydrophobicContact CB-CB 4.39Å; L76-W95 HydrophobicContact CB-CD2 4.1Å; L76-W95 HydrophobicContact CB-CE3 4.07Å; L76-W95 HydrophobicContact CB-CG 4.24Å; L76-W95 HydrophobicContact CD1-CB 3.64Å; L76-W95 HydrophobicContact CD1-CG 4.35Å |
| 77 | D | 97.5 | Very high | 97.2 | Very high | 124 Ų | 124 | 47.6 Ų | 47.6 | 66% | 0.663 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -61.6 | -45 | -178.6 | -62.7 | -14.7 | 0 | 0 | 0 | 111.4 | S75 M79 V80 E81 | S75-D77 VanDerWaalsContact C-N 3.31Å; D77-M79 VanDerWaalsContact C-N 3.29Å; D77-M79 PolarHBondContact O-N 2.99Å; D77-V80 PolarHBondContact O-N 3.47Å; D77-E81 WeakPolarHBondContact O-CB 3.27Å; D77-E81 PolarHBondContact O-N 3.07Å |
| 78 | D | 97.5 | Very high | 97 | Very high | 67 Ų | 67 | 48.1 Ų | 48.1 | 36% | 0.358 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.2 | -41.3 | 174.7 | -66.1 | -41.5 | 0 | 0 | 0 | 111.6 | D73 S75 L76 Y82 | D73-D78 HydrophobicContact CB-CB 3.77Å; S75-D78 PolarHBondContact N-OD2 3.03Å; S75-D78 WeakPolarHBondContact OG-CB 3.45Å; S75-D78 PolarHBondContact OG-N 3.18Å; S75-D78 VanDerWaalsContact OG-N 3.08Å; S75-D78 PolarHBondContact OG-OD2 3.22Å; L76-D78 PolarHBondContact O-N 2.88Å; D78-Y82 VanDerWaalsContact O-CB 3.25Å; D78-Y82 WeakPolarHBondContact O-CB 3.43Å; D78-Y82 PolarHBondContact O-N 2.92Å; D78-Y82 VanDerWaalsContact O-N 3.1Å |
| 79 | M | 97.5 | Very high | 96.9 | Very high | 6 Ų | 6 | 52.7 Ų | 52.7 | 3% | 0.03 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.9 | -48.4 | 176.8 | 174.3 | -174.1 | 161.9 | 0 | 0 | 110.6 | F69 D73 S75 L76 D77 Y82 Y83 A92 L93 W95 | F69-M79 HydrophobicContact CD1-CE 4.14Å; F69-M79 HydrophobicContact CE1-CE 4.08Å; F69-M79 HydrophobicContact CE1-CG 3.82Å; F69-M79 HydrophobicContact CZ-CG 4.46Å; D73-M79 HydrophobicContact CB-CB 4.19Å; S75-M79 PolarHBondContact O-N 2.88Å; L76-M79 WeakPolarHBondContact O-CB 3.35Å; L76-M79 PolarHBondContact O-N 3.1Å; L76-M79 VanDerWaalsContact O-N 3.13Å; D77-M79 VanDerWaalsContact C-N 3.29Å; D77-M79 PolarHBondContact O-N 2.99Å; M79-Y82 PolarHBondContact O-N 3.3Å; M79-Y83 WeakPolarHBondContact O-CB 3.28Å; M79-Y83 PolarHBondContact O-N 3.44Å; M79-A92 HydrophobicContact CE-CB 3.76Å; M79-L93 WeakPolarHBondContact CE-O 3.44Å; M79-W95 HydrophobicContact SD-CB 3.52Å; M79-W95 VanDerWaalsContact SD-CB 3.52Å; M79-W95 HydrophobicContact SD-CG 4.17Å |
| 80 | V | 96.2 | Very high | 96.8 | Very high | 61 Ų | 61 | 52.8 Ų | 52.8 | 37% | 0.37 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.8 | -49.4 | -176.5 | 168.8 | 0 | 0 | 0 | 0 | 109.8 | L76 D77 Y82 Y83 H84 | L76-V80 HydrophobicContact CD1-CG2 3.8Å; L76-V80 HydrophobicContact CG-CG2 4.15Å; L76-V80 WeakPolarHBondContact O-CB 3.42Å; L76-V80 VanDerWaalsContact O-CG2 3.29Å; L76-V80 WeakPolarHBondContact O-CG2 3.42Å; L76-V80 PolarHBondContact O-N 2.95Å; D77-V80 PolarHBondContact O-N 3.47Å; V80-Y82 PolarHBondContact O-N 2.8Å; V80-Y83 PolarHBondContact O-N 3.17Å; V80-H84 WeakPolarHBondContact O-CB 3.43Å; V80-H84 PolarHBondContact O-CD2 3.19Å; V80-H84 VanDerWaalsContact O-CD2 3.23Å; V80-H84 PolarHBondContact O-N 3.02Å |
| 81 | E | 96.4 | Very high | 96.8 | Very high | 122 Ų | 122 | 53.3 Ų | 53.3 | 57% | 0.57 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -56.2 | -53.6 | 176.9 | -176.3 | -178 | 166.6 | 0 | 0 | 110.9 | D77 Y83 H84 D85 | D77-E81 WeakPolarHBondContact O-CB 3.27Å; D77-E81 PolarHBondContact O-N 3.07Å; E81-Y83 VanDerWaalsContact C-N 3.34Å; E81-Y83 PolarHBondContact O-N 3.21Å; E81-H84 PolarHBondContact O-N 2.7Å; E81-D85 VanDerWaalsContact O-CB 3.27Å; E81-D85 WeakPolarHBondContact O-CB 3.37Å; E81-D85 VanDerWaalsContact O-CG 3.29Å; E81-D85 PolarHBondContact O-N 2.92Å |
| 82 | Y | 97.4 | Very high | 96.8 | Very high | 7 Ų | 7 | 53 Ų | 53 | 3% | 0.027 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.7 | -40.9 | -179.4 | 177.2 | -127.5 | 0 | 0 | 0 | 113 | S34 G36 R42 T45 F69 D78 M79 V80 M86 H87 | S34-Y82 WeakPolarHBondContact OG-CE1 3.35Å; S34-Y82 PolarHBondContact OG-OH 2.87Å; G36-Y82 VanDerWaalsContact N-CD1 3.28Å; R42-Y82 HydrophobicContact CG-CE2 4.43Å; T45-Y82 PolarHBondContact OG1-OH 3.19Å; F69-Y82 HydrophobicContact CE2-CE1 4.37Å; F69-Y82 HydrophobicContact CZ-CD1 4Å; F69-Y82 HydrophobicContact CZ-CE1 4.16Å; D78-Y82 VanDerWaalsContact O-CB 3.25Å; D78-Y82 WeakPolarHBondContact O-CB 3.43Å; D78-Y82 PolarHBondContact O-N 2.92Å; D78-Y82 VanDerWaalsContact O-N 3.1Å; M79-Y82 PolarHBondContact O-N 3.3Å; V80-Y82 PolarHBondContact O-N 2.8Å; Y82-M86 HydrophobicContact CD2-CB 4.07Å; Y82-M86 HydrophobicContact CD2-CG 4.1Å; Y82-M86 HydrophobicContact CD2-SD 3.95Å; Y82-M86 HydrophobicContact CE2-CB 3.93Å; Y82-M86 HydrophobicContact CE2-CG 4.18Å; Y82-M86 HydrophobicContact CE2-SD 3.71Å; Y82-M86 PolarHBondContact O-N 3.17Å; Y82-H87 AromaticContact CD1-NE2 3.5Å; Y82-H87 AromaticContact CE1-CD2 3.89Å; Y82-H87 AromaticContact CE1-CE1 3.87Å; Y82-H87 AromaticContact CE1-NE2 2.93Å; Y82-H87 WeakPolarHBondContact CE1-NE2 3.5Å; Y82-H87 AromaticContact CE2-NE2 3.96Å; Y82-H87 AromaticContact CZ-CD2 3.93Å; Y82-H87 AromaticContact CZ-NE2 3.2Å; Y82-H87 PolarHBondContact O-CD2 3.29Å |
| 83 | Y | 96.9 | Very high | 96.8 | Very high | 9 Ų | 9 | 52 Ų | 52 | 4% | 0.035 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.8 | -52.5 | 178.4 | -172.3 | -120.2 | 0 | 0 | 0 | 110.3 | K13 F69 M79 V80 E81 H87 W90 L91 A92 | K13-Y83 HydrophobicContact CD-CD1 4.15Å; K13-Y83 HydrophobicContact CD-CE1 3.79Å; K13-Y83 PolarHBondContact NZ-O 2.95Å; F69-Y83 HydrophobicContact CB-CD2 4.47Å; F69-Y83 HydrophobicContact CB-CE2 4.14Å; F69-Y83 AromaticContact CD1-CD2 3.45Å; F69-Y83 HydrophobicContact CD1-CD2 3.45Å; F69-Y83 VanDerWaalsContact CD1-CD2 3.45Å; F69-Y83 AromaticContact CD1-CE2 3.9Å; F69-Y83 HydrophobicContact CD1-CE2 3.9Å; F69-Y83 HydrophobicContact CD1-CG 4.25Å; F69-Y83 HydrophobicContact CE1-CD2 4.02Å; F69-Y83 HydrophobicContact CE1-CG 4.5Å; F69-Y83 HydrophobicContact CG-CD2 4.27Å; F69-Y83 HydrophobicContact CG-CE2 4.43Å; M79-Y83 WeakPolarHBondContact O-CB 3.28Å; M79-Y83 PolarHBondContact O-N 3.44Å; V80-Y83 PolarHBondContact O-N 3.17Å; E81-Y83 VanDerWaalsContact C-N 3.34Å; E81-Y83 PolarHBondContact O-N 3.21Å; Y83-H87 HydrophobicContact CD2-CB 3.75Å; Y83-H87 AromaticContact CD2-CG 3.68Å; Y83-H87 AromaticContact CD2-ND1 3.67Å; Y83-H87 HydrophobicContact CE2-CB 4.05Å; Y83-H87 VanDerWaalsContact O-CB 3.28Å; Y83-H87 WeakPolarHBondContact O-CB 3.44Å; Y83-H87 PolarHBondContact O-N 3.35Å; Y83-W90 AromaticContact CE2-CD1 3.8Å; Y83-W90 AromaticContact CE2-NE1 3.68Å; Y83-W90 PolarHBondContact OH-O 3.03Å; Y83-L91 VanDerWaalsContact OH-C 3.24Å; Y83-A92 HydrophobicContact CD2-CB 4.43Å; Y83-A92 HydrophobicContact CE1-CB 4.26Å; Y83-A92 HydrophobicContact CE2-CB 3.86Å; Y83-A92 PolarHBondContact OH-N 3.09Å |
| 84 | H | 95 | Very high | 96.8 | Very high | 94 Ų | 94 | 52.2 Ų | 52.2 | 44% | 0.435 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.4 | -44.2 | -178.7 | -80.7 | -78.6 | 0 | 0 | 0 | 112.9 | K13 V80 E81 | K13-H84 PolarHBondContact O-CE1 3.18Å; V80-H84 WeakPolarHBondContact O-CB 3.43Å; V80-H84 PolarHBondContact O-CD2 3.19Å; V80-H84 VanDerWaalsContact O-CD2 3.23Å; V80-H84 PolarHBondContact O-N 3.02Å; E81-H84 PolarHBondContact O-N 2.7Å |
| 85 | D | 95 | Very high | 96.9 | Very high | 120 Ų | 120 | 47.7 Ų | 47.7 | 64% | 0.642 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -77.9 | -29.2 | -170.3 | -71 | -6.8 | 0 | 0 | 0 | 113.8 | E81 | E81-D85 VanDerWaalsContact O-CB 3.27Å; E81-D85 WeakPolarHBondContact O-CB 3.37Å; E81-D85 VanDerWaalsContact O-CG 3.29Å; E81-D85 PolarHBondContact O-N 2.92Å |
| 86 | M | 96.9 | Very high | 96.8 | Very high | 41 Ų | 41 | 50.3 Ų | 50.3 | 20% | 0.202 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -122.7 | -25.7 | -168.9 | -62.9 | -158.2 | 71.1 | 0 | 0 | 115.3 | R42 T45 P46 C49 Y82 | R42-M86 HydrophobicContact CB-CE 4.14Å; R42-M86 HydrophobicContact CB-SD 4.22Å; R42-M86 HydrophobicContact CG-SD 4.09Å; R42-M86 WeakPolarHBondContact O-CE 3.42Å; T45-M86 HydrophobicContact CG2-CB 4.11Å; T45-M86 VanDerWaalsContact CG2-O 3.22Å; T45-M86 WeakPolarHBondContact CG2-O 3.43Å; P46-M86 HydrophobicContact CG-CE 4.04Å; C49-M86 PolarHBondContact SG-O 2.87Å; Y82-M86 HydrophobicContact CD2-CB 4.07Å; Y82-M86 HydrophobicContact CD2-CG 4.1Å; Y82-M86 HydrophobicContact CD2-SD 3.95Å; Y82-M86 HydrophobicContact CE2-CB 3.93Å; Y82-M86 HydrophobicContact CE2-CG 4.18Å; Y82-M86 HydrophobicContact CE2-SD 3.71Å; Y82-M86 PolarHBondContact O-N 3.17Å |
| 87 | H | 97.4 | Very high | 96.8 | Very high | 12 Ų | 12 | 47.5 Ų | 47.5 | 6% | 0.056 | 25% | 0.251 | C | S | . | . | trans | -85.7 | 157.1 | -174.5 | -72 | -130.6 | 0 | 0 | 0 | 112.2 | K13 Y32 F69 Y82 Y83 W90 | K13-H87 PolarHBondContact NZ-O 3.25Å; Y32-H87 AromaticContact CD1-CE1 3.78Å; Y32-H87 AromaticContact CE1-CE1 3.55Å; F69-H87 AromaticContact CD1-CE1 3.92Å; F69-H87 AromaticContact CD2-CE1 3.52Å; F69-H87 AromaticContact CE2-CE1 3.77Å; F69-H87 AromaticContact CG-CE1 3.61Å; F69-H87 AromaticContact CG-ND1 3.9Å; Y82-H87 AromaticContact CD1-NE2 3.5Å; Y82-H87 AromaticContact CE1-CD2 3.89Å; Y82-H87 AromaticContact CE1-CE1 3.87Å; Y82-H87 AromaticContact CE1-NE2 2.93Å; Y82-H87 WeakPolarHBondContact CE1-NE2 3.5Å; Y82-H87 AromaticContact CE2-NE2 3.96Å; Y82-H87 AromaticContact CZ-CD2 3.93Å; Y82-H87 AromaticContact CZ-NE2 3.2Å; Y82-H87 PolarHBondContact O-CD2 3.29Å; Y83-H87 HydrophobicContact CD2-CB 3.75Å; Y83-H87 AromaticContact CD2-CG 3.68Å; Y83-H87 AromaticContact CD2-ND1 3.67Å; Y83-H87 HydrophobicContact CE2-CB 4.05Å; Y83-H87 VanDerWaalsContact O-CB 3.28Å; Y83-H87 WeakPolarHBondContact O-CB 3.44Å; Y83-H87 PolarHBondContact O-N 3.35Å; H87-W90 HydrophobicContact CB-CZ2 3.56Å; H87-W90 AromaticContact CG-CE2 3.99Å; H87-W90 AromaticContact CG-CZ2 3.66Å; H87-W90 AromaticContact CG-NE1 3.73Å; H87-W90 AromaticContact ND1-CE2 3.57Å; H87-W90 AromaticContact ND1-CZ2 3.42Å; H87-W90 WeakPolarHBondContact ND1-CZ2 3.18Å; H87-W90 AromaticContact ND1-NE1 3.15Å; H87-W90 PolarHBondContact ND1-NE1 2.84Å; H87-W90 VanDerWaalsContact ND1-NE1 3.15Å | ||
| 88 | G | 94.6 | Very high | 96.7 | Very high | 12 Ų | 12 | 47.1 Ų | 47.1 | 12% | 0.124 | 25% | 0.249 | C | C | . | . | trans | -73.7 | -174.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | K13 C49 W90 | K13-G88 PolarHBondContact NZ-O 3Å; C49-G88 PolarHBondContact SG-N 3.13Å; G88-W90 PolarHBondContact O-N 3.18Å; G88-W90 VanDerWaalsContact O-N 3.07Å | ||
| 89 | D | 95.6 | Very high | 96.6 | Very high | 95 Ų | 95 | 44.7 Ų | 44.7 | 51% | 0.508 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -85.2 | 64.3 | 178.1 | -166.1 | 23.6 | 0 | 0 | 0 | 111.5 | K13 Y52 | K13-D89 WeakPolarHBondContact CB-OD1 3.2Å; Y52-D89 WeakPolarHBondContact CE1-O 3.32Å; Y52-D89 PolarHBondContact OH-O 3.16Å |
| 90 | W | 97.4 | Very high | 96.6 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.008 | 24% | 0.239 | C | C | . | . | trans | -115 | -165.5 | 174 | 54.6 | 51.8 | 0 | 0 | 0 | 110.5 | T45 L48 C49 Y52 E66 I67 Y83 H87 G88 | T45-W90 HydrophobicContact CG2-CZ2 4.45Å; L48-W90 HydrophobicContact CB-CH2 4.08Å; L48-W90 HydrophobicContact CB-CZ3 4.5Å; L48-W90 HydrophobicContact CD2-CH2 3.88Å; L48-W90 HydrophobicContact CD2-CZ2 4.32Å; L48-W90 HydrophobicContact CD2-CZ3 4.34Å; L48-W90 HydrophobicContact CG-CH2 3.71Å; L48-W90 HydrophobicContact CG-CZ3 3.87Å; C49-W90 VanDerWaalsContact SG-CH2 3.57Å; Y52-W90 HydrophobicContact CD1-CE3 4.04Å; Y52-W90 AromaticContact CD2-CE3 4Å; Y52-W90 HydrophobicContact CD2-CE3 4Å; Y52-W90 HydrophobicContact CE2-CB 4.18Å; Y52-W90 AromaticContact CG-CE3 3.7Å; Y52-W90 HydrophobicContact CG-CE3 3.7Å; Y52-W90 HydrophobicContact CG-CZ3 4.14Å; E66-W90 WeakPolarHBondContact OE1-CB 3.49Å; I67-W90 HydrophobicContact CB-CB 3.74Å; I67-W90 HydrophobicContact CB-CD2 3.82Å; I67-W90 HydrophobicContact CB-CE3 4.03Å; I67-W90 HydrophobicContact CB-CG 3.7Å; I67-W90 HydrophobicContact CD1-CD2 4.03Å; I67-W90 HydrophobicContact CD1-CE3 3.39Å; I67-W90 HydrophobicContact CD1-CH2 4.42Å; I67-W90 HydrophobicContact CD1-CZ3 3.61Å; I67-W90 HydrophobicContact CG1-CE3 4.28Å; I67-W90 HydrophobicContact CG2-CB 4.3Å; I67-W90 HydrophobicContact CG2-CD2 3.73Å; I67-W90 HydrophobicContact CG2-CE3 4.23Å; I67-W90 HydrophobicContact CG2-CG 3.75Å; Y83-W90 AromaticContact CE2-CD1 3.8Å; Y83-W90 AromaticContact CE2-NE1 3.68Å; Y83-W90 PolarHBondContact OH-O 3.03Å; H87-W90 HydrophobicContact CB-CZ2 3.56Å; H87-W90 AromaticContact CG-CE2 3.99Å; H87-W90 AromaticContact CG-CZ2 3.66Å; H87-W90 AromaticContact CG-NE1 3.73Å; H87-W90 AromaticContact ND1-CE2 3.57Å; H87-W90 AromaticContact ND1-CZ2 3.42Å; H87-W90 WeakPolarHBondContact ND1-CZ2 3.18Å; H87-W90 AromaticContact ND1-NE1 3.15Å; H87-W90 PolarHBondContact ND1-NE1 2.84Å; H87-W90 VanDerWaalsContact ND1-NE1 3.15Å; G88-W90 PolarHBondContact O-N 3.18Å; G88-W90 VanDerWaalsContact O-N 3.07Å | ||
| 91 | L | 98.1 | Very high | 96.6 | Very high | 12 Ų | 12 | 47.2 Ų | 47.2 | 6% | 0.063 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 162.6 | -177 | -55.1 | 177.3 | 0 | 0 | 0 | 112.6 | L10 L11 N12 V18 A23 L24 E66 I67 V68 F69 Y83 | L10-L91 HydrophobicContact CB-CB 4.27Å; L10-L91 HydrophobicContact CB-CD1 4.38Å; L10-L91 HydrophobicContact CD1-CB 4.15Å; L10-L91 HydrophobicContact CD1-CD1 3.67Å; L11-L91 CarbonylContact O-C 3.52Å; L11-L91 VanDerWaalsContact O-CA 3.26Å; L11-L91 WeakPolarHBondContact O-CA 3.24Å; N12-L91 HydrophobicContact CB-CD2 4.16Å; V18-L91 HydrophobicContact CG2-CD2 4.39Å; A23-L91 HydrophobicContact CB-CD1 3.78Å; L24-L91 HydrophobicContact CD2-CD1 4.17Å; E66-L91 HydrophobicContact CG-CD1 4.01Å; E66-L91 HydrophobicContact CG-CG 4.28Å; I67-L91 PolarHBondContact O-N 2.78Å; V68-L91 CarbonylContact C-O 3.58Å; V68-L91 WeakPolarHBondContact CA-O 3.48Å; V68-L91 HydrophobicContact CG2-CB 4.39Å; F69-L91 PolarHBondContact N-O 3.06Å; Y83-L91 VanDerWaalsContact OH-C 3.24Å |
| 92 | A | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 149 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112 | L10 L11 F69 M79 Y83 | L10-A92 CarbonylContact C-O 3.5Å; L10-A92 WeakPolarHBondContact CA-O 3.48Å; L11-A92 PolarHBondContact N-O 3.16Å; L11-A92 PolarHBondContact O-N 2.83Å; F69-A92 HydrophobicContact CB-CB 4.04Å; F69-A92 HydrophobicContact CD1-CB 3.97Å; F69-A92 HydrophobicContact CG-CB 4.47Å; F69-A92 WeakPolarHBondContact O-CA 3.47Å; M79-A92 HydrophobicContact CE-CB 3.76Å; Y83-A92 HydrophobicContact CD2-CB 4.43Å; Y83-A92 HydrophobicContact CE1-CB 4.26Å; Y83-A92 HydrophobicContact CE2-CB 3.86Å; Y83-A92 PolarHBondContact OH-N 3.09Å |
| 93 | L | 98.1 | Very high | 96.5 | Very high | 3 Ų | 3 | 45.6 Ų | 45.6 | 2% | 0.016 | 24% | 0.235 | C | C | . | . | trans | -77.2 | 134.3 | 165 | -175.6 | 74.3 | 0 | 0 | 0 | 108.8 | F5 L10 F69 I70 M79 W95 D97 K100 L103 | F5-L93 HydrophobicContact CE1-CD1 4.5Å; L10-L93 HydrophobicContact CD2-CB 4.33Å; L10-L93 HydrophobicContact CD2-CD1 4.12Å; F69-L93 PolarHBondContact O-N 2.72Å; I70-L93 HydrophobicContact CD1-CB 3.57Å; I70-L93 HydrophobicContact CD1-CD2 3.99Å; I70-L93 HydrophobicContact CD1-CG 4.39Å; M79-L93 WeakPolarHBondContact CE-O 3.44Å; L93-W95 PolarHBondContact O-N 2.63Å; L93-D97 HydrophobicContact CD1-CB 4.09Å; L93-D97 HydrophobicContact CD2-CB 4.18Å; L93-D97 HydrophobicContact CG-CB 3.96Å; L93-K100 HydrophobicContact CD2-CB 4.01Å; L93-L103 HydrophobicContact CD2-CD1 4.32Å | ||
| 94 | P | 97.6 | Very high | 96.4 | Very high | 14 Ų | 14 | 47.4 Ų | 47.4 | 9% | 0.091 | 24% | 0.243 | C | C | . | . | trans | -50.4 | 137.3 | 175.9 | -26.5 | 32.8 | 0 | 0 | 0 | 112.4 | T9 L11 F17 S96 D97 | T9-P94 VanDerWaalsContact O-CD 3.27Å; T9-P94 WeakPolarHBondContact O-CD 2.93Å; L11-P94 HydrophobicContact CD1-CB 4.14Å; L11-P94 HydrophobicContact CD1-CG 4.11Å; L11-P94 HydrophobicContact CG-CG 4.01Å; F17-P94 HydrophobicContact CE1-CG 4.11Å; P94-S96 PolarHBondContact O-N 2.84Å; P94-S96 VanDerWaalsContact O-N 3.13Å; P94-D97 HydrophobicContact CB-CB 4.41Å; P94-D97 WeakPolarHBondContact O-CB 3.4Å; P94-D97 PolarHBondContact O-N 3.4Å | ||
| 95 | W | 97 | Very high | 96.5 | Very high | 78 Ų | 78 | 50.1 Ų | 50.1 | 30% | 0.295 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -36.5 | -177.4 | -176 | 82.2 | 0 | 0 | 0 | 112.7 | D73 K74 S75 L76 M79 L93 D97 K100 | D73-W95 PolarHBondContact O-NE1 2.88Å; K74-W95 WeakPolarHBondContact O-CZ2 3.22Å; S75-W95 VanDerWaalsContact C-CE2 3.43Å; S75-W95 PolarHBondContact O-NE1 2.81Å; L76-W95 HydrophobicContact CB-CB 4.39Å; L76-W95 HydrophobicContact CB-CD2 4.1Å; L76-W95 HydrophobicContact CB-CE3 4.07Å; L76-W95 HydrophobicContact CB-CG 4.24Å; L76-W95 HydrophobicContact CD1-CB 3.64Å; L76-W95 HydrophobicContact CD1-CG 4.35Å; M79-W95 HydrophobicContact SD-CB 3.52Å; M79-W95 VanDerWaalsContact SD-CB 3.52Å; M79-W95 HydrophobicContact SD-CG 4.17Å; L93-W95 PolarHBondContact O-N 2.63Å; W95-D97 VanDerWaalsContact C-N 3.29Å; W95-D97 PolarHBondContact O-N 3.34Å; W95-K100 PolarHBondContact O-NZ 2.99Å |
| 96 | S | 95.6 | Very high | 96.5 | Very high | 91 Ų | 91 | 49.9 Ų | 49.9 | 64% | 0.636 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77 | -9.2 | -179.1 | 51.9 | 0 | 0 | 0 | 0 | 114.2 | P94 D98 | P94-S96 PolarHBondContact O-N 2.84Å; P94-S96 VanDerWaalsContact O-N 3.13Å; S96-D98 PolarHBondContact O-N 3.24Å |
| 97 | D | 96.9 | Very high | 96.4 | Very high | 27 Ų | 27 | 48.9 Ų | 48.9 | 14% | 0.144 | 24% | 0.24 | C | C | . | . | trans | -78.6 | 116.6 | -179.9 | -162.9 | -37.1 | 0 | 0 | 0 | 110.6 | R8 L93 P94 W95 Y99 K100 | R8-D97 IonicContact NH1-OD1 3.72Å; R8-D97 IonicContact NH1-OD2 3.96Å; L93-D97 HydrophobicContact CD1-CB 4.09Å; L93-D97 HydrophobicContact CD2-CB 4.18Å; L93-D97 HydrophobicContact CG-CB 3.96Å; P94-D97 HydrophobicContact CB-CB 4.41Å; P94-D97 WeakPolarHBondContact O-CB 3.4Å; P94-D97 PolarHBondContact O-N 3.4Å; W95-D97 VanDerWaalsContact C-N 3.29Å; W95-D97 PolarHBondContact O-N 3.34Å; D97-Y99 PolarHBondContact O-N 3.21Å; D97-Y99 WeakPolarHBondContact OD1-CB 3.48Å; D97-Y99 PolarHBondContact OD1-N 3.33Å; D97-K100 WeakPolarHBondContact O-CD 3.19Å; D97-K100 VanDerWaalsContact O-CG 3.31Å; D97-K100 WeakPolarHBondContact O-CG 3.26Å; D97-K100 PolarHBondContact O-N 3.41Å | ||
| 98 | D | 95.5 | Very high | 96.4 | Very high | 117 Ų | 117 | 56.8 Ų | 56.8 | 63% | 0.626 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -12.5 | 179.4 | -73.2 | -34.7 | 0 | 0 | 0 | 113.5 | S96 K100 H101 | S96-D98 PolarHBondContact O-N 3.24Å; D98-K100 PolarHBondContact O-N 2.79Å; D98-H101 WeakPolarHBondContact O-CB 3.48Å; D98-H101 PolarHBondContact O-CD2 2.91Å; D98-H101 PolarHBondContact O-N 2.92Å; D98-H101 IonicContact OD1-CD2 3.63Å |
| 99 | Y | 96.2 | Very high | 96.5 | Very high | 16 Ų | 16 | 57.4 Ų | 57.4 | 6% | 0.063 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -56.9 | -23.3 | 175 | -167.8 | -120.2 | 0 | 0 | 0 | 112.7 | V4 F5 D97 H101 E102 L103 | V4-Y99 WeakPolarHBondContact O-CE1 3.46Å; V4-Y99 VanDerWaalsContact O-CZ 3.24Å; V4-Y99 PolarHBondContact O-OH 3.15Å; F5-Y99 HydrophobicContact CD1-CD1 4.25Å; F5-Y99 HydrophobicContact CD1-CE1 4.04Å; F5-Y99 HydrophobicContact CE1-CD1 4.36Å; F5-Y99 HydrophobicContact CE1-CE1 4.21Å; D97-Y99 PolarHBondContact O-N 3.21Å; D97-Y99 WeakPolarHBondContact OD1-CB 3.48Å; D97-Y99 PolarHBondContact OD1-N 3.33Å; Y99-H101 PolarHBondContact O-N 3.28Å; Y99-H101 VanDerWaalsContact O-N 3.15Å; Y99-E102 HydrophobicContact CD2-CB 3.9Å; Y99-E102 HydrophobicContact CD2-CG 4.4Å; Y99-E102 WeakPolarHBondContact CD2-OE2 3.46Å; Y99-E102 HydrophobicContact CE2-CB 4.05Å; Y99-E102 HydrophobicContact CE2-CG 4.09Å; Y99-E102 WeakPolarHBondContact CE2-OE1 3.31Å; Y99-E102 VanDerWaalsContact CE2-OE2 3.31Å; Y99-E102 WeakPolarHBondContact CE2-OE2 3.28Å; Y99-E102 PolarHBondContact O-N 3.38Å; Y99-E102 VanDerWaalsContact O-N 3.1Å; Y99-L103 HydrophobicContact CD1-CD1 3.6Å; Y99-L103 HydrophobicContact CD1-CD2 4.29Å; Y99-L103 HydrophobicContact CD1-CG 3.74Å; Y99-L103 HydrophobicContact CE1-CD1 3.67Å; Y99-L103 HydrophobicContact CE1-CD2 3.52Å; Y99-L103 HydrophobicContact CE1-CG 3.49Å; Y99-L103 VanDerWaalsContact CE1-CG 3.49Å; Y99-L103 HydrophobicContact CG-CD1 4.5Å; Y99-L103 HydrophobicContact CG-CG 4.4Å; Y99-L103 WeakPolarHBondContact O-CG 3.49Å; Y99-L103 PolarHBondContact O-N 3.05Å |
| 100 | K | 96.1 | Very high | 96.5 | Very high | 27 Ų | 27 | 59.7 Ų | 59.7 | 12% | 0.117 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -52.9 | -33.7 | 169.5 | 69.7 | -167.6 | 174.4 | -175.3 | 0 | 113.1 | I70 L93 W95 D97 D98 K104 | I70-K100 HydrophobicContact CG2-CB 3.65Å; L93-K100 HydrophobicContact CD2-CB 4.01Å; W95-K100 PolarHBondContact O-NZ 2.99Å; D97-K100 WeakPolarHBondContact O-CD 3.19Å; D97-K100 VanDerWaalsContact O-CG 3.31Å; D97-K100 WeakPolarHBondContact O-CG 3.26Å; D97-K100 PolarHBondContact O-N 3.41Å; D98-K100 PolarHBondContact O-N 2.79Å; K100-K104 WeakPolarHBondContact O-CB 3.21Å; K100-K104 WeakPolarHBondContact O-CD 3.41Å; K100-K104 WeakPolarHBondContact O-CG 3.41Å; K100-K104 PolarHBondContact O-N 3.17Å; K100-K104 VanDerWaalsContact O-N 3.14Å |
| 101 | H | 96 | Very high | 96.3 | Very high | 92 Ų | 92 | 62.7 Ų | 62.7 | 43% | 0.426 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -74.6 | -41.7 | 178.4 | -64.8 | -66.4 | 0 | 0 | 0 | 111.6 | D98 Y99 K104 Q105 | D98-H101 WeakPolarHBondContact O-CB 3.48Å; D98-H101 PolarHBondContact O-CD2 2.91Å; D98-H101 PolarHBondContact O-N 2.92Å; D98-H101 IonicContact OD1-CD2 3.63Å; Y99-H101 PolarHBondContact O-N 3.28Å; Y99-H101 VanDerWaalsContact O-N 3.15Å; H101-K104 PolarHBondContact O-N 3.42Å; H101-Q105 WeakPolarHBondContact O-CG 3.31Å; H101-Q105 PolarHBondContact O-N 2.73Å; H101-Q105 VanDerWaalsContact O-N 3.09Å |
| 102 | E | 95.9 | Very high | 96.3 | Very high | 95 Ų | 95 | 63.5 Ų | 63.5 | 44% | 0.444 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.9 | -45.5 | 175.2 | -169.1 | -174.9 | 141.1 | 0 | 0 | 111 | Y99 K104 Q105 R106 | Y99-E102 HydrophobicContact CD2-CB 3.9Å; Y99-E102 HydrophobicContact CD2-CG 4.4Å; Y99-E102 WeakPolarHBondContact CD2-OE2 3.46Å; Y99-E102 HydrophobicContact CE2-CB 4.05Å; Y99-E102 HydrophobicContact CE2-CG 4.09Å; Y99-E102 WeakPolarHBondContact CE2-OE1 3.31Å; Y99-E102 VanDerWaalsContact CE2-OE2 3.31Å; Y99-E102 WeakPolarHBondContact CE2-OE2 3.28Å; Y99-E102 PolarHBondContact O-N 3.38Å; Y99-E102 VanDerWaalsContact O-N 3.1Å; E102-K104 VanDerWaalsContact C-N 3.35Å; E102-K104 PolarHBondContact O-N 3.07Å; E102-Q105 PolarHBondContact O-N 2.63Å; E102-Q105 VanDerWaalsContact O-N 3.14Å; E102-R106 VanDerWaalsContact O-CB 3.31Å; E102-R106 WeakPolarHBondContact O-CB 3.3Å; E102-R106 PolarHBondContact O-N 3.04Å |
| 103 | L | 96.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.3 | -44 | 176.4 | -71.8 | 171.7 | 0 | 0 | 0 | 112.2 | V4 F5 F33 I70 L93 Y99 Q105 R106 Y107 | V4-L103 HydrophobicContact CG2-CD2 3.91Å; F5-L103 HydrophobicContact CE1-CD1 3.75Å; F5-L103 HydrophobicContact CZ-CD1 4.19Å; F33-L103 HydrophobicContact CE1-CB 3.94Å; F33-L103 HydrophobicContact CZ-CB 3.98Å; I70-L103 HydrophobicContact CD1-CD1 3.56Å; I70-L103 HydrophobicContact CG1-CD1 4Å; L93-L103 HydrophobicContact CD2-CD1 4.32Å; Y99-L103 HydrophobicContact CD1-CD1 3.6Å; Y99-L103 HydrophobicContact CD1-CD2 4.29Å; Y99-L103 HydrophobicContact CD1-CG 3.74Å; Y99-L103 HydrophobicContact CE1-CD1 3.67Å; Y99-L103 HydrophobicContact CE1-CD2 3.52Å; Y99-L103 HydrophobicContact CE1-CG 3.49Å; Y99-L103 VanDerWaalsContact CE1-CG 3.49Å; Y99-L103 HydrophobicContact CG-CD1 4.5Å; Y99-L103 HydrophobicContact CG-CG 4.4Å; Y99-L103 WeakPolarHBondContact O-CG 3.49Å; Y99-L103 PolarHBondContact O-N 3.05Å; L103-Q105 VanDerWaalsContact C-N 3.29Å; L103-Q105 PolarHBondContact O-N 2.65Å; L103-R106 PolarHBondContact O-N 3.28Å; L103-Y107 HydrophobicContact CD2-CD2 4.21Å; L103-Y107 HydrophobicContact CD2-CE2 3.69Å; L103-Y107 VanDerWaalsContact O-CD2 3.3Å; L103-Y107 WeakPolarHBondContact O-CD2 3.22Å; L103-Y107 PolarHBondContact O-N 3.44Å |
| 104 | K | 96.3 | Very high | 96.3 | Very high | 47 Ų | 47 | 66.1 Ų | 66.1 | 20% | 0.204 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.5 | -41.2 | 175.9 | -77.6 | 171 | -179.2 | 177.5 | 0 | 111.7 | F33 S72 K100 H101 E102 K108 I109 | F33-K104 HydrophobicContact CD1-CG 3.91Å; F33-K104 HydrophobicContact CE1-CG 3.86Å; S72-K104 WeakPolarHBondContact OG-CE 3.46Å; S72-K104 PolarHBondContact OG-NZ 3.02Å; K100-K104 WeakPolarHBondContact O-CB 3.21Å; K100-K104 WeakPolarHBondContact O-CD 3.41Å; K100-K104 WeakPolarHBondContact O-CG 3.41Å; K100-K104 PolarHBondContact O-N 3.17Å; K100-K104 VanDerWaalsContact O-N 3.14Å; H101-K104 PolarHBondContact O-N 3.42Å; E102-K104 VanDerWaalsContact C-N 3.35Å; E102-K104 PolarHBondContact O-N 3.07Å; K104-K108 PolarHBondContact O-N 2.78Å; K104-K108 VanDerWaalsContact O-N 3.13Å; K104-I109 HydrophobicContact CB-CB 4.25Å; K104-I109 HydrophobicContact CG-CB 4.2Å; K104-I109 PolarHBondContact O-N 3.14Å |
| 105 | Q | 96.3 | Very high | 96.3 | Very high | 151 Ų | 151 | 65.5 Ų | 65.5 | 71% | 0.706 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -70.4 | -50.8 | 177.3 | -68.7 | 175.7 | 17.5 | 0 | 0 | 111.8 | H101 E102 L103 Y107 K108 | H101-Q105 WeakPolarHBondContact O-CG 3.31Å; H101-Q105 PolarHBondContact O-N 2.73Å; H101-Q105 VanDerWaalsContact O-N 3.09Å; E102-Q105 PolarHBondContact O-N 2.63Å; E102-Q105 VanDerWaalsContact O-N 3.14Å; L103-Q105 VanDerWaalsContact C-N 3.29Å; L103-Q105 PolarHBondContact O-N 2.65Å; Q105-Y107 VanDerWaalsContact C-N 3.28Å; Q105-Y107 PolarHBondContact O-N 3.06Å; Q105-K108 PolarHBondContact O-N 3.24Å |
| 106 | R | 94.7 | Very high | 96.4 | Very high | 116 Ų | 116 | 61.9 Ų | 61.9 | 44% | 0.438 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -53.5 | -45 | -179.4 | -177.2 | 174 | -176.9 | 165.5 | -0.4 | 111.7 | E102 L103 | E102-R106 VanDerWaalsContact O-CB 3.31Å; E102-R106 WeakPolarHBondContact O-CB 3.3Å; E102-R106 PolarHBondContact O-N 3.04Å; L103-R106 PolarHBondContact O-N 3.28Å |
| 107 | Y | 95.9 | Very high | 96.5 | Very high | 20 Ų | 20 | 57.5 Ų | 57.5 | 8% | 0.078 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 11.5 | -178.7 | -60.7 | -65.4 | 0 | 0 | 0 | 114.1 | V4 I31 F33 L103 Q105 I109 V116 V118 G122 V124 | V4-Y107 HydrophobicContact CG2-CE2 4.37Å; V4-Y107 WeakPolarHBondContact CG2-OH 3.09Å; I31-Y107 HydrophobicContact CD1-CD2 4.25Å; I31-Y107 HydrophobicContact CD1-CE2 3.49Å; I31-Y107 VanDerWaalsContact CD1-CE2 3.49Å; F33-Y107 HydrophobicContact CZ-CD2 4.16Å; L103-Y107 HydrophobicContact CD2-CD2 4.21Å; L103-Y107 HydrophobicContact CD2-CE2 3.69Å; L103-Y107 VanDerWaalsContact O-CD2 3.3Å; L103-Y107 WeakPolarHBondContact O-CD2 3.22Å; L103-Y107 PolarHBondContact O-N 3.44Å; Q105-Y107 VanDerWaalsContact C-N 3.28Å; Q105-Y107 PolarHBondContact O-N 3.06Å; Y107-I109 VanDerWaalsContact C-N 3.29Å; Y107-I109 WeakPolarHBondContact O-CD1 3.44Å; Y107-I109 PolarHBondContact O-N 3.09Å; Y107-V116 HydrophobicContact CD1-CG1 3.88Å; Y107-V116 HydrophobicContact CE1-CG1 4.3Å; Y107-V116 HydrophobicContact CG-CG1 4.34Å; Y107-V118 HydrophobicContact CE1-CG1 3.89Å; Y107-G122 PolarHBondContact OH-O 2.73Å; Y107-G122 VanDerWaalsContact OH-O 3.07Å; Y107-V124 HydrophobicContact CD1-CG2 3.74Å; Y107-V124 HydrophobicContact CE1-CG2 3.51Å |
| 108 | K | 96.1 | Very high | 96.5 | Very high | 178 Ų | 178 | 56.2 Ų | 56.2 | 77% | 0.774 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 44.7 | 174.3 | -55.3 | 178.4 | -177.3 | 176.6 | 0 | 112.8 | K104 Q105 T110 | K104-K108 PolarHBondContact O-N 2.78Å; K104-K108 VanDerWaalsContact O-N 3.13Å; Q105-K108 PolarHBondContact O-N 3.24Å; K108-T110 PolarHBondContact O-N 3.4Å |
| 109 | I | 96.9 | Very high | 96.4 | Very high | 25 Ų | 25 | 52.3 Ų | 52.3 | 13% | 0.128 | 26% | 0.257 | C | S | . | . | trans | -77.9 | 106.6 | -177.4 | -49.1 | -62.4 | 0 | 0 | 0 | 109.2 | F33 K104 Y107 K114 V116 | F33-I109 HydrophobicContact CB-CG2 4.07Å; F33-I109 HydrophobicContact CD1-CG1 4.04Å; F33-I109 HydrophobicContact CD1-CG2 4.29Å; F33-I109 HydrophobicContact CD2-CD1 3.57Å; F33-I109 HydrophobicContact CD2-CG1 3.85Å; F33-I109 HydrophobicContact CD2-CG2 4.49Å; F33-I109 HydrophobicContact CE1-CG1 3.92Å; F33-I109 HydrophobicContact CE2-CD1 3.54Å; F33-I109 HydrophobicContact CE2-CG1 3.73Å; F33-I109 HydrophobicContact CG-CD1 4.15Å; F33-I109 HydrophobicContact CG-CG1 4Å; F33-I109 HydrophobicContact CG-CG2 4.04Å; F33-I109 HydrophobicContact CZ-CD1 4.1Å; F33-I109 HydrophobicContact CZ-CG1 3.76Å; K104-I109 HydrophobicContact CB-CB 4.25Å; K104-I109 HydrophobicContact CG-CB 4.2Å; K104-I109 PolarHBondContact O-N 3.14Å; Y107-I109 VanDerWaalsContact C-N 3.29Å; Y107-I109 WeakPolarHBondContact O-CD1 3.44Å; Y107-I109 PolarHBondContact O-N 3.09Å; I109-K114 HydrophobicContact CD1-CB 4.2Å; I109-K114 HydrophobicContact CD1-CG 3.59Å; I109-K114 HydrophobicContact CG2-CB 4.38Å; I109-V116 HydrophobicContact CD1-CG2 3.91Å | ||
| 110 | T | 94.6 | Very high | 95.9 | Very high | 142 Ų | 142 | 53.3 Ų | 53.3 | 87% | 0.871 | 26% | 0.262 | S | S | * | . | trans | -103.3 | -18.3 | 178.3 | 59.2 | 0 | 0 | 0 | 0 | 113.5 | K108 | K108-T110 PolarHBondContact O-N 3.4Š| ||
| 111 | A | 95.2 | Very high | 95.3 | Very high | 66 Ų | 66 | 55.1 Ų | 55.1 | 55% | 0.545 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -152.3 | 154.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 112 | V | 97.3 | Very high | 94.9 | Very high | 28 Ų | 28 | 50.9 Ų | 50.9 | 17% | 0.17 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -115.3 | 152.3 | 175.3 | -64.6 | 0 | 0 | 0 | 0 | 110.2 | F33 C38 | F33-V112 HydrophobicContact CB-CG1 4.02Å; C38-V112 HydrophobicContact CB-CG2 4.2Å |
| 113 | P | 97.8 | Very high | 94.8 | Very high | 7 Ų | 7 | 51 Ų | 51 | 5% | 0.045 | 26% | 0.255 | C | S | . | . | S | Bend | cis | -77.9 | 141.4 | -1.7 | 30.2 | -34.3 | 0 | 0 | 0 | 112.7 | Y32 F33 P40 C41 F44 | Y32-P113 HydrophobicContact CE2-CB 3.88Å; F33-P113 WeakPolarHBondContact O-CA 3.44Å; P40-P113 HydrophobicContact CB-CG 4.5Å; P40-P113 WeakPolarHBondContact O-CG 3.25Å; C41-P113 HydrophobicContact CB-CB 4.38Å; C41-P113 VanDerWaalsContact SG-CB 3.59Å; C41-P113 VanDerWaalsContact SG-CD 3.54Å; C41-P113 VanDerWaalsContact SG-N 3.42Å; F44-P113 HydrophobicContact CB-CG 4.1Å; F44-P113 HydrophobicContact CD1-CB 4.13Å; F44-P113 HydrophobicContact CD1-CG 4.38Å |
| 114 | K | 98.3 | Very high | 94.8 | Very high | 52 Ų | 52 | 54.3 Ų | 54.3 | 23% | 0.226 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 130.5 | 173.7 | -173.2 | 71.5 | 162.9 | 176.7 | 0 | 108.5 | F33 I109 V116 D127 | F33-K114 HydrophobicContact CB-CB 4.41Å; F33-K114 PolarHBondContact N-O 3.39Å; F33-K114 PolarHBondContact O-N 3.41Å; I109-K114 HydrophobicContact CD1-CB 4.2Å; I109-K114 HydrophobicContact CD1-CG 3.59Å; I109-K114 HydrophobicContact CG2-CB 4.38Å; K114-V116 HydrophobicContact CG-CG2 4.12Å; K114-D127 WeakPolarHBondContact CE-O 3.48Å; K114-D127 PolarHBondContact NZ-O 3.48Å; K114-D127 IonicContact NZ-OD2 2.92Å; K114-D127 PolarHBondContact NZ-OD2 3.48Å |
| 115 | L | 98.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 112.8 | 175.3 | 179.4 | 69.1 | 0 | 0 | 0 | 107.7 | Y32 F44 L48 I117 G129 R130 I133 | Y32-L115 HydrophobicContact CD2-CB 4.46Å; Y32-L115 HydrophobicContact CD2-CD1 4.38Å; Y32-L115 HydrophobicContact CG-CD1 4.47Å; F44-L115 HydrophobicContact CE1-CB 4.43Å; F44-L115 HydrophobicContact CZ-CD2 4.36Å; L48-L115 HydrophobicContact CD1-CD2 3.85Å; L115-I117 HydrophobicContact CD1-CD1 4.33Å; L115-I117 HydrophobicContact CD2-CD1 3.92Å; L115-I117 HydrophobicContact CG-CD1 3.79Å; L115-G129 PolarHBondContact O-N 2.83Å; L115-G129 VanDerWaalsContact O-N 3.16Å; L115-R130 HydrophobicContact CB-CB 4.35Å; L115-I133 HydrophobicContact CD2-CD1 3.45Å; L115-I133 VanDerWaalsContact CD2-CD1 3.45Å |
| 116 | V | 98.4 | Very high | 94.9 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 123.8 | 177.2 | -175.2 | 0 | 0 | 0 | 0 | 107.7 | I31 F33 Y107 I109 K114 V118 V124 | I31-V116 PolarHBondContact N-O 2.85Å; I31-V116 PolarHBondContact O-N 3.14Å; F33-V116 HydrophobicContact CE2-CG2 4.2Å; Y107-V116 HydrophobicContact CD1-CG1 3.88Å; Y107-V116 HydrophobicContact CE1-CG1 4.3Å; Y107-V116 HydrophobicContact CG-CG1 4.34Å; I109-V116 HydrophobicContact CD1-CG2 3.91Å; K114-V116 HydrophobicContact CG-CG2 4.12Å; V116-V118 HydrophobicContact CG1-CG1 3.93Å; V116-V124 HydrophobicContact CG1-CG1 4.2Å; V116-V124 HydrophobicContact CG1-CG2 4.29Å |
| 117 | I | 98.3 | Very high | 95 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 125.2 | 178.4 | -49.8 | -58.7 | 0 | 0 | 0 | 107.7 | V28 V29 F65 L115 I125 T126 W144 | V28-I117 HydrophobicContact CG1-CG2 3.32Å; V29-I117 WeakPolarHBondContact O-CA 3.09Å; F65-I117 HydrophobicContact CE2-CD1 4.43Å; L115-I117 HydrophobicContact CD1-CD1 4.33Å; L115-I117 HydrophobicContact CD2-CD1 3.92Å; L115-I117 HydrophobicContact CG-CD1 3.79Å; I117-I125 HydrophobicContact CB-CB 4.47Å; I117-I125 HydrophobicContact CG2-CB 4.22Å; I117-I125 HydrophobicContact CG2-CD1 4.21Å; I117-I125 PolarHBondContact O-N 2.91Å; I117-T126 HydrophobicContact CB-CG2 3.64Å; I117-T126 HydrophobicContact CG1-CG2 3.73Å; I117-T126 HydrophobicContact CG2-CG2 4.46Å; I117-T126 PolarHBondContact N-O 3.18Å; I117-T126 PolarHBondContact O-N 2.81Å; I117-T126 VanDerWaalsContact O-N 3.14Å; I117-W144 HydrophobicContact CB-CD2 4.49Å; I117-W144 HydrophobicContact CD1-CE3 4.16Å; I117-W144 HydrophobicContact CD1-CH2 3.85Å; I117-W144 HydrophobicContact CD1-CZ2 4.17Å; I117-W144 HydrophobicContact CD1-CZ3 3.84Å; I117-W144 HydrophobicContact CG1-CD2 4.08Å; I117-W144 HydrophobicContact CG1-CE3 4.22Å; I117-W144 HydrophobicContact CG1-CH2 4.08Å; I117-W144 HydrophobicContact CG1-CZ2 3.86Å; I117-W144 HydrophobicContact CG1-CZ3 4.24Å; I117-W144 HydrophobicContact CG2-CB 4.19Å; I117-W144 HydrophobicContact CG2-CD2 3.86Å; I117-W144 HydrophobicContact CG2-CE3 4Å; I117-W144 HydrophobicContact CG2-CG 3.92Å |
| 118 | V | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 157.8 | -178.6 | -55.9 | 0 | 0 | 0 | 0 | 110.7 | V29 I31 Y107 V116 E123 V124 | V29-V118 HydrophobicContact CB-CG2 3.86Å; V29-V118 HydrophobicContact CG1-CG2 4.43Å; V29-V118 PolarHBondContact N-O 3.37Å; V29-V118 WeakPolarHBondContact O-CG2 3.48Å; V29-V118 PolarHBondContact O-N 2.86Å; I31-V118 HydrophobicContact CD1-CG1 4.18Å; I31-V118 HydrophobicContact CD1-CG2 3.98Å; I31-V118 HydrophobicContact CG1-CG2 4.16Å; Y107-V118 HydrophobicContact CE1-CG1 3.89Å; V116-V118 HydrophobicContact CG1-CG1 3.93Å; V118-E123 CarbonylContact C-O 3.32Å; V118-E123 WeakPolarHBondContact CA-O 3.36Å; V118-E123 WeakPolarHBondContact CB-O 3.22Å; V118-V124 HydrophobicContact CG1-CG2 4.29Å |
| 119 | K | 92.5 | Very high | 95.1 | Very high | 34 Ų | 34 | 42 Ų | 42 | 15% | 0.148 | 23% | 0.229 | C | C | . | . | trans | -69.7 | 168.5 | 164.1 | -58.2 | -174 | -173.3 | 172.1 | 0 | 110 | N121 G122 E123 I125 A147 A148 | K119-N121 VanDerWaalsContact CB-OD1 3.31Å; K119-N121 WeakPolarHBondContact CB-OD1 3.41Å; K119-N121 PolarHBondContact O-N 3.46Å; K119-N121 VanDerWaalsContact O-N 3.17Å; K119-G122 PolarHBondContact O-N 3.33Å; K119-E123 HydrophobicContact CB-CB 4.43Å; K119-E123 HydrophobicContact CD-CB 4.11Å; K119-E123 WeakPolarHBondContact CD-OE2 3.28Å; K119-E123 WeakPolarHBondContact CE-OE2 3.27Å; K119-E123 HydrophobicContact CG-CB 4.32Å; K119-E123 PolarHBondContact N-O 3.23Å; K119-E123 IonicContact NZ-OE1 2.78Å; K119-E123 IonicContact NZ-OE2 2.8Å; K119-E123 PolarHBondContact NZ-OE2 3.38Å; K119-I125 HydrophobicContact CG-CD1 3.93Å; K119-I125 HydrophobicContact CG-CG1 3.82Å; K119-A147 WeakPolarHBondContact CE-O 3.27Å; K119-A148 HydrophobicContact CG-CB 4.35Å | ||
| 120 | E | 85.2 | Confident | 95.2 | Very high | 37 Ų | 37 | 44.2 Ų | 44.2 | 17% | 0.173 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | -41.9 | 172.8 | -166.8 | -165.9 | 134.9 | 0 | 0 | 112.3 | M1 V2 N26 G122 | M1-E120 VanDerWaalsContact C-OE1 3.29Å; M1-E120 WeakPolarHBondContact CA-OE1 3.32Å; M1-E120 PolarHBondContact N-OE1 3.1Å; V2-E120 VanDerWaalsContact CA-O 3.29Å; V2-E120 WeakPolarHBondContact CA-O 3.46Å; V2-E120 HydrophobicContact CB-CG 4.07Å; V2-E120 HydrophobicContact CG1-CG 4.47Å; V2-E120 WeakPolarHBondContact CG1-O 3.39Å; V2-E120 HydrophobicContact CG2-CG 3.32Å; V2-E120 PolarHBondContact N-OE1 2.88Å; N26-E120 PolarHBondContact N-OE2 3.21Å; E120-G122 PolarHBondContact O-N 2.75Å |
| 121 | N | 83.8 | Confident | 95.3 | Very high | 65 Ų | 65 | 43.6 Ų | 43.6 | 35% | 0.348 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | 2.9 | 179.4 | 70.6 | 1.9 | 0 | 0 | 0 | 114.6 | K119 E123 | K119-N121 VanDerWaalsContact CB-OD1 3.31Å; K119-N121 WeakPolarHBondContact CB-OD1 3.41Å; K119-N121 PolarHBondContact O-N 3.46Å; K119-N121 VanDerWaalsContact O-N 3.17Å; N121-E123 VanDerWaalsContact C-N 3.33Å; N121-E123 PolarHBondContact O-N 2.82Å; N121-E123 WeakPolarHBondContact OD1-CB 3.12Å; N121-E123 PolarHBondContact OD1-N 3.36Å |
| 122 | G | 88.4 | Confident | 95.5 | Very high | 3 Ų | 3 | 42.2 Ų | 42.2 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | S | Bend | trans | 82.2 | 2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y107 K119 E120 | Y107-G122 PolarHBondContact OH-O 2.73Å; Y107-G122 VanDerWaalsContact OH-O 3.07Å; K119-G122 PolarHBondContact O-N 3.33Å; E120-G122 PolarHBondContact O-N 2.75Å |
| 123 | E | 92.6 | Very high | 95.5 | Very high | 98 Ų | 98 | 41.1 Ų | 41.1 | 46% | 0.458 | 20% | 0.197 | S | C | . | . | trans | -65.2 | 132.9 | 171.8 | -170.6 | -172.7 | 168.1 | 0 | 0 | 110.3 | V118 K119 N121 I125 | V118-E123 CarbonylContact C-O 3.32Å; V118-E123 WeakPolarHBondContact CA-O 3.36Å; V118-E123 WeakPolarHBondContact CB-O 3.22Å; K119-E123 HydrophobicContact CB-CB 4.43Å; K119-E123 HydrophobicContact CD-CB 4.11Å; K119-E123 WeakPolarHBondContact CD-OE2 3.28Å; K119-E123 WeakPolarHBondContact CE-OE2 3.27Å; K119-E123 HydrophobicContact CG-CB 4.32Å; K119-E123 PolarHBondContact N-O 3.23Å; K119-E123 IonicContact NZ-OE1 2.78Å; K119-E123 IonicContact NZ-OE2 2.8Å; K119-E123 PolarHBondContact NZ-OE2 3.38Å; N121-E123 VanDerWaalsContact C-N 3.33Å; N121-E123 PolarHBondContact O-N 2.82Å; N121-E123 WeakPolarHBondContact OD1-CB 3.12Å; N121-E123 PolarHBondContact OD1-N 3.36Å; E123-I125 PolarHBondContact O-N 3.33Å | ||
| 124 | V | 96.5 | Very high | 95.4 | Very high | 70 Ų | 70 | 47.2 Ų | 47.2 | 42% | 0.424 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 120.4 | -176.2 | 179.1 | 0 | 0 | 0 | 0 | 110.8 | Y107 V116 V118 | Y107-V124 HydrophobicContact CD1-CG2 3.74Å; Y107-V124 HydrophobicContact CE1-CG2 3.51Å; V116-V124 HydrophobicContact CG1-CG1 4.2Å; V116-V124 HydrophobicContact CG1-CG2 4.29Å; V118-V124 HydrophobicContact CG1-CG2 4.29Å |
| 125 | I | 96.9 | Very high | 95.4 | Very high | 36 Ų | 36 | 49.8 Ų | 49.8 | 19% | 0.185 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | -45.9 | 166.6 | -62 | 173.9 | 0 | 0 | 0 | 109.2 | V28 I117 K119 E123 W144 A147 A148 | V28-I125 HydrophobicContact CG1-CD1 4.27Å; I117-I125 HydrophobicContact CB-CB 4.47Å; I117-I125 HydrophobicContact CG2-CB 4.22Å; I117-I125 HydrophobicContact CG2-CD1 4.21Å; I117-I125 PolarHBondContact O-N 2.91Å; K119-I125 HydrophobicContact CG-CD1 3.93Å; K119-I125 HydrophobicContact CG-CG1 3.82Å; E123-I125 PolarHBondContact O-N 3.33Å; I125-W144 HydrophobicContact CG2-CB 4.39Å; I125-W144 HydrophobicContact CG2-CG 4.48Å; I125-A147 HydrophobicContact CG1-CB 4.41Å; I125-A147 HydrophobicContact CG2-CB 3.69Å; I125-A148 HydrophobicContact CD1-CB 3.79Å |
| 126 | T | 97.4 | Very high | 95.3 | Very high | 18 Ų | 18 | 56.9 Ų | 56.9 | 11% | 0.11 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.6 | 138.7 | 179.9 | 171.7 | 0 | 0 | 0 | 0 | 111.7 | I117 K128 Q132 | I117-T126 HydrophobicContact CB-CG2 3.64Å; I117-T126 HydrophobicContact CG1-CG2 3.73Å; I117-T126 HydrophobicContact CG2-CG2 4.46Å; I117-T126 PolarHBondContact N-O 3.18Å; I117-T126 PolarHBondContact O-N 2.81Å; I117-T126 VanDerWaalsContact O-N 3.14Å; T126-K128 VanDerWaalsContact C-N 3.31Å; T126-K128 PolarHBondContact OG1-N 3.49Å; T126-Q132 PolarHBondContact OG1-OE1 3.1Å |
| 127 | D | 97 | Very high | 95.1 | Very high | 71 Ų | 71 | 58.2 Ų | 58.2 | 38% | 0.38 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -92 | 5.4 | 171.9 | 79.9 | -43.9 | 0 | 0 | 0 | 112.4 | K114 | K114-D127 WeakPolarHBondContact CE-O 3.48Å; K114-D127 PolarHBondContact NZ-O 3.48Å; K114-D127 IonicContact NZ-OD2 2.92Å; K114-D127 PolarHBondContact NZ-OD2 3.48Å |
| 128 | K | 97.4 | Very high | 94.9 | Very high | 128 Ų | 128 | 61.4 Ų | 61.4 | 56% | 0.557 | 29% | 0.292 | S | S | * | . | trans | -108.1 | 22.7 | -176.4 | -59.8 | 179.2 | -173.9 | 169.2 | 0 | 112.6 | T126 R130 K131 Q132 | T126-K128 VanDerWaalsContact C-N 3.31Å; T126-K128 PolarHBondContact OG1-N 3.49Å; K128-R130 VanDerWaalsContact C-N 3.32Å; K128-R130 PolarHBondContact O-N 2.92Å; K128-K131 PolarHBondContact O-N 3.05Å; K128-Q132 PolarHBondContact O-N 2.94Å | ||
| 129 | G | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -50.7 | -49 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L115 K131 Q132 I133 | L115-G129 PolarHBondContact O-N 2.83Å; L115-G129 VanDerWaalsContact O-N 3.16Å; G129-K131 VanDerWaalsContact C-N 3.3Å; G129-K131 PolarHBondContact O-N 3.41Å; G129-Q132 PolarHBondContact O-N 3.39Å; G129-Q132 VanDerWaalsContact O-N 3.13Å; G129-I133 WeakPolarHBondContact O-CG1 3.33Å; G129-I133 PolarHBondContact O-N 3.23Å |
| 130 | R | 97.8 | Very high | 94.9 | Very high | 71 Ų | 71 | 62.9 Ų | 62.9 | 27% | 0.268 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -53.5 | -44.8 | 176.2 | 172.7 | 175.9 | 178.4 | -143.2 | 1.1 | 113.2 | F44 L115 K128 R134 | F44-R130 HydrophobicContact CD1-CB 4.49Å; F44-R130 HydrophobicContact CD1-CG 4.03Å; F44-R130 HydrophobicContact CD2-CG 3.8Å; F44-R130 HydrophobicContact CE1-CB 3.95Å; F44-R130 HydrophobicContact CE1-CG 3.93Å; F44-R130 HydrophobicContact CE2-CB 4.2Å; F44-R130 HydrophobicContact CE2-CG 3.71Å; F44-R130 HydrophobicContact CG-CG 3.97Å; F44-R130 HydrophobicContact CZ-CB 3.8Å; F44-R130 HydrophobicContact CZ-CG 3.78Å; L115-R130 HydrophobicContact CB-CB 4.35Å; K128-R130 VanDerWaalsContact C-N 3.32Å; K128-R130 PolarHBondContact O-N 2.92Å; R130-R134 PolarHBondContact O-N 2.77Å |
| 131 | K | 97.6 | Very high | 95.4 | Very high | 129 Ų | 129 | 61.8 Ų | 61.8 | 56% | 0.561 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -70 | -43.2 | -179.9 | 179.1 | 173.5 | 179.5 | 175 | 0 | 110.7 | K128 G129 I133 R134 D135 | K128-K131 PolarHBondContact O-N 3.05Å; G129-K131 VanDerWaalsContact C-N 3.3Å; G129-K131 PolarHBondContact O-N 3.41Å; K131-I133 PolarHBondContact O-N 2.87Å; K131-R134 PolarHBondContact O-N 3.06Å; K131-D135 WeakPolarHBondContact CE-OD2 3.31Å; K131-D135 VanDerWaalsContact CG-OD2 3.24Å; K131-D135 WeakPolarHBondContact CG-OD2 3.36Å; K131-D135 WeakPolarHBondContact O-CB 3.37Å; K131-D135 PolarHBondContact O-N 3.21Å |
| 132 | Q | 98.2 | Very high | 95.7 | Very high | 37 Ų | 37 | 67.9 Ų | 67.9 | 17% | 0.173 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.6 | -41.6 | -179.6 | -73.6 | 174.8 | -32.9 | 0 | 0 | 112.4 | T126 K128 G129 D135 R136 C140 W144 | T126-Q132 PolarHBondContact OG1-OE1 3.1Å; K128-Q132 PolarHBondContact O-N 2.94Å; G129-Q132 PolarHBondContact O-N 3.39Å; G129-Q132 VanDerWaalsContact O-N 3.13Å; Q132-D135 PolarHBondContact O-N 3.42Å; Q132-R136 WeakPolarHBondContact O-CA 3.28Å; Q132-R136 VanDerWaalsContact O-CB 3.32Å; Q132-R136 WeakPolarHBondContact O-CB 3.42Å; Q132-R136 PolarHBondContact O-N 2.8Å; Q132-C140 HydrophobicContact CB-CB 3.88Å; Q132-W144 HydrophobicContact CB-CZ2 4.14Å |
| 133 | I | 98.1 | Very high | 96 | Very high | 6 Ų | 6 | 71.1 Ų | 71.1 | 3% | 0.031 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.4 | -48.7 | 174.1 | -67.6 | 175.7 | 0 | 0 | 0 | 110.1 | F44 V47 L48 F51 L115 G129 K131 D135 G137 W144 | F44-I133 HydrophobicContact CE2-CG2 4.43Å; F44-I133 HydrophobicContact CZ-CD1 4.28Å; V47-I133 HydrophobicContact CG1-CG2 4.05Å; L48-I133 HydrophobicContact CD1-CD1 3.54Å; F51-I133 HydrophobicContact CB-CG2 4.12Å; F51-I133 HydrophobicContact CD1-CD1 3.84Å; F51-I133 HydrophobicContact CD1-CG1 4.34Å; F51-I133 HydrophobicContact CD2-CD1 4.39Å; F51-I133 HydrophobicContact CD2-CG1 4.06Å; F51-I133 HydrophobicContact CD2-CG2 3.91Å; F51-I133 HydrophobicContact CE1-CD1 3.94Å; F51-I133 HydrophobicContact CE1-CG1 4.24Å; F51-I133 HydrophobicContact CE2-CD1 4.47Å; F51-I133 HydrophobicContact CE2-CG1 3.95Å; F51-I133 HydrophobicContact CG-CD1 4.06Å; F51-I133 HydrophobicContact CG-CG1 4.24Å; F51-I133 HydrophobicContact CG-CG2 4.07Å; F51-I133 HydrophobicContact CZ-CD1 4.26Å; F51-I133 HydrophobicContact CZ-CG1 4.04Å; L115-I133 HydrophobicContact CD2-CD1 3.45Å; L115-I133 VanDerWaalsContact CD2-CD1 3.45Å; G129-I133 WeakPolarHBondContact O-CG1 3.33Å; G129-I133 PolarHBondContact O-N 3.23Å; K131-I133 PolarHBondContact O-N 2.87Å; I133-D135 PolarHBondContact O-N 3.07Å; I133-G137 VanDerWaalsContact O-CA 3.24Å; I133-G137 WeakPolarHBondContact O-CA 3.43Å; I133-G137 PolarHBondContact O-N 3.5Å; I133-W144 HydrophobicContact CD1-CH2 4Å; I133-W144 HydrophobicContact CG1-CH2 3.72Å; I133-W144 HydrophobicContact CG1-CZ2 4.36Å |
| 134 | R | 96.7 | Very high | 96.1 | Very high | 134 Ų | 134 | 66.5 Ų | 66.5 | 51% | 0.506 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.5 | -40.6 | 179.1 | -79.1 | -171.4 | 154.4 | -148.9 | -4.3 | 113.7 | F44 R130 K131 | F44-R134 HydrophobicContact CD2-CG 4.48Å; F44-R134 HydrophobicContact CE2-CG 4.44Å; R130-R134 PolarHBondContact O-N 2.77Å; K131-R134 PolarHBondContact O-N 3.06Å |
| 135 | D | 97.3 | Very high | 95.9 | Very high | 107 Ų | 107 | 64.3 Ų | 64.3 | 57% | 0.572 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -83.4 | -27.4 | -173.8 | -67.5 | -6.7 | 0 | 0 | 0 | 112.5 | K131 Q132 I133 | K131-D135 WeakPolarHBondContact CE-OD2 3.31Å; K131-D135 VanDerWaalsContact CG-OD2 3.24Å; K131-D135 WeakPolarHBondContact CG-OD2 3.36Å; K131-D135 WeakPolarHBondContact O-CB 3.37Å; K131-D135 PolarHBondContact O-N 3.21Å; Q132-D135 PolarHBondContact O-N 3.42Å; I133-D135 PolarHBondContact O-N 3.07Å |
| 136 | R | 96.3 | Very high | 95.6 | Very high | 149 Ų | 149 | 68.7 Ų | 68.7 | 56% | 0.562 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -130.6 | -8.6 | -168 | -54.7 | -177.1 | -179.2 | -173.2 | -2.6 | 114.8 | Q132 A139 C140 | Q132-R136 WeakPolarHBondContact O-CA 3.28Å; Q132-R136 VanDerWaalsContact O-CB 3.32Å; Q132-R136 WeakPolarHBondContact O-CB 3.42Å; Q132-R136 PolarHBondContact O-N 2.8Å; R136-A139 WeakPolarHBondContact O-CB 3.24Å; R136-A139 PolarHBondContact O-N 3.06Å; R136-C140 HydrophobicContact CB-CB 4.19Å |
| 137 | G | 95.1 | Very high | 95.3 | Very high | 29 Ų | 29 | 69.9 Ų | 69.9 | 30% | 0.299 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | -141.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I133 A139 C140 | I133-G137 VanDerWaalsContact O-CA 3.24Å; I133-G137 WeakPolarHBondContact O-CA 3.43Å; I133-G137 PolarHBondContact O-N 3.5Å; G137-A139 PolarHBondContact O-N 3.05Å; G137-C140 PolarHBondContact O-N 2.87Å; G137-C140 PolarHBondContact O-SG 3.06Å |
| 138 | L | 94.3 | Very high | 94.8 | Very high | 67 Ų | 67 | 67.1 Ų | 67.1 | 35% | 0.351 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -26.6 | 179.6 | -57.6 | -175 | 0 | 0 | 0 | 114.5 | F51 E54 L55 C140 F141 | F51-L138 HydrophobicContact CD2-CD2 3.86Å; F51-L138 HydrophobicContact CE2-CD2 4.14Å; E54-L138 HydrophobicContact CB-CD1 4.25Å; E54-L138 HydrophobicContact CB-CD2 3.9Å; E54-L138 VanDerWaalsContact OE2-CD1 3.26Å; E54-L138 WeakPolarHBondContact OE2-CD1 3.49Å; L55-L138 HydrophobicContact CD2-CD2 3.86Å; L55-L138 HydrophobicContact CG-CD2 3.77Å; L138-C140 PolarHBondContact O-N 3.06Å; L138-C140 VanDerWaalsContact O-N 3.15Å; L138-F141 VanDerWaalsContact O-CB 3.32Å; L138-F141 WeakPolarHBondContact O-CB 3.07Å; L138-F141 PolarHBondContact O-N 3.1Å |
| 139 | A | 94.4 | Very high | 94.3 | Very high | 65 Ų | 65 | 67.4 Ų | 67.4 | 54% | 0.537 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.3 | -23 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | R136 G137 F141 | R136-A139 WeakPolarHBondContact O-CB 3.24Å; R136-A139 PolarHBondContact O-N 3.06Å; G137-A139 PolarHBondContact O-N 3.05Å; A139-F141 VanDerWaalsContact C-N 3.27Å; A139-F141 PolarHBondContact O-N 3.44Å |
| 140 | C | 94.8 | Very high | 93 | Very high | 1 Ų | 1 | 69.1 Ų | 69.1 | 1% | 0.007 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -70.1 | -24.6 | 175.9 | 66.4 | 0 | 0 | 0 | 0 | 113.2 | Q132 R136 G137 L138 R142 T143 W144 | Q132-C140 HydrophobicContact CB-CB 3.88Å; R136-C140 HydrophobicContact CB-CB 4.19Å; G137-C140 PolarHBondContact O-N 2.87Å; G137-C140 PolarHBondContact O-SG 3.06Å; L138-C140 PolarHBondContact O-N 3.06Å; L138-C140 VanDerWaalsContact O-N 3.15Å; C140-R142 VanDerWaalsContact C-N 3.32Å; C140-R142 PolarHBondContact O-N 2.87Å; C140-T143 PolarHBondContact O-N 3.18Å; C140-W144 HydrophobicContact CB-CZ2 4.04Å; C140-W144 PolarHBondContact O-N 3.32Å; C140-W144 WeakPolarHBondContact SG-CH2 3.42Å; C140-W144 WeakPolarHBondContact SG-CZ2 3.29Å |
| 141 | F | 94.6 | Very high | 91.2 | Very high | 13 Ų | 13 | 73.6 Ų | 73.6 | 6% | 0.057 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.7 | -37.8 | -176.1 | -175.5 | -118.5 | 0 | 0 | 0 | 112.5 | V28 F51 L55 A63 F65 L138 A139 T143 W144 L145 | V28-F141 HydrophobicContact CB-CE2 4.3Å; V28-F141 HydrophobicContact CG2-CE2 4.38Å; F51-F141 HydrophobicContact CZ-CB 4.27Å; L55-F141 HydrophobicContact CD1-CB 3.96Å; L55-F141 HydrophobicContact CD1-CD1 4.04Å; L55-F141 HydrophobicContact CD1-CD2 3.83Å; L55-F141 HydrophobicContact CD1-CE2 4.4Å; L55-F141 HydrophobicContact CD1-CG 3.66Å; L55-F141 HydrophobicContact CD2-CB 4.33Å; L55-F141 HydrophobicContact CD2-CD1 3.83Å; L55-F141 HydrophobicContact CD2-CE1 4.46Å; L55-F141 HydrophobicContact CD2-CG 4.15Å; A63-F141 HydrophobicContact CB-CD1 4.46Å; A63-F141 HydrophobicContact CB-CE1 3.59Å; A63-F141 HydrophobicContact CB-CZ 3.89Å; F65-F141 HydrophobicContact CB-CE2 3.62Å; F65-F141 HydrophobicContact CB-CZ 3.81Å; F65-F141 AromaticContact CD2-CE2 3.95Å; F65-F141 HydrophobicContact CD2-CE2 3.95Å; F65-F141 HydrophobicContact CG-CD2 4.5Å; F65-F141 AromaticContact CG-CE2 3.91Å; F65-F141 HydrophobicContact CG-CE2 3.91Å; L138-F141 VanDerWaalsContact O-CB 3.32Å; L138-F141 WeakPolarHBondContact O-CB 3.07Å; L138-F141 PolarHBondContact O-N 3.1Å; A139-F141 VanDerWaalsContact C-N 3.27Å; A139-F141 PolarHBondContact O-N 3.44Å; F141-T143 VanDerWaalsContact C-N 3.29Å; F141-T143 PolarHBondContact O-N 3.49Å; F141-W144 AromaticContact CD2-CE3 3.7Å; F141-W144 HydrophobicContact CD2-CE3 3.7Å; F141-W144 HydrophobicContact CD2-CZ3 4.24Å; F141-W144 HydrophobicContact CE2-CE3 4.47Å; F141-W144 WeakPolarHBondContact O-CA 3.42Å; F141-W144 WeakPolarHBondContact O-CB 3.4Å; F141-W144 PolarHBondContact O-N 2.72Å; F141-L145 HydrophobicContact CD1-CD1 3.87Å; F141-L145 HydrophobicContact CD1-CG 4.21Å; F141-L145 HydrophobicContact CE1-CD1 3.42Å; F141-L145 VanDerWaalsContact CE1-CD1 3.42Å; F141-L145 HydrophobicContact CE1-CD2 4.05Å; F141-L145 HydrophobicContact CE1-CG 3.71Å; F141-L145 HydrophobicContact CE2-CD2 4.36Å; F141-L145 HydrophobicContact CE2-CG 4.24Å; F141-L145 HydrophobicContact CZ-CD1 3.95Å; F141-L145 HydrophobicContact CZ-CD2 3.68Å; F141-L145 HydrophobicContact CZ-CG 3.71Å; F141-L145 PolarHBondContact O-N 3.15Å |
| 142 | R | 91.3 | Very high | 89.1 | Confident | 193 Ų | 193 | 71.3 Ų | 71.3 | 73% | 0.728 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -56.5 | -43.8 | 175.9 | -67.5 | -176.6 | 179.2 | -175.8 | -0.7 | 112.1 | C140 W144 L145 D146 | C140-R142 VanDerWaalsContact C-N 3.32Å; C140-R142 PolarHBondContact O-N 2.87Å; R142-W144 VanDerWaalsContact C-N 3.25Å; R142-W144 PolarHBondContact O-N 3.05Å; R142-L145 PolarHBondContact O-N 3.39Å; R142-D146 VanDerWaalsContact O-CG 3.29Å; R142-D146 PolarHBondContact O-N 2.83Å |
| 143 | T | 93.3 | Very high | 86.3 | Confident | 71 Ų | 71 | 76.9 Ų | 76.9 | 44% | 0.436 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.2 | -31.4 | 177.4 | -50 | 0 | 0 | 0 | 0 | 112.1 | C140 F141 A147 | C140-T143 PolarHBondContact O-N 3.18Å; F141-T143 VanDerWaalsContact C-N 3.29Å; F141-T143 PolarHBondContact O-N 3.49Å; T143-A147 WeakPolarHBondContact O-CB 3.5Å; T143-A147 PolarHBondContact O-N 3.37Å |
| 144 | W | 95.4 | Very high | 83.6 | Confident | 1 Ų | 1 | 84.6 Ų | 84.6 | 0% | 0.004 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -72.7 | -41.3 | 175.7 | -54.1 | -21.5 | 0 | 0 | 0 | 111.8 | V28 F51 F65 I117 I125 Q132 I133 C140 F141 R142 A147 A148 | V28-W144 HydrophobicContact CG1-CB 4.18Å; V28-W144 HydrophobicContact CG1-CE3 4.5Å; V28-W144 HydrophobicContact CG2-CB 4.47Å; F51-W144 HydrophobicContact CE1-CH2 4.17Å; F51-W144 AromaticContact CE1-CZ3 3.81Å; F51-W144 HydrophobicContact CE1-CZ3 3.81Å; F51-W144 AromaticContact CZ-CH2 3.8Å; F51-W144 HydrophobicContact CZ-CH2 3.8Å; F51-W144 AromaticContact CZ-CZ3 3.59Å; F51-W144 HydrophobicContact CZ-CZ3 3.59Å; F65-W144 HydrophobicContact CE2-CE3 4.46Å; F65-W144 HydrophobicContact CE2-CZ3 4.22Å; F65-W144 HydrophobicContact CZ-CZ3 4.27Å; I117-W144 HydrophobicContact CB-CD2 4.49Å; I117-W144 HydrophobicContact CD1-CE3 4.16Å; I117-W144 HydrophobicContact CD1-CH2 3.85Å; I117-W144 HydrophobicContact CD1-CZ2 4.17Å; I117-W144 HydrophobicContact CD1-CZ3 3.84Å; I117-W144 HydrophobicContact CG1-CD2 4.08Å; I117-W144 HydrophobicContact CG1-CE3 4.22Å; I117-W144 HydrophobicContact CG1-CH2 4.08Å; I117-W144 HydrophobicContact CG1-CZ2 3.86Å; I117-W144 HydrophobicContact CG1-CZ3 4.24Å; I117-W144 HydrophobicContact CG2-CB 4.19Å; I117-W144 HydrophobicContact CG2-CD2 3.86Å; I117-W144 HydrophobicContact CG2-CE3 4Å; I117-W144 HydrophobicContact CG2-CG 3.92Å; I125-W144 HydrophobicContact CG2-CB 4.39Å; I125-W144 HydrophobicContact CG2-CG 4.48Å; Q132-W144 HydrophobicContact CB-CZ2 4.14Å; I133-W144 HydrophobicContact CD1-CH2 4Å; I133-W144 HydrophobicContact CG1-CH2 3.72Å; I133-W144 HydrophobicContact CG1-CZ2 4.36Å; C140-W144 HydrophobicContact CB-CZ2 4.04Å; C140-W144 PolarHBondContact O-N 3.32Å; C140-W144 WeakPolarHBondContact SG-CH2 3.42Å; C140-W144 WeakPolarHBondContact SG-CZ2 3.29Å; F141-W144 AromaticContact CD2-CE3 3.7Å; F141-W144 HydrophobicContact CD2-CE3 3.7Å; F141-W144 HydrophobicContact CD2-CZ3 4.24Å; F141-W144 HydrophobicContact CE2-CE3 4.47Å; F141-W144 WeakPolarHBondContact O-CA 3.42Å; F141-W144 WeakPolarHBondContact O-CB 3.4Å; F141-W144 PolarHBondContact O-N 2.72Å; R142-W144 VanDerWaalsContact C-N 3.25Å; R142-W144 PolarHBondContact O-N 3.05Å; W144-A147 PolarHBondContact O-N 3.13Å; W144-A148 VanDerWaalsContact O-CB 3.26Å; W144-A148 WeakPolarHBondContact O-CB 3.42Å; W144-A148 PolarHBondContact O-N 3.46Å |
| 145 | L | 92.4 | Very high | 80.5 | Confident | 25 Ų | 25 | 87.8 Ų | 87.8 | 13% | 0.131 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -60.1 | -48.2 | 174.8 | -74.5 | 175.1 | 0 | 0 | 0 | 112 | V28 Q64 F141 R142 A147 A148 E149 I150 | V28-L145 HydrophobicContact CG2-CD2 4.05Å; Q64-L145 HydrophobicContact CB-CD2 4.41Å; F141-L145 HydrophobicContact CD1-CD1 3.87Å; F141-L145 HydrophobicContact CD1-CG 4.21Å; F141-L145 HydrophobicContact CE1-CD1 3.42Å; F141-L145 VanDerWaalsContact CE1-CD1 3.42Å; F141-L145 HydrophobicContact CE1-CD2 4.05Å; F141-L145 HydrophobicContact CE1-CG 3.71Å; F141-L145 HydrophobicContact CE2-CD2 4.36Å; F141-L145 HydrophobicContact CE2-CG 4.24Å; F141-L145 HydrophobicContact CZ-CD1 3.95Å; F141-L145 HydrophobicContact CZ-CD2 3.68Å; F141-L145 HydrophobicContact CZ-CG 3.71Å; F141-L145 PolarHBondContact O-N 3.15Å; R142-L145 PolarHBondContact O-N 3.39Å; L145-A147 VanDerWaalsContact C-N 3.29Å; L145-A147 PolarHBondContact O-N 3.2Å; L145-A148 PolarHBondContact O-N 2.88Å; L145-A148 VanDerWaalsContact O-N 3.09Å; L145-E149 PolarHBondContact O-N 3.19Å; L145-E149 VanDerWaalsContact O-N 3.15Å; L145-I150 HydrophobicContact CD2-CB 4.21Å; L145-I150 HydrophobicContact CD2-CG2 4.29Å; L145-I150 PolarHBondContact O-N 3.22Å |
| 146 | D | 90.5 | Very high | 77.6 | Confident | 128 Ų | 128 | 90.7 Ų | 90.7 | 68% | 0.684 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -57.7 | -45.1 | 178.3 | -68.1 | -23.4 | 0 | 0 | 0 | 110.9 | R142 A148 E149 | R142-D146 VanDerWaalsContact O-CG 3.29Å; R142-D146 PolarHBondContact O-N 2.83Å; D146-A148 VanDerWaalsContact C-N 3.31Å; D146-A148 PolarHBondContact O-N 3.22Å; D146-E149 PolarHBondContact O-N 2.95Å |
| 147 | A | 91.1 | Very high | 76.7 | Confident | 42 Ų | 42 | 87.8 Ų | 87.8 | 35% | 0.347 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -69.5 | -29.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | K119 I125 T143 W144 L145 E149 | K119-A147 WeakPolarHBondContact CE-O 3.27Å; I125-A147 HydrophobicContact CG1-CB 4.41Å; I125-A147 HydrophobicContact CG2-CB 3.69Å; T143-A147 WeakPolarHBondContact O-CB 3.5Å; T143-A147 PolarHBondContact O-N 3.37Å; W144-A147 PolarHBondContact O-N 3.13Å; L145-A147 VanDerWaalsContact C-N 3.29Å; L145-A147 PolarHBondContact O-N 3.2Å; A147-E149 PolarHBondContact O-N 3.08Å |
| 148 | A | 87 | Confident | 75.8 | Confident | 14 Ų | 14 | 90.9 Ų | 90.9 | 12% | 0.116 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -78.3 | -9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | V28 K119 I125 W144 L145 D146 I150 | V28-A148 HydrophobicContact CG2-CB 3.83Å; K119-A148 HydrophobicContact CG-CB 4.35Å; I125-A148 HydrophobicContact CD1-CB 3.79Å; W144-A148 VanDerWaalsContact O-CB 3.26Å; W144-A148 WeakPolarHBondContact O-CB 3.42Å; W144-A148 PolarHBondContact O-N 3.46Å; L145-A148 PolarHBondContact O-N 2.88Å; L145-A148 VanDerWaalsContact O-N 3.09Å; D146-A148 VanDerWaalsContact C-N 3.31Å; D146-A148 PolarHBondContact O-N 3.22Å; A148-I150 HydrophobicContact CB-CB 4.45Å; A148-I150 HydrophobicContact CB-CD1 3.7Å; A148-I150 HydrophobicContact CB-CG1 3.77Å; A148-I150 PolarHBondContact O-N 3.42Å; A148-I150 VanDerWaalsContact O-N 3.13Å |
| 149 | E | 85.5 | Confident | 74.7 | Confident | 133 Ų | 133 | 92.2 Ų | 92.2 | 62% | 0.621 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 28.6 | -173.5 | -57.7 | 178.2 | 171.2 | 0 | 0 | 112 | L145 D146 A147 F151 | L145-E149 PolarHBondContact O-N 3.19Å; L145-E149 VanDerWaalsContact O-N 3.15Å; D146-E149 PolarHBondContact O-N 2.95Å; A147-E149 PolarHBondContact O-N 3.08Å; E149-F151 HydrophobicContact CB-CE2 3.97Å; E149-F151 WeakPolarHBondContact O-CD2 3.47Å; E149-F151 PolarHBondContact O-N 2.84Å |
| 150 | I | 70.9 | Confident | 73.6 | Confident | 36 Ų | 36 | 93.8 Ų | 93.8 | 19% | 0.185 | 49% | 0.485 | C | S | . | . | trans | -79.4 | 84.4 | 173.6 | -64.6 | 169.7 | 0 | 0 | 0 | 106.1 | V28 Q64 L145 A148 Q152 | V28-I150 HydrophobicContact CG2-CD1 3.74Å; Q64-I150 HydrophobicContact CB-CG2 4.17Å; Q64-I150 HydrophobicContact CG-CG2 4.2Å; L145-I150 HydrophobicContact CD2-CB 4.21Å; L145-I150 HydrophobicContact CD2-CG2 4.29Å; L145-I150 PolarHBondContact O-N 3.22Å; A148-I150 HydrophobicContact CB-CB 4.45Å; A148-I150 HydrophobicContact CB-CD1 3.7Å; A148-I150 HydrophobicContact CB-CG1 3.77Å; A148-I150 PolarHBondContact O-N 3.42Å; A148-I150 VanDerWaalsContact O-N 3.13Å; I150-Q152 PolarHBondContact O-N 2.7Å | ||
| 151 | F | 60.6 | Low | 72.2 | Confident | 166 Ų | 166 | 99.6 Ų | 99.6 | 73% | 0.728 | 52% | 0.515 | S | S | * | . | trans | -68.1 | 114.5 | 173 | -63 | -76.1 | 0 | 0 | 0 | 108.1 | E149 N153 | E149-F151 HydrophobicContact CB-CE2 3.97Å; E149-F151 WeakPolarHBondContact O-CD2 3.47Å; E149-F151 PolarHBondContact O-N 2.84Å; F151-N153 PolarHBondContact O-N 3.13Å | ||
| 152 | Q | 53.9 | Low | 70.7 | Confident | 80 Ų | 80 | 105.4 Ų | 105.4 | 37% | 0.374 | 55% | 0.546 | S | S | . | . | trans | -59.8 | 107.7 | 159.7 | -69.1 | -163.7 | -15.4 | 0 | 0 | 106.1 | Q64 I150 F154 | Q64-Q152 VanDerWaalsContact OE1-NE2 3.09Å; I150-Q152 PolarHBondContact O-N 2.7Å; Q152-F154 HydrophobicContact CB-CD2 3.64Å; Q152-F154 HydrophobicContact CB-CE2 3.68Å; Q152-F154 HydrophobicContact CG-CE2 4.34Å; Q152-F154 PolarHBondContact O-N 3.46Å | ||
| 153 | N | 39.7 | Very low | 69.3 | Low | 155 Ų | 155 | 99.1 Ų | 99.1 | 83% | 0.829 | 53% | 0.533 | S | S | * | . | trans | -64.3 | 76.9 | 159.4 | -82.4 | -33 | 0 | 0 | 0 | 106.5 | F151 K155 | F151-N153 PolarHBondContact O-N 3.13Å; N153-K155 PolarHBondContact O-N 2.96Å | ||
| 154 | F | 40.6 | Very low | 67.4 | Low | 167 Ų | 167 | 101.3 Ų | 101.3 | 73% | 0.732 | 54% | 0.54 | S | S | * | . | trans | -61.9 | 91.6 | 157.4 | -80.5 | -80.2 | 0 | 0 | 0 | 105.4 | Q152 A156 | Q152-F154 HydrophobicContact CB-CD2 3.64Å; Q152-F154 HydrophobicContact CB-CE2 3.68Å; Q152-F154 HydrophobicContact CG-CE2 4.34Å; Q152-F154 PolarHBondContact O-N 3.46Å; F154-A156 VanDerWaalsContact C-N 3.34Å; F154-A156 PolarHBondContact O-N 3.36Å; F154-A156 VanDerWaalsContact O-N 3.1Å | ||
| 155 | K | 31.3 | Very low | 65.1 | Low | 201 Ų | 201 | 109.7 Ų | 109.7 | 87% | 0.874 | 59% | 0.585 | S | S | * | * | trans | -64.3 | 108.4 | 154.1 | -78.7 | -172.9 | 176.2 | -179.7 | 0 | 105.3 | N153 | N153-K155 PolarHBondContact O-N 2.96Š| ||
| 156 | A | 37.8 | Very low | 62.6 | Low | 169 Ų | 169 | 117.4 Ų | 117.4 | 100% | 1.397 | 63% | 0.626 | S | S | * | * | trans | -54.2 | 0 | 165.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | F154 | F154-A156 VanDerWaalsContact C-N 3.34Å; F154-A156 PolarHBondContact O-N 3.36Å; F154-A156 VanDerWaalsContact O-N 3.1Å |
Retrieved 156 of 156 residues in 515.4 ms
(Link to these results)