| 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 | 50.4 | Low | 84.3 | Confident | 239 Ų | 239 | 106.5 Ų | 106.5 | 100% | 1.177 | 56% | 0.559 | S | S | * | * | 0 | 134.7 | 0 | -68 | 162 | 175.8 | 0 | 0 | 106.9 | |||||
| 2 | V | 59.9 | Low | 85.4 | Confident | 144 Ų | 144 | 97.7 Ų | 97.7 | 87% | 0.873 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -77 | 126.6 | 164.6 | -179.4 | 0 | 0 | 0 | 0 | 106 | ||
| 3 | M | 69.2 | Low | 86.4 | Confident | 155 Ų | 155 | 100.2 Ų | 100.2 | 76% | 0.764 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -78.3 | 130.3 | 170.3 | -80 | -166.9 | -74 | 0 | 0 | 108.8 | ||
| 4 | E | 82.9 | Confident | 87.2 | Confident | 181 Ų | 181 | 98.3 Ų | 98.3 | 85% | 0.846 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 151.3 | 170.8 | -61.5 | -179.4 | 144.1 | 0 | 0 | 110.2 | P6 | E4-P6 WeakPolarHBondContact O-CD 3.5Š|
| 5 | K | 86.8 | Confident | 87.9 | Confident | 128 Ų | 128 | 92.9 Ų | 92.9 | 56% | 0.557 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 120.2 | 177.4 | -175.8 | 172.2 | 175.6 | 176.7 | 0 | 108.5 | D88 | K5-D88 IonicContact NZ-OD1 2.68Å; K5-D88 PolarHBondContact NZ-OD1 2.88Å; K5-D88 IonicContact NZ-OD2 2.72Å; K5-D88 PolarHBondContact NZ-OD2 3.14Å |
| 6 | P | 92.9 | Very high | 88.6 | Confident | 40 Ų | 40 | 87.6 Ų | 87.6 | 26% | 0.26 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 148.3 | -179.1 | 27.4 | -35 | 0 | 0 | 0 | 110.9 | E4 L10 V11 | E4-P6 WeakPolarHBondContact O-CD 3.5Å; P6-L10 HydrophobicContact CB-CD2 3.96Å; P6-L10 HydrophobicContact CB-CG 4.35Å; P6-V11 HydrophobicContact CB-CG2 3.89Å; P6-V11 HydrophobicContact CG-CG2 3.59Å |
| 7 | S | 96.1 | Very high | 89.2 | Confident | 64 Ų | 64 | 89.6 Ų | 89.6 | 45% | 0.448 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 152.7 | 176 | 65.4 | 0 | 0 | 0 | 0 | 111.5 | L9 L10 V11 | S7-L9 PolarHBondContact O-N 2.79Å; S7-L10 WeakPolarHBondContact O-CA 3.46Å; S7-L10 WeakPolarHBondContact O-CB 3.33Å; S7-L10 PolarHBondContact O-N 3.05Å; S7-L10 WeakPolarHBondContact OG-CB 3.22Å; S7-L10 PolarHBondContact OG-N 3.39Å; S7-V11 PolarHBondContact O-N 2.89Å |
| 8 | P | 97.1 | Very high | 89.7 | Confident | 39 Ų | 39 | 89.3 Ų | 89.3 | 25% | 0.253 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -53.6 | -39.6 | 178.3 | -27.8 | 35.2 | 0 | 0 | 0 | 113.2 | L10 V11 G12 A82 A84 V90 | P8-L10 PolarHBondContact O-N 2.97Å; P8-V11 PolarHBondContact O-N 2.87Å; P8-G12 PolarHBondContact O-N 3.08Å; P8-A82 WeakPolarHBondContact O-CB 3.13Å; P8-A84 HydrophobicContact CG-CB 3.76Å; P8-V90 HydrophobicContact CB-CG1 4Å; P8-V90 HydrophobicContact CB-CG2 4.05Å |
| 9 | L | 97.3 | Very high | 90.1 | Very high | 68 Ų | 68 | 84.6 Ų | 84.6 | 36% | 0.356 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.6 | -35.9 | 176.1 | -172.5 | 61.8 | 0 | 0 | 0 | 113.2 | S7 R13 | S7-L9 PolarHBondContact O-N 2.79Å; L9-R13 HydrophobicContact CD1-CG 4.36Å; L9-R13 VanDerWaalsContact O-CB 3.31Å; L9-R13 WeakPolarHBondContact O-CB 3.47Å; L9-R13 VanDerWaalsContact O-CG 3.23Å; L9-R13 WeakPolarHBondContact O-CG 3.25Å; L9-R13 PolarHBondContact O-N 3.01Å; L9-R13 VanDerWaalsContact O-N 3.12Å |
| 10 | L | 97.2 | Very high | 90.6 | Very high | 96 Ų | 96 | 80.9 Ų | 80.9 | 50% | 0.503 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -71.4 | -43.8 | 174.5 | 179.3 | 58.9 | 0 | 0 | 0 | 111 | P6 S7 P8 E14 | P6-L10 HydrophobicContact CB-CD2 3.96Å; P6-L10 HydrophobicContact CB-CG 4.35Å; S7-L10 WeakPolarHBondContact O-CA 3.46Å; S7-L10 WeakPolarHBondContact O-CB 3.33Å; S7-L10 PolarHBondContact O-N 3.05Å; S7-L10 WeakPolarHBondContact OG-CB 3.22Å; S7-L10 PolarHBondContact OG-N 3.39Å; P8-L10 PolarHBondContact O-N 2.97Å; L10-E14 HydrophobicContact CD1-CG 4.27Å; L10-E14 WeakPolarHBondContact O-CB 3.45Å; L10-E14 PolarHBondContact O-N 2.94Å |
| 11 | V | 97.2 | Very high | 90.9 | Very high | 18 Ų | 18 | 79.9 Ų | 79.9 | 11% | 0.109 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -58.7 | -51.8 | 175.7 | 175.7 | 0 | 0 | 0 | 0 | 110.6 | P6 S7 P8 R13 E14 F15 V90 L114 F124 | P6-V11 HydrophobicContact CB-CG2 3.89Å; P6-V11 HydrophobicContact CG-CG2 3.59Å; S7-V11 PolarHBondContact O-N 2.89Å; P8-V11 PolarHBondContact O-N 2.87Å; V11-R13 PolarHBondContact O-N 2.95Å; V11-E14 PolarHBondContact O-N 3.18Å; V11-F15 VanDerWaalsContact O-CB 3.23Å; V11-F15 WeakPolarHBondContact O-CB 3.19Å; V11-F15 PolarHBondContact O-N 2.77Å; V11-V90 HydrophobicContact CG1-CG2 4.38Å; V11-L114 HydrophobicContact CG1-CD1 3.98Å; V11-F124 HydrophobicContact CG1-CD2 3.92Å; V11-F124 HydrophobicContact CG1-CE2 3.92Å; V11-F124 HydrophobicContact CG1-CG 4.32Å; V11-F124 HydrophobicContact CG1-CZ 4.32Å; V11-F124 HydrophobicContact CG2-CE2 4.06Å; V11-F124 HydrophobicContact CG2-CZ 4.45Å |
| 12 | G | 97.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.8 | -44.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | P8 F15 V16 | P8-G12 PolarHBondContact O-N 3.08Å; G12-F15 PolarHBondContact O-N 3.35Å; G12-V16 VanDerWaalsContact O-CB 3.31Å; G12-V16 WeakPolarHBondContact O-CB 3.39Å; G12-V16 VanDerWaalsContact O-CG2 3.3Å; G12-V16 WeakPolarHBondContact O-CG2 3.4Å; G12-V16 PolarHBondContact O-N 3.08Å |
| 13 | R | 98 | Very high | 94.9 | Very high | 131 Ų | 131 | 63.9 Ų | 63.9 | 49% | 0.494 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66 | -42.2 | 177.9 | -74.4 | 176.4 | 175.3 | -170.8 | -1.6 | 113 | L9 V11 R17 V80 | L9-R13 HydrophobicContact CD1-CG 4.36Å; L9-R13 VanDerWaalsContact O-CB 3.31Å; L9-R13 WeakPolarHBondContact O-CB 3.47Å; L9-R13 VanDerWaalsContact O-CG 3.23Å; L9-R13 WeakPolarHBondContact O-CG 3.25Å; L9-R13 PolarHBondContact O-N 3.01Å; L9-R13 VanDerWaalsContact O-N 3.12Å; V11-R13 PolarHBondContact O-N 2.95Å; R13-R17 WeakPolarHBondContact O-CB 3.33Å; R13-R17 PolarHBondContact O-N 2.82Å; R13-V80 HydrophobicContact CG-CB 4.36Å; R13-V80 HydrophobicContact CG-CG1 4.11Å |
| 14 | E | 97.9 | Very high | 96.1 | Very high | 73 Ų | 73 | 59.3 Ų | 59.3 | 34% | 0.341 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -70.4 | -37.5 | 176.6 | -87.4 | -64.2 | 120.2 | 0 | 0 | 112.6 | L10 V11 R17 Q18 | L10-E14 HydrophobicContact CD1-CG 4.27Å; L10-E14 WeakPolarHBondContact O-CB 3.45Å; L10-E14 PolarHBondContact O-N 2.94Å; V11-E14 PolarHBondContact O-N 3.18Å; E14-R17 PolarHBondContact O-N 3.45Å; E14-R17 IonicContact OE1-CZ 3.35Å; E14-R17 IonicContact OE1-NE 2.66Å; E14-R17 PolarHBondContact OE1-NE 2.74Å; E14-R17 IonicContact OE1-NH2 2.73Å; E14-R17 IonicContact OE2-CZ 2.63Å; E14-R17 IonicContact OE2-NE 2.7Å; E14-R17 PolarHBondContact OE2-NE 3.34Å; E14-R17 IonicContact OE2-NH2 3.11Å; E14-R17 PolarHBondContact OE2-NH2 3.31Å; E14-Q18 WeakPolarHBondContact O-CB 3.46Å; E14-Q18 WeakPolarHBondContact O-CG 3.33Å; E14-Q18 PolarHBondContact O-N 2.81Å; E14-Q18 PolarHBondContact O-NE2 2.87Å; E14-Q18 PolarHBondContact OE2-NE2 2.8Å |
| 15 | F | 98.4 | Very high | 96.8 | Very high | 18 Ų | 18 | 58.7 Ų | 58.7 | 8% | 0.079 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.4 | -53.6 | 171.1 | 166 | -101.2 | 0 | 0 | 0 | 111.1 | V11 G12 R17 Q18 Y19 F33 F112 L114 V126 | V11-F15 VanDerWaalsContact O-CB 3.23Å; V11-F15 WeakPolarHBondContact O-CB 3.19Å; V11-F15 PolarHBondContact O-N 2.77Å; G12-F15 PolarHBondContact O-N 3.35Å; F15-R17 VanDerWaalsContact C-N 3.31Å; F15-R17 PolarHBondContact O-N 2.92Å; F15-Q18 CarbonylContact O-C 3.59Å; F15-Q18 PolarHBondContact O-N 2.97Å; F15-Y19 HydrophobicContact CE1-CD2 4.46Å; F15-Y19 HydrophobicContact CE2-CD2 4.04Å; F15-Y19 AromaticContact CZ-CD2 3.58Å; F15-Y19 HydrophobicContact CZ-CD2 3.58Å; F15-Y19 HydrophobicContact CZ-CE2 4.4Å; F15-Y19 HydrophobicContact CZ-CG 4.07Å; F15-Y19 WeakPolarHBondContact O-CB 3.47Å; F15-Y19 PolarHBondContact O-N 3.4Å; F15-F33 HydrophobicContact CD2-CD1 4.45Å; F15-F33 HydrophobicContact CD2-CE1 4.48Å; F15-F33 HydrophobicContact CE2-CD1 4.09Å; F15-F33 HydrophobicContact CE2-CE1 4.42Å; F15-F33 HydrophobicContact CE2-CG 4.35Å; F15-F112 HydrophobicContact CE1-CB 4.15Å; F15-F112 AromaticContact CE1-CD1 3.62Å; F15-F112 HydrophobicContact CE1-CD1 3.62Å; F15-F112 AromaticContact CE1-CD2 3.7Å; F15-F112 HydrophobicContact CE1-CD2 3.7Å; F15-F112 AromaticContact CE1-CE1 3.73Å; F15-F112 HydrophobicContact CE1-CE1 3.73Å; F15-F112 AromaticContact CE1-CE2 3.8Å; F15-F112 HydrophobicContact CE1-CE2 3.8Å; F15-F112 AromaticContact CE1-CG 3.57Å; F15-F112 HydrophobicContact CE1-CG 3.57Å; F15-F112 AromaticContact CE1-CZ 3.79Å; F15-F112 HydrophobicContact CE1-CZ 3.79Å; F15-F112 AromaticContact CZ-CD1 3.68Å; F15-F112 HydrophobicContact CZ-CD1 3.68Å; F15-F112 AromaticContact CZ-CE1 3.66Å; F15-F112 HydrophobicContact CZ-CE1 3.66Å; F15-F112 HydrophobicContact CZ-CG 4.12Å; F15-F112 HydrophobicContact CZ-CZ 4.08Å; F15-L114 HydrophobicContact CB-CD1 3.88Å; F15-L114 HydrophobicContact CD1-CD1 3.98Å; F15-L114 HydrophobicContact CD1-CD2 3.97Å; F15-L114 HydrophobicContact CD1-CG 4.47Å; F15-L114 HydrophobicContact CD2-CD1 4.41Å; F15-L114 HydrophobicContact CD2-CD2 3.94Å; F15-L114 HydrophobicContact CE1-CD2 3.97Å; F15-L114 HydrophobicContact CE2-CD2 3.94Å; F15-L114 HydrophobicContact CG-CD1 3.79Å; F15-L114 HydrophobicContact CG-CD2 3.96Å; F15-L114 HydrophobicContact CZ-CD2 3.96Å; F15-V126 HydrophobicContact CD2-CG2 4.46Å; F15-V126 HydrophobicContact CE2-CG2 3.37Å; F15-V126 HydrophobicContact CZ-CG2 3.41Å; F15-V126 VanDerWaalsContact CZ-CG2 3.41Å |
| 16 | V | 98.6 | Very high | 97.2 | Very high | 7 Ų | 7 | 53.6 Ų | 53.6 | 4% | 0.042 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -55 | -46.7 | 177.8 | 157.6 | 0 | 0 | 0 | 0 | 111.4 | G12 Q18 Y19 Y20 I77 V80 V92 V94 | G12-V16 VanDerWaalsContact O-CB 3.31Å; G12-V16 WeakPolarHBondContact O-CB 3.39Å; G12-V16 VanDerWaalsContact O-CG2 3.3Å; G12-V16 WeakPolarHBondContact O-CG2 3.4Å; G12-V16 PolarHBondContact O-N 3.08Å; V16-Q18 VanDerWaalsContact C-N 3.31Å; V16-Q18 PolarHBondContact O-N 2.78Å; V16-Y19 PolarHBondContact O-N 2.7Å; V16-Y20 HydrophobicContact CG1-CD2 3.9Å; V16-Y20 HydrophobicContact CG1-CE2 3.79Å; V16-Y20 VanDerWaalsContact O-CD2 3.24Å; V16-Y20 WeakPolarHBondContact O-CD2 3.43Å; V16-Y20 PolarHBondContact O-N 3.34Å; V16-I77 HydrophobicContact CG1-CG1 4.31Å; V16-I77 HydrophobicContact CG1-CG2 4.33Å; V16-V80 HydrophobicContact CB-CG2 4.49Å; V16-V80 HydrophobicContact CG1-CG2 3.88Å; V16-V80 HydrophobicContact CG2-CG1 4.06Å; V16-V80 HydrophobicContact CG2-CG2 4.43Å; V16-V92 HydrophobicContact CG2-CG1 3.86Å; V16-V94 HydrophobicContact CG2-CG2 3.54Å |
| 17 | R | 98.3 | Very high | 97.4 | Very high | 122 Ų | 122 | 52.6 Ų | 52.6 | 46% | 0.46 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.1 | -41.7 | 176.5 | -169.1 | -165.3 | 60.3 | 63 | -0.7 | 111.6 | R13 E14 F15 T21 | R13-R17 WeakPolarHBondContact O-CB 3.33Å; R13-R17 PolarHBondContact O-N 2.82Å; E14-R17 PolarHBondContact O-N 3.45Å; E14-R17 IonicContact OE1-CZ 3.35Å; E14-R17 IonicContact OE1-NE 2.66Å; E14-R17 PolarHBondContact OE1-NE 2.74Å; E14-R17 IonicContact OE1-NH2 2.73Å; E14-R17 IonicContact OE2-CZ 2.63Å; E14-R17 IonicContact OE2-NE 2.7Å; E14-R17 PolarHBondContact OE2-NE 3.34Å; E14-R17 IonicContact OE2-NH2 3.11Å; E14-R17 PolarHBondContact OE2-NH2 3.31Å; F15-R17 VanDerWaalsContact C-N 3.31Å; F15-R17 PolarHBondContact O-N 2.92Å; R17-T21 WeakPolarHBondContact O-CB 3.16Å; R17-T21 PolarHBondContact O-N 2.68Å; R17-T21 PolarHBondContact O-OG1 3.09Å |
| 18 | Q | 98.1 | Very high | 97.4 | Very high | 85 Ų | 85 | 52.6 Ų | 52.6 | 40% | 0.397 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -72.5 | -45 | 179.5 | -70.9 | 171.6 | 50.8 | 0 | 0 | 112.2 | E14 F15 V16 T21 L22 F33 | E14-Q18 WeakPolarHBondContact O-CB 3.46Å; E14-Q18 WeakPolarHBondContact O-CG 3.33Å; E14-Q18 PolarHBondContact O-N 2.81Å; E14-Q18 PolarHBondContact O-NE2 2.87Å; E14-Q18 PolarHBondContact OE2-NE2 2.8Å; F15-Q18 CarbonylContact O-C 3.59Å; F15-Q18 PolarHBondContact O-N 2.97Å; V16-Q18 VanDerWaalsContact C-N 3.31Å; V16-Q18 PolarHBondContact O-N 2.78Å; Q18-T21 PolarHBondContact O-N 3.24Å; Q18-L22 WeakPolarHBondContact O-CB 3.45Å; Q18-L22 PolarHBondContact O-N 3.44Å; Q18-F33 HydrophobicContact CB-CE1 4.5Å; Q18-F33 HydrophobicContact CB-CZ 4.08Å |
| 19 | Y | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -55.8 | -59.6 | -178.9 | -177.3 | -83.9 | 0 | 0 | 0 | 111.4 | F15 V16 T21 L22 L23 L30 F33 Y34 Q110 F112 D129 | F15-Y19 HydrophobicContact CE1-CD2 4.46Å; F15-Y19 HydrophobicContact CE2-CD2 4.04Å; F15-Y19 AromaticContact CZ-CD2 3.58Å; F15-Y19 HydrophobicContact CZ-CD2 3.58Å; F15-Y19 HydrophobicContact CZ-CE2 4.4Å; F15-Y19 HydrophobicContact CZ-CG 4.07Å; F15-Y19 WeakPolarHBondContact O-CB 3.47Å; F15-Y19 PolarHBondContact O-N 3.4Å; V16-Y19 PolarHBondContact O-N 2.7Å; Y19-T21 PolarHBondContact O-N 3.01Å; Y19-L22 PolarHBondContact O-N 3.5Å; Y19-L22 VanDerWaalsContact O-N 3.12Å; Y19-L23 HydrophobicContact CE1-CD2 4.39Å; Y19-L23 PolarHBondContact O-N 3.18Å; Y19-L30 HydrophobicContact CD2-CD1 4.11Å; Y19-L30 HydrophobicContact CE2-CD1 4.06Å; Y19-L30 HydrophobicContact CE2-CD2 4.23Å; Y19-L30 HydrophobicContact CE2-CG 4.28Å; Y19-L30 HydrophobicContact CG-CD1 4.39Å; Y19-F33 HydrophobicContact CD2-CD2 4.13Å; Y19-F33 HydrophobicContact CD2-CE2 4.39Å; Y19-Y34 WeakPolarHBondContact CE2-OH 3.29Å; Y19-Y34 PolarHBondContact OH-OH 3.28Å; Y19-Q110 PolarHBondContact OH-NE2 2.88Å; Y19-F112 HydrophobicContact CD1-CZ 4.04Å; Y19-F112 AromaticContact CD2-CE1 3.95Å; Y19-F112 HydrophobicContact CD2-CE1 3.95Å; Y19-F112 HydrophobicContact CD2-CZ 4.14Å; Y19-F112 HydrophobicContact CE1-CE1 4.34Å; Y19-F112 AromaticContact CE1-CZ 3.96Å; Y19-F112 HydrophobicContact CE1-CZ 3.96Å; Y19-F112 AromaticContact CE2-CE1 3.63Å; Y19-F112 HydrophobicContact CE2-CE1 3.63Å; Y19-F112 HydrophobicContact CE2-CZ 4.04Å; Y19-F112 HydrophobicContact CG-CE1 4.42Å; Y19-F112 HydrophobicContact CG-CZ 4.15Å; Y19-F112 AromaticContact CZ-CE1 3.87Å; Y19-F112 AromaticContact CZ-CZ 3.96Å; Y19-D129 PolarHBondContact OH-OD2 3.28Å |
| 20 | Y | 98.3 | Very high | 97.5 | Very high | 9 Ų | 9 | 51.2 Ų | 51.2 | 4% | 0.035 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -73.4 | -25.6 | -177.5 | -57.7 | -68.3 | 0 | 0 | 0 | 113.4 | V16 L22 L23 N24 T75 I77 V94 F108 Q110 | V16-Y20 HydrophobicContact CG1-CD2 3.9Å; V16-Y20 HydrophobicContact CG1-CE2 3.79Å; V16-Y20 VanDerWaalsContact O-CD2 3.24Å; V16-Y20 WeakPolarHBondContact O-CD2 3.43Å; V16-Y20 PolarHBondContact O-N 3.34Å; Y20-L22 VanDerWaalsContact C-N 3.28Å; Y20-L22 PolarHBondContact O-N 3.31Å; Y20-L23 HydrophobicContact CD1-CD2 3.94Å; Y20-N24 PolarHBondContact O-N 3.45Å; Y20-T75 HydrophobicContact CD1-CG2 3.82Å; Y20-T75 HydrophobicContact CE1-CG2 4.43Å; Y20-T75 HydrophobicContact CG-CG2 4.27Å; Y20-I77 HydrophobicContact CD2-CD1 3.52Å; Y20-I77 HydrophobicContact CD2-CG1 4.01Å; Y20-I77 HydrophobicContact CE2-CD1 3.37Å; Y20-I77 HydrophobicContact CE2-CG1 4.15Å; Y20-I77 HydrophobicContact CG-CD1 4.18Å; Y20-V94 HydrophobicContact CE2-CG1 4.1Å; Y20-F108 HydrophobicContact CE1-CZ 4.19Å; Y20-F108 AromaticContact CZ-CZ 3.93Å; Y20-F108 WeakPolarHBondContact OH-CE2 3.48Å; Y20-Q110 VanDerWaalsContact CZ-OE1 3.3Å; Y20-Q110 PolarHBondContact OH-OE1 2.95Å |
| 21 | T | 97.5 | Very high | 97.5 | Very high | 60 Ų | 60 | 48.5 Ų | 48.5 | 37% | 0.368 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.4 | -38 | 169.5 | -63.2 | 0 | 0 | 0 | 0 | 111 | R17 Q18 Y19 K25 | R17-T21 WeakPolarHBondContact O-CB 3.16Å; R17-T21 PolarHBondContact O-N 2.68Å; R17-T21 PolarHBondContact O-OG1 3.09Å; Q18-T21 PolarHBondContact O-N 3.24Å; Y19-T21 PolarHBondContact O-N 3.01Å; T21-K25 HydrophobicContact CG2-CD 4.05Å; T21-K25 WeakPolarHBondContact O-CB 3.28Å; T21-K25 WeakPolarHBondContact O-CG 3.5Å; T21-K25 PolarHBondContact O-N 3.04Å |
| 22 | L | 97.6 | Very high | 97.5 | Very high | 46 Ų | 46 | 55.3 Ų | 55.3 | 24% | 0.241 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -76.9 | -40.6 | 178.2 | -167 | 64.1 | 0 | 0 | 0 | 111.7 | Q18 Y19 Y20 N24 K25 A26 F29 L30 F33 | Q18-L22 WeakPolarHBondContact O-CB 3.45Å; Q18-L22 PolarHBondContact O-N 3.44Å; Y19-L22 PolarHBondContact O-N 3.5Å; Y19-L22 VanDerWaalsContact O-N 3.12Å; Y20-L22 VanDerWaalsContact C-N 3.28Å; Y20-L22 PolarHBondContact O-N 3.31Å; L22-N24 PolarHBondContact O-N 2.95Å; L22-K25 PolarHBondContact O-N 3.24Å; L22-K25 VanDerWaalsContact O-N 3.17Å; L22-A26 HydrophobicContact CD1-CB 4Å; L22-A26 CarbonylContact O-C 3.55Å; L22-A26 PolarHBondContact O-N 2.77Å; L22-F29 HydrophobicContact CD1-CB 4.33Å; L22-F29 HydrophobicContact CD2-CB 4.21Å; L22-L30 HydrophobicContact CB-CD1 4.39Å; L22-F33 HydrophobicContact CB-CE2 4.26Å; L22-F33 HydrophobicContact CD2-CD2 4.3Å; L22-F33 HydrophobicContact CD2-CE2 3.61Å; L22-F33 HydrophobicContact CD2-CZ 4.24Å |
| 23 | L | 97.2 | Very high | 97.5 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -54.6 | -38.8 | 175.4 | -171.9 | 69.6 | 0 | 0 | 0 | 112.6 | Y19 Y20 L30 F70 C73 L98 | Y19-L23 HydrophobicContact CE1-CD2 4.39Å; Y19-L23 PolarHBondContact O-N 3.18Å; Y20-L23 HydrophobicContact CD1-CD2 3.94Å; L23-L30 HydrophobicContact CB-CD1 4.24Å; L23-L30 HydrophobicContact CD1-CD1 4.41Å; L23-L30 HydrophobicContact CD1-CD2 3.73Å; L23-F70 HydrophobicContact CD1-CD1 3.99Å; L23-F70 HydrophobicContact CD1-CD2 3.74Å; L23-F70 HydrophobicContact CD1-CE1 4.06Å; L23-F70 HydrophobicContact CD1-CE2 3.8Å; L23-F70 HydrophobicContact CD1-CG 3.83Å; L23-F70 HydrophobicContact CD1-CZ 3.96Å; L23-F70 HydrophobicContact CD2-CE1 4.48Å; L23-F70 HydrophobicContact CG-CD1 4.34Å; L23-F70 HydrophobicContact CG-CG 4.48Å; L23-C73 VanDerWaalsContact CD2-SG 3.6Å; L23-C73 HydrophobicContact CG-CB 4.42Å; L23-L98 HydrophobicContact CD2-CD1 4.09Å |
| 24 | N | 95.3 | Very high | 97.5 | Very high | 59 Ų | 59 | 51.2 Ų | 51.2 | 32% | 0.316 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -73 | -49.1 | 174.5 | -171 | -36.6 | 0 | 0 | 0 | 112.2 | Y20 L22 C73 | Y20-N24 PolarHBondContact O-N 3.45Å; L22-N24 PolarHBondContact O-N 2.95Å; N24-C73 WeakPolarHBondContact CB-O 3.39Å; N24-C73 PolarHBondContact ND2-O 2.94Å |
| 25 | K | 95.9 | Very high | 97.4 | Very high | 168 Ų | 168 | 48.6 Ų | 48.6 | 73% | 0.73 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -88.5 | -32.5 | -165.6 | -68.4 | -176.8 | 178.6 | -175.5 | 0 | 115.8 | T21 L22 | T21-K25 HydrophobicContact CG2-CD 4.05Å; T21-K25 WeakPolarHBondContact O-CB 3.28Å; T21-K25 WeakPolarHBondContact O-CG 3.5Å; T21-K25 PolarHBondContact O-N 3.04Å; L22-K25 PolarHBondContact O-N 3.24Å; L22-K25 VanDerWaalsContact O-N 3.17Å |
| 26 | A | 96.8 | Very high | 97.3 | Very high | 21 Ų | 21 | 58.5 Ų | 58.5 | 17% | 0.174 | 27% | 0.267 | C | S | . | . | trans | -162.3 | 68.8 | -174 | 0 | 0 | 0 | 0 | 0 | 110.1 | L22 D28 F29 | L22-A26 HydrophobicContact CD1-CB 4Å; L22-A26 CarbonylContact O-C 3.55Å; L22-A26 PolarHBondContact O-N 2.77Å; A26-D28 VanDerWaalsContact CA-OD1 3.27Å; A26-D28 WeakPolarHBondContact CA-OD1 3.24Å; A26-D28 WeakPolarHBondContact CB-OD1 3.13Å; A26-D28 PolarHBondContact O-N 3.04Å; A26-F29 HydrophobicContact CB-CD2 3.84Å; A26-F29 HydrophobicContact CB-CE2 4.46Å; A26-F29 PolarHBondContact O-N 2.8Å | ||
| 27 | P | 96.2 | Very high | 97.2 | Very high | 20 Ų | 20 | 64.2 Ų | 64.2 | 13% | 0.13 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -64.2 | -19.7 | -178.5 | 25.6 | -33.9 | 0 | 0 | 0 | 113 | F29 L30 M66 F70 | P27-F29 PolarHBondContact O-N 2.93Å; P27-L30 WeakPolarHBondContact O-CB 3.43Å; P27-L30 PolarHBondContact O-N 2.81Å; P27-M66 HydrophobicContact CB-CE 4.36Å; P27-F70 HydrophobicContact CB-CB 3.83Å; P27-F70 HydrophobicContact CB-CD2 4.38Å; P27-F70 HydrophobicContact CB-CG 4.49Å; P27-F70 HydrophobicContact CG-CB 3.86Å |
| 28 | D | 96.6 | Very high | 97.2 | Very high | 64 Ų | 64 | 58.4 Ų | 58.4 | 34% | 0.342 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -56.2 | -32.9 | 170.1 | 64.2 | -50 | 0 | 0 | 0 | 112.2 | A26 H31 M66 | A26-D28 VanDerWaalsContact CA-OD1 3.27Å; A26-D28 WeakPolarHBondContact CA-OD1 3.24Å; A26-D28 WeakPolarHBondContact CB-OD1 3.13Å; A26-D28 PolarHBondContact O-N 3.04Å; D28-H31 PolarHBondContact O-CE1 3.17Å; D28-H31 PolarHBondContact O-ND1 2.79Å; D28-M66 VanDerWaalsContact CA-CE 3.48Å; D28-M66 HydrophobicContact CB-CE 4.23Å; D28-M66 HydrophobicContact CB-SD 4.26Å |
| 29 | F | 97.6 | Very high | 97.2 | Very high | 78 Ų | 78 | 55 Ų | 55 | 34% | 0.342 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -89.9 | -3.1 | 175.8 | -61.6 | -49.6 | 0 | 0 | 0 | 115 | L22 A26 P27 H31 R32 | L22-F29 HydrophobicContact CD1-CB 4.33Å; L22-F29 HydrophobicContact CD2-CB 4.21Å; A26-F29 HydrophobicContact CB-CD2 3.84Å; A26-F29 HydrophobicContact CB-CE2 4.46Å; A26-F29 PolarHBondContact O-N 2.8Å; P27-F29 PolarHBondContact O-N 2.93Å; F29-H31 PolarHBondContact O-N 2.88Å; F29-R32 VanDerWaalsContact CD1-NH1 3.29Å; F29-R32 VanDerWaalsContact CE1-NH2 3.33Å; F29-R32 VanDerWaalsContact O-CB 3.32Å; F29-R32 WeakPolarHBondContact O-CB 3.45Å; F29-R32 WeakPolarHBondContact O-CG 3.37Å; F29-R32 PolarHBondContact O-N 2.95Å |
| 30 | L | 97.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -58.8 | -33.4 | -178.2 | -163.1 | 80.7 | 0 | 0 | 0 | 112.4 | Y19 L22 L23 P27 R32 F33 Y34 V65 | Y19-L30 HydrophobicContact CD2-CD1 4.11Å; Y19-L30 HydrophobicContact CE2-CD1 4.06Å; Y19-L30 HydrophobicContact CE2-CD2 4.23Å; Y19-L30 HydrophobicContact CE2-CG 4.28Å; Y19-L30 HydrophobicContact CG-CD1 4.39Å; L22-L30 HydrophobicContact CB-CD1 4.39Å; L23-L30 HydrophobicContact CB-CD1 4.24Å; L23-L30 HydrophobicContact CD1-CD1 4.41Å; L23-L30 HydrophobicContact CD1-CD2 3.73Å; P27-L30 WeakPolarHBondContact O-CB 3.43Å; P27-L30 PolarHBondContact O-N 2.81Å; L30-R32 PolarHBondContact O-N 3.24Å; L30-F33 HydrophobicContact CD1-CD2 4.05Å; L30-F33 HydrophobicContact CD1-CE2 4.11Å; L30-F33 HydrophobicContact CG-CD2 4.42Å; L30-F33 PolarHBondContact O-N 3.4Å; L30-F33 VanDerWaalsContact O-N 3.09Å; L30-Y34 HydrophobicContact CG-CE2 4.4Å; L30-Y34 WeakPolarHBondContact O-CD2 3.44Å; L30-Y34 VanDerWaalsContact O-CE2 3.3Å; L30-Y34 WeakPolarHBondContact O-CE2 3.28Å; L30-V65 HydrophobicContact CB-CG1 4.27Å; L30-V65 HydrophobicContact CD2-CG1 4.01Å; L30-V65 HydrophobicContact CD2-CG2 4.05Å |
| 31 | H | 97.7 | Very high | 97.1 | Very high | 38 Ų | 38 | 55.8 Ų | 55.8 | 18% | 0.176 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -54.7 | -20.4 | 177.1 | 73.5 | -96.6 | 0 | 0 | 0 | 113.9 | D28 F29 F33 Y34 Q58 H62 | D28-H31 PolarHBondContact O-CE1 3.17Å; D28-H31 PolarHBondContact O-ND1 2.79Å; F29-H31 PolarHBondContact O-N 2.88Å; H31-F33 VanDerWaalsContact C-N 3.26Å; H31-F33 PolarHBondContact O-N 3.21Å; H31-Y34 PolarHBondContact O-N 2.91Å; H31-Q58 HydrophobicContact CB-CG 4.35Å; H31-Q58 WeakPolarHBondContact O-CG 3.13Å; H31-Q58 PolarHBondContact O-NE2 3.31Å; H31-H62 HydrophobicContact CB-CB 3.67Å; H31-H62 AromaticContact CG-CD2 3.78Å; H31-H62 AromaticContact ND1-CD2 3.26Å; H31-H62 PolarHBondContact ND1-CD2 3.44Å; H31-H62 VanDerWaalsContact ND1-CD2 3.26Å; H31-H62 AromaticContact ND1-CG 3.94Å; H31-H62 AromaticContact ND1-NE2 3.85Å |
| 32 | R | 97.3 | Very high | 96.9 | Very high | 162 Ų | 162 | 53.1 Ų | 53.1 | 61% | 0.611 | 25% | 0.25 | S | C | * | . | G | 310 helix | trans | -72.1 | -13.9 | 179.9 | -63.8 | -179.5 | 172.7 | 165.7 | -1.1 | 114.2 | F29 L30 Y34 | F29-R32 VanDerWaalsContact CD1-NH1 3.29Å; F29-R32 VanDerWaalsContact CE1-NH2 3.33Å; F29-R32 VanDerWaalsContact O-CB 3.32Å; F29-R32 WeakPolarHBondContact O-CB 3.45Å; F29-R32 WeakPolarHBondContact O-CG 3.37Å; F29-R32 PolarHBondContact O-N 2.95Å; L30-R32 PolarHBondContact O-N 3.24Å; R32-Y34 VanDerWaalsContact C-N 3.27Å |
| 33 | F | 98.1 | Very high | 96.4 | Very high | 38 Ų | 38 | 51.1 Ų | 51.1 | 17% | 0.167 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -74.4 | -16.3 | 171.2 | -73.4 | -63.1 | 0 | 0 | 0 | 113.4 | F15 Q18 Y19 L22 L30 H31 Y125 V126 | F15-F33 HydrophobicContact CD2-CD1 4.45Å; F15-F33 HydrophobicContact CD2-CE1 4.48Å; F15-F33 HydrophobicContact CE2-CD1 4.09Å; F15-F33 HydrophobicContact CE2-CE1 4.42Å; F15-F33 HydrophobicContact CE2-CG 4.35Å; Q18-F33 HydrophobicContact CB-CE1 4.5Å; Q18-F33 HydrophobicContact CB-CZ 4.08Å; Y19-F33 HydrophobicContact CD2-CD2 4.13Å; Y19-F33 HydrophobicContact CD2-CE2 4.39Å; L22-F33 HydrophobicContact CB-CE2 4.26Å; L22-F33 HydrophobicContact CD2-CD2 4.3Å; L22-F33 HydrophobicContact CD2-CE2 3.61Å; L22-F33 HydrophobicContact CD2-CZ 4.24Å; L30-F33 HydrophobicContact CD1-CD2 4.05Å; L30-F33 HydrophobicContact CD1-CE2 4.11Å; L30-F33 HydrophobicContact CG-CD2 4.42Å; L30-F33 PolarHBondContact O-N 3.4Å; L30-F33 VanDerWaalsContact O-N 3.09Å; H31-F33 VanDerWaalsContact C-N 3.26Å; H31-F33 PolarHBondContact O-N 3.21Å; F33-Y125 CarbonylContact O-C 3.52Å; F33-Y125 WeakPolarHBondContact O-CA 3.31Å; F33-Y125 WeakPolarHBondContact O-CB 3.35Å; F33-V126 HydrophobicContact CB-CG2 3.96Å; F33-V126 PolarHBondContact O-N 3.33Å |
| 34 | Y | 98.4 | Very high | 95.6 | Very high | 6 Ų | 6 | 52.4 Ų | 52.4 | 2% | 0.024 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 150.9 | -169.4 | -52.6 | -95.2 | 0 | 0 | 0 | 112.5 | Y19 L30 H31 R32 Y40 Q58 I61 V126 D129 | Y19-Y34 WeakPolarHBondContact CE2-OH 3.29Å; Y19-Y34 PolarHBondContact OH-OH 3.28Å; L30-Y34 HydrophobicContact CG-CE2 4.4Å; L30-Y34 WeakPolarHBondContact O-CD2 3.44Å; L30-Y34 VanDerWaalsContact O-CE2 3.3Å; L30-Y34 WeakPolarHBondContact O-CE2 3.28Å; H31-Y34 PolarHBondContact O-N 2.91Å; R32-Y34 VanDerWaalsContact C-N 3.27Å; Y34-Y40 AromaticContact CE1-CD2 3.91Å; Y34-Y40 HydrophobicContact CE1-CD2 3.91Å; Y34-Y40 AromaticContact CZ-CD2 3.84Å; Y34-Y40 VanDerWaalsContact OH-CD2 3.29Å; Y34-Y40 WeakPolarHBondContact OH-CD2 3.35Å; Y34-Y40 VanDerWaalsContact OH-CE2 3.29Å; Y34-Y40 WeakPolarHBondContact OH-CE2 3.36Å; Y34-Q58 PolarHBondContact O-NE2 2.96Å; Y34-I61 HydrophobicContact CD1-CD1 3.68Å; Y34-I61 HydrophobicContact CD1-CG2 4.14Å; Y34-I61 HydrophobicContact CD2-CG2 3.77Å; Y34-I61 HydrophobicContact CE1-CD1 4.39Å; Y34-I61 HydrophobicContact CE1-CG2 4.1Å; Y34-I61 HydrophobicContact CE2-CG2 3.74Å; Y34-I61 HydrophobicContact CG-CD1 3.82Å; Y34-I61 HydrophobicContact CG-CG2 3.95Å; Y34-V126 HydrophobicContact CD1-CB 3.84Å; Y34-V126 HydrophobicContact CD1-CG1 3.84Å; Y34-V126 HydrophobicContact CE1-CB 4.02Å; Y34-V126 HydrophobicContact CE1-CG1 3.68Å; Y34-D129 HydrophobicContact CE1-CB 3.96Å; Y34-D129 PolarHBondContact OH-OD2 3.02Å |
| 35 | G | 96.2 | Very high | 94.7 | Very high | 18 Ų | 18 | 54.1 Ų | 54.1 | 19% | 0.186 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | -169.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S38 Q58 | G35-S38 PolarHBondContact N-OG 3.42Å; G35-Q58 PolarHBondContact O-N 2.95Å |
| 36 | R | 96.1 | Very high | 93.7 | Very high | 226 Ų | 226 | 48.9 Ų | 48.9 | 85% | 0.853 | 24% | 0.242 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -73.9 | -27.4 | 177.9 | -57.2 | -179.3 | -162.9 | 160.8 | 6.2 | 113.1 | G57 | R36-G57 WeakPolarHBondContact O-CA 3.19Å |
| 37 | N | 96 | Very high | 92.5 | Very high | 127 Ų | 127 | 54.9 Ų | 54.9 | 68% | 0.679 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 24.2 | -174 | -57.5 | 27.5 | 0 | 0 | 0 | 111.3 | H127 | N37-H127 PolarHBondContact O-CE1 3.11Å; N37-H127 VanDerWaalsContact O-CE1 3.26Å; N37-H127 PolarHBondContact O-ND1 3.45Å |
| 38 | S | 98.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 146.4 | -179 | -61.3 | 0 | 0 | 0 | 0 | 111.5 | G35 Y56 G57 V126 H127 | G35-S38 PolarHBondContact N-OG 3.42Å; S38-Y56 CarbonylContact O-C 3.55Å; S38-Y56 WeakPolarHBondContact O-CA 3.33Å; S38-G57 PolarHBondContact O-N 3.05Å; S38-V126 VanDerWaalsContact CB-O 3.29Å; S38-V126 WeakPolarHBondContact CB-O 3.3Å; S38-V126 PolarHBondContact OG-O 3.24Å; S38-H127 CarbonylContact C-O 3.53Å; S38-H127 WeakPolarHBondContact CA-O 3.29Å |
| 39 | S | 98.3 | Very high | 90.6 | Very high | 14 Ų | 14 | 57.5 Ų | 57.5 | 10% | 0.098 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 145.6 | 169.1 | 69.4 | 0 | 0 | 0 | 0 | 111.2 | H127 N128 D129 | S39-H127 PolarHBondContact N-O 3.01Å; S39-N128 PolarHBondContact OG-ND2 3.17Å; S39-D129 PolarHBondContact O-N 3.41Å |
| 40 | Y | 98.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 123.3 | 176.7 | 177.6 | -97.2 | 0 | 0 | 0 | 111.2 | Y34 H42 A54 V55 I61 K64 V65 L68 D129 | Y34-Y40 AromaticContact CE1-CD2 3.91Å; Y34-Y40 HydrophobicContact CE1-CD2 3.91Å; Y34-Y40 AromaticContact CZ-CD2 3.84Å; Y34-Y40 VanDerWaalsContact OH-CD2 3.29Å; Y34-Y40 WeakPolarHBondContact OH-CD2 3.35Å; Y34-Y40 VanDerWaalsContact OH-CE2 3.29Å; Y34-Y40 WeakPolarHBondContact OH-CE2 3.36Å; Y40-H42 HydrophobicContact CE1-CB 3.69Å; Y40-H42 HydrophobicContact CE2-CB 4.23Å; Y40-H42 AromaticContact CZ-CG 3.92Å; Y40-H42 WeakPolarHBondContact OH-CB 3.41Å; Y40-H42 VanDerWaalsContact OH-CG 3.31Å; Y40-H42 PolarHBondContact OH-ND1 3.47Å; Y40-A54 WeakPolarHBondContact O-CA 3.42Å; Y40-V55 HydrophobicContact CD1-CG2 4.06Å; Y40-V55 PolarHBondContact N-O 3.37Å; Y40-V55 PolarHBondContact O-N 3.25Å; Y40-I61 HydrophobicContact CD1-CG2 4.37Å; Y40-I61 HydrophobicContact CD2-CG2 4.2Å; Y40-I61 HydrophobicContact CG-CG2 3.97Å; Y40-K64 HydrophobicContact CD1-CB 4.37Å; Y40-K64 HydrophobicContact CD1-CG 3.9Å; Y40-K64 HydrophobicContact CE1-CB 4.32Å; Y40-K64 HydrophobicContact CE1-CG 3.68Å; Y40-V65 HydrophobicContact CE1-CG2 4.06Å; Y40-V65 HydrophobicContact CE2-CG2 4.3Å; Y40-L68 HydrophobicContact CE1-CD1 4.2Å; Y40-D129 WeakPolarHBondContact CA-O 3.17Å; Y40-D129 HydrophobicContact CD2-CB 3.86Å; Y40-D129 WeakPolarHBondContact CD2-OD2 3.25Å; Y40-D129 WeakPolarHBondContact CE2-OD2 3.48Å |
| 41 | V | 96 | Very high | 89 | Confident | 25 Ų | 25 | 65.2 Ų | 65.2 | 15% | 0.152 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 141.1 | 165.2 | 61 | 0 | 0 | 0 | 0 | 109.1 | A52 A54 D129 I130 F131 | V41-A52 WeakPolarHBondContact CG2-O 3.45Å; V41-A54 HydrophobicContact CB-CB 4.12Å; V41-D129 PolarHBondContact N-O 2.82Å; V41-I130 HydrophobicContact CG1-CB 4.14Å; V41-I130 HydrophobicContact CG1-CG1 4.25Å; V41-I130 HydrophobicContact CG1-CG2 3.86Å; V41-F131 PolarHBondContact O-N 3.36Å |
| 42 | H | 93.8 | Very high | 88.4 | Confident | 4 Ų | 4 | 64.3 Ų | 64.3 | 2% | 0.019 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 62.7 | -171.9 | -162.7 | 90 | 0 | 0 | 0 | 111.5 | Y40 L68 F70 F131 | Y40-H42 HydrophobicContact CE1-CB 3.69Å; Y40-H42 HydrophobicContact CE2-CB 4.23Å; Y40-H42 AromaticContact CZ-CG 3.92Å; Y40-H42 WeakPolarHBondContact OH-CB 3.41Å; Y40-H42 VanDerWaalsContact OH-CG 3.31Å; Y40-H42 PolarHBondContact OH-ND1 3.47Å; H42-L68 HydrophobicContact CB-CD1 4.04Å; H42-F70 AromaticContact CD2-CZ 3.82Å; H42-F70 AromaticContact NE2-CE1 3.86Å; H42-F70 AromaticContact NE2-CZ 3.49Å; H42-F70 WeakPolarHBondContact NE2-CZ 3.45Å; H42-F131 HydrophobicContact CB-CB 4.39Å; H42-F131 AromaticContact CD2-CD1 3.91Å; H42-F131 AromaticContact CE1-CD1 3.63Å; H42-F131 AromaticContact CE1-CD2 3.36Å; H42-F131 WeakPolarHBondContact CE1-CD2 3.26Å; H42-F131 AromaticContact CE1-CE1 3.91Å; H42-F131 AromaticContact CE1-CE2 3.63Å; H42-F131 AromaticContact CE1-CG 3.38Å; H42-F131 WeakPolarHBondContact CE1-CG 3.43Å; H42-F131 AromaticContact CE1-CZ 3.91Å; H42-F131 AromaticContact CG-CD1 3.81Å; H42-F131 AromaticContact CG-CG 3.94Å; H42-F131 WeakPolarHBondContact ND1-CB 3.35Å; H42-F131 AromaticContact ND1-CD1 3.65Å; H42-F131 AromaticContact ND1-CD2 3.72Å; H42-F131 AromaticContact ND1-CG 3.31Å; H42-F131 VanDerWaalsContact ND1-CG 3.31Å; H42-F131 WeakPolarHBondContact ND1-CG 3.4Å; H42-F131 AromaticContact NE2-CD1 3.84Å; H42-F131 AromaticContact NE2-CE1 3.8Å; H42-F131 AromaticContact NE2-CZ 3.91Å |
| 43 | G | 85.6 | Confident | 88.1 | Confident | 4 Ų | 4 | 64.8 Ų | 64.8 | 4% | 0.041 | 36% | 0.359 | C | S | . | . | trans | 54.2 | -160.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | F131 E136 | G43-F131 PolarHBondContact N-O 3.14Å; G43-E136 WeakPolarHBondContact CA-OE2 3.34Å | ||
| 44 | G | 80.3 | Confident | 87.9 | Confident | 28 Ų | 28 | 64.4 Ų | 64.4 | 29% | 0.289 | 36% | 0.362 | S | S | . | . | trans | 85.1 | 140.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A52 E136 | G44-A52 VanDerWaalsContact O-CB 3.29Å; G44-A52 WeakPolarHBondContact O-CB 3.45Å; G44-A52 PolarHBondContact O-N 2.93Å; G44-E136 PolarHBondContact N-OE2 2.99Å | ||
| 45 | I | 76.8 | Confident | 87.9 | Confident | 96 Ų | 96 | 65.7 Ų | 65.7 | 49% | 0.492 | 37% | 0.371 | S | S | . | . | B | Isolated β-bridge | trans | -94.1 | 140.3 | 171.6 | -53.2 | 178 | 0 | 0 | 0 | 107.9 | K50 E136 | I45-K50 CarbonylContact C-O 3.6Å; I45-K50 WeakPolarHBondContact CA-O 3.44Å; I45-E136 HydrophobicContact CG1-CG 4.49Å |
| 46 | D | 75.5 | Confident | 88 | Confident | 57 Ų | 57 | 72 Ų | 72 | 31% | 0.305 | 39% | 0.39 | S | S | . | . | trans | -81.5 | 170.6 | 176.6 | 86.2 | -8.8 | 0 | 0 | 0 | 111.9 | S48 G49 K50 | D46-S48 VanDerWaalsContact CG-OG 3.28Å; D46-S48 PolarHBondContact O-N 3.5Å; D46-S48 VanDerWaalsContact OD1-CA 3.27Å; D46-S48 WeakPolarHBondContact OD1-CA 3.2Å; D46-S48 WeakPolarHBondContact OD1-CB 3.41Å; D46-S48 PolarHBondContact OD1-N 3.18Å; D46-S48 PolarHBondContact OD1-OG 3.43Å; D46-S48 PolarHBondContact OD2-OG 3.32Å; D46-S48 VanDerWaalsContact OD2-OG 3.1Å; D46-G49 PolarHBondContact O-N 2.88Å; D46-G49 VanDerWaalsContact O-N 3.1Å; D46-G49 PolarHBondContact OD1-N 2.68Å; D46-K50 PolarHBondContact N-O 3.27Å; D46-K50 PolarHBondContact OD1-N 3.17Å | ||
| 47 | P | 71.9 | Confident | 88 | Confident | 148 Ų | 148 | 61.6 Ų | 61.6 | 96% | 0.961 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | 1.9 | 178 | -22.7 | 35.1 | 0 | 0 | 0 | 115.7 | ||
| 48 | S | 77.3 | Confident | 88.1 | Confident | 76 Ų | 76 | 59.2 Ų | 59.2 | 53% | 0.531 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | 4.4 | 175.5 | 81 | 0 | 0 | 0 | 0 | 113.7 | D46 | D46-S48 VanDerWaalsContact CG-OG 3.28Å; D46-S48 PolarHBondContact O-N 3.5Å; D46-S48 VanDerWaalsContact OD1-CA 3.27Å; D46-S48 WeakPolarHBondContact OD1-CA 3.2Å; D46-S48 WeakPolarHBondContact OD1-CB 3.41Å; D46-S48 PolarHBondContact OD1-N 3.18Å; D46-S48 PolarHBondContact OD1-OG 3.43Å; D46-S48 PolarHBondContact OD2-OG 3.32Å; D46-S48 VanDerWaalsContact OD2-OG 3.1Å |
| 49 | G | 75.1 | Confident | 88.1 | Confident | 62 Ų | 62 | 63 Ų | 63 | 64% | 0.639 | 37% | 0.369 | S | S | * | . | S | Bend | trans | 83.1 | 18.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | D46 | D46-G49 PolarHBondContact O-N 2.88Å; D46-G49 VanDerWaalsContact O-N 3.1Å; D46-G49 PolarHBondContact OD1-N 2.68Å |
| 50 | K | 80.5 | Confident | 88.1 | Confident | 139 Ų | 139 | 67.4 Ų | 67.4 | 60% | 0.604 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -113.5 | 151.6 | -176.7 | -63.8 | -178.7 | -178.2 | 179.6 | 0 | 112.4 | I45 D46 A52 | I45-K50 CarbonylContact C-O 3.6Å; I45-K50 WeakPolarHBondContact CA-O 3.44Å; D46-K50 PolarHBondContact N-O 3.27Å; D46-K50 PolarHBondContact OD1-N 3.17Å; K50-A52 PolarHBondContact O-N 3.34Å |
| 51 | L | 80.4 | Confident | 88.1 | Confident | 101 Ų | 101 | 67.4 Ų | 67.4 | 53% | 0.529 | 39% | 0.388 | S | S | . | . | B | Isolated β-bridge | trans | -56.1 | 131.5 | 172.5 | -68.5 | 172.3 | 0 | 0 | 0 | 110.7 | ||
| 52 | A | 86 | Confident | 88.2 | Confident | 19 Ų | 19 | 69.6 Ų | 69.6 | 16% | 0.157 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 138.4 | -173 | 0 | 0 | 0 | 0 | 0 | 113.4 | V41 G44 K50 | V41-A52 WeakPolarHBondContact CG2-O 3.45Å; G44-A52 VanDerWaalsContact O-CB 3.29Å; G44-A52 WeakPolarHBondContact O-CB 3.45Å; G44-A52 PolarHBondContact O-N 2.93Å; K50-A52 PolarHBondContact O-N 3.34Å |
| 53 | E | 90.4 | Very high | 88.4 | Confident | 173 Ų | 173 | 77.1 Ų | 77.1 | 81% | 0.808 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 151.1 | 176.9 | -62.2 | -170.7 | 149.2 | 0 | 0 | 113.1 | ||
| 54 | A | 95 | Very high | 88.8 | Confident | 29 Ų | 29 | 79.3 Ų | 79.3 | 24% | 0.24 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 139.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y40 V41 Y56 | Y40-A54 WeakPolarHBondContact O-CA 3.42Å; V41-A54 HydrophobicContact CB-CB 4.12Å; A54-Y56 HydrophobicContact CB-CE2 4.41Å; A54-Y56 WeakPolarHBondContact O-CD2 3.39Å; A54-Y56 WeakPolarHBondContact O-CE2 3.48Å |
| 55 | V | 97.2 | Very high | 89.6 | Confident | 33 Ų | 33 | 78 Ų | 78 | 20% | 0.2 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 154.9 | 172.5 | -60.2 | 0 | 0 | 0 | 0 | 111.2 | Y40 E60 I61 K64 | Y40-V55 HydrophobicContact CD1-CG2 4.06Å; Y40-V55 PolarHBondContact N-O 3.37Å; Y40-V55 PolarHBondContact O-N 3.25Å; V55-E60 HydrophobicContact CB-CB 4.06Å; V55-E60 HydrophobicContact CG2-CB 4.45Å; V55-I61 HydrophobicContact CG2-CG1 4.12Å; V55-K64 HydrophobicContact CG1-CB 4.49Å; V55-K64 HydrophobicContact CG2-CB 3.88Å; V55-K64 HydrophobicContact CG2-CG 4.23Å |
| 56 | Y | 98.3 | Very high | 90.5 | Very high | 152 Ų | 152 | 76.8 Ų | 76.8 | 60% | 0.596 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 127.7 | -167.7 | -64.8 | -86.4 | 0 | 0 | 0 | 113.8 | S38 A54 E60 | S38-Y56 CarbonylContact O-C 3.55Å; S38-Y56 WeakPolarHBondContact O-CA 3.33Å; A54-Y56 HydrophobicContact CB-CE2 4.41Å; A54-Y56 WeakPolarHBondContact O-CD2 3.39Å; A54-Y56 WeakPolarHBondContact O-CE2 3.48Å; Y56-E60 PolarHBondContact N-OE2 3.41Å; Y56-E60 WeakPolarHBondContact O-CG 3.25Å |
| 57 | G | 97.4 | Very high | 91.5 | Very high | 7 Ų | 7 | 77.8 Ų | 77.8 | 7% | 0.072 | 43% | 0.429 | C | S | . | . | S | Bend | trans | 79.7 | 147.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | R36 S38 A59 E60 I61 | R36-G57 WeakPolarHBondContact O-CA 3.19Å; S38-G57 PolarHBondContact O-N 3.05Å; G57-A59 PolarHBondContact O-N 3.1Å; G57-E60 PolarHBondContact O-N 3.47Å; G57-I61 VanDerWaalsContact O-CG1 3.32Å; G57-I61 WeakPolarHBondContact O-CG1 3.46Å; G57-I61 PolarHBondContact O-N 3.27Å |
| 58 | Q | 98 | Very high | 92.4 | Very high | 76 Ų | 76 | 73.2 Ų | 73.2 | 36% | 0.355 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -42.4 | -36.5 | -172.3 | 177.5 | 168.7 | 71.3 | 0 | 0 | 116.4 | H31 Y34 G35 H62 | H31-Q58 HydrophobicContact CB-CG 4.35Å; H31-Q58 WeakPolarHBondContact O-CG 3.13Å; H31-Q58 PolarHBondContact O-NE2 3.31Å; Y34-Q58 PolarHBondContact O-NE2 2.96Å; G35-Q58 PolarHBondContact O-N 2.95Å; Q58-H62 VanDerWaalsContact O-CB 3.29Å; Q58-H62 WeakPolarHBondContact O-CB 3.47Å; Q58-H62 PolarHBondContact O-N 3.07Å |
| 59 | A | 97.8 | Very high | 93.2 | Very high | 80 Ų | 80 | 77 Ų | 77 | 66% | 0.661 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -72.6 | -41.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | G57 K63 | G57-A59 PolarHBondContact O-N 3.1Å; A59-K63 PolarHBondContact O-N 3.18Å |
| 60 | E | 97.9 | Very high | 94.1 | Very high | 106 Ų | 106 | 75 Ų | 75 | 50% | 0.495 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -73.4 | -39.5 | 176 | -56.8 | -165.8 | 157.3 | 0 | 0 | 111 | V55 Y56 G57 H62 K63 K64 | V55-E60 HydrophobicContact CB-CB 4.06Å; V55-E60 HydrophobicContact CG2-CB 4.45Å; Y56-E60 PolarHBondContact N-OE2 3.41Å; Y56-E60 WeakPolarHBondContact O-CG 3.25Å; G57-E60 PolarHBondContact O-N 3.47Å; E60-H62 VanDerWaalsContact C-N 3.32Å; E60-H62 PolarHBondContact O-N 3.45Å; E60-K63 WeakPolarHBondContact O-CB 3.14Å; E60-K63 PolarHBondContact O-N 3.18Å; E60-K63 VanDerWaalsContact O-N 3.11Å; E60-K64 PolarHBondContact O-N 3.31Å |
| 61 | I | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -58.4 | -45.8 | 174.2 | -60.1 | 173.4 | 0 | 0 | 0 | 110 | Y34 Y40 V55 G57 K63 K64 V65 | Y34-I61 HydrophobicContact CD1-CD1 3.68Å; Y34-I61 HydrophobicContact CD1-CG2 4.14Å; Y34-I61 HydrophobicContact CD2-CG2 3.77Å; Y34-I61 HydrophobicContact CE1-CD1 4.39Å; Y34-I61 HydrophobicContact CE1-CG2 4.1Å; Y34-I61 HydrophobicContact CE2-CG2 3.74Å; Y34-I61 HydrophobicContact CG-CD1 3.82Å; Y34-I61 HydrophobicContact CG-CG2 3.95Å; Y40-I61 HydrophobicContact CD1-CG2 4.37Å; Y40-I61 HydrophobicContact CD2-CG2 4.2Å; Y40-I61 HydrophobicContact CG-CG2 3.97Å; V55-I61 HydrophobicContact CG2-CG1 4.12Å; G57-I61 VanDerWaalsContact O-CG1 3.32Å; G57-I61 WeakPolarHBondContact O-CG1 3.46Å; G57-I61 PolarHBondContact O-N 3.27Å; I61-K63 PolarHBondContact O-N 3Å; I61-K64 PolarHBondContact O-N 2.81Å; I61-V65 HydrophobicContact CG2-CG2 4.26Å; I61-V65 WeakPolarHBondContact O-CB 3.48Å; I61-V65 VanDerWaalsContact O-CG2 3.27Å; I61-V65 WeakPolarHBondContact O-CG2 3.37Å; I61-V65 PolarHBondContact O-N 2.79Å |
| 62 | H | 98.3 | Very high | 95.3 | Very high | 71 Ų | 71 | 72.2 Ų | 72.2 | 33% | 0.329 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -57.6 | -46.6 | 173.6 | -179.1 | -121.6 | 0 | 0 | 0 | 112.1 | H31 Q58 E60 K64 V65 M66 | H31-H62 HydrophobicContact CB-CB 3.67Å; H31-H62 AromaticContact CG-CD2 3.78Å; H31-H62 AromaticContact ND1-CD2 3.26Å; H31-H62 PolarHBondContact ND1-CD2 3.44Å; H31-H62 VanDerWaalsContact ND1-CD2 3.26Å; H31-H62 AromaticContact ND1-CG 3.94Å; H31-H62 AromaticContact ND1-NE2 3.85Å; Q58-H62 VanDerWaalsContact O-CB 3.29Å; Q58-H62 WeakPolarHBondContact O-CB 3.47Å; Q58-H62 PolarHBondContact O-N 3.07Å; E60-H62 VanDerWaalsContact C-N 3.32Å; E60-H62 PolarHBondContact O-N 3.45Å; H62-K64 PolarHBondContact O-N 2.72Å; H62-V65 PolarHBondContact O-N 2.72Å; H62-M66 WeakPolarHBondContact O-CB 3.46Å; H62-M66 VanDerWaalsContact O-CG 3.28Å; H62-M66 WeakPolarHBondContact O-CG 3.39Å; H62-M66 PolarHBondContact O-N 2.97Å |
| 63 | K | 97.5 | Very high | 95.7 | Very high | 163 Ų | 163 | 71.3 Ų | 71.3 | 71% | 0.709 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -60.5 | -43.8 | 177.3 | -174.1 | -171.8 | 174.2 | -167.1 | 0 | 111.9 | A59 E60 I61 M66 S67 | A59-K63 PolarHBondContact O-N 3.18Å; E60-K63 WeakPolarHBondContact O-CB 3.14Å; E60-K63 PolarHBondContact O-N 3.18Å; E60-K63 VanDerWaalsContact O-N 3.11Å; I61-K63 PolarHBondContact O-N 3Å; K63-M66 PolarHBondContact O-N 3.25Å; K63-S67 PolarHBondContact O-N 3.12Å |
| 64 | K | 96 | Very high | 95.9 | Very high | 49 Ų | 49 | 67.6 Ų | 67.6 | 21% | 0.213 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.8 | -47.5 | 177.9 | -178.9 | 74.9 | 176.5 | -170.2 | 0 | 111.3 | Y40 V55 E60 I61 H62 M66 S67 L68 | Y40-K64 HydrophobicContact CD1-CB 4.37Å; Y40-K64 HydrophobicContact CD1-CG 3.9Å; Y40-K64 HydrophobicContact CE1-CB 4.32Å; Y40-K64 HydrophobicContact CE1-CG 3.68Å; V55-K64 HydrophobicContact CG1-CB 4.49Å; V55-K64 HydrophobicContact CG2-CB 3.88Å; V55-K64 HydrophobicContact CG2-CG 4.23Å; E60-K64 PolarHBondContact O-N 3.31Å; I61-K64 PolarHBondContact O-N 2.81Å; H62-K64 PolarHBondContact O-N 2.72Å; K64-M66 VanDerWaalsContact C-N 3.29Å; K64-M66 PolarHBondContact O-N 2.91Å; K64-S67 WeakPolarHBondContact CA-OG 3.35Å; K64-S67 PolarHBondContact O-N 2.87Å; K64-S67 PolarHBondContact O-OG 2.9Å; K64-L68 HydrophobicContact CG-CD1 4.36Å; K64-L68 WeakPolarHBondContact O-CG 3.11Å; K64-L68 PolarHBondContact O-N 3.39Å |
| 65 | V | 96.4 | Very high | 96 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.2 | -39.1 | 177.1 | 173.3 | 0 | 0 | 0 | 0 | 111.6 | L30 Y40 I61 H62 L68 F70 | L30-V65 HydrophobicContact CB-CG1 4.27Å; L30-V65 HydrophobicContact CD2-CG1 4.01Å; L30-V65 HydrophobicContact CD2-CG2 4.05Å; Y40-V65 HydrophobicContact CE1-CG2 4.06Å; Y40-V65 HydrophobicContact CE2-CG2 4.3Å; I61-V65 HydrophobicContact CG2-CG2 4.26Å; I61-V65 WeakPolarHBondContact O-CB 3.48Å; I61-V65 VanDerWaalsContact O-CG2 3.27Å; I61-V65 WeakPolarHBondContact O-CG2 3.37Å; I61-V65 PolarHBondContact O-N 2.79Å; H62-V65 PolarHBondContact O-N 2.72Å; V65-L68 PolarHBondContact O-N 2.89Å; V65-F70 HydrophobicContact CG1-CD2 4.01Å; V65-F70 HydrophobicContact CG1-CE2 4.13Å |
| 66 | M | 95.9 | Very high | 96.1 | Very high | 72 Ų | 72 | 70.9 Ų | 70.9 | 36% | 0.355 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -70.9 | -33.5 | 173.7 | -65.6 | -64.9 | 92 | 0 | 0 | 113.2 | P27 D28 H62 K63 K64 L68 Q69 | P27-M66 HydrophobicContact CB-CE 4.36Å; D28-M66 VanDerWaalsContact CA-CE 3.48Å; D28-M66 HydrophobicContact CB-CE 4.23Å; D28-M66 HydrophobicContact CB-SD 4.26Å; H62-M66 WeakPolarHBondContact O-CB 3.46Å; H62-M66 VanDerWaalsContact O-CG 3.28Å; H62-M66 WeakPolarHBondContact O-CG 3.39Å; H62-M66 PolarHBondContact O-N 2.97Å; K63-M66 PolarHBondContact O-N 3.25Å; K64-M66 VanDerWaalsContact C-N 3.29Å; K64-M66 PolarHBondContact O-N 2.91Å; M66-L68 VanDerWaalsContact C-N 3.27Å; M66-L68 PolarHBondContact O-N 3.43Å; M66-Q69 PolarHBondContact O-N 3.35Å |
| 67 | S | 94.9 | Very high | 96.1 | Very high | 78 Ų | 78 | 66.5 Ų | 66.5 | 55% | 0.545 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -70 | -22.1 | 174.8 | 71.3 | 0 | 0 | 0 | 0 | 114 | K63 K64 Q69 | K63-S67 PolarHBondContact O-N 3.12Å; K64-S67 WeakPolarHBondContact CA-OG 3.35Å; K64-S67 PolarHBondContact O-N 2.87Å; K64-S67 PolarHBondContact O-OG 2.9Å; S67-Q69 VanDerWaalsContact C-N 3.27Å; S67-Q69 PolarHBondContact O-N 2.86Å |
| 68 | L | 92.6 | Very high | 96.1 | Very high | 51 Ų | 51 | 74.5 Ų | 74.5 | 27% | 0.267 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -6.4 | 176.4 | -70.3 | 167.6 | 0 | 0 | 0 | 113.8 | Y40 H42 K64 V65 M66 F70 | Y40-L68 HydrophobicContact CE1-CD1 4.2Å; H42-L68 HydrophobicContact CB-CD1 4.04Å; K64-L68 HydrophobicContact CG-CD1 4.36Å; K64-L68 WeakPolarHBondContact O-CG 3.11Å; K64-L68 PolarHBondContact O-N 3.39Å; V65-L68 PolarHBondContact O-N 2.89Å; M66-L68 VanDerWaalsContact C-N 3.27Å; M66-L68 PolarHBondContact O-N 3.43Å; L68-F70 HydrophobicContact CB-CD2 4.09Å; L68-F70 HydrophobicContact CB-CE2 3.61Å; L68-F70 HydrophobicContact CB-CZ 3.93Å; L68-F70 HydrophobicContact CD1-CE2 3.79Å; L68-F70 HydrophobicContact CD1-CZ 3.86Å; L68-F70 HydrophobicContact CG-CE2 4.35Å; L68-F70 PolarHBondContact O-N 3.46Å |
| 69 | Q | 93.5 | Very high | 96.1 | Very high | 155 Ų | 155 | 75.8 Ų | 75.8 | 72% | 0.724 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.2 | 55.9 | 173.7 | -60.9 | -176.1 | -8.2 | 0 | 0 | 113.3 | M66 S67 S71 N100 | M66-Q69 PolarHBondContact O-N 3.35Å; S67-Q69 VanDerWaalsContact C-N 3.27Å; S67-Q69 PolarHBondContact O-N 2.86Å; Q69-S71 PolarHBondContact O-N 3.25Å; Q69-N100 PolarHBondContact O-ND2 3.22Å |
| 70 | F | 94.6 | Very high | 96.1 | Very high | 22 Ų | 22 | 72.8 Ų | 72.8 | 10% | 0.096 | 35% | 0.348 | C | S | . | . | trans | -67.1 | 116.2 | 175.1 | -68.1 | -68.8 | 0 | 0 | 0 | 111.2 | L23 P27 H42 V65 L68 C73 N100 | L23-F70 HydrophobicContact CD1-CD1 3.99Å; L23-F70 HydrophobicContact CD1-CD2 3.74Å; L23-F70 HydrophobicContact CD1-CE1 4.06Å; L23-F70 HydrophobicContact CD1-CE2 3.8Å; L23-F70 HydrophobicContact CD1-CG 3.83Å; L23-F70 HydrophobicContact CD1-CZ 3.96Å; L23-F70 HydrophobicContact CD2-CE1 4.48Å; L23-F70 HydrophobicContact CG-CD1 4.34Å; L23-F70 HydrophobicContact CG-CG 4.48Å; P27-F70 HydrophobicContact CB-CB 3.83Å; P27-F70 HydrophobicContact CB-CD2 4.38Å; P27-F70 HydrophobicContact CB-CG 4.49Å; P27-F70 HydrophobicContact CG-CB 3.86Å; H42-F70 AromaticContact CD2-CZ 3.82Å; H42-F70 AromaticContact NE2-CE1 3.86Å; H42-F70 AromaticContact NE2-CZ 3.49Å; H42-F70 WeakPolarHBondContact NE2-CZ 3.45Å; V65-F70 HydrophobicContact CG1-CD2 4.01Å; V65-F70 HydrophobicContact CG1-CE2 4.13Å; L68-F70 HydrophobicContact CB-CD2 4.09Å; L68-F70 HydrophobicContact CB-CE2 3.61Å; L68-F70 HydrophobicContact CB-CZ 3.93Å; L68-F70 HydrophobicContact CD1-CE2 3.79Å; L68-F70 HydrophobicContact CD1-CZ 3.86Å; L68-F70 HydrophobicContact CG-CE2 4.35Å; L68-F70 PolarHBondContact O-N 3.46Å; F70-C73 HydrophobicContact CD1-CB 4.25Å; F70-N100 WeakPolarHBondContact CA-OD1 3.25Å | ||
| 71 | S | 92.9 | Very high | 96.1 | Very high | 48 Ų | 48 | 70.3 Ų | 70.3 | 34% | 0.336 | 34% | 0.339 | S | S | . | . | trans | -144.6 | 130.9 | 175.6 | 57.1 | 0 | 0 | 0 | 0 | 109.6 | Q69 C73 N100 N101 | Q69-S71 PolarHBondContact O-N 3.25Å; S71-C73 PolarHBondContact O-N 2.76Å; S71-N100 PolarHBondContact N-OD1 2.62Å; S71-N100 PolarHBondContact O-OD1 3.03Å; S71-N100 VanDerWaalsContact O-OD1 3.1Å; S71-N101 VanDerWaalsContact O-CA 3.3Å; S71-N101 WeakPolarHBondContact O-CA 3.48Å; S71-N101 PolarHBondContact O-N 2.88Å; S71-N101 PolarHBondContact OG-OD1 2.78Å | ||
| 72 | E | 91.8 | Very high | 96.1 | Very high | 132 Ų | 132 | 70.7 Ų | 70.7 | 62% | 0.617 | 34% | 0.342 | S | S | * | . | S | Bend | trans | 52.1 | 38.2 | -174.1 | -53.7 | -168.9 | 163.9 | 0 | 0 | 112.5 | H74 | E72-H74 PolarHBondContact O-CD2 2.8Å; E72-H74 PolarHBondContact O-N 2.78Å |
| 73 | C | 94.3 | Very high | 96.1 | Very high | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.007 | 35% | 0.352 | C | S | . | . | trans | -69.4 | 100.4 | -174.6 | -177.2 | 0 | 0 | 0 | 0 | 111.1 | L23 N24 F70 S71 S99 | L23-C73 VanDerWaalsContact CD2-SG 3.6Å; L23-C73 HydrophobicContact CG-CB 4.42Å; N24-C73 WeakPolarHBondContact CB-O 3.39Å; N24-C73 PolarHBondContact ND2-O 2.94Å; F70-C73 HydrophobicContact CD1-CB 4.25Å; S71-C73 PolarHBondContact O-N 2.76Å; C73-S99 CarbonylContact C-O 3.15Å; C73-S99 WeakPolarHBondContact CA-O 3.47Å | ||
| 74 | H | 96.1 | Very high | 96.2 | Very high | 95 Ų | 95 | 68.6 Ų | 68.6 | 44% | 0.44 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 129.5 | -176.9 | -74.4 | -68.2 | 0 | 0 | 0 | 111.2 | E72 L98 S99 M105 | E72-H74 PolarHBondContact O-CD2 2.8Å; E72-H74 PolarHBondContact O-N 2.78Å; H74-L98 WeakPolarHBondContact O-CA 3.11Å; H74-S99 PolarHBondContact N-O 2.8Å; H74-S99 PolarHBondContact O-N 2.79Å; H74-M105 HydrophobicContact CB-CE 3.76Å |
| 75 | T | 97.4 | Very high | 96.2 | Very high | 41 Ų | 41 | 69 Ų | 69 | 25% | 0.252 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 138.8 | -176.6 | 42.6 | 0 | 0 | 0 | 0 | 111.7 | Y20 E97 L98 | Y20-T75 HydrophobicContact CD1-CG2 3.82Å; Y20-T75 HydrophobicContact CE1-CG2 4.43Å; Y20-T75 HydrophobicContact CG-CG2 4.27Å; T75-E97 CarbonylContact C-O 3.48Å; T75-E97 WeakPolarHBondContact CA-O 3.11Å; T75-L98 HydrophobicContact CG2-CB 4.16Å; T75-L98 HydrophobicContact CG2-CD1 3.71Å; T75-L98 HydrophobicContact CG2-CG 3.75Å |
| 76 | K | 97.7 | Very high | 96.1 | Very high | 89 Ų | 89 | 76.5 Ų | 76.5 | 39% | 0.387 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 97.2 | 170.8 | -47.5 | -166.9 | -159.3 | 90.1 | 0 | 108.7 | R78 G96 E97 M105 | K76-R78 PolarHBondContact O-N 3.22Å; K76-G96 CarbonylContact O-C 3.57Å; K76-G96 WeakPolarHBondContact O-CA 3.29Å; K76-E97 HydrophobicContact CB-CB 4.23Å; K76-E97 HydrophobicContact CG-CB 4.48Å; K76-E97 PolarHBondContact N-O 3.36Å; K76-E97 IonicContact NZ-OE2 2.66Å; K76-E97 PolarHBondContact NZ-OE2 2.77Å; K76-E97 PolarHBondContact O-N 2.83Å; K76-M105 HydrophobicContact CG-SD 4.24Å; K76-M105 VanDerWaalsContact NZ-CG 3.27Å; K76-M105 PolarHBondContact NZ-SD 3.38Å |
| 77 | I | 98.2 | Very high | 95.9 | Very high | 60 Ų | 60 | 78.5 Ų | 78.5 | 31% | 0.308 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 119.8 | 177.9 | -50.3 | -50.3 | 0 | 0 | 0 | 108.7 | V16 Y20 V80 V94 F108 | V16-I77 HydrophobicContact CG1-CG1 4.31Å; V16-I77 HydrophobicContact CG1-CG2 4.33Å; Y20-I77 HydrophobicContact CD2-CD1 3.52Å; Y20-I77 HydrophobicContact CD2-CG1 4.01Å; Y20-I77 HydrophobicContact CE2-CD1 3.37Å; Y20-I77 HydrophobicContact CE2-CG1 4.15Å; Y20-I77 HydrophobicContact CG-CD1 4.18Å; I77-V80 HydrophobicContact CG2-CG2 3.43Å; I77-V80 VanDerWaalsContact CG2-CG2 3.43Å; I77-V94 HydrophobicContact CD1-CG1 4.08Å; I77-V94 HydrophobicContact CG2-CG1 3.82Å; I77-F108 HydrophobicContact CD1-CZ 3.95Å |
| 78 | R | 97.9 | Very high | 95.8 | Very high | 176 Ų | 176 | 79.6 Ų | 79.6 | 66% | 0.664 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -42.3 | -179.2 | -65.7 | -60.8 | -168.3 | 154.8 | 2.2 | 111.3 | K76 L95 E97 | K76-R78 PolarHBondContact O-N 3.22Å; R78-L95 WeakPolarHBondContact CA-O 3.46Å; R78-L95 WeakPolarHBondContact CB-O 3.48Å; R78-L95 PolarHBondContact N-O 2.74Å; R78-E97 IonicContact CZ-OE1 2.79Å; R78-E97 IonicContact NE-OE1 2.61Å; R78-E97 PolarHBondContact NE-OE1 2.87Å; R78-E97 IonicContact NH2-OE1 3.12Å; R78-E97 PolarHBondContact NH2-OE1 3.32Å |
| 79 | H | 97.6 | Very high | 95.9 | Very high | 103 Ų | 103 | 77.4 Ų | 77.4 | 48% | 0.477 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 150.2 | -179.1 | -161.1 | 61 | 0 | 0 | 0 | 111.9 | D81 L95 | H79-D81 IonicContact CD2-OD1 3.23Å; H79-D81 IonicContact CD2-OD2 2.26Å; H79-D81 PolarHBondContact CD2-OD2 2.87Å; H79-D81 IonicContact CE1-OD1 2.67Å; H79-D81 IonicContact NE2-OD1 3.35Å; H79-D81 PolarHBondContact NE2-OD1 3.39Å; H79-D81 IonicContact NE2-OD2 2.76Å; H79-D81 PolarHBondContact NE2-OD2 3.2Å; H79-L95 HydrophobicContact CB-CB 4.2Å; H79-L95 HydrophobicContact CB-CD1 4.28Å; H79-L95 PolarHBondContact N-O 3.36Å; H79-L95 VanDerWaalsContact N-O 3.09Å; H79-L95 PolarHBondContact O-N 2.82Å; H79-L95 VanDerWaalsContact O-N 3.11Å |
| 80 | V | 98.6 | Very high | 96.2 | Very high | 16 Ų | 16 | 70.3 Ų | 70.3 | 10% | 0.097 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 108.5 | 174.7 | -175.4 | 0 | 0 | 0 | 0 | 109.1 | R13 V16 I77 V92 Q93 V94 | R13-V80 HydrophobicContact CG-CB 4.36Å; R13-V80 HydrophobicContact CG-CG1 4.11Å; V16-V80 HydrophobicContact CB-CG2 4.49Å; V16-V80 HydrophobicContact CG1-CG2 3.88Å; V16-V80 HydrophobicContact CG2-CG1 4.06Å; V16-V80 HydrophobicContact CG2-CG2 4.43Å; I77-V80 HydrophobicContact CG2-CG2 3.43Å; I77-V80 VanDerWaalsContact CG2-CG2 3.43Å; V80-V92 HydrophobicContact CG1-CG1 3.87Å; V80-Q93 WeakPolarHBondContact CA-O 3.32Å; V80-V94 HydrophobicContact CG2-CG1 4.47Å |
| 81 | D | 98.3 | Very high | 96.4 | Very high | 55 Ų | 55 | 71.4 Ų | 71.4 | 29% | 0.294 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 144.9 | 165.8 | -72.1 | -39.3 | 0 | 0 | 0 | 109.8 | H79 V92 Q93 | H79-D81 IonicContact CD2-OD1 3.23Å; H79-D81 IonicContact CD2-OD2 2.26Å; H79-D81 PolarHBondContact CD2-OD2 2.87Å; H79-D81 IonicContact CE1-OD1 2.67Å; H79-D81 IonicContact NE2-OD1 3.35Å; H79-D81 PolarHBondContact NE2-OD1 3.39Å; H79-D81 IonicContact NE2-OD2 2.76Å; H79-D81 PolarHBondContact NE2-OD2 3.2Å; D81-V92 CarbonylContact O-C 3.55Å; D81-V92 WeakPolarHBondContact O-CA 3.31Å; D81-Q93 PolarHBondContact N-O 3.1Å; D81-Q93 VanDerWaalsContact N-O 3.08Å; D81-Q93 PolarHBondContact O-N 3.23Å |
| 82 | A | 98.4 | Very high | 96.7 | Very high | 7 Ų | 7 | 69.1 Ų | 69.1 | 6% | 0.058 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 129.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | P8 V90 V91 V92 | P8-A82 WeakPolarHBondContact O-CB 3.13Å; A82-V90 HydrophobicContact CB-CG1 4.02Å; A82-V91 CarbonylContact C-O 3.6Å; A82-V91 WeakPolarHBondContact CA-O 3.33Å; A82-V92 HydrophobicContact CB-CB 4.32Å; A82-V92 HydrophobicContact CB-CG1 4.23Å; A82-V92 HydrophobicContact CB-CG2 3.93Å |
| 83 | H | 98.3 | Very high | 97 | Very high | 120 Ų | 120 | 66.8 Ų | 66.8 | 56% | 0.556 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131 | 149.1 | -171.1 | -64.6 | -94.6 | 0 | 0 | 0 | 110.6 | V90 V91 | H83-V90 CarbonylContact O-C 3.52Å; H83-V90 VanDerWaalsContact O-CA 3.31Å; H83-V90 WeakPolarHBondContact O-CA 3.23Å; H83-V91 HydrophobicContact CB-CG1 4.09Å; H83-V91 PolarHBondContact N-O 2.9Å; H83-V91 PolarHBondContact O-N 3.35Å |
| 84 | A | 97.9 | Very high | 97.2 | Very high | 71 Ų | 71 | 66.8 Ų | 66.8 | 59% | 0.587 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 142.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | P8 G89 | P8-A84 HydrophobicContact CG-CB 3.76Å; A84-G89 WeakPolarHBondContact CA-O 3.49Å |
| 85 | T | 96.9 | Very high | 97.3 | Very high | 58 Ų | 58 | 65.5 Ų | 65.5 | 36% | 0.356 | 35% | 0.348 | S | S | . | . | trans | -122.9 | -174 | 174 | 56.7 | 0 | 0 | 0 | 0 | 110.8 | G89 V90 V91 | T85-G89 PolarHBondContact N-O 2.98Å; T85-G89 WeakPolarHBondContact OG1-CA 3.49Å; T85-G89 PolarHBondContact OG1-O 2.66Å; T85-V90 PolarHBondContact OG1-N 2.92Å; T85-V91 HydrophobicContact CG2-CB 3.69Å; T85-V91 HydrophobicContact CG2-CG1 3.64Å | ||
| 86 | L | 93.9 | Very high | 97.3 | Very high | 156 Ų | 156 | 63.9 Ų | 63.9 | 82% | 0.817 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -57.5 | 155.5 | 176.2 | -59.1 | 176.1 | 0 | 0 | 0 | 111.6 | D88 G89 | L86-D88 VanDerWaalsContact C-N 3.28Å; L86-D88 PolarHBondContact O-N 2.81Å; L86-G89 PolarHBondContact O-N 3Å; L86-G89 VanDerWaalsContact O-N 3.11Å |
| 87 | S | 91.9 | Very high | 97.3 | Very high | 114 Ų | 114 | 61.1 Ų | 61.1 | 80% | 0.797 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | 55.9 | 37.4 | 174.7 | -55.3 | 0 | 0 | 0 | 0 | 114.7 | G89 P116 | S87-G89 PolarHBondContact O-N 3.18Å; S87-P116 WeakPolarHBondContact O-CG 3.25Å |
| 88 | D | 92.8 | Very high | 97.3 | Very high | 102 Ų | 102 | 58.3 Ų | 58.3 | 55% | 0.545 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | 60.8 | 20.2 | -178.1 | -101.7 | -17.8 | 0 | 0 | 0 | 114.8 | K5 L86 P116 | K5-D88 IonicContact NZ-OD1 2.68Å; K5-D88 PolarHBondContact NZ-OD1 2.88Å; K5-D88 IonicContact NZ-OD2 2.72Å; K5-D88 PolarHBondContact NZ-OD2 3.14Å; L86-D88 VanDerWaalsContact C-N 3.28Å; L86-D88 PolarHBondContact O-N 2.81Å; D88-P116 HydrophobicContact CB-CG 4.21Å |
| 89 | G | 95.9 | Very high | 97.2 | Very high | 5 Ų | 5 | 50.3 Ų | 50.3 | 5% | 0.052 | 28% | 0.284 | C | S | . | . | trans | -73.8 | 169.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | A84 T85 L86 S87 L114 | A84-G89 WeakPolarHBondContact CA-O 3.49Å; T85-G89 PolarHBondContact N-O 2.98Å; T85-G89 WeakPolarHBondContact OG1-CA 3.49Å; T85-G89 PolarHBondContact OG1-O 2.66Å; L86-G89 PolarHBondContact O-N 3Å; L86-G89 VanDerWaalsContact O-N 3.11Å; S87-G89 PolarHBondContact O-N 3.18Å; G89-L114 CarbonylContact C-O 3.57Å; G89-L114 WeakPolarHBondContact CA-O 3.36Å | ||
| 90 | V | 98.3 | Very high | 97.1 | Very high | 5 Ų | 5 | 46.9 Ų | 46.9 | 3% | 0.03 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 120.9 | 172 | 177.5 | 0 | 0 | 0 | 0 | 108.9 | P8 V11 A82 H83 T85 V92 L114 F124 | P8-V90 HydrophobicContact CB-CG1 4Å; P8-V90 HydrophobicContact CB-CG2 4.05Å; V11-V90 HydrophobicContact CG1-CG2 4.38Å; A82-V90 HydrophobicContact CB-CG1 4.02Å; H83-V90 CarbonylContact O-C 3.52Å; H83-V90 VanDerWaalsContact O-CA 3.31Å; H83-V90 WeakPolarHBondContact O-CA 3.23Å; T85-V90 PolarHBondContact OG1-N 2.92Å; V90-V92 HydrophobicContact CG1-CG2 3.98Å; V90-L114 HydrophobicContact CB-CB 4.31Å; V90-L114 PolarHBondContact N-O 3.16Å; V90-L114 WeakPolarHBondContact O-CB 3.34Å; V90-L114 PolarHBondContact O-N 2.84Å; V90-F124 HydrophobicContact CG2-CE1 4.29Å |
| 91 | V | 98.7 | Very high | 96.8 | Very high | 46 Ų | 46 | 51 Ų | 51 | 28% | 0.279 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 139.6 | 164.7 | 65.1 | 0 | 0 | 0 | 0 | 108.7 | A82 H83 T85 T111 F112 | A82-V91 CarbonylContact C-O 3.6Å; A82-V91 WeakPolarHBondContact CA-O 3.33Å; H83-V91 HydrophobicContact CB-CG1 4.09Å; H83-V91 PolarHBondContact N-O 2.9Å; H83-V91 PolarHBondContact O-N 3.35Å; T85-V91 HydrophobicContact CG2-CB 3.69Å; T85-V91 HydrophobicContact CG2-CG1 3.64Å; V91-T111 HydrophobicContact CG2-CG2 4.17Å; V91-F112 CarbonylContact C-O 3.58Å; V91-F112 WeakPolarHBondContact CA-O 3.39Å |
| 92 | V | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 122.9 | 176.9 | -172.3 | 0 | 0 | 0 | 0 | 108.3 | V16 V80 D81 A82 V90 V94 T111 F112 L114 | V16-V92 HydrophobicContact CG2-CG1 3.86Å; V80-V92 HydrophobicContact CG1-CG1 3.87Å; D81-V92 CarbonylContact O-C 3.55Å; D81-V92 WeakPolarHBondContact O-CA 3.31Å; A82-V92 HydrophobicContact CB-CB 4.32Å; A82-V92 HydrophobicContact CB-CG1 4.23Å; A82-V92 HydrophobicContact CB-CG2 3.93Å; V90-V92 HydrophobicContact CG1-CG2 3.98Å; V92-V94 HydrophobicContact CG1-CG2 4.04Å; V92-T111 WeakPolarHBondContact O-CA 3.18Å; V92-F112 HydrophobicContact CB-CB 4.25Å; V92-F112 HydrophobicContact CB-CD2 4.4Å; V92-F112 PolarHBondContact N-O 3.16Å; V92-F112 PolarHBondContact O-N 2.61Å; V92-L114 HydrophobicContact CG2-CD1 3.84Å; V92-L114 HydrophobicContact CG2-CG 4.18Å |
| 93 | Q | 98.7 | Very high | 96.1 | Very high | 83 Ų | 83 | 57 Ų | 57 | 39% | 0.388 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 130.9 | 171.3 | -166.6 | 178.8 | 18 | 0 | 0 | 109.1 | V80 D81 M109 | V80-Q93 WeakPolarHBondContact CA-O 3.32Å; D81-Q93 PolarHBondContact N-O 3.1Å; D81-Q93 VanDerWaalsContact N-O 3.08Å; D81-Q93 PolarHBondContact O-N 3.23Å; Q93-M109 PolarHBondContact NE2-SD 3.09Å |
| 94 | V | 98.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 131.8 | -177.3 | -170.4 | 0 | 0 | 0 | 0 | 109.3 | V16 Y20 I77 V80 V92 F108 M109 Q110 F112 | V16-V94 HydrophobicContact CG2-CG2 3.54Å; Y20-V94 HydrophobicContact CE2-CG1 4.1Å; I77-V94 HydrophobicContact CD1-CG1 4.08Å; I77-V94 HydrophobicContact CG2-CG1 3.82Å; V80-V94 HydrophobicContact CG2-CG1 4.47Å; V92-V94 HydrophobicContact CG1-CG2 4.04Å; V94-F108 HydrophobicContact CB-CE2 4.45Å; V94-F108 HydrophobicContact CG1-CE2 4.06Å; V94-F108 HydrophobicContact CG1-CZ 4.28Å; V94-M109 WeakPolarHBondContact O-CA 3.39Å; V94-Q110 HydrophobicContact CB-CB 4.38Å; V94-Q110 PolarHBondContact N-O 2.76Å; V94-Q110 PolarHBondContact O-N 3.34Å; V94-F112 HydrophobicContact CG2-CD2 4.13Å; V94-F112 HydrophobicContact CG2-CE2 3.87Å |
| 95 | L | 98.4 | Very high | 95.8 | Very high | 68 Ų | 68 | 55.9 Ų | 55.9 | 36% | 0.356 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 134 | 169.9 | -55.3 | 173.9 | 0 | 0 | 0 | 108.1 | R78 H79 M109 | R78-L95 WeakPolarHBondContact CA-O 3.46Å; R78-L95 WeakPolarHBondContact CB-O 3.48Å; R78-L95 PolarHBondContact N-O 2.74Å; H79-L95 HydrophobicContact CB-CB 4.2Å; H79-L95 HydrophobicContact CB-CD1 4.28Å; H79-L95 PolarHBondContact N-O 3.36Å; H79-L95 VanDerWaalsContact N-O 3.09Å; H79-L95 PolarHBondContact O-N 2.82Å; H79-L95 VanDerWaalsContact O-N 3.11Å; L95-M109 HydrophobicContact CD2-CB 4.07Å; L95-M109 HydrophobicContact CD2-CE 3.95Å; L95-M109 HydrophobicContact CD2-CG 3.77Å |
| 96 | G | 97.9 | Very high | 95.8 | Very high | 7 Ų | 7 | 56.6 Ų | 56.6 | 7% | 0.072 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.4 | -177.2 | -176 | 0 | 0 | 0 | 0 | 0 | 115.1 | K76 K107 F108 | K76-G96 CarbonylContact O-C 3.57Å; K76-G96 WeakPolarHBondContact O-CA 3.29Å; G96-K107 CarbonylContact O-C 3.54Å; G96-K107 WeakPolarHBondContact O-CA 3.31Å; G96-F108 VanDerWaalsContact C-CE1 3.46Å; G96-F108 PolarHBondContact N-O 3.41Å; G96-F108 WeakPolarHBondContact O-CD1 3.44Å; G96-F108 PolarHBondContact O-N 2.63Å |
| 97 | E | 97.7 | Very high | 95.9 | Very high | 31 Ų | 31 | 54.6 Ų | 54.6 | 15% | 0.145 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 140.1 | 165.7 | -66.8 | 149.8 | -121.4 | 0 | 0 | 109.3 | T75 K76 R78 M105 R106 | T75-E97 CarbonylContact C-O 3.48Å; T75-E97 WeakPolarHBondContact CA-O 3.11Å; K76-E97 HydrophobicContact CB-CB 4.23Å; K76-E97 HydrophobicContact CG-CB 4.48Å; K76-E97 PolarHBondContact N-O 3.36Å; K76-E97 IonicContact NZ-OE2 2.66Å; K76-E97 PolarHBondContact NZ-OE2 2.77Å; K76-E97 PolarHBondContact O-N 2.83Å; R78-E97 IonicContact CZ-OE1 2.79Å; R78-E97 IonicContact NE-OE1 2.61Å; R78-E97 PolarHBondContact NE-OE1 2.87Å; R78-E97 IonicContact NH2-OE1 3.12Å; R78-E97 PolarHBondContact NH2-OE1 3.32Å; E97-M105 HydrophobicContact CB-CB 4.24Å; E97-M105 HydrophobicContact CB-SD 4.14Å; E97-R106 CarbonylContact C-O 3.51Å; E97-R106 VanDerWaalsContact CA-O 3.29Å; E97-R106 WeakPolarHBondContact CA-O 3.47Å |
| 98 | L | 97.4 | Very high | 96.2 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 137.7 | 174.3 | -168.8 | 151.1 | 0 | 0 | 0 | 109.8 | L23 H74 T75 N100 R106 F108 F131 Y133 | L23-L98 HydrophobicContact CD2-CD1 4.09Å; H74-L98 WeakPolarHBondContact O-CA 3.11Å; T75-L98 HydrophobicContact CG2-CB 4.16Å; T75-L98 HydrophobicContact CG2-CD1 3.71Å; T75-L98 HydrophobicContact CG2-CG 3.75Å; L98-N100 HydrophobicContact CD2-CB 4.35Å; L98-R106 PolarHBondContact N-O 3.24Å; L98-R106 PolarHBondContact O-N 2.78Å; L98-F108 HydrophobicContact CB-CD1 3.7Å; L98-F108 HydrophobicContact CB-CE1 3.86Å; L98-F131 HydrophobicContact CD1-CE2 3.96Å; L98-F131 HydrophobicContact CD1-CZ 4.18Å; L98-Y133 HydrophobicContact CB-CE1 4.47Å |
| 99 | S | 96.3 | Very high | 96.4 | Very high | 9 Ų | 9 | 48.9 Ų | 48.9 | 6% | 0.063 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 134.3 | 171 | 163.8 | 0 | 0 | 0 | 0 | 107.6 | C73 H74 Q103 | C73-S99 CarbonylContact C-O 3.15Å; C73-S99 WeakPolarHBondContact CA-O 3.47Å; H74-S99 PolarHBondContact N-O 2.8Å; H74-S99 PolarHBondContact O-N 2.79Å; S99-Q103 WeakPolarHBondContact CB-O 3.44Å; S99-Q103 PolarHBondContact OG-O 3.46Å |
| 100 | N | 94.6 | Very high | 96.5 | Very high | 31 Ų | 31 | 48.6 Ų | 48.6 | 17% | 0.166 | 26% | 0.262 | C | S | . | . | trans | -121.9 | 141.3 | 173.7 | -171.9 | 38.9 | 0 | 0 | 0 | 109.3 | Q69 F70 S71 L98 G102 Q103 | Q69-N100 PolarHBondContact O-ND2 3.22Å; F70-N100 WeakPolarHBondContact CA-OD1 3.25Å; S71-N100 PolarHBondContact N-OD1 2.62Å; S71-N100 PolarHBondContact O-OD1 3.03Å; S71-N100 VanDerWaalsContact O-OD1 3.1Å; L98-N100 HydrophobicContact CD2-CB 4.35Å; N100-G102 VanDerWaalsContact C-N 3.27Å; N100-G102 PolarHBondContact O-N 2.26Å; N100-Q103 WeakPolarHBondContact O-CB 3.16Å; N100-Q103 VanDerWaalsContact O-CG 3.25Å; N100-Q103 WeakPolarHBondContact O-CG 3.37Å; N100-Q103 PolarHBondContact O-N 1.89Å | ||
| 101 | N | 93.1 | Very high | 96.5 | Very high | 101 Ų | 101 | 50.3 Ų | 50.3 | 54% | 0.54 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | 44 | 176.1 | -162.5 | 32 | 0 | 0 | 0 | 114.2 | S71 Q103 | S71-N101 VanDerWaalsContact O-CA 3.3Å; S71-N101 WeakPolarHBondContact O-CA 3.48Å; S71-N101 PolarHBondContact O-N 2.88Å; S71-N101 PolarHBondContact OG-OD1 2.78Å; N101-Q103 PolarHBondContact O-N 3.46Å |
| 102 | G | 90 | Very high | 96.5 | Very high | 64 Ų | 64 | 48.1 Ų | 48.1 | 66% | 0.66 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | 2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | N100 | N100-G102 VanDerWaalsContact C-N 3.27Å; N100-G102 PolarHBondContact O-N 2.26Å |
| 103 | Q | 92.6 | Very high | 96.5 | Very high | 124 Ų | 124 | 50 Ų | 50 | 58% | 0.579 | 27% | 0.271 | S | S | * | . | trans | -65.3 | 163.5 | 178.8 | -66.6 | -63.4 | -22.9 | 0 | 0 | 112.6 | S99 N100 N101 | S99-Q103 WeakPolarHBondContact CB-O 3.44Å; S99-Q103 PolarHBondContact OG-O 3.46Å; N100-Q103 WeakPolarHBondContact O-CB 3.16Å; N100-Q103 VanDerWaalsContact O-CG 3.25Å; N100-Q103 WeakPolarHBondContact O-CG 3.37Å; N100-Q103 PolarHBondContact O-N 1.89Å; N101-Q103 PolarHBondContact O-N 3.46Å | ||
| 104 | P | 94.3 | Very high | 96.5 | Very high | 96 Ų | 96 | 46.2 Ų | 46.2 | 62% | 0.623 | 25% | 0.253 | S | S | * | . | trans | -50.1 | 153 | 173.7 | -29 | 36.7 | 0 | 0 | 0 | 113.9 | R106 | P104-R106 PolarHBondContact O-N 3.49Å; P104-R106 VanDerWaalsContact O-N 3.16Å | ||
| 105 | M | 95.9 | Very high | 96.4 | Very high | 72 Ų | 72 | 47 Ų | 47 | 36% | 0.355 | 26% | 0.259 | S | S | . | . | trans | -77.9 | 97.2 | 177.4 | -74.6 | -90.2 | 174.9 | 0 | 0 | 109.7 | H74 K76 E97 | H74-M105 HydrophobicContact CB-CE 3.76Å; K76-M105 HydrophobicContact CG-SD 4.24Å; K76-M105 VanDerWaalsContact NZ-CG 3.27Å; K76-M105 PolarHBondContact NZ-SD 3.38Å; E97-M105 HydrophobicContact CB-CB 4.24Å; E97-M105 HydrophobicContact CB-SD 4.14Å | ||
| 106 | R | 95.6 | Very high | 96.2 | Very high | 73 Ų | 73 | 46.2 Ų | 46.2 | 28% | 0.275 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 137.5 | 176.7 | -61.6 | 173.4 | 70.9 | -165.1 | 5.7 | 109.6 | E97 L98 P104 Y133 D135 E136 | E97-R106 CarbonylContact C-O 3.51Å; E97-R106 VanDerWaalsContact CA-O 3.29Å; E97-R106 WeakPolarHBondContact CA-O 3.47Å; L98-R106 PolarHBondContact N-O 3.24Å; L98-R106 PolarHBondContact O-N 2.78Å; P104-R106 PolarHBondContact O-N 3.49Å; P104-R106 VanDerWaalsContact O-N 3.16Å; R106-Y133 HydrophobicContact CB-CD1 3.49Å; R106-Y133 VanDerWaalsContact CB-CD1 3.49Å; R106-Y133 HydrophobicContact CB-CE1 3.7Å; R106-Y133 HydrophobicContact CB-CG 4.48Å; R106-Y133 HydrophobicContact CG-CD1 4.44Å; R106-Y133 HydrophobicContact CG-CE1 4.48Å; R106-Y133 VanDerWaalsContact NH1-CD2 3.26Å; R106-D135 IonicContact CZ-OD1 3.97Å; R106-D135 IonicContact CZ-OD2 3.1Å; R106-D135 IonicContact NE-OD1 3.69Å; R106-D135 PolarHBondContact NE-OD1 2.79Å; R106-D135 IonicContact NE-OD2 2.89Å; R106-D135 PolarHBondContact NE-OD2 2.99Å; R106-D135 IonicContact NH2-OD1 3.22Å; R106-D135 PolarHBondContact NH2-OD1 2.97Å; R106-D135 IonicContact NH2-OD2 3.29Å; R106-E136 IonicContact CZ-OE1 3.75Å; R106-E136 IonicContact NH1-OE1 2.62Å; R106-E136 PolarHBondContact NH1-OE1 3.03Å; R106-E136 VanDerWaalsContact NH1-OE1 3.1Å; R106-E136 VanDerWaalsContact NH2-CD 3.29Å; R106-E136 IonicContact NH2-OE1 1.89Å; R106-E136 PolarHBondContact NH2-OE1 2.83Å |
| 107 | K | 96.9 | Very high | 95.8 | Very high | 114 Ų | 114 | 48.8 Ų | 48.8 | 50% | 0.496 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 147.8 | 173.9 | -56.7 | 169.6 | -171.4 | 160.7 | 0 | 109.5 | G96 Y133 E134 | G96-K107 CarbonylContact O-C 3.54Å; G96-K107 WeakPolarHBondContact O-CA 3.31Å; K107-Y133 WeakPolarHBondContact O-CA 3.41Å; K107-E134 HydrophobicContact CB-CB 3.87Å; K107-E134 HydrophobicContact CD-CB 4.45Å; K107-E134 HydrophobicContact CD-CG 4.44Å; K107-E134 WeakPolarHBondContact CD-OE1 3.39Å; K107-E134 WeakPolarHBondContact CD-OE2 3.29Å; K107-E134 WeakPolarHBondContact CE-OE1 3.2Å; K107-E134 IonicContact NZ-OE1 3.39Å; K107-E134 PolarHBondContact NZ-OE1 3.41Å; K107-E134 PolarHBondContact O-N 2.85Å |
| 108 | F | 97.1 | Very high | 95 | Very high | 5 Ų | 5 | 51.4 Ų | 51.4 | 2% | 0.022 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 155 | 176.8 | 74.5 | -93.8 | 0 | 0 | 0 | 112.8 | Y20 I77 V94 G96 L98 Q110 F131 C132 Y133 | Y20-F108 HydrophobicContact CE1-CZ 4.19Å; Y20-F108 AromaticContact CZ-CZ 3.93Å; Y20-F108 WeakPolarHBondContact OH-CE2 3.48Å; I77-F108 HydrophobicContact CD1-CZ 3.95Å; V94-F108 HydrophobicContact CB-CE2 4.45Å; V94-F108 HydrophobicContact CG1-CE2 4.06Å; V94-F108 HydrophobicContact CG1-CZ 4.28Å; G96-F108 VanDerWaalsContact C-CE1 3.46Å; G96-F108 PolarHBondContact N-O 3.41Å; G96-F108 WeakPolarHBondContact O-CD1 3.44Å; G96-F108 PolarHBondContact O-N 2.63Å; L98-F108 HydrophobicContact CB-CD1 3.7Å; L98-F108 HydrophobicContact CB-CE1 3.86Å; F108-Q110 HydrophobicContact CD2-CB 3.89Å; F108-Q110 HydrophobicContact CE2-CB 3.84Å; F108-F131 HydrophobicContact CB-CD2 4.3Å; F108-F131 HydrophobicContact CB-CE1 4.1Å; F108-F131 HydrophobicContact CB-CE2 3.55Å; F108-F131 HydrophobicContact CB-CZ 3.42Å; F108-F131 VanDerWaalsContact CB-CZ 3.42Å; F108-F131 AromaticContact CD1-CE2 3.85Å; F108-F131 HydrophobicContact CD1-CE2 3.85Å; F108-F131 HydrophobicContact CD1-CZ 4.18Å; F108-F131 AromaticContact CD2-CD2 3.69Å; F108-F131 HydrophobicContact CD2-CD2 3.69Å; F108-F131 AromaticContact CD2-CE2 3.34Å; F108-F131 HydrophobicContact CD2-CE2 3.34Å; F108-F131 HydrophobicContact CD2-CZ 4.16Å; F108-F131 HydrophobicContact CE1-CE2 4.38Å; F108-F131 HydrophobicContact CE2-CD2 4.24Å; F108-F131 AromaticContact CE2-CE2 3.96Å; F108-F131 HydrophobicContact CE2-CE2 3.96Å; F108-F131 HydrophobicContact CG-CD2 4.08Å; F108-F131 AromaticContact CG-CE2 3.29Å; F108-F131 HydrophobicContact CG-CE2 3.29Å; F108-F131 AromaticContact CG-CZ 3.68Å; F108-F131 HydrophobicContact CG-CZ 3.68Å; F108-F131 HydrophobicContact CZ-CE2 4.43Å; F108-C132 VanDerWaalsContact CA-O 3.31Å; F108-C132 WeakPolarHBondContact CA-O 3.19Å; F108-C132 WeakPolarHBondContact CB-O 3.2Å; F108-Y133 HydrophobicContact CB-CD1 4.26Å |
| 109 | M | 97.2 | Very high | 94 | Very high | 91 Ų | 91 | 56.3 Ų | 56.3 | 45% | 0.448 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 131.8 | 161 | -174 | -178.1 | -55.6 | 0 | 0 | 108.5 | Q93 V94 L95 C132 | Q93-M109 PolarHBondContact NE2-SD 3.09Å; V94-M109 WeakPolarHBondContact O-CA 3.39Å; L95-M109 HydrophobicContact CD2-CB 4.07Å; L95-M109 HydrophobicContact CD2-CE 3.95Å; L95-M109 HydrophobicContact CD2-CG 3.77Å; M109-C132 PolarHBondContact N-O 3.46Å; M109-C132 PolarHBondContact O-N 2.63Å |
| 110 | Q | 98.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 126.6 | 174.8 | -170.1 | 168.7 | 19.7 | 0 | 0 | 110.8 | Y19 Y20 V94 F108 F112 D129 I130 F131 | Y19-Q110 PolarHBondContact OH-NE2 2.88Å; Y20-Q110 VanDerWaalsContact CZ-OE1 3.3Å; Y20-Q110 PolarHBondContact OH-OE1 2.95Å; V94-Q110 HydrophobicContact CB-CB 4.38Å; V94-Q110 PolarHBondContact N-O 2.76Å; V94-Q110 PolarHBondContact O-N 3.34Å; F108-Q110 HydrophobicContact CD2-CB 3.89Å; F108-Q110 HydrophobicContact CE2-CB 3.84Å; Q110-F112 HydrophobicContact CB-CE2 4.29Å; Q110-F112 HydrophobicContact CG-CD2 4.17Å; Q110-F112 HydrophobicContact CG-CE1 4.21Å; Q110-F112 HydrophobicContact CG-CE2 3.59Å; Q110-F112 HydrophobicContact CG-CZ 3.65Å; Q110-D129 VanDerWaalsContact NE2-CG 3.28Å; Q110-D129 PolarHBondContact NE2-OD1 2.67Å; Q110-D129 PolarHBondContact NE2-OD2 3.23Å; Q110-D129 VanDerWaalsContact NE2-OD2 3.13Å; Q110-I130 CarbonylContact C-O 3.6Å; Q110-I130 VanDerWaalsContact CA-O 3.3Å; Q110-I130 WeakPolarHBondContact CA-O 3.4Å; Q110-F131 HydrophobicContact CB-CB 4.2Å; Q110-F131 HydrophobicContact CB-CD2 3.89Å; Q110-F131 HydrophobicContact CB-CG 4.44Å; Q110-F131 HydrophobicContact CG-CB 3.76Å; Q110-F131 HydrophobicContact CG-CD2 4.03Å; Q110-F131 HydrophobicContact CG-CG 4.39Å |
| 111 | T | 98.6 | Very high | 93 | Very high | 41 Ų | 41 | 62.4 Ų | 62.4 | 25% | 0.252 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 124.3 | 177.3 | -60.7 | 0 | 0 | 0 | 0 | 109.3 | V91 V92 I130 | V91-T111 HydrophobicContact CG2-CG2 4.17Å; V92-T111 WeakPolarHBondContact O-CA 3.18Å; T111-I130 PolarHBondContact N-O 3.12Å; T111-I130 PolarHBondContact O-N 3.2Å |
| 112 | F | 98.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 144.6 | 173.7 | -56.6 | -90.6 | 0 | 0 | 0 | 110.9 | F15 Y19 V91 V92 V94 Q110 L114 V126 N128 D129 | F15-F112 HydrophobicContact CE1-CB 4.15Å; F15-F112 AromaticContact CE1-CD1 3.62Å; F15-F112 HydrophobicContact CE1-CD1 3.62Å; F15-F112 AromaticContact CE1-CD2 3.7Å; F15-F112 HydrophobicContact CE1-CD2 3.7Å; F15-F112 AromaticContact CE1-CE1 3.73Å; F15-F112 HydrophobicContact CE1-CE1 3.73Å; F15-F112 AromaticContact CE1-CE2 3.8Å; F15-F112 HydrophobicContact CE1-CE2 3.8Å; F15-F112 AromaticContact CE1-CG 3.57Å; F15-F112 HydrophobicContact CE1-CG 3.57Å; F15-F112 AromaticContact CE1-CZ 3.79Å; F15-F112 HydrophobicContact CE1-CZ 3.79Å; F15-F112 AromaticContact CZ-CD1 3.68Å; F15-F112 HydrophobicContact CZ-CD1 3.68Å; F15-F112 AromaticContact CZ-CE1 3.66Å; F15-F112 HydrophobicContact CZ-CE1 3.66Å; F15-F112 HydrophobicContact CZ-CG 4.12Å; F15-F112 HydrophobicContact CZ-CZ 4.08Å; Y19-F112 HydrophobicContact CD1-CZ 4.04Å; Y19-F112 AromaticContact CD2-CE1 3.95Å; Y19-F112 HydrophobicContact CD2-CE1 3.95Å; Y19-F112 HydrophobicContact CD2-CZ 4.14Å; Y19-F112 HydrophobicContact CE1-CE1 4.34Å; Y19-F112 AromaticContact CE1-CZ 3.96Å; Y19-F112 HydrophobicContact CE1-CZ 3.96Å; Y19-F112 AromaticContact CE2-CE1 3.63Å; Y19-F112 HydrophobicContact CE2-CE1 3.63Å; Y19-F112 HydrophobicContact CE2-CZ 4.04Å; Y19-F112 HydrophobicContact CG-CE1 4.42Å; Y19-F112 HydrophobicContact CG-CZ 4.15Å; Y19-F112 AromaticContact CZ-CE1 3.87Å; Y19-F112 AromaticContact CZ-CZ 3.96Å; V91-F112 CarbonylContact C-O 3.58Å; V91-F112 WeakPolarHBondContact CA-O 3.39Å; V92-F112 HydrophobicContact CB-CB 4.25Å; V92-F112 HydrophobicContact CB-CD2 4.4Å; V92-F112 PolarHBondContact N-O 3.16Å; V92-F112 PolarHBondContact O-N 2.61Å; V94-F112 HydrophobicContact CG2-CD2 4.13Å; V94-F112 HydrophobicContact CG2-CE2 3.87Å; Q110-F112 HydrophobicContact CB-CE2 4.29Å; Q110-F112 HydrophobicContact CG-CD2 4.17Å; Q110-F112 HydrophobicContact CG-CE1 4.21Å; Q110-F112 HydrophobicContact CG-CE2 3.59Å; Q110-F112 HydrophobicContact CG-CZ 3.65Å; F112-L114 HydrophobicContact CB-CD2 4.41Å; F112-V126 HydrophobicContact CD1-CG1 4.07Å; F112-N128 CarbonylContact C-O 3.55Å; F112-N128 VanDerWaalsContact CA-O 3.29Å; F112-N128 WeakPolarHBondContact CA-O 3.11Å; F112-D129 HydrophobicContact CD1-CB 4.13Å; F112-D129 HydrophobicContact CE1-CB 4.32Å; F112-D129 WeakPolarHBondContact CE1-OD2 3.43Å |
| 113 | V | 98.6 | Very high | 92.8 | Very high | 40 Ų | 40 | 62.4 Ų | 62.4 | 24% | 0.242 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 112.3 | 161.5 | -179 | 0 | 0 | 0 | 0 | 107.8 | H127 N128 | V113-H127 PolarHBondContact O-N 3.49Å; V113-N128 HydrophobicContact CB-CB 3.99Å; V113-N128 WeakPolarHBondContact CB-OD1 3.24Å; V113-N128 HydrophobicContact CG2-CB 4.05Å; V113-N128 PolarHBondContact N-O 2.98Å; V113-N128 PolarHBondContact O-N 2.94Å |
| 114 | L | 98.3 | Very high | 92.9 | Very high | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.01 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 128.1 | 175.1 | -54.2 | -179.1 | 0 | 0 | 0 | 109.1 | V11 F15 G89 V90 V92 F112 F124 Y125 V126 | V11-L114 HydrophobicContact CG1-CD1 3.98Å; F15-L114 HydrophobicContact CB-CD1 3.88Å; F15-L114 HydrophobicContact CD1-CD1 3.98Å; F15-L114 HydrophobicContact CD1-CD2 3.97Å; F15-L114 HydrophobicContact CD1-CG 4.47Å; F15-L114 HydrophobicContact CD2-CD1 4.41Å; F15-L114 HydrophobicContact CD2-CD2 3.94Å; F15-L114 HydrophobicContact CE1-CD2 3.97Å; F15-L114 HydrophobicContact CE2-CD2 3.94Å; F15-L114 HydrophobicContact CG-CD1 3.79Å; F15-L114 HydrophobicContact CG-CD2 3.96Å; F15-L114 HydrophobicContact CZ-CD2 3.96Å; G89-L114 CarbonylContact C-O 3.57Å; G89-L114 WeakPolarHBondContact CA-O 3.36Å; V90-L114 HydrophobicContact CB-CB 4.31Å; V90-L114 PolarHBondContact N-O 3.16Å; V90-L114 WeakPolarHBondContact O-CB 3.34Å; V90-L114 PolarHBondContact O-N 2.84Å; V92-L114 HydrophobicContact CG2-CD1 3.84Å; V92-L114 HydrophobicContact CG2-CG 4.18Å; F112-L114 HydrophobicContact CB-CD2 4.41Å; L114-F124 HydrophobicContact CB-CB 4.37Å; L114-F124 HydrophobicContact CB-CD1 4.16Å; L114-Y125 WeakPolarHBondContact CA-O 3.31Å; L114-V126 HydrophobicContact CD2-CB 4.49Å; L114-V126 HydrophobicContact CD2-CG2 3.79Å |
| 115 | A | 96.8 | Very high | 93.1 | Very high | 16 Ų | 16 | 57.3 Ų | 57.3 | 13% | 0.132 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 145.4 | 177 | 0 | 0 | 0 | 0 | 0 | 110.6 | E117 F124 Y125 H127 | A115-E117 PolarHBondContact O-N 2.92Å; A115-F124 CarbonylContact O-C 3.48Å; A115-F124 VanDerWaalsContact O-CA 3.3Å; A115-F124 WeakPolarHBondContact O-CA 3.3Å; A115-Y125 HydrophobicContact CB-CD1 4.24Å; A115-Y125 HydrophobicContact CB-CE1 3.59Å; A115-Y125 PolarHBondContact N-O 2.98Å; A115-Y125 VanDerWaalsContact O-CD1 3.27Å; A115-Y125 WeakPolarHBondContact O-CD1 3.43Å; A115-Y125 PolarHBondContact O-N 2.88Å; A115-H127 HydrophobicContact CB-CB 3.98Å |
| 116 | P | 94.8 | Very high | 93.2 | Very high | 52 Ų | 52 | 53.9 Ų | 53.9 | 34% | 0.338 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 134 | 178.2 | 27 | -34.1 | 0 | 0 | 0 | 111.2 | S87 D88 G118 F124 | S87-P116 WeakPolarHBondContact O-CG 3.25Å; D88-P116 HydrophobicContact CB-CG 4.21Å; P116-G118 PolarHBondContact O-N 2.98Å; P116-G118 VanDerWaalsContact O-N 3.15Å; P116-F124 HydrophobicContact CB-CE1 4.48Å |
| 117 | E | 89.8 | Confident | 93.4 | Very high | 61 Ų | 61 | 53.4 Ų | 53.4 | 29% | 0.285 | 32% | 0.315 | S | S | . | . | trans | -83.2 | 89.9 | 172.3 | -168.5 | -177.7 | 135.6 | 0 | 0 | 108.5 | A115 S119 V120 K123 Y125 | A115-E117 PolarHBondContact O-N 2.92Å; E117-S119 PolarHBondContact O-N 2.91Å; E117-V120 PolarHBondContact O-N 3.08Å; E117-K123 HydrophobicContact CB-CB 4.32Å; E117-K123 HydrophobicContact CB-CD 4.26Å; E117-K123 HydrophobicContact CB-CG 4.25Å; E117-K123 HydrophobicContact CG-CD 4.47Å; E117-K123 PolarHBondContact N-O 2.81Å; E117-K123 IonicContact OE1-NZ 2.79Å; E117-K123 PolarHBondContact OE1-NZ 2.96Å; E117-K123 VanDerWaalsContact OE2-CD 3.32Å; E117-K123 WeakPolarHBondContact OE2-CD 3.23Å; E117-K123 WeakPolarHBondContact OE2-CE 3.47Å; E117-K123 IonicContact OE2-NZ 3.72Å; E117-K123 PolarHBondContact OE2-NZ 3.18Å; E117-Y125 HydrophobicContact CB-CD1 4.32Å | ||
| 118 | G | 79.4 | Confident | 93.4 | Very high | 87 Ų | 87 | 50.1 Ų | 50.1 | 90% | 0.897 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 4.8 | -161.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | P116 | P116-G118 PolarHBondContact O-N 2.98Å; P116-G118 VanDerWaalsContact O-N 3.15Å |
| 119 | S | 78 | Confident | 93.5 | Very high | 104 Ų | 104 | 49.9 Ų | 49.9 | 73% | 0.727 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | -13.3 | 169 | 57.1 | 0 | 0 | 0 | 0 | 114 | E117 | E117-S119 PolarHBondContact O-N 2.91Š|
| 120 | V | 84.7 | Confident | 93.5 | Very high | 74 Ų | 74 | 49.3 Ų | 49.3 | 45% | 0.448 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -135.3 | 118.8 | -174.6 | -174.2 | 0 | 0 | 0 | 0 | 111.3 | E117 K123 | E117-V120 PolarHBondContact O-N 3.08Å; V120-K123 HydrophobicContact CB-CB 3.76Å; V120-K123 HydrophobicContact CB-CD 3.91Å; V120-K123 HydrophobicContact CB-CG 4.48Å; V120-K123 HydrophobicContact CG1-CB 3.81Å; V120-K123 HydrophobicContact CG1-CD 4.13Å; V120-K123 HydrophobicContact CG2-CD 4.17Å; V120-K123 WeakPolarHBondContact O-CB 3.19Å; V120-K123 PolarHBondContact O-N 3.11Å |
| 121 | A | 84.4 | Confident | 93.5 | Very high | 93 Ų | 93 | 49.3 Ų | 49.3 | 77% | 0.769 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 138.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | K123 | A121-K123 PolarHBondContact O-N 2.92Å; A121-K123 VanDerWaalsContact O-N 3.13Å |
| 122 | N | 85.3 | Confident | 93.3 | Very high | 75 Ų | 75 | 49.3 Ų | 49.3 | 40% | 0.401 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 14.5 | -176.6 | -59.1 | -20.7 | 0 | 0 | 0 | 115.4 | ||
| 123 | K | 92.8 | Very high | 93.1 | Very high | 91 Ų | 91 | 50.5 Ų | 50.5 | 40% | 0.396 | 31% | 0.306 | S | S | . | . | trans | -94.9 | 134.2 | 171.7 | -164.1 | -177.5 | -178.8 | -152.7 | 0 | 110 | E117 V120 A121 | E117-K123 HydrophobicContact CB-CB 4.32Å; E117-K123 HydrophobicContact CB-CD 4.26Å; E117-K123 HydrophobicContact CB-CG 4.25Å; E117-K123 HydrophobicContact CG-CD 4.47Å; E117-K123 PolarHBondContact N-O 2.81Å; E117-K123 IonicContact OE1-NZ 2.79Å; E117-K123 PolarHBondContact OE1-NZ 2.96Å; E117-K123 VanDerWaalsContact OE2-CD 3.32Å; E117-K123 WeakPolarHBondContact OE2-CD 3.23Å; E117-K123 WeakPolarHBondContact OE2-CE 3.47Å; E117-K123 IonicContact OE2-NZ 3.72Å; E117-K123 PolarHBondContact OE2-NZ 3.18Å; V120-K123 HydrophobicContact CB-CB 3.76Å; V120-K123 HydrophobicContact CB-CD 3.91Å; V120-K123 HydrophobicContact CB-CG 4.48Å; V120-K123 HydrophobicContact CG1-CB 3.81Å; V120-K123 HydrophobicContact CG1-CD 4.13Å; V120-K123 HydrophobicContact CG2-CD 4.17Å; V120-K123 WeakPolarHBondContact O-CB 3.19Å; V120-K123 PolarHBondContact O-N 3.11Å; A121-K123 PolarHBondContact O-N 2.92Å; A121-K123 VanDerWaalsContact O-N 3.13Å | ||
| 124 | F | 96.2 | Very high | 92.7 | Very high | 51 Ų | 51 | 52.5 Ų | 52.5 | 22% | 0.224 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 151.7 | 178.5 | -67.6 | -94.9 | 0 | 0 | 0 | 110.4 | V11 V90 L114 A115 P116 | V11-F124 HydrophobicContact CG1-CD2 3.92Å; V11-F124 HydrophobicContact CG1-CE2 3.92Å; V11-F124 HydrophobicContact CG1-CG 4.32Å; V11-F124 HydrophobicContact CG1-CZ 4.32Å; V11-F124 HydrophobicContact CG2-CE2 4.06Å; V11-F124 HydrophobicContact CG2-CZ 4.45Å; V90-F124 HydrophobicContact CG2-CE1 4.29Å; L114-F124 HydrophobicContact CB-CB 4.37Å; L114-F124 HydrophobicContact CB-CD1 4.16Å; A115-F124 CarbonylContact O-C 3.48Å; A115-F124 VanDerWaalsContact O-CA 3.3Å; A115-F124 WeakPolarHBondContact O-CA 3.3Å; P116-F124 HydrophobicContact CB-CE1 4.48Å |
| 125 | Y | 97.5 | Very high | 92.2 | Very high | 61 Ų | 61 | 55.5 Ų | 55.5 | 24% | 0.239 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 155.6 | 166.5 | 76.2 | -80.9 | 0 | 0 | 0 | 109.7 | F33 L114 A115 E117 H127 | F33-Y125 CarbonylContact O-C 3.52Å; F33-Y125 WeakPolarHBondContact O-CA 3.31Å; F33-Y125 WeakPolarHBondContact O-CB 3.35Å; L114-Y125 WeakPolarHBondContact CA-O 3.31Å; A115-Y125 HydrophobicContact CB-CD1 4.24Å; A115-Y125 HydrophobicContact CB-CE1 3.59Å; A115-Y125 PolarHBondContact N-O 2.98Å; A115-Y125 VanDerWaalsContact O-CD1 3.27Å; A115-Y125 WeakPolarHBondContact O-CD1 3.43Å; A115-Y125 PolarHBondContact O-N 2.88Å; E117-Y125 HydrophobicContact CB-CD1 4.32Å; Y125-H127 HydrophobicContact CE2-CB 4.04Å; Y125-H127 PolarHBondContact O-N 2.82Å |
| 126 | V | 98.6 | Very high | 91.7 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.006 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 110.3 | 175.2 | 179.5 | 0 | 0 | 0 | 0 | 108.2 | F15 F33 Y34 S38 F112 L114 N128 D129 | F15-V126 HydrophobicContact CD2-CG2 4.46Å; F15-V126 HydrophobicContact CE2-CG2 3.37Å; F15-V126 HydrophobicContact CZ-CG2 3.41Å; F15-V126 VanDerWaalsContact CZ-CG2 3.41Å; F33-V126 HydrophobicContact CB-CG2 3.96Å; F33-V126 PolarHBondContact O-N 3.33Å; Y34-V126 HydrophobicContact CD1-CB 3.84Å; Y34-V126 HydrophobicContact CD1-CG1 3.84Å; Y34-V126 HydrophobicContact CE1-CB 4.02Å; Y34-V126 HydrophobicContact CE1-CG1 3.68Å; S38-V126 VanDerWaalsContact CB-O 3.29Å; S38-V126 WeakPolarHBondContact CB-O 3.3Å; S38-V126 PolarHBondContact OG-O 3.24Å; F112-V126 HydrophobicContact CD1-CG1 4.07Å; L114-V126 HydrophobicContact CD2-CB 4.49Å; L114-V126 HydrophobicContact CD2-CG2 3.79Å; V126-N128 WeakPolarHBondContact CG1-O 3.42Å; V126-D129 HydrophobicContact CG1-CB 3.92Å |
| 127 | H | 98.3 | Very high | 91 | Very high | 63 Ų | 63 | 57.4 Ų | 57.4 | 29% | 0.292 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | -43 | 174.4 | -175.4 | 46.3 | 0 | 0 | 0 | 111.3 | N37 S38 S39 V113 A115 Y125 | N37-H127 PolarHBondContact O-CE1 3.11Å; N37-H127 VanDerWaalsContact O-CE1 3.26Å; N37-H127 PolarHBondContact O-ND1 3.45Å; S38-H127 CarbonylContact C-O 3.53Å; S38-H127 WeakPolarHBondContact CA-O 3.29Å; S39-H127 PolarHBondContact N-O 3.01Å; V113-H127 PolarHBondContact O-N 3.49Å; A115-H127 HydrophobicContact CB-CB 3.98Å; Y125-H127 HydrophobicContact CE2-CB 4.04Å; Y125-H127 PolarHBondContact O-N 2.82Å |
| 128 | N | 98.6 | Very high | 90.5 | Very high | 44 Ų | 44 | 61 Ų | 61 | 24% | 0.235 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 138.3 | 172.3 | -49.8 | 104 | 0 | 0 | 0 | 109.6 | S39 F112 V113 V126 | S39-N128 PolarHBondContact OG-ND2 3.17Å; F112-N128 CarbonylContact C-O 3.55Å; F112-N128 VanDerWaalsContact CA-O 3.29Å; F112-N128 WeakPolarHBondContact CA-O 3.11Å; V113-N128 HydrophobicContact CB-CB 3.99Å; V113-N128 WeakPolarHBondContact CB-OD1 3.24Å; V113-N128 HydrophobicContact CG2-CB 4.05Å; V113-N128 PolarHBondContact N-O 2.98Å; V113-N128 PolarHBondContact O-N 2.94Å; V126-N128 WeakPolarHBondContact CG1-O 3.42Å |
| 129 | D | 98.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 121.2 | 166.4 | -174.2 | -11 | 0 | 0 | 0 | 108.5 | Y19 Y34 S39 Y40 V41 Q110 F112 V126 | Y19-D129 PolarHBondContact OH-OD2 3.28Å; Y34-D129 HydrophobicContact CE1-CB 3.96Å; Y34-D129 PolarHBondContact OH-OD2 3.02Å; S39-D129 PolarHBondContact O-N 3.41Å; Y40-D129 WeakPolarHBondContact CA-O 3.17Å; Y40-D129 HydrophobicContact CD2-CB 3.86Å; Y40-D129 WeakPolarHBondContact CD2-OD2 3.25Å; Y40-D129 WeakPolarHBondContact CE2-OD2 3.48Å; V41-D129 PolarHBondContact N-O 2.82Å; Q110-D129 VanDerWaalsContact NE2-CG 3.28Å; Q110-D129 PolarHBondContact NE2-OD1 2.67Å; Q110-D129 PolarHBondContact NE2-OD2 3.23Å; Q110-D129 VanDerWaalsContact NE2-OD2 3.13Å; F112-D129 HydrophobicContact CD1-CB 4.13Å; F112-D129 HydrophobicContact CE1-CB 4.32Å; F112-D129 WeakPolarHBondContact CE1-OD2 3.43Å; V126-D129 HydrophobicContact CG1-CB 3.92Å |
| 130 | I | 97.8 | Very high | 88.5 | Confident | 79 Ų | 79 | 59.6 Ų | 59.6 | 41% | 0.405 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 100 | 179.9 | -55.2 | 174.6 | 0 | 0 | 0 | 107.5 | V41 Q110 T111 | V41-I130 HydrophobicContact CG1-CB 4.14Å; V41-I130 HydrophobicContact CG1-CG1 4.25Å; V41-I130 HydrophobicContact CG1-CG2 3.86Å; Q110-I130 CarbonylContact C-O 3.6Å; Q110-I130 VanDerWaalsContact CA-O 3.3Å; Q110-I130 WeakPolarHBondContact CA-O 3.4Å; T111-I130 PolarHBondContact N-O 3.12Å; T111-I130 PolarHBondContact O-N 3.2Å |
| 131 | F | 97.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 131.7 | 174.2 | 173.9 | -71 | 0 | 0 | 0 | 110.4 | V41 H42 G43 L98 F108 Q110 Y133 | V41-F131 PolarHBondContact O-N 3.36Å; H42-F131 HydrophobicContact CB-CB 4.39Å; H42-F131 AromaticContact CD2-CD1 3.91Å; H42-F131 AromaticContact CE1-CD1 3.63Å; H42-F131 AromaticContact CE1-CD2 3.36Å; H42-F131 WeakPolarHBondContact CE1-CD2 3.26Å; H42-F131 AromaticContact CE1-CE1 3.91Å; H42-F131 AromaticContact CE1-CE2 3.63Å; H42-F131 AromaticContact CE1-CG 3.38Å; H42-F131 WeakPolarHBondContact CE1-CG 3.43Å; H42-F131 AromaticContact CE1-CZ 3.91Å; H42-F131 AromaticContact CG-CD1 3.81Å; H42-F131 AromaticContact CG-CG 3.94Å; H42-F131 WeakPolarHBondContact ND1-CB 3.35Å; H42-F131 AromaticContact ND1-CD1 3.65Å; H42-F131 AromaticContact ND1-CD2 3.72Å; H42-F131 AromaticContact ND1-CG 3.31Å; H42-F131 VanDerWaalsContact ND1-CG 3.31Å; H42-F131 WeakPolarHBondContact ND1-CG 3.4Å; H42-F131 AromaticContact NE2-CD1 3.84Å; H42-F131 AromaticContact NE2-CE1 3.8Å; H42-F131 AromaticContact NE2-CZ 3.91Å; G43-F131 PolarHBondContact N-O 3.14Å; L98-F131 HydrophobicContact CD1-CE2 3.96Å; L98-F131 HydrophobicContact CD1-CZ 4.18Å; F108-F131 HydrophobicContact CB-CD2 4.3Å; F108-F131 HydrophobicContact CB-CE1 4.1Å; F108-F131 HydrophobicContact CB-CE2 3.55Å; F108-F131 HydrophobicContact CB-CZ 3.42Å; F108-F131 VanDerWaalsContact CB-CZ 3.42Å; F108-F131 AromaticContact CD1-CE2 3.85Å; F108-F131 HydrophobicContact CD1-CE2 3.85Å; F108-F131 HydrophobicContact CD1-CZ 4.18Å; F108-F131 AromaticContact CD2-CD2 3.69Å; F108-F131 HydrophobicContact CD2-CD2 3.69Å; F108-F131 AromaticContact CD2-CE2 3.34Å; F108-F131 HydrophobicContact CD2-CE2 3.34Å; F108-F131 HydrophobicContact CD2-CZ 4.16Å; F108-F131 HydrophobicContact CE1-CE2 4.38Å; F108-F131 HydrophobicContact CE2-CD2 4.24Å; F108-F131 AromaticContact CE2-CE2 3.96Å; F108-F131 HydrophobicContact CE2-CE2 3.96Å; F108-F131 HydrophobicContact CG-CD2 4.08Å; F108-F131 AromaticContact CG-CE2 3.29Å; F108-F131 HydrophobicContact CG-CE2 3.29Å; F108-F131 AromaticContact CG-CZ 3.68Å; F108-F131 HydrophobicContact CG-CZ 3.68Å; F108-F131 HydrophobicContact CZ-CE2 4.43Å; Q110-F131 HydrophobicContact CB-CB 4.2Å; Q110-F131 HydrophobicContact CB-CD2 3.89Å; Q110-F131 HydrophobicContact CB-CG 4.44Å; Q110-F131 HydrophobicContact CG-CB 3.76Å; Q110-F131 HydrophobicContact CG-CD2 4.03Å; Q110-F131 HydrophobicContact CG-CG 4.39Å; F131-Y133 AromaticContact CE1-CD1 3.9Å; F131-Y133 HydrophobicContact CE1-CD1 3.9Å; F131-Y133 AromaticContact CE1-CD2 3.63Å; F131-Y133 HydrophobicContact CE1-CD2 3.63Å; F131-Y133 AromaticContact CE1-CE1 3.78Å; F131-Y133 HydrophobicContact CE1-CE1 3.78Å; F131-Y133 AromaticContact CE1-CE2 3.5Å; F131-Y133 HydrophobicContact CE1-CE2 3.5Å; F131-Y133 VanDerWaalsContact CE1-CE2 3.5Å; F131-Y133 AromaticContact CE1-CG 3.84Å; F131-Y133 HydrophobicContact CE1-CG 3.84Å; F131-Y133 AromaticContact CE1-CZ 3.57Å; F131-Y133 AromaticContact CZ-CD1 3.91Å; F131-Y133 HydrophobicContact CZ-CD1 3.91Å; F131-Y133 HydrophobicContact CZ-CD2 4.41Å; F131-Y133 AromaticContact CZ-CE1 3.58Å; F131-Y133 HydrophobicContact CZ-CE1 3.58Å; F131-Y133 HydrophobicContact CZ-CE2 4.13Å; F131-Y133 HydrophobicContact CZ-CG 4.33Å; F131-Y133 AromaticContact CZ-CZ 3.7Å |
| 132 | C | 94 | Very high | 85.1 | Confident | 42 Ų | 42 | 63.8 Ų | 63.8 | 28% | 0.284 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 136.1 | 173.6 | -59.1 | 0 | 0 | 0 | 0 | 109.3 | F108 M109 V137 | F108-C132 VanDerWaalsContact CA-O 3.31Å; F108-C132 WeakPolarHBondContact CA-O 3.19Å; F108-C132 WeakPolarHBondContact CB-O 3.2Å; M109-C132 PolarHBondContact N-O 3.46Å; M109-C132 PolarHBondContact O-N 2.63Å; C132-V137 HydrophobicContact CB-CG2 4.42Å |
| 133 | Y | 94.4 | Very high | 83.2 | Confident | 25 Ų | 25 | 63.2 Ų | 63.2 | 10% | 0.098 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 155.6 | 164.6 | -65.6 | -80.4 | 0 | 0 | 0 | 110.3 | L98 R106 K107 F108 F131 D135 E136 | L98-Y133 HydrophobicContact CB-CE1 4.47Å; R106-Y133 HydrophobicContact CB-CD1 3.49Å; R106-Y133 VanDerWaalsContact CB-CD1 3.49Å; R106-Y133 HydrophobicContact CB-CE1 3.7Å; R106-Y133 HydrophobicContact CB-CG 4.48Å; R106-Y133 HydrophobicContact CG-CD1 4.44Å; R106-Y133 HydrophobicContact CG-CE1 4.48Å; R106-Y133 VanDerWaalsContact NH1-CD2 3.26Å; K107-Y133 WeakPolarHBondContact O-CA 3.41Å; F108-Y133 HydrophobicContact CB-CD1 4.26Å; F131-Y133 AromaticContact CE1-CD1 3.9Å; F131-Y133 HydrophobicContact CE1-CD1 3.9Å; F131-Y133 AromaticContact CE1-CD2 3.63Å; F131-Y133 HydrophobicContact CE1-CD2 3.63Å; F131-Y133 AromaticContact CE1-CE1 3.78Å; F131-Y133 HydrophobicContact CE1-CE1 3.78Å; F131-Y133 AromaticContact CE1-CE2 3.5Å; F131-Y133 HydrophobicContact CE1-CE2 3.5Å; F131-Y133 VanDerWaalsContact CE1-CE2 3.5Å; F131-Y133 AromaticContact CE1-CG 3.84Å; F131-Y133 HydrophobicContact CE1-CG 3.84Å; F131-Y133 AromaticContact CE1-CZ 3.57Å; F131-Y133 AromaticContact CZ-CD1 3.91Å; F131-Y133 HydrophobicContact CZ-CD1 3.91Å; F131-Y133 HydrophobicContact CZ-CD2 4.41Å; F131-Y133 AromaticContact CZ-CE1 3.58Å; F131-Y133 HydrophobicContact CZ-CE1 3.58Å; F131-Y133 HydrophobicContact CZ-CE2 4.13Å; F131-Y133 HydrophobicContact CZ-CG 4.33Å; F131-Y133 AromaticContact CZ-CZ 3.7Å; Y133-D135 WeakPolarHBondContact CB-OD1 3.43Å; Y133-E136 VanDerWaalsContact CD2-OE1 3.29Å; Y133-E136 WeakPolarHBondContact CD2-OE1 3.3Å |
| 134 | E | 92 | Very high | 80.9 | Confident | 81 Ų | 81 | 67.2 Ų | 67.2 | 38% | 0.379 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -74.7 | -37.6 | -179.9 | -165.7 | 173.7 | 119.1 | 0 | 0 | 112.1 | K107 V137 F138 | K107-E134 HydrophobicContact CB-CB 3.87Å; K107-E134 HydrophobicContact CD-CB 4.45Å; K107-E134 HydrophobicContact CD-CG 4.44Å; K107-E134 WeakPolarHBondContact CD-OE1 3.39Å; K107-E134 WeakPolarHBondContact CD-OE2 3.29Å; K107-E134 WeakPolarHBondContact CE-OE1 3.2Å; K107-E134 IonicContact NZ-OE1 3.39Å; K107-E134 PolarHBondContact NZ-OE1 3.41Å; K107-E134 PolarHBondContact O-N 2.85Å; E134-V137 PolarHBondContact O-N 3.34Å; E134-F138 HydrophobicContact CG-CD2 3.8Å; E134-F138 HydrophobicContact CG-CE2 4.27Å; E134-F138 VanDerWaalsContact O-CD2 3.29Å; E134-F138 WeakPolarHBondContact O-CD2 3.33Å; E134-F138 PolarHBondContact O-N 3.42Å |
| 135 | D | 87.7 | Confident | 78.5 | Confident | 66 Ų | 66 | 71.7 Ų | 71.7 | 35% | 0.353 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -68.6 | -33.3 | 177.4 | 48.1 | 18.4 | 0 | 0 | 0 | 112.7 | R106 Y133 V137 G139 | R106-D135 IonicContact CZ-OD1 3.97Å; R106-D135 IonicContact CZ-OD2 3.1Å; R106-D135 IonicContact NE-OD1 3.69Å; R106-D135 PolarHBondContact NE-OD1 2.79Å; R106-D135 IonicContact NE-OD2 2.89Å; R106-D135 PolarHBondContact NE-OD2 2.99Å; R106-D135 IonicContact NH2-OD1 3.22Å; R106-D135 PolarHBondContact NH2-OD1 2.97Å; R106-D135 IonicContact NH2-OD2 3.29Å; Y133-D135 WeakPolarHBondContact CB-OD1 3.43Å; D135-V137 PolarHBondContact O-N 3.2Å; D135-G139 VanDerWaalsContact O-CA 3.25Å; D135-G139 WeakPolarHBondContact O-CA 3.37Å; D135-G139 PolarHBondContact O-N 2.93Å |
| 136 | E | 85.1 | Confident | 76 | Confident | 35 Ų | 35 | 74.6 Ų | 74.6 | 16% | 0.164 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -70.1 | -2.7 | 172.2 | -81.6 | 163.9 | -154.7 | 0 | 0 | 114.6 | G43 G44 I45 R106 Y133 | G43-E136 WeakPolarHBondContact CA-OE2 3.34Å; G44-E136 PolarHBondContact N-OE2 2.99Å; I45-E136 HydrophobicContact CG1-CG 4.49Å; R106-E136 IonicContact CZ-OE1 3.75Å; R106-E136 IonicContact NH1-OE1 2.62Å; R106-E136 PolarHBondContact NH1-OE1 3.03Å; R106-E136 VanDerWaalsContact NH1-OE1 3.1Å; R106-E136 VanDerWaalsContact NH2-CD 3.29Å; R106-E136 IonicContact NH2-OE1 1.89Å; R106-E136 PolarHBondContact NH2-OE1 2.83Å; Y133-E136 VanDerWaalsContact CD2-OE1 3.29Å; Y133-E136 WeakPolarHBondContact CD2-OE1 3.3Å |
| 137 | V | 80.5 | Confident | 73.4 | Confident | 73 Ų | 73 | 83.2 Ų | 83.2 | 44% | 0.442 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -123.7 | -22.6 | -179.6 | -179.2 | 0 | 0 | 0 | 0 | 112.3 | C132 E134 D135 | C132-V137 HydrophobicContact CB-CG2 4.42Å; E134-V137 PolarHBondContact O-N 3.34Å; D135-V137 PolarHBondContact O-N 3.2Å |
| 138 | F | 78.9 | Confident | 70.7 | Confident | 135 Ų | 135 | 89.5 Ų | 89.5 | 59% | 0.592 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -131.8 | -2.1 | -176.4 | -55.3 | -68.1 | 0 | 0 | 0 | 114.5 | E134 S141 | E134-F138 HydrophobicContact CG-CD2 3.8Å; E134-F138 HydrophobicContact CG-CE2 4.27Å; E134-F138 VanDerWaalsContact O-CD2 3.29Å; E134-F138 WeakPolarHBondContact O-CD2 3.33Å; E134-F138 PolarHBondContact O-N 3.42Å; F138-S141 PolarHBondContact O-N 3.03Å |
| 139 | G | 61 | Low | 68.1 | Low | 24 Ų | 24 | 91.6 Ų | 91.6 | 25% | 0.247 | 49% | 0.488 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -32.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | D135 S141 E142 | D135-G139 VanDerWaalsContact O-CA 3.25Å; D135-G139 WeakPolarHBondContact O-CA 3.37Å; D135-G139 PolarHBondContact O-N 2.93Å; G139-S141 PolarHBondContact O-N 2.99Å; G139-E142 PolarHBondContact O-N 3.38Å; G139-E142 VanDerWaalsContact O-N 3.11Å |
| 140 | D | 54.2 | Low | 65.5 | Low | 139 Ų | 139 | 100.2 Ų | 100.2 | 74% | 0.743 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63 | -10.4 | 178.6 | -54.6 | -24.8 | 0 | 0 | 0 | 112.7 | ||
| 141 | S | 48.7 | Very low | 62.8 | Low | 93 Ų | 93 | 105.3 Ų | 105.3 | 65% | 0.65 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -87.4 | -12.1 | 177.1 | -52.8 | 0 | 0 | 0 | 0 | 115.1 | F138 G139 | F138-S141 PolarHBondContact O-N 3.03Å; G139-S141 PolarHBondContact O-N 2.99Å |
| 142 | E | 48.9 | Very low | 60 | Low | 161 Ų | 161 | 113.8 Ų | 113.8 | 75% | 0.752 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -101.6 | -24.6 | 176.9 | -72.8 | -172.1 | 133.7 | 0 | 0 | 112.9 | G139 | G139-E142 PolarHBondContact O-N 3.38Å; G139-E142 VanDerWaalsContact O-N 3.11Å |
| 143 | A | 46.6 | Very low | 57.2 | Low | 64 Ų | 64 | 118.6 Ų | 118.6 | 53% | 0.529 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -81.4 | -38.2 | -166.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | L145 D146 | A143-L145 PolarHBondContact O-N 3.34Å; A143-L145 VanDerWaalsContact O-N 3.17Å; A143-D146 PolarHBondContact O-N 3.49Å |
| 144 | E | 44 | Very low | 54.7 | Low | 175 Ų | 175 | 126.2 Ų | 126.2 | 82% | 0.818 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | -3.6 | -176 | -64.7 | -165.3 | 153.8 | 0 | 0 | 113.8 | ||
| 145 | L | 46.6 | Very low | 52.2 | Low | 144 Ų | 144 | 131.6 Ų | 131.6 | 75% | 0.754 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -13.6 | 179.2 | -65.4 | 176.4 | 0 | 0 | 0 | 114.4 | A143 | A143-L145 PolarHBondContact O-N 3.34Å; A143-L145 VanDerWaalsContact O-N 3.17Å |
| 146 | D | 44.9 | Very low | 49.6 | Very low | 123 Ų | 123 | 137.5 Ų | 137.5 | 66% | 0.658 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -38.2 | 179.1 | -83.2 | -26.6 | 0 | 0 | 0 | 112.1 | A143 E148 S149 | A143-D146 PolarHBondContact O-N 3.49Å; D146-E148 PolarHBondContact O-N 2.88Å; D146-S149 PolarHBondContact O-N 2.79Å; D146-S149 PolarHBondContact O-OG 3.47Å |
| 147 | E | 43.5 | Very low | 47.7 | Very low | 182 Ų | 182 | 141.4 Ų | 141.4 | 85% | 0.85 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -76.9 | -18.9 | -167.9 | -66.2 | -159.2 | 163.8 | 0 | 0 | 115.8 | S149 | E147-S149 PolarHBondContact O-N 2.85Š|
| 148 | E | 41.7 | Very low | 45.8 | Very low | 195 Ų | 195 | 147.2 Ų | 147.2 | 91% | 0.911 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -77 | 3.9 | 174.7 | -69.3 | -158.8 | 146.6 | 0 | 0 | 114 | D146 | D146-E148 PolarHBondContact O-N 2.88Š|
| 149 | S | 42.9 | Very low | 43.7 | Very low | 88 Ų | 88 | 150.3 Ų | 150.3 | 62% | 0.615 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -109.5 | -6.3 | -168.1 | 73.6 | 0 | 0 | 0 | 0 | 117.2 | D146 E147 | D146-S149 PolarHBondContact O-N 2.79Å; D146-S149 PolarHBondContact O-OG 3.47Å; E147-S149 PolarHBondContact O-N 2.85Å |
| 150 | E | 44.4 | Very low | 42.4 | Very low | 180 Ų | 180 | 159.3 Ų | 159.3 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | trans | -120.5 | 36.3 | -172.7 | -64.4 | -158.2 | 159.5 | 0 | 0 | 115.8 | ||||
| 151 | E | 41.1 | Very low | 41.3 | Very low | 187 Ų | 187 | 161 Ų | 161 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -115.3 | 128.1 | 167 | -73.3 | -158.3 | 146.4 | 0 | 0 | 115 | ||||
| 152 | E | 38.3 | Very low | 40.5 | Very low | 178 Ų | 178 | 161 Ų | 161 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | trans | 50.9 | 98.9 | 159 | -57.8 | -163.8 | 157.1 | 0 | 0 | 121.3 | ||||
| 153 | V | 36.9 | Very low | 39.6 | Very low | 142 Ų | 142 | 158.4 Ų | 158.4 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | trans | -130.5 | 100.1 | 138.1 | -178.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 154 | E | 40 | Very low | 39.5 | Very low | 186 Ų | 186 | 161.1 Ų | 161.1 | 87% | 0.869 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 144.1 | 166 | -73.2 | -157.9 | 126.4 | 0 | 0 | 110.9 | ||
| 155 | E | 40.3 | Very low | 39 | Very low | 193 Ų | 193 | 161.1 Ų | 161.1 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 122.4 | 176.8 | -63.5 | -174.8 | 136.4 | 0 | 0 | 111.6 | ||
| 156 | E | 34 | Very low | 39.1 | Very low | 191 Ų | 191 | 159.3 Ų | 159.3 | 89% | 0.893 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 139.9 | 158.3 | -85.4 | -128.3 | 119.4 | 0 | 0 | 111 | ||
| 157 | P | 43.8 | Very low | 38.4 | Very low | 117 Ų | 117 | 160.4 Ų | 160.4 | 76% | 0.76 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 146 | -176.9 | 33.8 | -35.1 | 0 | 0 | 0 | 113.9 | ||
| 158 | E | 41.3 | Very low | 37.8 | Very low | 195 Ų | 195 | 158.4 Ų | 158.4 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 137.7 | 173.2 | -68.9 | -173.2 | 103.1 | 0 | 0 | 113.5 | ||
| 159 | E | 34.8 | Very low | 37.2 | Very low | 199 Ų | 199 | 156.2 Ų | 156.2 | 93% | 0.93 | 80% | 0.802 | S | S | * | * | trans | -131.4 | 170 | 145.3 | -135.3 | -178.1 | -170.4 | 0 | 0 | 111.3 | ||||
| 160 | R | 34.2 | Very low | 36.4 | Very low | 214 Ų | 214 | 157.3 Ų | 157.3 | 81% | 0.808 | 81% | 0.809 | S | S | * | * | trans | -135.8 | 150 | -135.7 | -151.1 | -172.6 | -171.1 | -176 | 6.5 | 114.4 | ||||
| 161 | Q | 31.6 | Very low | 36.5 | Very low | 173 Ų | 173 | 153.6 Ų | 153.6 | 81% | 0.808 | 80% | 0.801 | S | S | * | * | trans | 76.4 | 149.5 | 167.7 | -53.7 | -174.3 | -0.2 | 0 | 0 | 115.7 | ||||
| 162 | A | 30.7 | Very low | 35.9 | Very low | 95 Ų | 95 | 152.2 Ų | 152.2 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | cis | -157.9 | 168.5 | -12.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 163 | S | 29.2 | Very low | 35.4 | Very low | 105 Ų | 105 | 148.4 Ų | 148.4 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | -85.4 | 154.9 | 173.9 | -160.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 164 | P | 46 | Very low | 35 | Very low | 122 Ų | 122 | 147.3 Ų | 147.3 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | -143.6 | 168.8 | 86.8 | 38.9 | -22.8 | 0 | 0 | 0 | 116.6 | |||||
| 165 | E | 32.6 | Very low | 34.6 | Very low | 174 Ų | 174 | 143.6 Ų | 143.6 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | trans | -70.5 | -174.8 | 165.2 | -56.1 | -176.3 | 95.2 | 0 | 0 | 112.2 | ||||
| 166 | P | 48.8 | Very low | 34.3 | Very low | 107 Ų | 107 | 144.5 Ų | 144.5 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | cis | -145 | 171.7 | 7.8 | 27.8 | -0.9 | 0 | 0 | 0 | 120.4 | ||||
| 167 | L | 30.9 | Very low | 34.2 | Very low | 145 Ų | 145 | 145.3 Ų | 145.3 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | trans | 70.7 | 130.7 | 144.8 | -72.4 | 163 | 0 | 0 | 0 | 124.7 | ||||
| 168 | Q | 30.9 | Very low | 33.6 | Very low | 141 Ų | 141 | 147.7 Ų | 147.7 | 66% | 0.659 | 77% | 0.77 | S | S | * | * | trans | 80.8 | 118.4 | 135.1 | -78 | 176 | -65.1 | 0 | 0 | 125.1 | ||||
| 169 | E | 27.9 | Very low | 33.2 | Very low | 149 Ų | 149 | 141.7 Ų | 141.7 | 70% | 0.696 | 75% | 0.754 | S | S | * | * | trans | 67.8 | 100.6 | 130 | -69.1 | 172.9 | -137.4 | 0 | 0 | 122.6 | ||||
| 170 | S | 26.9 | Very low | 33.4 | Very low | 110 Ų | 110 | 141.1 Ų | 141.1 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | 66.6 | 162 | 114.7 | -55 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 171 | P | 45.8 | Very low | 34.1 | Very low | 103 Ų | 103 | 137 Ų | 137 | 67% | 0.669 | 75% | 0.752 | S | S | * | * | -133 | 167.7 | -50.9 | 38.9 | -25.6 | 0 | 0 | 0 | 112.5 | |||||
| 172 | N | 28.5 | Very low | 34.1 | Very low | 158 Ų | 158 | 135.3 Ų | 135.3 | 85% | 0.845 | 75% | 0.754 | S | S | * | * | 174 | 133.2 | 123.1 | -94.1 | -35.1 | 0 | 0 | 0 | 116.7 | |||||
| 173 | S | 28.8 | Very low | 34.3 | Very low | 98 Ų | 98 | 134.5 Ų | 134.5 | 69% | 0.685 | 75% | 0.747 | S | S | * | * | trans | 75.2 | 146.2 | 139.5 | -167.9 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 174 | T | 28.9 | Very low | 34.5 | Very low | 118 Ų | 118 | 137.5 Ų | 137.5 | 72% | 0.724 | 76% | 0.755 | S | S | * | * | trans | 70.5 | 116 | 159.1 | 18.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 175 | T | 30 | Very low | 33.8 | Very low | 109 Ų | 109 | 135.1 Ų | 135.1 | 67% | 0.669 | 75% | 0.752 | S | S | * | * | cis | -158.3 | 159 | 11.8 | -27.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 176 | Y | 33.9 | Very low | 33.8 | Very low | 212 Ų | 212 | 133.6 Ų | 133.6 | 83% | 0.831 | 75% | 0.754 | S | S | * | * | trans | 79.8 | 98.9 | 163.1 | -75.3 | -71.2 | 0 | 0 | 0 | 121.5 | ||||
| 177 | Y | 32.2 | Very low | 33.1 | Very low | 208 Ų | 208 | 137.6 Ų | 137.6 | 82% | 0.816 | 76% | 0.764 | S | S | * | * | trans | -86.6 | -172.8 | 141.7 | -76.2 | -139.8 | 0 | 0 | 0 | 107.6 | ||||
| 178 | E | 31.9 | Very low | 33.5 | Very low | 166 Ų | 166 | 139.4 Ų | 139.4 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | cis | -161.9 | 145.9 | 12.7 | -143.9 | 153.5 | -100.9 | 0 | 0 | 105.6 | ||||
| 179 | A | 32.8 | Very low | 34.1 | Very low | 70 Ų | 70 | 137.9 Ų | 137.9 | 58% | 0.579 | 77% | 0.771 | S | S | * | * | cis | 98.7 | 128.3 | 21.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 180 | H | 39.3 | Very low | 34.2 | Very low | 186 Ų | 186 | 139.9 Ų | 139.9 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | trans | 67.3 | 169.9 | 173.8 | -57.4 | -55.4 | 0 | 0 | 0 | 115.6 | ||||
| 181 | P | 49.5 | Very low | 34.7 | Very low | 128 Ų | 128 | 143.3 Ų | 143.3 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | cis | -133.7 | -132.8 | 16.4 | 43.7 | -22.4 | 0 | 0 | 0 | 116.8 | ||||
| 182 | V | 30.6 | Very low | 34.4 | Very low | 138 Ų | 138 | 147 Ų | 147 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | trans | -124.9 | 158.1 | -139.3 | -138.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 183 | A | 34.3 | Very low | 35.1 | Very low | 78 Ų | 78 | 145.6 Ų | 145.6 | 65% | 0.645 | 79% | 0.794 | S | S | * | * | trans | 97 | 131.9 | 132.8 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 184 | N | 33.2 | Very low | 35.7 | Very low | 168 Ų | 168 | 145.2 Ų | 145.2 | 90% | 0.898 | 80% | 0.797 | S | S | * | * | trans | 67.1 | 131.8 | 147.9 | -60.3 | -4.5 | 0 | 0 | 0 | 121.1 | ||||
| 185 | G | 31.3 | Very low | 36.3 | Very low | 72 Ų | 72 | 145.6 Ų | 145.6 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | trans | -157.8 | -28.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 186 | V | 32.9 | Very low | 37 | Very low | 141 Ų | 141 | 149.6 Ų | 149.6 | 86% | 0.855 | 81% | 0.812 | S | S | * | * | trans | 70.8 | 157.5 | 166.9 | -172.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 187 | E | 35.3 | Very low | 37.6 | Very low | 191 Ų | 191 | 145.4 Ų | 145.4 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | trans | 87.6 | 159.4 | 176.1 | -53.3 | -148 | 152.1 | 0 | 0 | 119.2 | ||||
| 188 | E | 38 | Very low | 38 | Very low | 184 Ų | 184 | 144.5 Ų | 144.5 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | -127.2 | -155.9 | -143.8 | -143.1 | -171.1 | -160.2 | 0 | 0 | 112.8 | ||||
| 189 | P | 43.7 | Very low | 38.6 | Very low | 109 Ų | 109 | 142.6 Ų | 142.6 | 71% | 0.708 | 82% | 0.816 | S | S | * | * | trans | -105.6 | 177.4 | -134 | 41.5 | -27.2 | 0 | 0 | 0 | 115.4 | ||||
| 190 | M | 31.3 | Very low | 38.9 | Very low | 190 Ų | 190 | 148.5 Ų | 148.5 | 94% | 0.936 | 83% | 0.832 | S | S | * | * | trans | -142.9 | 140.3 | 163.5 | -172 | 166.2 | 175.1 | 0 | 0 | 110.8 | ||||
| 191 | E | 36.2 | Very low | 39.4 | Very low | 183 Ų | 183 | 145 Ų | 145 | 86% | 0.855 | 83% | 0.825 | S | S | * | * | trans | -97.4 | -174.7 | -165.7 | -72.3 | 176.5 | 109.7 | 0 | 0 | 115 | ||||
| 192 | E | 40.3 | Very low | 38.6 | Very low | 181 Ų | 181 | 146.9 Ų | 146.9 | 85% | 0.846 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 155 | -177 | -52.4 | 176 | 116.5 | 0 | 0 | 115.7 | ||
| 193 | P | 42.5 | Very low | 38.7 | Very low | 128 Ų | 128 | 148 Ų | 148 | 83% | 0.831 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 121.3 | 152.4 | 33.8 | -26.5 | 0 | 0 | 0 | 111.8 | ||
| 194 | A | 42.4 | Very low | 38.9 | Very low | 90 Ų | 90 | 151 Ų | 151 | 74% | 0.744 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 171.1 | 171 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 195 | P | 41.1 | Very low | 39.3 | Very low | 126 Ų | 126 | 149.2 Ų | 149.2 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 159.4 | -160.2 | 33.3 | -36.5 | 0 | 0 | 0 | 116.1 | ||
| 196 | E | 43.2 | Very low | 39.3 | Very low | 192 Ų | 192 | 153.1 Ų | 153.1 | 90% | 0.897 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 151.8 | 172.6 | -64.3 | -171.1 | 133.6 | 0 | 0 | 112.9 | ||
| 197 | P | 46.7 | Very low | 39.5 | Very low | 124 Ų | 124 | 152 Ų | 152 | 81% | 0.805 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 164.7 | -171 | 37.9 | -37.2 | 0 | 0 | 0 | 116.1 | ||
| 198 | E | 41.2 | Very low | 39.3 | Very low | 190 Ų | 190 | 151.2 Ų | 151.2 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -74 | 154.9 | 173.7 | -58.2 | 176.9 | 122.5 | 0 | 0 | 113.8 | ||
| 199 | P | 45.5 | Very low | 38.9 | Very low | 126 Ų | 126 | 150.8 Ų | 150.8 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -107.6 | 129.1 | 167.9 | 35.8 | -27.8 | 0 | 0 | 0 | 114.2 | ||||
| 200 | E | 38.8 | Very low | 38.3 | Very low | 194 Ų | 194 | 152.6 Ų | 152.6 | 91% | 0.907 | 81% | 0.811 | S | S | * | * | trans | -113.7 | 165.1 | 163.5 | -92.8 | -150.7 | 146.2 | 0 | 0 | 112.1 | ||||
| 201 | P | 49.9 | Very low | 38.1 | Very low | 111 Ų | 111 | 150.6 Ų | 150.6 | 72% | 0.721 | 80% | 0.797 | S | S | * | * | trans | -117.5 | 147.3 | -149.9 | 40 | -31 | 0 | 0 | 0 | 118.1 | ||||
| 202 | E | 32.3 | Very low | 38.4 | Very low | 168 Ų | 168 | 147.1 Ų | 147.1 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -152 | 158.3 | 167.9 | -69.7 | -154 | 125.5 | 0 | 0 | 110.1 | ||||
| 203 | Q | 33.2 | Very low | 37.9 | Very low | 163 Ų | 163 | 145.2 Ų | 145.2 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | cis | -159.1 | -173.9 | -19 | -106.5 | -162.8 | 57 | 0 | 0 | 109.6 | ||||
| 204 | E | 38.1 | Very low | 37.3 | Very low | 139 Ų | 139 | 144.7 Ų | 144.7 | 65% | 0.65 | 78% | 0.775 | S | S | * | * | trans | -64.6 | 164.3 | -178.2 | -63.7 | -170 | 159 | 0 | 0 | 115.7 | K206 | E204-K206 VanDerWaalsContact CD-NZ 3.33Å; E204-K206 IonicContact OE1-NZ 3.81Å; E204-K206 PolarHBondContact OE1-NZ 3.42Å; E204-K206 VanDerWaalsContact OE1-NZ 3.11Å; E204-K206 IonicContact OE2-NZ 3.59Å; E204-K206 PolarHBondContact OE2-NZ 3.21Å | ||
| 205 | P | 41.5 | Very low | 36.8 | Very low | 132 Ų | 132 | 148.3 Ų | 148.3 | 86% | 0.857 | 78% | 0.777 | S | S | * | * | -128.3 | 168.9 | 125 | 38.5 | -32.9 | 0 | 0 | 0 | 114.4 | |||||
| 206 | K | 30.8 | Very low | 36.3 | Very low | 154 Ų | 154 | 149.4 Ų | 149.4 | 67% | 0.67 | 77% | 0.771 | S | S | * | * | trans | -156.3 | 167.6 | -164.4 | -158.7 | -175.7 | -129.1 | 113.3 | 0 | 111.6 | E204 | E204-K206 VanDerWaalsContact CD-NZ 3.33Å; E204-K206 IonicContact OE1-NZ 3.81Å; E204-K206 PolarHBondContact OE1-NZ 3.42Å; E204-K206 VanDerWaalsContact OE1-NZ 3.11Å; E204-K206 IonicContact OE2-NZ 3.59Å; E204-K206 PolarHBondContact OE2-NZ 3.21Å | ||
| 207 | V | 36.5 | Very low | 35.7 | Very low | 117 Ų | 117 | 148.8 Ų | 148.8 | 71% | 0.709 | 77% | 0.766 | S | S | * | * | trans | 77.2 | 146 | 171.5 | -160.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 208 | E | 32.3 | Very low | 34.9 | Very low | 175 Ų | 175 | 146.1 Ų | 146.1 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | cis | -139.2 | -165.9 | 23.1 | -153.2 | 137.6 | -127 | 0 | 0 | 115.5 | ||||
| 209 | E | 30.2 | Very low | 34.4 | Very low | 174 Ų | 174 | 144.8 Ų | 144.8 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | trans | -93.2 | 175.6 | -162.9 | -53.1 | 179.3 | 89.5 | 0 | 0 | 116.9 | ||||
| 210 | V | 30.8 | Very low | 33.8 | Very low | 148 Ų | 148 | 146.6 Ų | 146.6 | 90% | 0.897 | 75% | 0.747 | S | S | * | * | -175.2 | 147 | 119.4 | 145.4 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 211 | K | 26.8 | Very low | 33.5 | Very low | 147 Ų | 147 | 144.5 Ų | 144.5 | 64% | 0.639 | 74% | 0.737 | S | S | * | * | trans | -97 | 164.2 | 177.9 | -139 | -164.2 | -178.9 | -174.4 | 0 | 110.9 | E213 | K211-E213 HydrophobicContact CD-CG 3.99Å; K211-E213 IonicContact NZ-OE1 3.51Å; K211-E213 PolarHBondContact NZ-OE1 3.42Å | ||
| 212 | P | 41.5 | Very low | 32.6 | Very low | 111 Ų | 111 | 146 Ų | 146 | 72% | 0.721 | 74% | 0.736 | S | S | * | * | -129.7 | 169.6 | 63.4 | 9.4 | 17.5 | 0 | 0 | 0 | 113 | |||||
| 213 | E | 30.1 | Very low | 32.6 | Very low | 140 Ų | 140 | 144.9 Ų | 144.9 | 65% | 0.654 | 73% | 0.731 | S | S | * | * | 61 | 140.9 | 61 | -57.3 | -176.6 | 158.6 | 0 | 0 | 113.9 | K211 | K211-E213 HydrophobicContact CD-CG 3.99Å; K211-E213 IonicContact NZ-OE1 3.51Å; K211-E213 PolarHBondContact NZ-OE1 3.42Å | |||
| 214 | V | 30.6 | Very low | 32.6 | Very low | 117 Ų | 117 | 143.5 Ų | 143.5 | 71% | 0.709 | 73% | 0.725 | S | S | * | * | cis | -161.9 | 158.7 | -1.1 | 113.8 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 215 | E | 31.1 | Very low | 32.2 | Very low | 166 Ų | 166 | 144.9 Ų | 144.9 | 78% | 0.776 | 73% | 0.729 | S | S | * | * | 179.7 | -170.8 | 77.5 | -155.7 | 151.9 | -112 | 0 | 0 | 112.8 | |||||
| 216 | E | 32 | Very low | 31.7 | Very low | 149 Ų | 149 | 142.7 Ų | 142.7 | 70% | 0.696 | 72% | 0.721 | S | S | * | * | trans | -97.6 | 158.8 | -161.6 | -42.9 | 167.7 | 118.1 | 0 | 0 | 117.4 | ||||
| 217 | K | 30.3 | Very low | 32.4 | Very low | 180 Ų | 180 | 141.8 Ų | 141.8 | 78% | 0.783 | 73% | 0.731 | S | S | * | * | 157.1 | 160.6 | 119.5 | -88.3 | 148.3 | -169.8 | 153.1 | 0 | 112.9 | |||||
| 218 | A | 30.2 | Very low | 32.1 | Very low | 68 Ų | 68 | 141.4 Ų | 141.4 | 56% | 0.562 | 73% | 0.734 | S | S | * | * | cis | 178 | 163.2 | -32.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 219 | M | 30.4 | Very low | 33.1 | Very low | 161 Ų | 161 | 139 Ų | 139 | 79% | 0.793 | 73% | 0.734 | S | S | * | * | trans | 68.8 | 130.4 | 171.4 | -64.6 | 121.4 | -173.2 | 0 | 0 | 116.2 | ||||
| 220 | E | 32.6 | Very low | 33.4 | Very low | 164 Ų | 164 | 135.1 Ų | 135.1 | 77% | 0.766 | 73% | 0.731 | S | S | * | * | 81 | 137.7 | 51.5 | -67.8 | 168.8 | 152 | 0 | 0 | 112.4 | |||||
| 221 | E | 31.6 | Very low | 34.2 | Very low | 150 Ų | 150 | 133.4 Ų | 133.4 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | cis | -160.3 | 170.7 | 0.4 | -137.8 | -173.3 | 157 | 0 | 0 | 111.3 | ||||
| 222 | M | 31.3 | Very low | 34.6 | Very low | 143 Ų | 143 | 132.8 Ų | 132.8 | 70% | 0.704 | 73% | 0.731 | S | S | * | * | trans | 36.3 | 154.6 | 142.9 | -83.6 | -172.5 | 166.2 | 0 | 0 | 123.9 | ||||
| 223 | E | 32.7 | Very low | 34.2 | Very low | 145 Ų | 145 | 136.2 Ų | 136.2 | 68% | 0.678 | 74% | 0.737 | S | S | * | * | cis | -158.4 | -160.2 | -4.6 | -140.3 | -172.2 | 130.1 | 0 | 0 | 112.9 | ||||
| 224 | E | 33.8 | Very low | 34.6 | Very low | 133 Ų | 133 | 134.3 Ų | 134.3 | 62% | 0.621 | 74% | 0.74 | S | S | * | * | trans | -53.4 | -179.1 | -178.7 | -58.9 | -165 | 114.1 | 0 | 0 | 118.8 | ||||
| 225 | K | 28.3 | Very low | 35.7 | Very low | 169 Ų | 169 | 134 Ų | 134 | 74% | 0.735 | 74% | 0.74 | S | S | * | * | cis | -159.1 | 172.8 | 12.1 | -144.7 | 174.6 | -171.1 | 78.9 | 0 | 111.9 | ||||
| 226 | A | 33 | Very low | 36.5 | Very low | 85 Ų | 85 | 131.6 Ų | 131.6 | 70% | 0.702 | 74% | 0.739 | S | S | * | * | trans | -104.1 | 165.8 | 168 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 227 | P | 44.5 | Very low | 36.5 | Very low | 136 Ų | 136 | 132.6 Ų | 132.6 | 88% | 0.883 | 75% | 0.749 | S | S | * | * | -150.8 | -173 | 102.7 | 39.6 | -21.4 | 0 | 0 | 0 | 116.2 | |||||
| 228 | S | 29.9 | Very low | 36.7 | Very low | 109 Ų | 109 | 128 Ų | 128 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | trans | -136.8 | 162.3 | -179.7 | -170.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 229 | P | 52.9 | Low | 37.1 | Very low | 125 Ų | 125 | 134.1 Ų | 134.1 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | -149.4 | -174.2 | 96.2 | 37.2 | -16.7 | 0 | 0 | 0 | 116.3 | |||||
| 230 | A | 37 | Very low | 37.8 | Very low | 91 Ų | 91 | 133.8 Ų | 133.8 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | trans | -101.7 | -157.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 231 | P | 47 | Very low | 38.2 | Very low | 113 Ų | 113 | 131.3 Ų | 131.3 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | cis | -150.5 | -175.2 | 41.4 | 40.3 | -16 | 0 | 0 | 0 | 119.5 | ||||
| 232 | V | 36.7 | Very low | 38.6 | Very low | 133 Ų | 133 | 129.1 Ų | 129.1 | 81% | 0.806 | 76% | 0.764 | S | S | * | * | trans | 59 | 153.7 | 167.6 | -91.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 233 | E | 32.7 | Very low | 39.3 | Very low | 183 Ų | 183 | 129.8 Ų | 129.8 | 86% | 0.855 | 76% | 0.763 | S | S | * | * | cis | -140.3 | -170.4 | 12.3 | -152.2 | 163.1 | -148.8 | 0 | 0 | 112.9 | ||||
| 234 | S | 38 | Very low | 39.7 | Very low | 100 Ų | 100 | 128.9 Ų | 128.9 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | trans | -157.8 | -176.1 | -168.9 | 74 | 0 | 0 | 0 | 0 | 112 | ||||
| 235 | P | 53.8 | Low | 40.4 | Very low | 112 Ų | 112 | 130.6 Ų | 130.6 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | cis | -121.5 | -111.9 | -11 | 29.7 | -6.5 | 0 | 0 | 0 | 110.2 | ||||
| 236 | P | 48.9 | Very low | 41 | Very low | 115 Ų | 115 | 127 Ų | 127 | 75% | 0.747 | 77% | 0.771 | S | S | * | * | -128.1 | 149.7 | -51.8 | 31.5 | -12.9 | 0 | 0 | 0 | 116.3 | |||||
| 237 | N | 31.2 | Very low | 41.5 | Very low | 169 Ų | 169 | 131.4 Ų | 131.4 | 90% | 0.904 | 77% | 0.77 | S | S | * | * | trans | -155.1 | 156.4 | 132.5 | -164.4 | 15 | 0 | 0 | 0 | 110.2 | ||||
| 238 | A | 33.5 | Very low | 41.3 | Very low | 85 Ų | 85 | 129 Ų | 129 | 70% | 0.702 | 76% | 0.762 | S | S | * | * | trans | -115.3 | 151.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 239 | Q | 38.6 | Very low | 41.7 | Very low | 196 Ų | 196 | 128.6 Ų | 128.6 | 92% | 0.916 | 76% | 0.759 | S | S | * | * | trans | -134.9 | 126.4 | 165 | -106.1 | -179.8 | -12.2 | 0 | 0 | 109.4 | ||||
| 240 | E | 46 | Very low | 41.3 | Very low | 153 Ų | 153 | 126.3 Ų | 126.3 | 72% | 0.715 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 146.7 | 171.3 | -80.9 | -169.6 | 89.6 | 0 | 0 | 111.2 | K243 | E240-K243 IonicContact OE1-NZ 2.64Å; E240-K243 PolarHBondContact OE1-NZ 2.84Å; E240-K243 IonicContact OE2-NZ 2.68Å |
| 241 | P | 40 | Very low | 41.9 | Very low | 113 Ų | 113 | 128.2 Ų | 128.2 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 141.6 | 169.1 | 30.3 | -34.3 | 0 | 0 | 0 | 111.4 | K243 | P241-K243 PolarHBondContact O-N 3.01Š|
| 242 | A | 40.5 | Very low | 41.7 | Very low | 104 Ų | 104 | 127.8 Ų | 127.8 | 86% | 0.86 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 129.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 243 | K | 45.7 | Very low | 42.2 | Very low | 156 Ų | 156 | 129.9 Ų | 129.9 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -82 | 131.9 | 178 | -71 | 147.6 | 178.6 | 149.7 | 0 | 109.8 | E240 P241 | E240-K243 IonicContact OE1-NZ 2.64Å; E240-K243 PolarHBondContact OE1-NZ 2.84Å; E240-K243 IonicContact OE2-NZ 2.68Å; P241-K243 PolarHBondContact O-N 3.01Å |
| 244 | P | 40.9 | Very low | 42.5 | Very low | 127 Ų | 127 | 128.8 Ų | 128.8 | 83% | 0.825 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 133.2 | -178.4 | 27.2 | -34.1 | 0 | 0 | 0 | 111.8 | S246 | P244-S246 PolarHBondContact O-N 3.2Š|
| 245 | F | 48.3 | Very low | 43 | Very low | 169 Ų | 169 | 132 Ų | 132 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | trans | -81.9 | 111.2 | -174.7 | -164.5 | -83.5 | 0 | 0 | 0 | 111.2 | W247 | F245-W247 AromaticContact CD1-CE3 3.64Å; F245-W247 HydrophobicContact CD1-CE3 3.64Å; F245-W247 AromaticContact CD1-CZ3 3.59Å; F245-W247 HydrophobicContact CD1-CZ3 3.59Å; F245-W247 AromaticContact CE1-CE3 3.66Å; F245-W247 HydrophobicContact CE1-CE3 3.66Å; F245-W247 HydrophobicContact CE1-CH2 4.22Å; F245-W247 AromaticContact CE1-CZ3 3.45Å; F245-W247 HydrophobicContact CE1-CZ3 3.45Å; F245-W247 VanDerWaalsContact CE1-CZ3 3.45Å | ||
| 246 | S | 42.4 | Very low | 42.8 | Very low | 92 Ų | 92 | 132.3 Ų | 132.3 | 64% | 0.643 | 75% | 0.753 | S | S | * | * | trans | -93.3 | 129.2 | -177.7 | -176.8 | 0 | 0 | 0 | 0 | 112.3 | P244 A248 | P244-S246 PolarHBondContact O-N 3.2Å; S246-A248 VanDerWaalsContact C-N 3.3Å; S246-A248 PolarHBondContact O-N 3.18Å | ||
| 247 | W | 41.9 | Very low | 42.4 | Very low | 179 Ų | 179 | 132.7 Ų | 132.7 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | trans | -83.2 | 4.8 | -170 | -140.8 | -96.5 | 0 | 0 | 0 | 115.5 | F245 S249 V250 | F245-W247 AromaticContact CD1-CE3 3.64Å; F245-W247 HydrophobicContact CD1-CE3 3.64Å; F245-W247 AromaticContact CD1-CZ3 3.59Å; F245-W247 HydrophobicContact CD1-CZ3 3.59Å; F245-W247 AromaticContact CE1-CE3 3.66Å; F245-W247 HydrophobicContact CE1-CE3 3.66Å; F245-W247 HydrophobicContact CE1-CH2 4.22Å; F245-W247 AromaticContact CE1-CZ3 3.45Å; F245-W247 HydrophobicContact CE1-CZ3 3.45Å; F245-W247 VanDerWaalsContact CE1-CZ3 3.45Å; W247-S249 PolarHBondContact O-N 2.94Å; W247-V250 HydrophobicContact CD2-CG2 4.19Å; W247-V250 HydrophobicContact CG-CG2 4.21Å; W247-V250 HydrophobicContact CZ2-CG2 4.38Å | ||
| 248 | A | 40.6 | Very low | 42.7 | Very low | 85 Ų | 85 | 130.9 Ų | 130.9 | 70% | 0.702 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -0.2 | -174 | 0 | 0 | 0 | 0 | 0 | 115.7 | S246 | S246-A248 VanDerWaalsContact C-N 3.3Å; S246-A248 PolarHBondContact O-N 3.18Å |
| 249 | S | 38.7 | Very low | 42.7 | Very low | 100 Ų | 100 | 129.7 Ų | 129.7 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.5 | -1.8 | -172.7 | -57.1 | 0 | 0 | 0 | 0 | 115 | W247 | W247-S249 PolarHBondContact O-N 2.94Š|
| 250 | V | 44.9 | Very low | 42.4 | Very low | 77 Ų | 77 | 127.7 Ų | 127.7 | 47% | 0.467 | 75% | 0.754 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.7 | 8.1 | -164.8 | -164.9 | 0 | 0 | 0 | 0 | 113.7 | W247 | W247-V250 HydrophobicContact CD2-CG2 4.19Å; W247-V250 HydrophobicContact CG-CG2 4.21Å; W247-V250 HydrophobicContact CZ2-CG2 4.38Å |
| 251 | T | 48.9 | Very low | 42 | Very low | 131 Ų | 131 | 127.2 Ų | 127.2 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.1 | 10.2 | -176.1 | 50.3 | 0 | 0 | 0 | 0 | 115 | ||
| 252 | S | 44.3 | Very low | 41.6 | Very low | 104 Ų | 104 | 129 Ų | 129 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -124 | -12.7 | -177.1 | -49 | 0 | 0 | 0 | 0 | 115.8 | ||
| 253 | K | 46.2 | Very low | 41.1 | Very low | 177 Ų | 177 | 129.2 Ų | 129.2 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -145.8 | 138.4 | 179.5 | -64 | -175.8 | -179.2 | 177.6 | 0 | 109.6 | ||
| 254 | N | 39.7 | Very low | 40.6 | Very low | 160 Ų | 160 | 127.7 Ų | 127.7 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | trans | 99.9 | 60 | -176.2 | -55.1 | -16.7 | 0 | 0 | 0 | 116.1 | ||||
| 255 | L | 48 | Very low | 40.1 | Very low | 167 Ų | 167 | 124.8 Ų | 124.8 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -102 | 135.4 | 139 | -83.5 | 75.2 | 0 | 0 | 0 | 107.3 | ||
| 256 | P | 48.6 | Very low | 39.3 | Very low | 119 Ų | 119 | 125.1 Ų | 125.1 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 142 | 171.8 | 30.6 | -33.2 | 0 | 0 | 0 | 110.7 | ||
| 257 | P | 42 | Very low | 38.7 | Very low | 124 Ų | 124 | 126.3 Ų | 126.3 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 149 | 167 | 31.4 | -34 | 0 | 0 | 0 | 110.4 | ||
| 258 | S | 36.4 | Very low | 39.1 | Very low | 131 Ų | 131 | 123.3 Ų | 123.3 | 92% | 0.916 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -75 | 142.4 | -178.3 | -172.6 | 0 | 0 | 0 | 0 | 112.8 | ||
| 259 | G | 34.6 | Very low | 38.7 | Very low | 60 Ų | 60 | 128.1 Ų | 128.1 | 62% | 0.619 | 80% | 0.795 | S | S | * | * | trans | 95.8 | 99.6 | 156.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 260 | T | 31.9 | Very low | 38.4 | Very low | 154 Ų | 154 | 128.6 Ų | 128.6 | 95% | 0.945 | 79% | 0.793 | S | S | * | * | -175.6 | 156.4 | 116.2 | 22.1 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 261 | V | 37.3 | Very low | 37.9 | Very low | 143 Ų | 143 | 131.9 Ų | 131.9 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | trans | -116.5 | 137.2 | -176.3 | -79.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 262 | T | 30.8 | Very low | 37.1 | Very low | 150 Ų | 150 | 134.8 Ų | 134.8 | 92% | 0.92 | 82% | 0.815 | S | S | * | * | trans | -143.3 | 157.3 | 160.3 | 46.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 263 | S | 30.7 | Very low | 36.3 | Very low | 108 Ų | 108 | 133.7 Ų | 133.7 | 76% | 0.755 | 81% | 0.812 | S | S | * | * | trans | -108.5 | 172.2 | -158.6 | 54.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 264 | S | 35.1 | Very low | 35.5 | Very low | 125 Ų | 125 | 131.3 Ų | 131.3 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | trans | 71.3 | 150.5 | 172.9 | 77.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 265 | G | 30.3 | Very low | 35.1 | Very low | 65 Ų | 65 | 128.7 Ų | 128.7 | 67% | 0.67 | 81% | 0.807 | S | S | * | * | cis | 165.6 | 156.3 | -10.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 266 | L | 31.4 | Very low | 34.5 | Very low | 177 Ų | 177 | 126.2 Ų | 126.2 | 93% | 0.927 | 80% | 0.804 | S | S | * | * | trans | 75.2 | 144.2 | 171.5 | -52.3 | 179.2 | 0 | 0 | 0 | 119.2 | ||||
| 267 | S | 30.7 | Very low | 33.8 | Very low | 117 Ų | 117 | 129.9 Ų | 129.9 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -164.8 | 168 | 171.1 | -71.2 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 268 | P | 50.2 | Low | 33.4 | Very low | 116 Ų | 116 | 128.1 Ų | 128.1 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | cis | -122.7 | -168.8 | -7 | 41.8 | -28 | 0 | 0 | 0 | 111.9 | ||||
| 269 | H | 32.1 | Very low | 33 | Very low | 185 Ų | 185 | 132.3 Ų | 132.3 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | trans | -143.1 | 149.1 | 147.5 | -144.9 | -80.5 | 0 | 0 | 0 | 112.6 | ||||
| 270 | V | 32.5 | Very low | 32.8 | Very low | 110 Ų | 110 | 134.8 Ų | 134.8 | 67% | 0.667 | 81% | 0.805 | S | S | * | * | trans | -104.9 | 149 | -179.3 | 171.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 271 | V | 33.8 | Very low | 32.8 | Very low | 146 Ų | 146 | 135 Ų | 135 | 89% | 0.885 | 80% | 0.795 | S | S | * | * | trans | -137 | 153 | 156 | -152.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 272 | K | 31.9 | Very low | 32.5 | Very low | 192 Ų | 192 | 133.3 Ų | 133.3 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | -147.5 | 169.1 | -170.8 | -179.8 | 176.6 | 176.1 | -178 | 0 | 109.8 | ||||
| 273 | A | 28.6 | Very low | 32.5 | Very low | 82 Ų | 82 | 134.9 Ų | 134.9 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | trans | 85.7 | 150.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 274 | T | 28.3 | Very low | 32.4 | Very low | 126 Ų | 126 | 138.2 Ų | 138.2 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | cis | -167.3 | 130.5 | -6.9 | 15.4 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 275 | S | 32.2 | Very low | 32.1 | Very low | 106 Ų | 106 | 139 Ų | 139 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | 90.6 | 110.1 | 70.4 | 82 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 276 | S | 34.7 | Very low | 32 | Very low | 114 Ų | 114 | 140.9 Ų | 140.9 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | -170.5 | 129.2 | 150.9 | 37.8 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 277 | Q | 34.7 | Very low | 31.8 | Very low | 196 Ų | 196 | 141.5 Ų | 141.5 | 92% | 0.916 | 78% | 0.78 | S | S | * | * | 70.1 | 129.5 | 50 | -70.7 | -164.2 | -17.6 | 0 | 0 | 114.4 | |||||
| 278 | A | 32.5 | Very low | 31.7 | Very low | 87 Ų | 87 | 140.4 Ų | 140.4 | 72% | 0.719 | 78% | 0.778 | S | S | * | * | cis | -169 | 171.6 | -9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 279 | R | 27.8 | Very low | 30.7 | Very low | 219 Ų | 219 | 141.2 Ų | 141.2 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | trans | 74.4 | 155.5 | 155.4 | -116.7 | -175.7 | 158.3 | 164.5 | -5.1 | 116.9 | ||||
| 280 | V | 31.8 | Very low | 31.1 | Very low | 112 Ų | 112 | 137.7 Ų | 137.7 | 68% | 0.679 | 78% | 0.775 | S | S | * | * | cis | -139.7 | 172.3 | 8.7 | -154.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 281 | E | 30.6 | Very low | 30.9 | Very low | 160 Ų | 160 | 139.6 Ų | 139.6 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | trans | -62 | 154 | -174.3 | -57.6 | 137.9 | 93.5 | 0 | 0 | 119.3 | ||||
| 282 | A | 31.6 | Very low | 30.9 | Very low | 107 Ų | 107 | 143.7 Ų | 143.7 | 88% | 0.884 | 78% | 0.78 | S | S | * | * | trans | -166.2 | 162.6 | 133.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 283 | K | 31.5 | Very low | 31.4 | Very low | 183 Ų | 183 | 140.1 Ų | 140.1 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | trans | -151.9 | 141.7 | -171.6 | 179.2 | -167.3 | 174.9 | -165 | 0 | 112.6 | ||||
| 284 | Q | 28.3 | Very low | 31.4 | Very low | 178 Ų | 178 | 146.3 Ų | 146.3 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | 141.5 | 163.1 | 158.6 | -84.9 | 177 | -45.5 | 0 | 0 | 111.1 | ||||
| 285 | E | 27.7 | Very low | 31.3 | Very low | 142 Ų | 142 | 145.5 Ų | 145.5 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | cis | -159.6 | 167.5 | -49.4 | -147 | 174.9 | 96.7 | 0 | 0 | 110.3 | ||||
| 286 | T | 28.6 | Very low | 31.2 | Very low | 104 Ų | 104 | 150 Ų | 150 | 64% | 0.638 | 78% | 0.783 | S | S | * | * | trans | 35.8 | 99.1 | 154.7 | 26.4 | 0 | 0 | 0 | 0 | 123 | ||||
| 287 | Q | 28.3 | Very low | 30.8 | Very low | 189 Ų | 189 | 155 Ų | 155 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | 53.4 | 139.1 | 111.2 | -157.7 | 179 | 35.8 | 0 | 0 | 123.1 | |||||
| 288 | A | 28.6 | Very low | 30.5 | Very low | 94 Ų | 94 | 151.9 Ų | 151.9 | 78% | 0.777 | 78% | 0.779 | S | S | * | * | trans | 124.9 | 153.9 | 143 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 289 | T | 28.4 | Very low | 30.4 | Very low | 134 Ų | 134 | 157.8 Ų | 157.8 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | -106.9 | -173.8 | -178.4 | 50.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 290 | P | 40.2 | Very low | 30.4 | Very low | 111 Ų | 111 | 152.6 Ų | 152.6 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | cis | -150.7 | 173.2 | 16.7 | 44.9 | -22.9 | 0 | 0 | 0 | 121.1 | ||||
| 291 | L | 28.8 | Very low | 30.2 | Very low | 150 Ų | 150 | 157 Ų | 157 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | 36.8 | 123.9 | 141.3 | -63.7 | 172.9 | 0 | 0 | 0 | 125.8 | ||||
| 292 | R | 34 | Very low | 30.8 | Very low | 231 Ų | 231 | 154 Ų | 154 | 87% | 0.872 | 77% | 0.77 | S | S | * | * | trans | 68.4 | 168.3 | 134.6 | -85.8 | -176 | -178.8 | -167.7 | 0.7 | 118.8 | ||||
| 293 | P | 43.1 | Very low | 30.6 | Very low | 117 Ų | 117 | 153.7 Ų | 153.7 | 76% | 0.76 | 76% | 0.757 | S | S | * | * | cis | -112.2 | -139.8 | 27 | 27 | -1.3 | 0 | 0 | 0 | 114.3 | ||||
| 294 | R | 26.8 | Very low | 30.5 | Very low | 213 Ų | 213 | 154.4 Ų | 154.4 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | cis | -159.5 | 162.9 | 9.9 | -166.9 | 163.2 | -178.8 | 164 | 8.2 | 116.1 | ||||
| 295 | D | 27.6 | Very low | 30.7 | Very low | 109 Ų | 109 | 150.8 Ų | 150.8 | 58% | 0.583 | 75% | 0.751 | S | S | * | * | trans | -14 | 147.6 | 169.4 | -61.2 | -54.1 | 0 | 0 | 0 | 123.9 | ||||
| 296 | Q | 29 | Very low | 31 | Very low | 199 Ų | 199 | 151.2 Ų | 151.2 | 93% | 0.93 | 75% | 0.753 | S | S | * | * | -159.4 | 170 | 108 | -105.7 | -177 | 43.7 | 0 | 0 | 114 | |||||
| 297 | R | 27 | Very low | 31.1 | Very low | 220 Ų | 220 | 157.4 Ų | 157.4 | 83% | 0.83 | 76% | 0.764 | S | S | * | * | trans | -126.1 | 172.2 | -160.5 | -78 | 178.4 | 165.1 | 178.9 | -4.5 | 115 | ||||
| 298 | T | 28.6 | Very low | 31.2 | Very low | 131 Ų | 131 | 151.6 Ų | 151.6 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | trans | 91.2 | 154.7 | 157.6 | 79.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 299 | R | 30.5 | Very low | 32 | Very low | 211 Ų | 211 | 153.2 Ų | 153.2 | 80% | 0.796 | 76% | 0.757 | S | S | * | * | cis | -150.2 | 164 | -1.1 | -141 | -172.6 | 150.7 | 106.7 | 21.2 | 115.2 | ||||
| 300 | D | 28.3 | Very low | 32.2 | Very low | 110 Ų | 110 | 158.4 Ų | 158.4 | 59% | 0.588 | 76% | 0.762 | S | S | * | * | trans | -7.4 | 125.9 | 162.6 | -58.7 | -27.4 | 0 | 0 | 0 | 123.1 | ||||
| 301 | R | 26.8 | Very low | 33.1 | Very low | 204 Ų | 204 | 157.8 Ų | 157.8 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | 41.5 | 165.7 | 100.3 | -110.2 | -168.3 | 147.6 | -132.6 | -2.5 | 120.5 | |||||
| 302 | P | 42.6 | Very low | 33.3 | Very low | 97 Ų | 97 | 158.2 Ų | 158.2 | 63% | 0.63 | 76% | 0.761 | S | S | * | * | cis | -136.4 | -158.7 | -5 | 41.5 | -19.3 | 0 | 0 | 0 | 113 | ||||
| 303 | T | 28.3 | Very low | 33.1 | Very low | 100 Ų | 100 | 150.8 Ų | 150.8 | 61% | 0.613 | 76% | 0.756 | S | S | * | * | cis | -160.2 | 145.4 | -7.3 | -11.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 304 | F | 29.5 | Very low | 32.7 | Very low | 199 Ų | 199 | 152.1 Ų | 152.1 | 87% | 0.873 | 76% | 0.762 | S | S | * | * | trans | -165.6 | 152.7 | 134.6 | -149.2 | -99.2 | 0 | 0 | 0 | 111.9 | ||||
| 305 | T | 32.1 | Very low | 33.8 | Very low | 101 Ų | 101 | 147.3 Ų | 147.3 | 62% | 0.62 | 76% | 0.758 | S | S | * | * | trans | -156.3 | -178.6 | -179.8 | 52.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 306 | Q | 34.6 | Very low | 34.1 | Very low | 152 Ų | 152 | 147.3 Ų | 147.3 | 71% | 0.71 | 77% | 0.767 | S | S | * | * | trans | 108.4 | 124.5 | 173.7 | -55.2 | -77.7 | 39.4 | 0 | 0 | 112.3 | ||||
| 307 | R | 30.5 | Very low | 34.3 | Very low | 234 Ų | 234 | 142.1 Ų | 142.1 | 88% | 0.883 | 75% | 0.753 | S | S | * | * | cis | 76.4 | 131.2 | 36.6 | -164 | -170 | -163.5 | -169.9 | 5.5 | 111.7 | ||||
| 308 | G | 30.9 | Very low | 34.4 | Very low | 66 Ų | 66 | 140.2 Ų | 140.2 | 68% | 0.68 | 75% | 0.753 | S | S | * | * | cis | 174.9 | 159.7 | -5.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 309 | P | 43.9 | Very low | 34.5 | Very low | 128 Ų | 128 | 137.8 Ų | 137.8 | 83% | 0.831 | 74% | 0.742 | S | S | * | * | trans | -108.1 | 148.6 | -164 | 38.3 | -33.7 | 0 | 0 | 0 | 117.2 | ||||
| 310 | R | 32.9 | Very low | 34.6 | Very low | 243 Ų | 243 | 135.6 Ų | 135.6 | 92% | 0.917 | 74% | 0.74 | S | S | * | * | trans | 159.3 | 165.7 | 159.4 | -96.6 | 170.7 | -174 | -159.9 | 1.7 | 110.3 | ||||
| 311 | P | 58.5 | Low | 34.8 | Very low | 99 Ų | 99 | 136.9 Ų | 136.9 | 64% | 0.643 | 75% | 0.752 | S | S | * | * | cis | -137.3 | -155.3 | -25.6 | 33.8 | -10.1 | 0 | 0 | 0 | 113.3 | ||||
| 312 | D | 33.9 | Very low | 34.9 | Very low | 159 Ų | 159 | 131 Ų | 131 | 85% | 0.85 | 76% | 0.756 | S | S | * | * | trans | 85.5 | 136.2 | 156.4 | -54.5 | -30.1 | 0 | 0 | 0 | 122.4 | ||||
| 313 | G | 29.8 | Very low | 34.6 | Very low | 74 Ų | 74 | 136.3 Ų | 136.3 | 76% | 0.763 | 77% | 0.769 | S | S | * | * | trans | 143.9 | 107.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 314 | V | 34 | Very low | 35.3 | Very low | 146 Ų | 146 | 137.4 Ų | 137.4 | 89% | 0.885 | 78% | 0.777 | S | S | * | * | trans | -159.2 | 167.2 | 169.5 | -107.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 315 | P | 51.1 | Low | 35.3 | Very low | 111 Ų | 111 | 136.4 Ų | 136.4 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | cis | -138.5 | -159.6 | 9.8 | 38.2 | -15.3 | 0 | 0 | 0 | 115.6 | ||||
| 316 | S | 32.3 | Very low | 35.4 | Very low | 110 Ų | 110 | 137.3 Ų | 137.3 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | 80.2 | 151.8 | 154.3 | -62.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 317 | S | 34.1 | Very low | 35.2 | Very low | 90 Ų | 90 | 135.9 Ų | 135.9 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | cis | -168.9 | 163.3 | -20.5 | 51.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 318 | E | 28.8 | Very low | 35.3 | Very low | 179 Ų | 179 | 133.1 Ų | 133.1 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | trans | 65.8 | 154.9 | 163.1 | -68 | 179.4 | 96 | 0 | 0 | 120 | ||||
| 319 | S | 31.6 | Very low | 35.5 | Very low | 81 Ų | 81 | 137 Ų | 137 | 57% | 0.566 | 79% | 0.787 | S | S | * | * | cis | -161 | 167.8 | -27.6 | 68.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 320 | Q | 32.1 | Very low | 35.1 | Very low | 165 Ų | 165 | 138.1 Ų | 138.1 | 77% | 0.771 | 79% | 0.786 | S | S | * | * | trans | 80.1 | 130.9 | 148.5 | -81.8 | -178.6 | 88.9 | 0 | 0 | 125.2 | ||||
| 321 | T | 31.7 | Very low | 35.3 | Very low | 137 Ų | 137 | 136.3 Ų | 136.3 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | trans | 77.3 | 137.7 | 146.8 | 61.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 322 | G | 29.9 | Very low | 33.9 | Very low | 81 Ų | 81 | 134.7 Ų | 134.7 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | trans | 142.2 | 86.7 | 162.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 323 | K | 35.6 | Very low | 34 | Very low | 208 Ų | 208 | 130.8 Ų | 130.8 | 90% | 0.904 | 78% | 0.784 | S | S | * | * | trans | -93 | 141.3 | 152.9 | -68.8 | -178.6 | 178.6 | 178.7 | 0 | 107.8 | ||||
| 324 | P | 43.5 | Very low | 34.2 | Very low | 122 Ų | 122 | 138.6 Ų | 138.6 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | -144.9 | 141.3 | 92.4 | 31.8 | -12.2 | 0 | 0 | 0 | 113.8 | |||||
| 325 | H | 28.7 | Very low | 34.4 | Very low | 178 Ų | 178 | 139.1 Ų | 139.1 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | 82.8 | 136.5 | 85.6 | -160.7 | -81.6 | 0 | 0 | 0 | 115.4 | |||||
| 326 | L | 36 | Very low | 33.7 | Very low | 120 Ų | 120 | 140.3 Ų | 140.3 | 63% | 0.628 | 79% | 0.793 | S | S | * | * | trans | -76 | 166.4 | -178.5 | -74.9 | 67 | 0 | 0 | 0 | 112.9 | F328 | L326-F328 HydrophobicContact CD2-CD2 4.1Å; L326-F328 HydrophobicContact CD2-CE2 3.57Å; L326-F328 HydrophobicContact CD2-CZ 4.21Å | ||
| 327 | S | 30 | Very low | 34.1 | Very low | 122 Ų | 122 | 144.2 Ų | 144.2 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | trans | -127.2 | 98.6 | 154.9 | 48.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 328 | F | 31.7 | Very low | 34.2 | Very low | 177 Ų | 177 | 146 Ų | 146 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | trans | -71.6 | 146.5 | 164.3 | -81.5 | -87.3 | 0 | 0 | 0 | 110.2 | L326 | L326-F328 HydrophobicContact CD2-CD2 4.1Å; L326-F328 HydrophobicContact CD2-CE2 3.57Å; L326-F328 HydrophobicContact CD2-CZ 4.21Å | ||
| 329 | V | 34.5 | Very low | 34.3 | Very low | 148 Ų | 148 | 140.8 Ų | 140.8 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | trans | -123.3 | 122.4 | 152.4 | 174.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 330 | N | 36.3 | Very low | 35.1 | Very low | 150 Ų | 150 | 144.8 Ų | 144.8 | 80% | 0.802 | 82% | 0.821 | S | S | * | * | trans | -121 | 137.3 | -173.3 | -170.6 | 14.6 | 0 | 0 | 0 | 110.7 | ||||
| 331 | K | 36.9 | Very low | 35.6 | Very low | 206 Ų | 206 | 145.8 Ų | 145.8 | 90% | 0.896 | 83% | 0.828 | S | S | * | * | trans | -166 | 115.8 | 176.4 | -165.8 | 178.5 | -173.9 | 179.4 | 0 | 109.9 | ||||
| 332 | G | 30.3 | Very low | 36 | Very low | 64 Ų | 64 | 146.8 Ų | 146.8 | 66% | 0.66 | 83% | 0.828 | S | S | * | * | cis | -164.9 | 156.8 | -7.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 333 | G | 34.9 | Very low | 36.3 | Very low | 78 Ų | 78 | 146 Ų | 146 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -77 | 169.1 | -168.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 334 | R | 33.9 | Very low | 36.8 | Very low | 237 Ų | 237 | 146.8 Ų | 146.8 | 89% | 0.894 | 82% | 0.818 | S | S | * | * | trans | -158 | 112.1 | 154.5 | -156.6 | -175.4 | -57.6 | 176.5 | 3.8 | 109.8 | ||||
| 335 | D | 38.2 | Very low | 36.7 | Very low | 157 Ų | 157 | 151.8 Ų | 151.8 | 84% | 0.84 | 82% | 0.821 | S | S | * | * | trans | -81.3 | 141.8 | -177.6 | -49.6 | -94.3 | 0 | 0 | 0 | 111.8 | ||||
| 336 | V | 37.7 | Very low | 37.9 | Very low | 137 Ų | 137 | 150.5 Ų | 150.5 | 83% | 0.83 | 82% | 0.818 | S | S | * | * | trans | -146.7 | 119.8 | 164 | 178.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 337 | E | 40.7 | Very low | 38.7 | Very low | 191 Ų | 191 | 149 Ų | 149 | 89% | 0.893 | 81% | 0.814 | S | S | * | * | trans | -77.5 | 143.1 | 168.6 | -68.9 | 175.1 | 74.3 | 0 | 0 | 111.2 | ||||
| 338 | S | 34.9 | Very low | 40.2 | Very low | 128 Ų | 128 | 153.9 Ų | 153.9 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | trans | 159.4 | 139.3 | 133.4 | -176 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 339 | G | 31.6 | Very low | 42.2 | Very low | 70 Ų | 70 | 148.5 Ų | 148.5 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | 108.5 | 98.1 | 158.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | M341 | G339-M341 PolarHBondContact O-N 2.84Š| ||
| 340 | D | 47.5 | Very low | 44.3 | Very low | 165 Ų | 165 | 144.4 Ų | 144.4 | 88% | 0.882 | 77% | 0.765 | S | S | * | * | trans | -60.8 | 120 | 155.6 | -90.9 | -87.1 | 0 | 0 | 0 | 110.7 | ||||
| 341 | M | 42.4 | Very low | 46.2 | Very low | 185 Ų | 185 | 139.9 Ų | 139.9 | 91% | 0.911 | 74% | 0.741 | S | S | * | * | trans | -152.5 | 122.3 | 147.9 | -83.8 | -147.8 | 157 | 0 | 0 | 111.1 | G339 G343 | G339-M341 PolarHBondContact O-N 2.84Å; M341-G343 PolarHBondContact O-N 3.32Å | ||
| 342 | D | 41.5 | Very low | 48.3 | Very low | 158 Ų | 158 | 132.4 Ų | 132.4 | 85% | 0.845 | 71% | 0.714 | S | S | * | * | trans | -1.9 | 69.5 | 175.9 | -141.8 | -56.7 | 0 | 0 | 0 | 118.4 | R344 | D342-R344 VanDerWaalsContact C-N 3.26Å; D342-R344 PolarHBondContact O-N 2.56Å | ||
| 343 | G | 35.9 | Very low | 50.9 | Low | 66 Ų | 66 | 130.9 Ų | 130.9 | 68% | 0.68 | 69% | 0.69 | S | S | * | * | trans | -81.8 | 60.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | M341 R345 | M341-G343 PolarHBondContact O-N 3.32Å; G343-R345 VanDerWaalsContact C-N 3.33Å; G343-R345 PolarHBondContact O-N 2.84Å | ||
| 344 | R | 45.1 | Very low | 53.4 | Low | 224 Ų | 224 | 128.3 Ų | 128.3 | 85% | 0.845 | 66% | 0.657 | S | S | * | * | trans | -58.3 | 97.8 | 170.7 | -174.9 | 172.5 | -179.9 | 169.8 | -1.5 | 108.8 | D342 I346 | D342-R344 VanDerWaalsContact C-N 3.26Å; D342-R344 PolarHBondContact O-N 2.56Å; R344-I346 PolarHBondContact O-N 2.94Å | ||
| 345 | R | 42.8 | Very low | 56 | Low | 227 Ų | 227 | 117 Ų | 117 | 86% | 0.857 | 61% | 0.614 | S | S | * | * | trans | -55.7 | 112.7 | -172.5 | -56.3 | 177.4 | -161.5 | 144.5 | 6.2 | 108.6 | G343 V347 | G343-R345 VanDerWaalsContact C-N 3.33Å; G343-R345 PolarHBondContact O-N 2.84Å; R345-V347 PolarHBondContact O-N 2.88Å | ||
| 346 | I | 51.9 | Low | 58.4 | Low | 150 Ų | 150 | 111.8 Ų | 111.8 | 77% | 0.769 | 58% | 0.584 | S | S | * | * | trans | -64.9 | 100.2 | 176.1 | -59.2 | 172.9 | 0 | 0 | 0 | 106.8 | R344 R348 | R344-I346 PolarHBondContact O-N 2.94Å; I346-R348 HydrophobicContact CG2-CG 4.34Å; I346-R348 PolarHBondContact O-N 2.73Å | ||
| 347 | V | 53.7 | Low | 60.8 | Low | 88 Ų | 88 | 105.3 Ų | 105.3 | 53% | 0.533 | 55% | 0.545 | S | S | . | . | trans | -65.8 | 103.7 | 173.7 | -178.4 | 0 | 0 | 0 | 0 | 106.1 | R345 Y349 | R345-V347 PolarHBondContact O-N 2.88Å; V347-Y349 HydrophobicContact CB-CD2 4.31Å; V347-Y349 HydrophobicContact CB-CE2 3.68Å; V347-Y349 HydrophobicContact CG1-CD1 4.39Å; V347-Y349 HydrophobicContact CG1-CD2 4.1Å; V347-Y349 HydrophobicContact CG1-CE1 3.89Å; V347-Y349 HydrophobicContact CG1-CE2 3.59Å; V347-Y349 HydrophobicContact CG1-CG 4.46Å; V347-Y349 VanDerWaalsContact CG1-CZ 3.44Å; V347-Y349 WeakPolarHBondContact O-CD2 3.45Å; V347-Y349 WeakPolarHBondContact O-CE2 3.38Å; V347-Y349 PolarHBondContact O-N 2.83Å | ||
| 348 | R | 62.1 | Low | 62.8 | Low | 226 Ų | 226 | 96.5 Ų | 96.5 | 85% | 0.853 | 51% | 0.505 | S | S | * | . | trans | -78.8 | 80.4 | 177.7 | -77.1 | -165.8 | 172.4 | -139.2 | 2.6 | 109.5 | I346 | I346-R348 HydrophobicContact CG2-CG 4.34Å; I346-R348 PolarHBondContact O-N 2.73Å | ||
| 349 | Y | 73.4 | Confident | 65.1 | Low | 64 Ų | 64 | 94 Ų | 94 | 25% | 0.251 | 48% | 0.482 | S | S | . | . | trans | -50.6 | 136.4 | 158.1 | -57.4 | -80.8 | 0 | 0 | 0 | 108.6 | V347 Q354 V380 V400 | V347-Y349 HydrophobicContact CB-CD2 4.31Å; V347-Y349 HydrophobicContact CB-CE2 3.68Å; V347-Y349 HydrophobicContact CG1-CD1 4.39Å; V347-Y349 HydrophobicContact CG1-CD2 4.1Å; V347-Y349 HydrophobicContact CG1-CE1 3.89Å; V347-Y349 HydrophobicContact CG1-CE2 3.59Å; V347-Y349 HydrophobicContact CG1-CG 4.46Å; V347-Y349 VanDerWaalsContact CG1-CZ 3.44Å; V347-Y349 WeakPolarHBondContact O-CD2 3.45Å; V347-Y349 WeakPolarHBondContact O-CE2 3.38Å; V347-Y349 PolarHBondContact O-N 2.83Å; Y349-Q354 PolarHBondContact O-NE2 2.96Å; Y349-V380 HydrophobicContact CE1-CG1 4.08Å; Y349-V380 HydrophobicContact CE2-CG1 4.28Å; Y349-V380 VanDerWaalsContact OH-CG1 3.25Å; Y349-V380 WeakPolarHBondContact OH-CG1 3.36Å; Y349-V400 HydrophobicContact CD1-CG1 4.14Å; Y349-V400 HydrophobicContact CD2-CG1 3.54Å; Y349-V400 HydrophobicContact CE2-CG1 4.27Å; Y349-V400 HydrophobicContact CG-CG1 3.47Å; Y349-V400 VanDerWaalsContact CG-CG1 3.47Å | ||
| 350 | P | 78.3 | Confident | 67.5 | Low | 62 Ų | 62 | 90.8 Ų | 90.8 | 40% | 0.403 | 45% | 0.448 | S | S | . | . | trans | -61.9 | 148.5 | 178.2 | 29.2 | -35.8 | 0 | 0 | 0 | 109.7 | S352 H353 | P350-S352 PolarHBondContact O-N 2.66Å; P350-S352 VanDerWaalsContact O-N 3.08Å; P350-H353 HydrophobicContact CG-CB 4.32Å; P350-H353 VanDerWaalsContact CG-CD2 3.46Å; P350-H353 WeakPolarHBondContact CG-CD2 3.49Å; P350-H353 PolarHBondContact O-N 3.1Å | ||
| 351 | D | 76.3 | Confident | 68.9 | Low | 55 Ų | 55 | 84.4 Ų | 84.4 | 29% | 0.294 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -63 | -19.6 | -175.1 | -64.1 | -75.3 | 0 | 0 | 0 | 113.1 | H353 Q354 K432 T434 | D351-H353 VanDerWaalsContact C-N 3.26Å; D351-H353 PolarHBondContact O-N 3.29Å; D351-Q354 WeakPolarHBondContact O-CB 3.49Å; D351-Q354 PolarHBondContact O-N 2.97Å; D351-Q354 VanDerWaalsContact O-N 3.08Å; D351-K432 WeakPolarHBondContact OD1-CE 3.41Å; D351-K432 IonicContact OD1-NZ 2.7Å; D351-K432 PolarHBondContact OD1-NZ 2.97Å; D351-T434 HydrophobicContact CB-CG2 4.19Å; D351-T434 WeakPolarHBondContact OD2-CG2 3.32Å |
| 352 | S | 80.3 | Confident | 70.3 | Confident | 48 Ų | 48 | 80.5 Ų | 80.5 | 34% | 0.336 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -71 | -12.9 | 172.3 | 53.2 | 0 | 0 | 0 | 0 | 114.9 | P350 | P350-S352 PolarHBondContact O-N 2.66Å; P350-S352 VanDerWaalsContact O-N 3.08Å |
| 353 | H | 85.3 | Confident | 71.8 | Confident | 33 Ų | 33 | 79.4 Ų | 79.4 | 15% | 0.153 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -98.7 | 6.2 | 170.8 | -61.9 | -157 | 0 | 0 | 0 | 110.6 | P350 D351 F401 D402 | P350-H353 HydrophobicContact CG-CB 4.32Å; P350-H353 VanDerWaalsContact CG-CD2 3.46Å; P350-H353 WeakPolarHBondContact CG-CD2 3.49Å; P350-H353 PolarHBondContact O-N 3.1Å; D351-H353 VanDerWaalsContact C-N 3.26Å; D351-H353 PolarHBondContact O-N 3.29Å; H353-F401 PolarHBondContact O-N 3.18Å; H353-D402 PolarHBondContact CE1-O 3.12Å; H353-D402 PolarHBondContact ND1-O 2.84Å |
| 354 | Q | 87.5 | Confident | 73.8 | Confident | 23 Ų | 23 | 77.1 Ų | 77.1 | 11% | 0.107 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 121.1 | -175 | -56.6 | -169.3 | 38.7 | 0 | 0 | 110.9 | Y349 D351 V399 V400 K432 | Y349-Q354 PolarHBondContact O-NE2 2.96Å; D351-Q354 WeakPolarHBondContact O-CB 3.49Å; D351-Q354 PolarHBondContact O-N 2.97Å; D351-Q354 VanDerWaalsContact O-N 3.08Å; Q354-V399 WeakPolarHBondContact CA-O 3.5Å; Q354-V400 HydrophobicContact CG-CB 4.49Å; Q354-V400 HydrophobicContact CG-CG1 4.1Å; Q354-V400 HydrophobicContact CG-CG2 4.01Å; Q354-K432 HydrophobicContact CB-CB 3.87Å; Q354-K432 HydrophobicContact CB-CD 3.5Å; Q354-K432 HydrophobicContact CB-CG 4.35Å; Q354-K432 HydrophobicContact CG-CD 4.23Å; Q354-K432 WeakPolarHBondContact O-CB 3.44Å; Q354-K432 PolarHBondContact O-N 3.15Å |
| 355 | L | 88.1 | Confident | 75.5 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 128.5 | 179.5 | -158.5 | 73.1 | 0 | 0 | 0 | 108.9 | V357 F373 F398 V399 F401 V407 I410 V429 | L355-V357 HydrophobicContact CD2-CG2 3.92Å; L355-V357 HydrophobicContact CG-CG2 4.18Å; L355-F373 HydrophobicContact CD2-CD1 4.04Å; L355-F373 HydrophobicContact CD2-CE1 3.61Å; L355-F373 HydrophobicContact CD2-CZ 4.05Å; L355-F398 CarbonylContact O-C 3.59Å; L355-F398 VanDerWaalsContact O-CA 3.28Å; L355-F398 WeakPolarHBondContact O-CA 3.42Å; L355-V399 HydrophobicContact CB-CB 4.16Å; L355-V399 PolarHBondContact N-O 3.44Å; L355-V399 PolarHBondContact O-N 3.05Å; L355-F401 HydrophobicContact CB-CE2 4.07Å; L355-F401 HydrophobicContact CD2-CE2 4.06Å; L355-F401 HydrophobicContact CD2-CZ 4.5Å; L355-V407 HydrophobicContact CD1-CB 4.35Å; L355-V407 HydrophobicContact CD1-CG1 3.88Å; L355-V407 HydrophobicContact CD1-CG2 4.33Å; L355-I410 HydrophobicContact CD2-CD1 3.77Å; L355-I410 HydrophobicContact CD2-CG2 4.37Å; L355-V429 HydrophobicContact CD1-CG1 3.39Å; L355-V429 HydrophobicContact CD2-CG1 3.68Å; L355-V429 HydrophobicContact CG-CG1 3.54Å |
| 356 | F | 89.1 | Confident | 77.5 | Confident | 48 Ų | 48 | 65.2 Ų | 65.2 | 21% | 0.211 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 132.5 | 162.8 | 171.9 | -99.4 | 0 | 0 | 0 | 108.8 | F396 F398 V429 E430 | F356-F396 HydrophobicContact CE2-CB 3.74Å; F356-F396 AromaticContact CE2-CD2 3.73Å; F356-F396 HydrophobicContact CE2-CD2 3.73Å; F356-F396 AromaticContact CE2-CG 3.94Å; F356-F396 HydrophobicContact CE2-CG 3.94Å; F356-F396 HydrophobicContact CZ-CB 3.89Å; F356-F396 HydrophobicContact CZ-CG 4.39Å; F356-F398 HydrophobicContact CB-CD1 4.35Å; F356-F398 HydrophobicContact CB-CE1 4.21Å; F356-F398 HydrophobicContact CD2-CD1 4.24Å; F356-F398 AromaticContact CD2-CE1 3.64Å; F356-F398 HydrophobicContact CD2-CE1 3.64Å; F356-F398 AromaticContact CD2-CZ 3.98Å; F356-F398 HydrophobicContact CD2-CZ 3.98Å; F356-F398 HydrophobicContact CG-CE1 4.4Å; F356-V429 CarbonylContact O-C 3.6Å; F356-V429 WeakPolarHBondContact O-CA 3.29Å; F356-E430 HydrophobicContact CB-CB 4.43Å; F356-E430 HydrophobicContact CD1-CB 4.17Å; F356-E430 PolarHBondContact N-O 3.49Å; F356-E430 PolarHBondContact O-N 3.42Å |
| 357 | V | 87.4 | Confident | 79 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 100.5 | 177.8 | -171.5 | 0 | 0 | 0 | 0 | 107.8 | L355 L360 F373 F396 G397 V399 L427 V429 | L355-V357 HydrophobicContact CD2-CG2 3.92Å; L355-V357 HydrophobicContact CG-CG2 4.18Å; V357-L360 HydrophobicContact CG1-CD2 3.65Å; V357-L360 HydrophobicContact CG1-CG 4.2Å; V357-F373 HydrophobicContact CB-CZ 4.5Å; V357-F373 HydrophobicContact CG1-CE2 4.21Å; V357-F373 HydrophobicContact CG1-CZ 4.04Å; V357-F373 HydrophobicContact CG2-CE2 3.79Å; V357-F373 HydrophobicContact CG2-CZ 3.62Å; V357-F396 CarbonylContact O-C 3.59Å; V357-F396 VanDerWaalsContact O-CA 3.26Å; V357-F396 WeakPolarHBondContact O-CA 3.4Å; V357-G397 PolarHBondContact N-O 2.95Å; V357-G397 PolarHBondContact O-N 3.09Å; V357-V399 HydrophobicContact CG2-CG2 3.79Å; V357-L427 HydrophobicContact CG1-CB 4.27Å; V357-L427 HydrophobicContact CG1-CD1 3.95Å; V357-L427 HydrophobicContact CG1-CD2 4.3Å; V357-L427 HydrophobicContact CG1-CG 4.42Å; V357-V429 HydrophobicContact CG1-CG2 4.43Å |
| 358 | G | 84.3 | Confident | 80.5 | Confident | 6 Ų | 6 | 60.8 Ų | 60.8 | 6% | 0.062 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 165.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | N428 | G358-N428 PolarHBondContact N-O 3.26Å; G358-N428 PolarHBondContact O-N 3.23Å |
| 359 | N | 82.8 | Confident | 81.6 | Confident | 76 Ų | 76 | 50 Ų | 50 | 41% | 0.406 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 62.9 | 41.2 | -177.6 | -149.8 | 64.8 | 0 | 0 | 0 | 113 | N395 V425 R426 | N359-N395 PolarHBondContact N-O 3.28Å; N359-V425 WeakPolarHBondContact O-CG1 3.41Å; N359-R426 PolarHBondContact ND2-O 2.84Å |
| 360 | L | 82.7 | Confident | 82.2 | Confident | 3 Ų | 3 | 50.7 Ų | 50.7 | 2% | 0.016 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 143.9 | 164.4 | -62.9 | 173.5 | 0 | 0 | 0 | 108.9 | V357 I364 L369 I384 N395 L427 | V357-L360 HydrophobicContact CG1-CD2 3.65Å; V357-L360 HydrophobicContact CG1-CG 4.2Å; L360-I364 HydrophobicContact CB-CG1 4.4Å; L360-I364 HydrophobicContact CB-CG2 4.21Å; L360-I364 HydrophobicContact CD2-CG1 4.33Å; L360-L369 HydrophobicContact CD1-CD2 3.81Å; L360-L369 HydrophobicContact CD2-CD1 3.64Å; L360-L369 HydrophobicContact CD2-CD2 3.59Å; L360-L369 HydrophobicContact CD2-CG 4.28Å; L360-L369 HydrophobicContact CG-CD2 4.38Å; L360-I384 HydrophobicContact CD1-CG1 4.5Å; L360-I384 HydrophobicContact CD1-CG2 4.22Å; L360-N395 HydrophobicContact CB-CB 3.76Å; L360-N395 PolarHBondContact N-O 3.22Å; L360-N395 PolarHBondContact O-N 3.07Å; L360-L427 HydrophobicContact CD2-CD2 3.86Å |
| 361 | P | 76.8 | Confident | 82.7 | Confident | 30 Ų | 30 | 54.6 Ų | 54.6 | 20% | 0.195 | 29% | 0.287 | C | S | . | . | trans | -66.6 | 172.4 | 175.1 | 26.3 | -28.9 | 0 | 0 | 0 | 111.4 | I364 N395 V425 | P361-I364 HydrophobicContact CG-CB 4.03Å; P361-I364 HydrophobicContact CG-CD1 4.16Å; P361-I364 WeakPolarHBondContact O-CG2 3.18Å; P361-N395 PolarHBondContact O-ND2 3.13Å; P361-V425 HydrophobicContact CB-CG2 4.4Å; P361-V425 HydrophobicContact CG-CG2 4.37Å | ||
| 362 | H | 70.6 | Confident | 83.1 | Confident | 103 Ų | 103 | 54.3 Ų | 54.3 | 48% | 0.477 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -41.1 | -180 | -74.9 | -78.5 | 0 | 0 | 0 | 111.8 | I364 G391 N395 | H362-I364 PolarHBondContact O-N 3.17Å; H362-I364 VanDerWaalsContact O-N 3.12Å; H362-G391 PolarHBondContact CE1-O 2.96Å; H362-N395 WeakPolarHBondContact CA-ND2 3.45Å; H362-N395 PolarHBondContact O-ND2 3.21Å |
| 363 | D | 73.8 | Confident | 83.4 | Confident | 135 Ų | 135 | 52 Ų | 52 | 72% | 0.722 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | 42.7 | -178.9 | -39.5 | -75.2 | 0 | 0 | 0 | 112.2 | ||
| 364 | I | 78 | Confident | 83.5 | Confident | 19 Ų | 19 | 55.2 Ų | 55.2 | 10% | 0.097 | 28% | 0.284 | C | S | . | . | trans | -88.4 | 111.5 | -173.6 | -174.3 | 59 | 0 | 0 | 0 | 112.5 | L360 P361 H362 L369 I384 F421 | L360-I364 HydrophobicContact CB-CG1 4.4Å; L360-I364 HydrophobicContact CB-CG2 4.21Å; L360-I364 HydrophobicContact CD2-CG1 4.33Å; P361-I364 HydrophobicContact CG-CB 4.03Å; P361-I364 HydrophobicContact CG-CD1 4.16Å; P361-I364 WeakPolarHBondContact O-CG2 3.18Å; H362-I364 PolarHBondContact O-N 3.17Å; H362-I364 VanDerWaalsContact O-N 3.12Å; I364-L369 HydrophobicContact CD1-CB 4.14Å; I364-L369 HydrophobicContact CD1-CD1 4.27Å; I364-L369 HydrophobicContact CG1-CB 4.38Å; I364-L369 HydrophobicContact CG1-CD2 4.15Å; I364-I384 HydrophobicContact CG1-CD1 4.02Å; I364-I384 HydrophobicContact CG2-CD1 3.93Å; I364-I384 HydrophobicContact CG2-CG2 4.18Å; I364-F421 HydrophobicContact CD1-CD1 4.23Å; I364-F421 HydrophobicContact CD1-CE1 3.42Å; I364-F421 VanDerWaalsContact CD1-CE1 3.42Å; I364-F421 HydrophobicContact CD1-CZ 3.61Å | ||
| 365 | D | 80.8 | Confident | 83.4 | Confident | 95 Ų | 95 | 59.2 Ų | 59.2 | 51% | 0.508 | 31% | 0.31 | S | S | . | . | trans | -76.2 | 131.5 | 172.4 | -85.8 | -54.3 | 0 | 0 | 0 | 112.6 | A367 E368 L369 | D365-A367 PolarHBondContact O-N 3.25Å; D365-E368 HydrophobicContact CB-CB 4.49Å; D365-E368 HydrophobicContact CB-CG 4.4Å; D365-E368 PolarHBondContact O-N 3.26Å; D365-L369 WeakPolarHBondContact O-CB 3.29Å; D365-L369 PolarHBondContact O-N 3.18Å; D365-L369 VanDerWaalsContact O-N 3.1Å | ||
| 366 | E | 84.3 | Confident | 83.2 | Confident | 105 Ų | 105 | 62.1 Ų | 62.1 | 49% | 0.491 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.9 | -33.6 | 174.2 | 173.8 | 170.5 | 158.6 | 0 | 0 | 111.7 | K370 L382 I384 | E366-K370 WeakPolarHBondContact O-CB 3.36Å; E366-K370 PolarHBondContact O-N 3.3Å; E366-L382 HydrophobicContact CG-CB 4.34Å; E366-L382 HydrophobicContact CG-CD2 3.94Å; E366-I384 HydrophobicContact CB-CD1 4.32Å |
| 367 | A | 84.1 | Confident | 83.1 | Confident | 73 Ų | 73 | 60.6 Ų | 60.6 | 60% | 0.603 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -65.7 | -51.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D365 K370 E371 | D365-A367 PolarHBondContact O-N 3.25Å; A367-K370 WeakPolarHBondContact O-CB 3.39Å; A367-K370 PolarHBondContact O-N 3.1Å; A367-E371 PolarHBondContact O-N 2.87Å |
| 368 | E | 84.9 | Confident | 83.1 | Confident | 72 Ų | 72 | 64.6 Ų | 64.6 | 34% | 0.336 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65 | -43.3 | 177.8 | -70.5 | -173.3 | -158.8 | 0 | 0 | 112.1 | D365 K370 E371 F372 F421 R422 | D365-E368 HydrophobicContact CB-CB 4.49Å; D365-E368 HydrophobicContact CB-CG 4.4Å; D365-E368 PolarHBondContact O-N 3.26Å; E368-K370 PolarHBondContact O-N 2.81Å; E368-E371 PolarHBondContact O-N 2.92Å; E368-F372 WeakPolarHBondContact O-CB 3.48Å; E368-F372 PolarHBondContact O-N 2.99Å; E368-F421 HydrophobicContact CB-CZ 4.02Å; E368-R422 IonicContact OE1-CZ 3.23Å; E368-R422 IonicContact OE1-NE 2.78Å; E368-R422 IonicContact OE1-NH2 2.88Å; E368-R422 PolarHBondContact OE1-NH2 3.21Å; E368-R422 IonicContact OE2-CZ 3.59Å; E368-R422 VanDerWaalsContact OE2-CZ 3.23Å; E368-R422 IonicContact OE2-NE 2.78Å; E368-R422 PolarHBondContact OE2-NE 2.72Å; E368-R422 IonicContact OE2-NH2 3.73Å; E368-R422 PolarHBondContact OE2-NH2 2.91Å |
| 369 | L | 85.1 | Confident | 83.4 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.4 | -36.4 | 178.7 | -168.3 | 63.9 | 0 | 0 | 0 | 110.7 | L360 I364 D365 F373 L382 I384 F421 L427 | L360-L369 HydrophobicContact CD1-CD2 3.81Å; L360-L369 HydrophobicContact CD2-CD1 3.64Å; L360-L369 HydrophobicContact CD2-CD2 3.59Å; L360-L369 HydrophobicContact CD2-CG 4.28Å; L360-L369 HydrophobicContact CG-CD2 4.38Å; I364-L369 HydrophobicContact CD1-CB 4.14Å; I364-L369 HydrophobicContact CD1-CD1 4.27Å; I364-L369 HydrophobicContact CG1-CB 4.38Å; I364-L369 HydrophobicContact CG1-CD2 4.15Å; D365-L369 WeakPolarHBondContact O-CB 3.29Å; D365-L369 PolarHBondContact O-N 3.18Å; D365-L369 VanDerWaalsContact O-N 3.1Å; L369-F373 HydrophobicContact CD1-CD2 4.13Å; L369-F373 HydrophobicContact CD1-CE2 3.64Å; L369-F373 HydrophobicContact CG-CD2 4.11Å; L369-F373 HydrophobicContact CG-CE2 3.99Å; L369-F373 WeakPolarHBondContact O-CD2 3.38Å; L369-F373 PolarHBondContact O-N 3Å; L369-L382 HydrophobicContact CB-CD1 4.18Å; L369-L382 HydrophobicContact CD2-CD1 4.2Å; L369-L382 HydrophobicContact CD2-CD2 4.04Å; L369-L382 HydrophobicContact CG-CD1 4.05Å; L369-I384 HydrophobicContact CD2-CD1 3.98Å; L369-I384 HydrophobicContact CD2-CG1 4.25Å; L369-F421 HydrophobicContact CD1-CD2 4.13Å; L369-F421 HydrophobicContact CD1-CE2 3.97Å; L369-F421 HydrophobicContact CD1-CZ 4.48Å; L369-L427 HydrophobicContact CD1-CD1 4.45Å |
| 370 | K | 86.7 | Confident | 83.6 | Confident | 78 Ų | 78 | 63.6 Ų | 63.6 | 34% | 0.339 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.1 | -47 | 172.8 | -175.4 | 176.3 | -178 | 174.8 | 0 | 111.8 | E366 A367 E368 F372 F373 M374 V379 L382 | E366-K370 WeakPolarHBondContact O-CB 3.36Å; E366-K370 PolarHBondContact O-N 3.3Å; A367-K370 WeakPolarHBondContact O-CB 3.39Å; A367-K370 PolarHBondContact O-N 3.1Å; E368-K370 PolarHBondContact O-N 2.81Å; K370-F372 PolarHBondContact O-N 3.23Å; K370-F373 PolarHBondContact O-N 2.89Å; K370-M374 HydrophobicContact CD-SD 4.28Å; K370-M374 HydrophobicContact CG-CG 4.26Å; K370-M374 HydrophobicContact CG-SD 3.9Å; K370-M374 WeakPolarHBondContact O-CB 3.44Å; K370-M374 VanDerWaalsContact O-CG 3.29Å; K370-M374 WeakPolarHBondContact O-CG 3.14Å; K370-M374 PolarHBondContact O-N 3.39Å; K370-V379 HydrophobicContact CD-CG1 4.44Å; K370-V379 VanDerWaalsContact CE-O 3.22Å; K370-V379 WeakPolarHBondContact CE-O 3.27Å; K370-V379 HydrophobicContact CG-CB 3.96Å; K370-V379 HydrophobicContact CG-CG1 3.97Å; K370-V379 PolarHBondContact NZ-O 2.78Å; K370-L382 HydrophobicContact CB-CD1 3.97Å |
| 371 | E | 87.4 | Confident | 83.7 | Confident | 144 Ų | 144 | 67.9 Ų | 67.9 | 67% | 0.673 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -61.1 | -44.1 | 179.6 | -176 | 164.8 | -160.9 | 0 | 0 | 111.8 | A367 E368 F373 M374 T375 | A367-E371 PolarHBondContact O-N 2.87Å; E368-E371 PolarHBondContact O-N 2.92Å; E371-F373 PolarHBondContact O-N 2.63Å; E371-M374 WeakPolarHBondContact O-CB 3.4Å; E371-M374 PolarHBondContact O-N 3.22Å; E371-M374 VanDerWaalsContact O-N 3.14Å; E371-T375 PolarHBondContact O-N 2.89Å |
| 372 | F | 85.6 | Confident | 84.1 | Confident | 48 Ų | 48 | 67.2 Ų | 67.2 | 21% | 0.211 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -55.8 | -49.3 | 173.4 | 179.7 | -95.8 | 0 | 0 | 0 | 111.9 | E368 K370 M374 T375 Y376 I419 F421 L427 | E368-F372 WeakPolarHBondContact O-CB 3.48Å; E368-F372 PolarHBondContact O-N 2.99Å; K370-F372 PolarHBondContact O-N 3.23Å; F372-M374 VanDerWaalsContact C-N 3.33Å; F372-M374 PolarHBondContact O-N 3.11Å; F372-T375 WeakPolarHBondContact O-CB 3.31Å; F372-T375 PolarHBondContact O-N 3.41Å; F372-T375 PolarHBondContact O-OG1 3.36Å; F372-Y376 HydrophobicContact CE1-CE2 4.11Å; F372-Y376 HydrophobicContact CZ-CE2 4.29Å; F372-I419 HydrophobicContact CE1-CG2 3.97Å; F372-I419 HydrophobicContact CZ-CG2 3.86Å; F372-F421 HydrophobicContact CB-CD2 4.06Å; F372-F421 HydrophobicContact CB-CE2 3.84Å; F372-F421 HydrophobicContact CD1-CD2 4.12Å; F372-F421 HydrophobicContact CD2-CD2 4.06Å; F372-F421 AromaticContact CG-CD2 3.81Å; F372-F421 HydrophobicContact CG-CD2 3.81Å; F372-F421 HydrophobicContact CG-CE2 4.13Å; F372-L427 HydrophobicContact CE1-CD1 4.21Å |
| 373 | F | 87.1 | Confident | 84.8 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -72.2 | -24.5 | 178 | -76.5 | -58.7 | 0 | 0 | 0 | 113.9 | L355 V357 L369 K370 E371 T375 Y376 G377 V379 V399 F401 I410 L427 V429 | L355-F373 HydrophobicContact CD2-CD1 4.04Å; L355-F373 HydrophobicContact CD2-CE1 3.61Å; L355-F373 HydrophobicContact CD2-CZ 4.05Å; V357-F373 HydrophobicContact CB-CZ 4.5Å; V357-F373 HydrophobicContact CG1-CE2 4.21Å; V357-F373 HydrophobicContact CG1-CZ 4.04Å; V357-F373 HydrophobicContact CG2-CE2 3.79Å; V357-F373 HydrophobicContact CG2-CZ 3.62Å; L369-F373 HydrophobicContact CD1-CD2 4.13Å; L369-F373 HydrophobicContact CD1-CE2 3.64Å; L369-F373 HydrophobicContact CG-CD2 4.11Å; L369-F373 HydrophobicContact CG-CE2 3.99Å; L369-F373 WeakPolarHBondContact O-CD2 3.38Å; L369-F373 PolarHBondContact O-N 3Å; K370-F373 PolarHBondContact O-N 2.89Å; E371-F373 PolarHBondContact O-N 2.63Å; F373-T375 PolarHBondContact O-N 2.9Å; F373-Y376 HydrophobicContact CD1-CD2 4.38Å; F373-Y376 PolarHBondContact O-N 2.82Å; F373-G377 PolarHBondContact O-N 2.91Å; F373-V379 HydrophobicContact CB-CG2 3.73Å; F373-V399 HydrophobicContact CB-CG1 4.18Å; F373-V399 HydrophobicContact CD2-CG1 4.29Å; F373-V399 HydrophobicContact CD2-CG2 3.66Å; F373-V399 HydrophobicContact CE2-CG2 3.82Å; F373-V399 HydrophobicContact CG-CG1 4.28Å; F373-V399 HydrophobicContact CG-CG2 4.35Å; F373-F401 HydrophobicContact CB-CE1 4.33Å; F373-F401 HydrophobicContact CB-CZ 4Å; F373-F401 HydrophobicContact CD1-CZ 4.25Å; F373-F401 HydrophobicContact CG-CZ 4.36Å; F373-I410 HydrophobicContact CD1-CD1 3.79Å; F373-I410 HydrophobicContact CE1-CD1 4.1Å; F373-I410 HydrophobicContact CE1-CG2 4.44Å; F373-L427 HydrophobicContact CE2-CD1 4.42Å; F373-L427 HydrophobicContact CZ-CD1 3.95Å; F373-V429 HydrophobicContact CZ-CG2 4.45Å |
| 374 | M | 86.4 | Confident | 85.3 | Confident | 101 Ų | 101 | 64.2 Ų | 64.2 | 50% | 0.498 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.6 | -20.9 | 173.1 | -81.3 | 177.5 | 57.4 | 0 | 0 | 113.5 | K370 E371 F372 Y376 G377 V379 | K370-M374 HydrophobicContact CD-SD 4.28Å; K370-M374 HydrophobicContact CG-CG 4.26Å; K370-M374 HydrophobicContact CG-SD 3.9Å; K370-M374 WeakPolarHBondContact O-CB 3.44Å; K370-M374 VanDerWaalsContact O-CG 3.29Å; K370-M374 WeakPolarHBondContact O-CG 3.14Å; K370-M374 PolarHBondContact O-N 3.39Å; E371-M374 WeakPolarHBondContact O-CB 3.4Å; E371-M374 PolarHBondContact O-N 3.22Å; E371-M374 VanDerWaalsContact O-N 3.14Å; F372-M374 VanDerWaalsContact C-N 3.33Å; F372-M374 PolarHBondContact O-N 3.11Å; M374-Y376 PolarHBondContact O-N 3.5Å; M374-G377 WeakPolarHBondContact CA-O 3.36Å; M374-V379 HydrophobicContact CG-CB 4.13Å; M374-V379 HydrophobicContact CG-CG2 3.96Å |
| 375 | T | 86.6 | Confident | 85.3 | Confident | 106 Ų | 106 | 65.4 Ų | 65.4 | 65% | 0.65 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -27.3 | 171 | 68.7 | 0 | 0 | 0 | 0 | 113.3 | E371 F372 F373 | E371-T375 PolarHBondContact O-N 2.89Å; F372-T375 WeakPolarHBondContact O-CB 3.31Å; F372-T375 PolarHBondContact O-N 3.41Å; F372-T375 PolarHBondContact O-OG1 3.36Å; F373-T375 PolarHBondContact O-N 2.9Å |
| 376 | Y | 83.1 | Confident | 84.9 | Confident | 62 Ų | 62 | 65.5 Ų | 65.5 | 24% | 0.243 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -26.9 | -179.9 | -62.9 | -84.5 | 0 | 0 | 0 | 113.3 | F372 F373 M374 R409 I410 | F372-Y376 HydrophobicContact CE1-CE2 4.11Å; F372-Y376 HydrophobicContact CZ-CE2 4.29Å; F373-Y376 HydrophobicContact CD1-CD2 4.38Å; F373-Y376 PolarHBondContact O-N 2.82Å; M374-Y376 PolarHBondContact O-N 3.5Å; Y376-R409 PolarHBondContact O-NH1 2.93Å; Y376-I410 HydrophobicContact CD1-CG1 3.55Å; Y376-I410 HydrophobicContact CD2-CD1 4.12Å; Y376-I410 HydrophobicContact CD2-CG1 3.82Å; Y376-I410 HydrophobicContact CE1-CG1 4.09Å; Y376-I410 HydrophobicContact CE2-CG1 4.32Å; Y376-I410 HydrophobicContact CG-CD1 3.9Å; Y376-I410 HydrophobicContact CG-CG1 3.4Å |
| 377 | G | 87 | Confident | 83.5 | Confident | 16 Ų | 16 | 67.3 Ų | 67.3 | 17% | 0.165 | 34% | 0.344 | C | S | . | . | S | Bend | trans | 167.6 | 172.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | F373 M374 V379 F401 | F373-G377 PolarHBondContact O-N 2.91Å; M374-G377 WeakPolarHBondContact CA-O 3.36Å; G377-V379 PolarHBondContact O-N 3.27Å; G377-F401 WeakPolarHBondContact O-CE1 3.29Å |
| 378 | N | 87.9 | Confident | 82 | Confident | 84 Ų | 84 | 65.4 Ų | 65.4 | 45% | 0.449 | 33% | 0.332 | S | S | . | . | trans | -70.5 | 117.6 | -169.8 | 173.3 | 38.5 | 0 | 0 | 0 | 112.9 | F401 D402 | N378-F401 WeakPolarHBondContact O-CA 3.3Å; N378-D402 WeakPolarHBondContact CB-OD2 3.29Å; N378-D402 PolarHBondContact ND2-OD2 3.46Å; N378-D402 PolarHBondContact O-N 3.35Å | ||
| 379 | V | 90.3 | Very high | 80.1 | Confident | 2 Ų | 2 | 69.3 Ų | 69.3 | 1% | 0.012 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 112.7 | -178.5 | 178.7 | 0 | 0 | 0 | 0 | 110.9 | K370 F373 M374 G377 L382 V399 F401 | K370-V379 HydrophobicContact CD-CG1 4.44Å; K370-V379 VanDerWaalsContact CE-O 3.22Å; K370-V379 WeakPolarHBondContact CE-O 3.27Å; K370-V379 HydrophobicContact CG-CB 3.96Å; K370-V379 HydrophobicContact CG-CG1 3.97Å; K370-V379 PolarHBondContact NZ-O 2.78Å; F373-V379 HydrophobicContact CB-CG2 3.73Å; M374-V379 HydrophobicContact CG-CB 4.13Å; M374-V379 HydrophobicContact CG-CG2 3.96Å; G377-V379 PolarHBondContact O-N 3.27Å; V379-L382 HydrophobicContact CG1-CB 4.27Å; V379-V399 HydrophobicContact CB-CG1 4.39Å; V379-V399 HydrophobicContact CG1-CG1 3.64Å; V379-V399 HydrophobicContact CG2-CG1 3.85Å; V379-F401 HydrophobicContact CG2-CD1 4.1Å; V379-F401 HydrophobicContact CG2-CE1 3.64Å; V379-F401 HydrophobicContact CG2-CZ 4.22Å |
| 380 | V | 86.9 | Confident | 78.5 | Confident | 58 Ų | 58 | 72.2 Ų | 72.2 | 35% | 0.352 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | -41.4 | -174.1 | -177.9 | 0 | 0 | 0 | 0 | 112.4 | Y349 V400 D402 | Y349-V380 HydrophobicContact CE1-CG1 4.08Å; Y349-V380 HydrophobicContact CE2-CG1 4.28Å; Y349-V380 VanDerWaalsContact OH-CG1 3.25Å; Y349-V380 WeakPolarHBondContact OH-CG1 3.36Å; V380-V400 PolarHBondContact N-O 3.13Å; V380-D402 HydrophobicContact CG2-CB 3.77Å |
| 381 | E | 84 | Confident | 77.1 | Confident | 94 Ų | 94 | 70.8 Ų | 70.8 | 44% | 0.439 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 131.3 | 173.9 | -174.1 | 179.3 | 155.4 | 0 | 0 | 108.6 | V400 | E381-V400 HydrophobicContact CB-CB 3.99Å; E381-V400 HydrophobicContact CB-CG2 4.05Å; E381-V400 PolarHBondContact N-O 2.69Å; E381-V400 WeakPolarHBondContact O-CB 3.41Å; E381-V400 PolarHBondContact O-N 3.33Å |
| 382 | L | 86.3 | Confident | 75.5 | Confident | 15 Ų | 15 | 73.4 Ų | 73.4 | 8% | 0.079 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 142.2 | 168 | -160.5 | 148.8 | 0 | 0 | 0 | 107.9 | E366 L369 K370 V379 I384 V399 | E366-L382 HydrophobicContact CG-CB 4.34Å; E366-L382 HydrophobicContact CG-CD2 3.94Å; L369-L382 HydrophobicContact CB-CD1 4.18Å; L369-L382 HydrophobicContact CD2-CD1 4.2Å; L369-L382 HydrophobicContact CD2-CD2 4.04Å; L369-L382 HydrophobicContact CG-CD1 4.05Å; K370-L382 HydrophobicContact CB-CD1 3.97Å; V379-L382 HydrophobicContact CG1-CB 4.27Å; L382-I384 HydrophobicContact CD2-CD1 4.16Å; L382-I384 HydrophobicContact CD2-CG1 3.53Å; L382-V399 HydrophobicContact CD1-CG1 4.43Å; L382-V399 HydrophobicContact CD1-CG2 4.06Å; L382-V399 HydrophobicContact CG-CG2 4.17Å |
| 383 | R | 84.2 | Confident | 74.1 | Confident | 136 Ų | 136 | 76 Ų | 76 | 51% | 0.513 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 99.9 | -178.1 | -177.2 | -170.5 | 174.2 | 105.2 | 13.9 | 110.5 | N385 G397 F398 | R383-N385 PolarHBondContact NE-OD1 2.94Å; R383-N385 PolarHBondContact NH2-OD1 2.92Å; R383-G397 CarbonylContact O-C 3.58Å; R383-G397 WeakPolarHBondContact O-CA 3.27Å; R383-F398 PolarHBondContact N-O 3.19Å; R383-F398 PolarHBondContact O-N 3.06Å |
| 384 | I | 84 | Confident | 73.1 | Confident | 39 Ų | 39 | 79.1 Ų | 79.1 | 20% | 0.2 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 137.7 | 170.2 | -51.3 | -173.4 | 0 | 0 | 0 | 108.7 | L360 I364 E366 L369 L382 T386 | L360-I384 HydrophobicContact CD1-CG1 4.5Å; L360-I384 HydrophobicContact CD1-CG2 4.22Å; I364-I384 HydrophobicContact CG1-CD1 4.02Å; I364-I384 HydrophobicContact CG2-CD1 3.93Å; I364-I384 HydrophobicContact CG2-CG2 4.18Å; E366-I384 HydrophobicContact CB-CD1 4.32Å; L369-I384 HydrophobicContact CD2-CD1 3.98Å; L369-I384 HydrophobicContact CD2-CG1 4.25Å; L382-I384 HydrophobicContact CD2-CD1 4.16Å; L382-I384 HydrophobicContact CD2-CG1 3.53Å; I384-T386 HydrophobicContact CG2-CG2 4.03Å |
| 385 | N | 78.5 | Confident | 72.6 | Confident | 44 Ų | 44 | 74.7 Ų | 74.7 | 24% | 0.235 | 42% | 0.421 | C | S | . | . | trans | -129.3 | 68.1 | -172.4 | -130.5 | 117.9 | 0 | 0 | 0 | 109.7 | R383 K387 F396 | R383-N385 PolarHBondContact NE-OD1 2.94Å; R383-N385 PolarHBondContact NH2-OD1 2.92Å; N385-K387 PolarHBondContact O-N 2.94Å; N385-K387 VanDerWaalsContact O-N 3.17Å; N385-F396 CarbonylContact C-O 3.57Å; N385-F396 WeakPolarHBondContact CA-O 3.32Å; N385-F396 HydrophobicContact CB-CD2 4.06Å; N385-F396 HydrophobicContact CB-CE2 3.66Å; N385-F396 HydrophobicContact CB-CZ 4.08Å; N385-F396 WeakPolarHBondContact CB-O 3.21Å; N385-F396 PolarHBondContact N-O 3.36Å | ||
| 386 | T | 71.7 | Confident | 72.6 | Confident | 98 Ų | 98 | 71.9 Ų | 71.9 | 60% | 0.601 | 40% | 0.4 | S | S | * | . | trans | -56.1 | 116.4 | 177.3 | 60.6 | 0 | 0 | 0 | 0 | 110 | I384 N395 | I384-T386 HydrophobicContact CG2-CG2 4.03Å; T386-N395 WeakPolarHBondContact CA-OD1 3.42Å; T386-N395 WeakPolarHBondContact CB-OD1 3.01Å; T386-N395 WeakPolarHBondContact CG2-OD1 3.32Å | ||
| 387 | K | 56.4 | Low | 72.8 | Confident | 143 Ų | 143 | 69 Ų | 69 | 62% | 0.622 | 39% | 0.389 | S | S | * | . | trans | -126.2 | 9.3 | -170 | -136.9 | -170.7 | -175.5 | -172.4 | 0 | 114.7 | N385 F396 | N385-K387 PolarHBondContact O-N 2.94Å; N385-K387 VanDerWaalsContact O-N 3.17Å; K387-F396 HydrophobicContact CB-CE1 3.8Å; K387-F396 HydrophobicContact CB-CZ 4.44Å; K387-F396 HydrophobicContact CD-CE1 3.91Å; K387-F396 HydrophobicContact CD-CZ 4.02Å; K387-F396 HydrophobicContact CG-CE1 4.42Å | ||
| 388 | G | 52.2 | Low | 72.9 | Confident | 33 Ų | 33 | 70.7 Ų | 70.7 | 34% | 0.34 | 39% | 0.391 | S | S | . | . | trans | -83.6 | 106.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | G390 | G388-G390 PolarHBondContact O-N 3.26Š| ||
| 389 | V | 45.2 | Very low | 73 | Confident | 153 Ų | 153 | 66.7 Ų | 66.7 | 93% | 0.927 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | 102.4 | 154.2 | 176.6 | 0 | 0 | 0 | 0 | 106 | ||
| 390 | G | 51.8 | Low | 72.9 | Confident | 62 Ų | 62 | 67 Ų | 67 | 64% | 0.639 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.3 | 54.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | G388 K392 | G388-G390 PolarHBondContact O-N 3.26Å; G390-K392 WeakPolarHBondContact O-CG 3.3Å; G390-K392 PolarHBondContact O-N 2.78Å |
| 391 | G | 55.8 | Low | 73.1 | Confident | 48 Ų | 48 | 64.2 Ų | 64.2 | 50% | 0.495 | 36% | 0.355 | S | S | . | . | S | Bend | trans | 72.6 | -43.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | H362 L393 | H362-G391 PolarHBondContact CE1-O 2.96Å; G391-L393 PolarHBondContact O-N 3.29Å |
| 392 | K | 53.8 | Low | 73.4 | Confident | 199 Ų | 199 | 62.8 Ų | 62.8 | 87% | 0.865 | 35% | 0.35 | S | S | * | . | trans | -70 | 21.1 | -158.8 | -64.9 | 175.6 | -174.8 | -167.4 | 0 | 117.8 | G390 | G390-K392 WeakPolarHBondContact O-CG 3.3Å; G390-K392 PolarHBondContact O-N 2.78Å | ||
| 393 | L | 57.3 | Low | 73.5 | Confident | 103 Ų | 103 | 66.7 Ų | 66.7 | 54% | 0.539 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -143.8 | 123.8 | 173.2 | -72.1 | 176.1 | 0 | 0 | 0 | 109.6 | G391 | G391-L393 PolarHBondContact O-N 3.29Š|
| 394 | P | 64.8 | Low | 73.5 | Confident | 66 Ų | 66 | 61.8 Ų | 61.8 | 43% | 0.429 | 36% | 0.358 | S | S | . | . | trans | -63 | 149.8 | -179.3 | 26.7 | -35.1 | 0 | 0 | 0 | 111.1 | ||||
| 395 | N | 77.7 | Confident | 73.6 | Confident | 7 Ų | 7 | 63.7 Ų | 63.7 | 4% | 0.037 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 148.4 | 180 | -75.4 | -27.4 | 0 | 0 | 0 | 110.9 | N359 L360 P361 H362 T386 | N359-N395 PolarHBondContact N-O 3.28Å; L360-N395 HydrophobicContact CB-CB 3.76Å; L360-N395 PolarHBondContact N-O 3.22Å; L360-N395 PolarHBondContact O-N 3.07Å; P361-N395 PolarHBondContact O-ND2 3.13Å; H362-N395 WeakPolarHBondContact CA-ND2 3.45Å; H362-N395 PolarHBondContact O-ND2 3.21Å; T386-N395 WeakPolarHBondContact CA-OD1 3.42Å; T386-N395 WeakPolarHBondContact CB-OD1 3.01Å; T386-N395 WeakPolarHBondContact CG2-OD1 3.32Å |
| 396 | F | 85.2 | Confident | 74 | Confident | 48 Ų | 48 | 61.9 Ų | 61.9 | 21% | 0.211 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 149.6 | 170.4 | 68.3 | -94.1 | 0 | 0 | 0 | 110.1 | F356 V357 N385 K387 F398 | F356-F396 HydrophobicContact CE2-CB 3.74Å; F356-F396 AromaticContact CE2-CD2 3.73Å; F356-F396 HydrophobicContact CE2-CD2 3.73Å; F356-F396 AromaticContact CE2-CG 3.94Å; F356-F396 HydrophobicContact CE2-CG 3.94Å; F356-F396 HydrophobicContact CZ-CB 3.89Å; F356-F396 HydrophobicContact CZ-CG 4.39Å; V357-F396 CarbonylContact O-C 3.59Å; V357-F396 VanDerWaalsContact O-CA 3.26Å; V357-F396 WeakPolarHBondContact O-CA 3.4Å; N385-F396 CarbonylContact C-O 3.57Å; N385-F396 WeakPolarHBondContact CA-O 3.32Å; N385-F396 HydrophobicContact CB-CD2 4.06Å; N385-F396 HydrophobicContact CB-CE2 3.66Å; N385-F396 HydrophobicContact CB-CZ 4.08Å; N385-F396 WeakPolarHBondContact CB-O 3.21Å; N385-F396 PolarHBondContact N-O 3.36Å; K387-F396 HydrophobicContact CB-CE1 3.8Å; K387-F396 HydrophobicContact CB-CZ 4.44Å; K387-F396 HydrophobicContact CD-CE1 3.91Å; K387-F396 HydrophobicContact CD-CZ 4.02Å; K387-F396 HydrophobicContact CG-CE1 4.42Å; F396-F398 HydrophobicContact CD2-CE2 4.25Å; F396-F398 HydrophobicContact CE2-CE2 4.02Å; F396-F398 HydrophobicContact CE2-CZ 4.44Å |
| 397 | G | 87.5 | Confident | 74.6 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.01 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 171 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V357 R383 | V357-G397 PolarHBondContact N-O 2.95Å; V357-G397 PolarHBondContact O-N 3.09Å; R383-G397 CarbonylContact O-C 3.58Å; R383-G397 WeakPolarHBondContact O-CA 3.27Å |
| 398 | F | 89.4 | Confident | 76 | Confident | 51 Ų | 51 | 56.7 Ų | 56.7 | 22% | 0.224 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 134.9 | 165.6 | -60.6 | -81.8 | 0 | 0 | 0 | 108.8 | L355 F356 R383 F396 K432 | L355-F398 CarbonylContact O-C 3.59Å; L355-F398 VanDerWaalsContact O-CA 3.28Å; L355-F398 WeakPolarHBondContact O-CA 3.42Å; F356-F398 HydrophobicContact CB-CD1 4.35Å; F356-F398 HydrophobicContact CB-CE1 4.21Å; F356-F398 HydrophobicContact CD2-CD1 4.24Å; F356-F398 AromaticContact CD2-CE1 3.64Å; F356-F398 HydrophobicContact CD2-CE1 3.64Å; F356-F398 AromaticContact CD2-CZ 3.98Å; F356-F398 HydrophobicContact CD2-CZ 3.98Å; F356-F398 HydrophobicContact CG-CE1 4.4Å; R383-F398 PolarHBondContact N-O 3.19Å; R383-F398 PolarHBondContact O-N 3.06Å; F396-F398 HydrophobicContact CD2-CE2 4.25Å; F396-F398 HydrophobicContact CE2-CE2 4.02Å; F396-F398 HydrophobicContact CE2-CZ 4.44Å; F398-K432 HydrophobicContact CD1-CD 4.09Å; F398-K432 HydrophobicContact CD1-CG 4Å; F398-K432 HydrophobicContact CE1-CD 4.31Å; F398-K432 HydrophobicContact CE1-CG 3.89Å |
| 399 | V | 89.6 | Confident | 77.5 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.006 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 130 | 174.4 | -170.9 | 0 | 0 | 0 | 0 | 107.2 | Q354 L355 V357 F373 V379 L382 F401 | Q354-V399 WeakPolarHBondContact CA-O 3.5Å; L355-V399 HydrophobicContact CB-CB 4.16Å; L355-V399 PolarHBondContact N-O 3.44Å; L355-V399 PolarHBondContact O-N 3.05Å; V357-V399 HydrophobicContact CG2-CG2 3.79Å; F373-V399 HydrophobicContact CB-CG1 4.18Å; F373-V399 HydrophobicContact CD2-CG1 4.29Å; F373-V399 HydrophobicContact CD2-CG2 3.66Å; F373-V399 HydrophobicContact CE2-CG2 3.82Å; F373-V399 HydrophobicContact CG-CG1 4.28Å; F373-V399 HydrophobicContact CG-CG2 4.35Å; V379-V399 HydrophobicContact CB-CG1 4.39Å; V379-V399 HydrophobicContact CG1-CG1 3.64Å; V379-V399 HydrophobicContact CG2-CG1 3.85Å; L382-V399 HydrophobicContact CD1-CG1 4.43Å; L382-V399 HydrophobicContact CD1-CG2 4.06Å; L382-V399 HydrophobicContact CG-CG2 4.17Å; V399-F401 HydrophobicContact CB-CE2 4.26Å; V399-F401 HydrophobicContact CG1-CD2 4.47Å; V399-F401 HydrophobicContact CG1-CE2 3.83Å; V399-F401 HydrophobicContact CG1-CZ 3.86Å |
| 400 | V | 89.6 | Confident | 79.3 | Confident | 7 Ų | 7 | 54.2 Ų | 54.2 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 120.9 | -178.3 | -173.5 | 0 | 0 | 0 | 0 | 108.5 | Y349 Q354 V380 E381 | Y349-V400 HydrophobicContact CD1-CG1 4.14Å; Y349-V400 HydrophobicContact CD2-CG1 3.54Å; Y349-V400 HydrophobicContact CE2-CG1 4.27Å; Y349-V400 HydrophobicContact CG-CG1 3.47Å; Y349-V400 VanDerWaalsContact CG-CG1 3.47Å; Q354-V400 HydrophobicContact CG-CB 4.49Å; Q354-V400 HydrophobicContact CG-CG1 4.1Å; Q354-V400 HydrophobicContact CG-CG2 4.01Å; V380-V400 PolarHBondContact N-O 3.13Å; E381-V400 HydrophobicContact CB-CB 3.99Å; E381-V400 HydrophobicContact CB-CG2 4.05Å; E381-V400 PolarHBondContact N-O 2.69Å; E381-V400 WeakPolarHBondContact O-CB 3.41Å; E381-V400 PolarHBondContact O-N 3.33Å |
| 401 | F | 90.9 | Very high | 80.7 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 164.9 | 175.4 | -63.2 | -88.2 | 0 | 0 | 0 | 110.6 | H353 L355 F373 G377 N378 V379 V399 D403 P406 V407 I410 | H353-F401 PolarHBondContact O-N 3.18Å; L355-F401 HydrophobicContact CB-CE2 4.07Å; L355-F401 HydrophobicContact CD2-CE2 4.06Å; L355-F401 HydrophobicContact CD2-CZ 4.5Å; F373-F401 HydrophobicContact CB-CE1 4.33Å; F373-F401 HydrophobicContact CB-CZ 4Å; F373-F401 HydrophobicContact CD1-CZ 4.25Å; F373-F401 HydrophobicContact CG-CZ 4.36Å; G377-F401 WeakPolarHBondContact O-CE1 3.29Å; N378-F401 WeakPolarHBondContact O-CA 3.3Å; V379-F401 HydrophobicContact CG2-CD1 4.1Å; V379-F401 HydrophobicContact CG2-CE1 3.64Å; V379-F401 HydrophobicContact CG2-CZ 4.22Å; V399-F401 HydrophobicContact CB-CE2 4.26Å; V399-F401 HydrophobicContact CG1-CD2 4.47Å; V399-F401 HydrophobicContact CG1-CE2 3.83Å; V399-F401 HydrophobicContact CG1-CZ 3.86Å; F401-D403 WeakPolarHBondContact CB-O 3.27Å; F401-P406 HydrophobicContact CB-CB 4.43Å; F401-P406 HydrophobicContact CB-CG 4.26Å; F401-P406 HydrophobicContact CD1-CB 3.53Å; F401-P406 HydrophobicContact CD1-CG 3.87Å; F401-P406 HydrophobicContact CD2-CB 4.27Å; F401-P406 HydrophobicContact CE1-CB 3.73Å; F401-P406 HydrophobicContact CE1-CG 4.48Å; F401-P406 HydrophobicContact CE2-CB 4.44Å; F401-P406 HydrophobicContact CG-CB 3.82Å; F401-P406 HydrophobicContact CG-CG 4.13Å; F401-P406 HydrophobicContact CZ-CB 4.18Å; F401-V407 HydrophobicContact CD2-CG2 3.69Å; F401-V407 HydrophobicContact CE2-CG2 4.17Å; F401-I410 HydrophobicContact CE2-CD1 4.11Å; F401-I410 HydrophobicContact CZ-CD1 3.7Å |
| 402 | D | 89.5 | Confident | 81.8 | Confident | 64 Ų | 64 | 53 Ų | 53 | 34% | 0.342 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -70.2 | -41.1 | 168.5 | 47.5 | 3.6 | 0 | 0 | 0 | 112 | H353 N378 V380 | H353-D402 PolarHBondContact CE1-O 3.12Å; H353-D402 PolarHBondContact ND1-O 2.84Å; N378-D402 WeakPolarHBondContact CB-OD2 3.29Å; N378-D402 PolarHBondContact ND2-OD2 3.46Å; N378-D402 PolarHBondContact O-N 3.35Å; V380-D402 HydrophobicContact CG2-CB 3.77Å |
| 403 | D | 87.4 | Confident | 82.6 | Confident | 97 Ų | 97 | 44.8 Ų | 44.8 | 52% | 0.519 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -112.4 | 167.1 | -180 | -77 | -38.8 | 0 | 0 | 0 | 114.4 | F401 P406 | F401-D403 WeakPolarHBondContact CB-O 3.27Å; D403-P406 WeakPolarHBondContact O-CD 3.4Å |
| 404 | S | 85.6 | Confident | 83.3 | Confident | 33 Ų | 33 | 43.6 Ų | 43.6 | 23% | 0.231 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -79 | -23 | 173.4 | 52.6 | 0 | 0 | 0 | 0 | 114.4 | V407 Q408 | S404-V407 WeakPolarHBondContact O-CB 3.47Å; S404-V407 PolarHBondContact O-N 2.9Å; S404-Q408 PolarHBondContact O-N 3.5Å |
| 405 | D | 85.1 | Confident | 83.1 | Confident | 80 Ų | 80 | 46.7 Ų | 46.7 | 43% | 0.428 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.3 | -39.7 | -172.5 | -72.4 | 21.8 | 0 | 0 | 0 | 114.2 | V407 Q408 R409 | D405-V407 VanDerWaalsContact C-N 3.31Å; D405-V407 PolarHBondContact O-N 3.32Å; D405-Q408 PolarHBondContact O-N 2.81Å; D405-R409 WeakPolarHBondContact O-CG 3.46Å; D405-R409 PolarHBondContact O-N 2.92Å; D405-R409 IonicContact OD2-NH2 3.68Å |
| 406 | P | 86.8 | Confident | 82.2 | Confident | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.032 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.6 | -42.7 | 175.5 | -24.4 | 36.7 | 0 | 0 | 0 | 111.7 | F401 D403 Q408 R409 I410 | F401-P406 HydrophobicContact CB-CB 4.43Å; F401-P406 HydrophobicContact CB-CG 4.26Å; F401-P406 HydrophobicContact CD1-CB 3.53Å; F401-P406 HydrophobicContact CD1-CG 3.87Å; F401-P406 HydrophobicContact CD2-CB 4.27Å; F401-P406 HydrophobicContact CE1-CB 3.73Å; F401-P406 HydrophobicContact CE1-CG 4.48Å; F401-P406 HydrophobicContact CE2-CB 4.44Å; F401-P406 HydrophobicContact CG-CB 3.82Å; F401-P406 HydrophobicContact CG-CG 4.13Å; F401-P406 HydrophobicContact CZ-CB 4.18Å; D403-P406 WeakPolarHBondContact O-CD 3.4Å; P406-Q408 VanDerWaalsContact C-N 3.32Å; P406-Q408 PolarHBondContact O-N 3.02Å; P406-R409 PolarHBondContact O-N 2.58Å; P406-I410 WeakPolarHBondContact O-CD1 3.44Å; P406-I410 WeakPolarHBondContact O-CG1 3.35Å; P406-I410 PolarHBondContact O-N 2.89Å |
| 407 | V | 85.4 | Confident | 81.3 | Confident | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.018 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.2 | -45.1 | 176.2 | 176.7 | 0 | 0 | 0 | 0 | 110.6 | L355 F401 S404 D405 L411 | L355-V407 HydrophobicContact CD1-CB 4.35Å; L355-V407 HydrophobicContact CD1-CG1 3.88Å; L355-V407 HydrophobicContact CD1-CG2 4.33Å; F401-V407 HydrophobicContact CD2-CG2 3.69Å; F401-V407 HydrophobicContact CE2-CG2 4.17Å; S404-V407 WeakPolarHBondContact O-CB 3.47Å; S404-V407 PolarHBondContact O-N 2.9Å; D405-V407 VanDerWaalsContact C-N 3.31Å; D405-V407 PolarHBondContact O-N 3.32Å; V407-L411 HydrophobicContact CG1-CD1 3.79Å; V407-L411 WeakPolarHBondContact O-CB 3.12Å; V407-L411 WeakPolarHBondContact O-CD1 3.34Å; V407-L411 WeakPolarHBondContact O-CG 3.29Å; V407-L411 PolarHBondContact O-N 2.92Å |
| 408 | Q | 84.6 | Confident | 80.4 | Confident | 129 Ų | 129 | 58 Ų | 58 | 60% | 0.603 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -66.8 | -41 | 177.4 | -66.2 | -176.8 | 25.7 | 0 | 0 | 112.9 | S404 D405 P406 L411 G412 | S404-Q408 PolarHBondContact O-N 3.5Å; D405-Q408 PolarHBondContact O-N 2.81Å; P406-Q408 VanDerWaalsContact C-N 3.32Å; P406-Q408 PolarHBondContact O-N 3.02Å; Q408-L411 PolarHBondContact O-N 3.48Å; Q408-G412 PolarHBondContact O-N 3.05Å |
| 409 | R | 84.1 | Confident | 79.8 | Confident | 134 Ų | 134 | 56.1 Ų | 56.1 | 51% | 0.506 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 176.4 | -69 | 170.5 | -153.9 | 149.9 | 4.6 | 111.7 | Y376 D405 P406 G412 A413 | Y376-R409 PolarHBondContact O-NH1 2.93Å; D405-R409 WeakPolarHBondContact O-CG 3.46Å; D405-R409 PolarHBondContact O-N 2.92Å; D405-R409 IonicContact OD2-NH2 3.68Å; P406-R409 PolarHBondContact O-N 2.58Å; R409-G412 PolarHBondContact O-N 3.02Å; R409-A413 PolarHBondContact O-N 2.76Å |
| 410 | I | 84.1 | Confident | 79.1 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.5 | -40.2 | 179.6 | -59.3 | 158.6 | 0 | 0 | 0 | 110.5 | L355 F373 Y376 F401 P406 G412 A413 K414 I419 V429 | L355-I410 HydrophobicContact CD2-CD1 3.77Å; L355-I410 HydrophobicContact CD2-CG2 4.37Å; F373-I410 HydrophobicContact CD1-CD1 3.79Å; F373-I410 HydrophobicContact CE1-CD1 4.1Å; F373-I410 HydrophobicContact CE1-CG2 4.44Å; Y376-I410 HydrophobicContact CD1-CG1 3.55Å; Y376-I410 HydrophobicContact CD2-CD1 4.12Å; Y376-I410 HydrophobicContact CD2-CG1 3.82Å; Y376-I410 HydrophobicContact CE1-CG1 4.09Å; Y376-I410 HydrophobicContact CE2-CG1 4.32Å; Y376-I410 HydrophobicContact CG-CD1 3.9Å; Y376-I410 HydrophobicContact CG-CG1 3.4Å; F401-I410 HydrophobicContact CE2-CD1 4.11Å; F401-I410 HydrophobicContact CZ-CD1 3.7Å; P406-I410 WeakPolarHBondContact O-CD1 3.44Å; P406-I410 WeakPolarHBondContact O-CG1 3.35Å; P406-I410 PolarHBondContact O-N 2.89Å; I410-G412 VanDerWaalsContact C-N 3.3Å; I410-G412 PolarHBondContact O-N 2.94Å; I410-A413 PolarHBondContact O-N 2.95Å; I410-K414 PolarHBondContact O-N 3.01Å; I410-I419 HydrophobicContact CG2-CD1 3.53Å; I410-V429 HydrophobicContact CG2-CB 4.34Å; I410-V429 HydrophobicContact CG2-CG1 3.74Å; I410-V429 HydrophobicContact CG2-CG2 4.3Å |
| 411 | L | 81.6 | Confident | 78.4 | Confident | 50 Ų | 50 | 59 Ų | 59 | 26% | 0.262 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -67.5 | -29.9 | 174.7 | -68.6 | 168 | 0 | 0 | 0 | 112.7 | V407 Q408 V429 E431 | V407-L411 HydrophobicContact CG1-CD1 3.79Å; V407-L411 WeakPolarHBondContact O-CB 3.12Å; V407-L411 WeakPolarHBondContact O-CD1 3.34Å; V407-L411 WeakPolarHBondContact O-CG 3.29Å; V407-L411 PolarHBondContact O-N 2.92Å; Q408-L411 PolarHBondContact O-N 3.48Å; L411-V429 HydrophobicContact CD2-CG1 4.44Å; L411-E431 HydrophobicContact CD1-CB 3.99Å |
| 412 | G | 77.1 | Confident | 77.4 | Confident | 34 Ų | 34 | 65.2 Ų | 65.2 | 35% | 0.351 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.9 | -48.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q408 R409 I410 K414 V415 E416 | Q408-G412 PolarHBondContact O-N 3.05Å; R409-G412 PolarHBondContact O-N 3.02Å; I410-G412 VanDerWaalsContact C-N 3.3Å; I410-G412 PolarHBondContact O-N 2.94Å; G412-K414 PolarHBondContact O-N 2.93Å; G412-V415 WeakPolarHBondContact O-CA 3.41Å; G412-V415 WeakPolarHBondContact O-CB 3.22Å; G412-V415 PolarHBondContact O-N 3.38Å; G412-E416 PolarHBondContact O-N 2.93Å |
| 413 | A | 72.3 | Confident | 76.2 | Confident | 28 Ų | 28 | 64.9 Ų | 64.9 | 23% | 0.231 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -56.3 | -35.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | R409 I410 V415 E416 G417 | R409-A413 PolarHBondContact O-N 2.76Å; I410-A413 PolarHBondContact O-N 2.95Å; A413-V415 PolarHBondContact O-N 3.17Å; A413-E416 PolarHBondContact O-N 2.81Å; A413-E416 VanDerWaalsContact O-N 3.1Å; A413-G417 PolarHBondContact O-N 2.69Å |
| 414 | K | 70.2 | Confident | 75.2 | Confident | 78 Ų | 78 | 67.7 Ų | 67.7 | 34% | 0.339 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.9 | -23.2 | 173.3 | -166.6 | 179.6 | -177.2 | -175.3 | 0 | 114.3 | I410 G412 G417 I419 N428 V429 | I410-K414 PolarHBondContact O-N 3.01Å; G412-K414 PolarHBondContact O-N 2.93Å; K414-G417 CarbonylContact C-O 3.49Å; K414-G417 WeakPolarHBondContact CA-O 3.29Å; K414-I419 HydrophobicContact CB-CD1 3.97Å; K414-I419 HydrophobicContact CG-CD1 4.45Å; K414-N428 PolarHBondContact NZ-OD1 3.34Å; K414-V429 VanDerWaalsContact CD-O 3.25Å; K414-V429 WeakPolarHBondContact CD-O 3.28Å; K414-V429 WeakPolarHBondContact CE-O 3.49Å; K414-V429 PolarHBondContact NZ-O 2.99Å |
| 415 | V | 60.6 | Low | 74.6 | Confident | 130 Ų | 130 | 67.9 Ų | 67.9 | 79% | 0.788 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -84.6 | -30.4 | 175.5 | -178.5 | 0 | 0 | 0 | 0 | 111.2 | G412 A413 | G412-V415 WeakPolarHBondContact O-CA 3.41Å; G412-V415 WeakPolarHBondContact O-CB 3.22Å; G412-V415 PolarHBondContact O-N 3.38Å; A413-V415 PolarHBondContact O-N 3.17Å |
| 416 | E | 60.1 | Low | 74.4 | Confident | 183 Ų | 183 | 71.8 Ų | 71.8 | 86% | 0.855 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -84 | -28.8 | 179 | -63.7 | 178.5 | 166.7 | 0 | 0 | 112.4 | G412 A413 | G412-E416 PolarHBondContact O-N 2.93Å; A413-E416 PolarHBondContact O-N 2.81Å; A413-E416 VanDerWaalsContact O-N 3.1Å |
| 417 | G | 65.6 | Low | 74.3 | Confident | 28 Ų | 28 | 72 Ų | 72 | 29% | 0.289 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -170.6 | 171.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | A413 K414 | A413-G417 PolarHBondContact O-N 2.69Å; K414-G417 CarbonylContact C-O 3.49Å; K414-G417 WeakPolarHBondContact CA-O 3.29Å |
| 418 | P | 69.6 | Low | 74.2 | Confident | 84 Ų | 84 | 74.7 Ų | 74.7 | 55% | 0.545 | 39% | 0.389 | S | S | . | . | trans | -68.1 | 131.6 | 172 | 29.4 | -33.4 | 0 | 0 | 0 | 110.5 | M420 R426 | P418-M420 HydrophobicContact CB-SD 4.18Å; P418-M420 HydrophobicContact CG-SD 4.21Å; P418-M420 PolarHBondContact O-N 3.1Å; P418-M420 VanDerWaalsContact O-N 3.14Å; P418-R426 HydrophobicContact CB-CG 4.35Å | ||
| 419 | I | 76.9 | Confident | 74.2 | Confident | 11 Ų | 11 | 68.5 Ų | 68.5 | 6% | 0.056 | 36% | 0.36 | C | S | . | . | trans | -75.2 | 105.2 | 175.4 | -61 | 162.7 | 0 | 0 | 0 | 108.1 | F372 I410 K414 L427 V429 | F372-I419 HydrophobicContact CE1-CG2 3.97Å; F372-I419 HydrophobicContact CZ-CG2 3.86Å; I410-I419 HydrophobicContact CG2-CD1 3.53Å; K414-I419 HydrophobicContact CB-CD1 3.97Å; K414-I419 HydrophobicContact CG-CD1 4.45Å; I419-L427 HydrophobicContact CG2-CB 4.32Å; I419-L427 HydrophobicContact CG2-CD1 4.36Å; I419-L427 PolarHBondContact O-N 3.02Å; I419-V429 HydrophobicContact CD1-CB 3.88Å; I419-V429 HydrophobicContact CD1-CG2 3.69Å | ||
| 420 | M | 74.6 | Confident | 74.1 | Confident | 63 Ų | 63 | 65.4 Ų | 65.4 | 31% | 0.31 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 128.6 | 177.6 | -54 | -58.5 | -65.4 | 0 | 0 | 110.2 | P418 G423 E424 V425 R426 | P418-M420 HydrophobicContact CB-SD 4.18Å; P418-M420 HydrophobicContact CG-SD 4.21Å; P418-M420 PolarHBondContact O-N 3.1Å; P418-M420 VanDerWaalsContact O-N 3.14Å; M420-G423 WeakPolarHBondContact CE-O 3.36Å; M420-E424 VanDerWaalsContact CE-O 3.25Å; M420-E424 WeakPolarHBondContact CE-O 3.38Å; M420-V425 CarbonylContact C-O 3.59Å; M420-V425 WeakPolarHBondContact CA-O 3.27Å; M420-R426 HydrophobicContact CE-CG 3.91Å; M420-R426 HydrophobicContact SD-CB 4.49Å; M420-R426 HydrophobicContact SD-CG 3.39Å; M420-R426 WeakPolarHBondContact SD-CG 3.49Å |
| 421 | F | 73.9 | Confident | 74 | Confident | 5 Ų | 5 | 69.7 Ų | 69.7 | 2% | 0.022 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 135.9 | 168.8 | -178.2 | -97.4 | 0 | 0 | 0 | 109.4 | I364 E368 L369 F372 G423 E424 V425 L427 | I364-F421 HydrophobicContact CD1-CD1 4.23Å; I364-F421 HydrophobicContact CD1-CE1 3.42Å; I364-F421 VanDerWaalsContact CD1-CE1 3.42Å; I364-F421 HydrophobicContact CD1-CZ 3.61Å; E368-F421 HydrophobicContact CB-CZ 4.02Å; L369-F421 HydrophobicContact CD1-CD2 4.13Å; L369-F421 HydrophobicContact CD1-CE2 3.97Å; L369-F421 HydrophobicContact CD1-CZ 4.48Å; F372-F421 HydrophobicContact CB-CD2 4.06Å; F372-F421 HydrophobicContact CB-CE2 3.84Å; F372-F421 HydrophobicContact CD1-CD2 4.12Å; F372-F421 HydrophobicContact CD2-CD2 4.06Å; F372-F421 AromaticContact CG-CD2 3.81Å; F372-F421 HydrophobicContact CG-CD2 3.81Å; F372-F421 HydrophobicContact CG-CE2 4.13Å; F421-G423 PolarHBondContact O-N 2.94Å; F421-E424 PolarHBondContact O-N 3.11Å; F421-V425 PolarHBondContact N-O 2.72Å; F421-V425 PolarHBondContact O-N 3.41Å; F421-L427 HydrophobicContact CB-CD1 3.86Å; F421-L427 HydrophobicContact CB-CD2 3.92Å; F421-L427 HydrophobicContact CB-CG 3.76Å; F421-L427 HydrophobicContact CG-CD1 4.45Å |
| 422 | R | 70 | Confident | 73.7 | Confident | 131 Ų | 131 | 69.9 Ų | 69.9 | 49% | 0.494 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 13.1 | -166.4 | -68.4 | 178.6 | 176.2 | 178.4 | -4.4 | 115.1 | E368 E424 | E368-R422 IonicContact OE1-CZ 3.23Å; E368-R422 IonicContact OE1-NE 2.78Å; E368-R422 IonicContact OE1-NH2 2.88Å; E368-R422 PolarHBondContact OE1-NH2 3.21Å; E368-R422 IonicContact OE2-CZ 3.59Å; E368-R422 VanDerWaalsContact OE2-CZ 3.23Å; E368-R422 IonicContact OE2-NE 2.78Å; E368-R422 PolarHBondContact OE2-NE 2.72Å; E368-R422 IonicContact OE2-NH2 3.73Å; E368-R422 PolarHBondContact OE2-NH2 2.91Å; R422-E424 PolarHBondContact O-N 2.7Å |
| 423 | G | 65.3 | Low | 73.1 | Confident | 57 Ų | 57 | 74.7 Ų | 74.7 | 59% | 0.588 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.8 | -16.5 | -174 | 0 | 0 | 0 | 0 | 0 | 114.9 | M420 F421 | M420-G423 WeakPolarHBondContact CE-O 3.36Å; F421-G423 PolarHBondContact O-N 2.94Å |
| 424 | E | 65.2 | Low | 72.4 | Confident | 156 Ų | 156 | 76 Ų | 76 | 73% | 0.729 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | -43.9 | -170.2 | -64.3 | 164 | 162.7 | 0 | 0 | 112.4 | M420 F421 R422 | M420-E424 VanDerWaalsContact CE-O 3.25Å; M420-E424 WeakPolarHBondContact CE-O 3.38Å; F421-E424 PolarHBondContact O-N 3.11Å; R422-E424 PolarHBondContact O-N 2.7Å |
| 425 | V | 74.8 | Confident | 71.7 | Confident | 36 Ų | 36 | 81.9 Ų | 81.9 | 22% | 0.218 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 122.1 | -170.1 | -174.9 | 0 | 0 | 0 | 0 | 111.6 | N359 P361 M420 F421 L427 | N359-V425 WeakPolarHBondContact O-CG1 3.41Å; P361-V425 HydrophobicContact CB-CG2 4.4Å; P361-V425 HydrophobicContact CG-CG2 4.37Å; M420-V425 CarbonylContact C-O 3.59Å; M420-V425 WeakPolarHBondContact CA-O 3.27Å; F421-V425 PolarHBondContact N-O 2.72Å; F421-V425 PolarHBondContact O-N 3.41Å; V425-L427 PolarHBondContact O-N 2.88Å |
| 426 | R | 80.2 | Confident | 71.2 | Confident | 163 Ų | 163 | 79 Ų | 79 | 62% | 0.615 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 113.3 | 173.5 | -73.2 | 175.9 | 179.9 | 171.3 | 3.8 | 111.2 | N359 P418 M420 | N359-R426 PolarHBondContact ND2-O 2.84Å; P418-R426 HydrophobicContact CB-CG 4.35Å; M420-R426 HydrophobicContact CE-CG 3.91Å; M420-R426 HydrophobicContact SD-CB 4.49Å; M420-R426 HydrophobicContact SD-CG 3.39Å; M420-R426 WeakPolarHBondContact SD-CG 3.49Å |
| 427 | L | 83.5 | Confident | 71 | Confident | 9 Ų | 9 | 73.5 Ų | 73.5 | 5% | 0.047 | 38% | 0.375 | C | S | . | . | trans | -82.1 | 126.5 | 174.8 | -60.7 | -170.5 | 0 | 0 | 0 | 111.5 | V357 L360 L369 F372 F373 I419 F421 V425 V429 | V357-L427 HydrophobicContact CG1-CB 4.27Å; V357-L427 HydrophobicContact CG1-CD1 3.95Å; V357-L427 HydrophobicContact CG1-CD2 4.3Å; V357-L427 HydrophobicContact CG1-CG 4.42Å; L360-L427 HydrophobicContact CD2-CD2 3.86Å; L369-L427 HydrophobicContact CD1-CD1 4.45Å; F372-L427 HydrophobicContact CE1-CD1 4.21Å; F373-L427 HydrophobicContact CE2-CD1 4.42Å; F373-L427 HydrophobicContact CZ-CD1 3.95Å; I419-L427 HydrophobicContact CG2-CB 4.32Å; I419-L427 HydrophobicContact CG2-CD1 4.36Å; I419-L427 PolarHBondContact O-N 3.02Å; F421-L427 HydrophobicContact CB-CD1 3.86Å; F421-L427 HydrophobicContact CB-CD2 3.92Å; F421-L427 HydrophobicContact CB-CG 3.76Å; F421-L427 HydrophobicContact CG-CD1 4.45Å; V425-L427 PolarHBondContact O-N 2.88Å; L427-V429 HydrophobicContact CB-CG2 4.06Å; L427-V429 PolarHBondContact O-N 3.48Å | ||
| 428 | N | 83.1 | Confident | 70.4 | Confident | 59 Ų | 59 | 80.6 Ų | 80.6 | 32% | 0.316 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 91.7 | 168 | -178.4 | 41.1 | 0 | 0 | 0 | 110.6 | G358 K414 E430 | G358-N428 PolarHBondContact N-O 3.26Å; G358-N428 PolarHBondContact O-N 3.23Å; K414-N428 PolarHBondContact NZ-OD1 3.34Å; N428-E430 PolarHBondContact ND2-OE1 2.74Å |
| 429 | V | 85.1 | Confident | 69.5 | Low | 0 Ų | 0 | 79.8 Ų | 79.8 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 131 | 178.2 | 179.8 | 0 | 0 | 0 | 0 | 112 | L355 F356 V357 F373 I410 L411 K414 I419 L427 | L355-V429 HydrophobicContact CD1-CG1 3.39Å; L355-V429 HydrophobicContact CD2-CG1 3.68Å; L355-V429 HydrophobicContact CG-CG1 3.54Å; F356-V429 CarbonylContact O-C 3.6Å; F356-V429 WeakPolarHBondContact O-CA 3.29Å; V357-V429 HydrophobicContact CG1-CG2 4.43Å; F373-V429 HydrophobicContact CZ-CG2 4.45Å; I410-V429 HydrophobicContact CG2-CB 4.34Å; I410-V429 HydrophobicContact CG2-CG1 3.74Å; I410-V429 HydrophobicContact CG2-CG2 4.3Å; L411-V429 HydrophobicContact CD2-CG1 4.44Å; K414-V429 VanDerWaalsContact CD-O 3.25Å; K414-V429 WeakPolarHBondContact CD-O 3.28Å; K414-V429 WeakPolarHBondContact CE-O 3.49Å; K414-V429 PolarHBondContact NZ-O 2.99Å; I419-V429 HydrophobicContact CD1-CB 3.88Å; I419-V429 HydrophobicContact CD1-CG2 3.69Å; L427-V429 HydrophobicContact CB-CG2 4.06Å; L427-V429 PolarHBondContact O-N 3.48Å |
| 430 | E | 81.7 | Confident | 68.4 | Low | 69 Ų | 69 | 89.2 Ų | 89.2 | 32% | 0.322 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 154 | 175.6 | -65.1 | 178.1 | -146.5 | 0 | 0 | 111.4 | F356 N428 | F356-E430 HydrophobicContact CB-CB 4.43Å; F356-E430 HydrophobicContact CD1-CB 4.17Å; F356-E430 PolarHBondContact N-O 3.49Å; F356-E430 PolarHBondContact O-N 3.42Å; N428-E430 PolarHBondContact ND2-OE1 2.74Å |
| 431 | E | 83.1 | Confident | 67.3 | Low | 90 Ų | 90 | 93 Ų | 93 | 42% | 0.421 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 138.2 | 165 | -167.5 | -170.8 | -177.2 | 0 | 0 | 109.5 | L411 K433 | L411-E431 HydrophobicContact CD1-CB 3.99Å; E431-K433 VanDerWaalsContact C-N 3.31Å; E431-K433 PolarHBondContact O-N 2.87Å |
| 432 | K | 74.3 | Confident | 66.2 | Low | 54 Ų | 54 | 98.3 Ų | 98.3 | 24% | 0.235 | 47% | 0.467 | C | S | . | . | trans | -70.4 | 80.5 | -177.3 | -174.5 | -161.7 | 167.4 | -152.2 | 0 | 112.5 | D351 Q354 F398 T434 | D351-K432 WeakPolarHBondContact OD1-CE 3.41Å; D351-K432 IonicContact OD1-NZ 2.7Å; D351-K432 PolarHBondContact OD1-NZ 2.97Å; Q354-K432 HydrophobicContact CB-CB 3.87Å; Q354-K432 HydrophobicContact CB-CD 3.5Å; Q354-K432 HydrophobicContact CB-CG 4.35Å; Q354-K432 HydrophobicContact CG-CD 4.23Å; Q354-K432 WeakPolarHBondContact O-CB 3.44Å; Q354-K432 PolarHBondContact O-N 3.15Å; F398-K432 HydrophobicContact CD1-CD 4.09Å; F398-K432 HydrophobicContact CD1-CG 4Å; F398-K432 HydrophobicContact CE1-CD 4.31Å; F398-K432 HydrophobicContact CE1-CG 3.89Å; K432-T434 PolarHBondContact O-N 3.43Å | ||
| 433 | K | 65.3 | Low | 65.1 | Low | 135 Ų | 135 | 100.5 Ų | 100.5 | 59% | 0.587 | 48% | 0.475 | S | S | * | . | trans | -59.2 | 123.1 | 172.7 | -68.4 | 179.2 | -178.5 | 175.7 | 0 | 111 | E431 | E431-K433 VanDerWaalsContact C-N 3.31Å; E431-K433 PolarHBondContact O-N 2.87Å | ||
| 434 | T | 57.6 | Low | 64.1 | Low | 55 Ų | 55 | 101.3 Ų | 101.3 | 34% | 0.337 | 48% | 0.483 | S | S | . | . | trans | -60.3 | 145.2 | 179 | 62.8 | 0 | 0 | 0 | 0 | 111.6 | D351 K432 A436 V437 R438 | D351-T434 HydrophobicContact CB-CG2 4.19Å; D351-T434 WeakPolarHBondContact OD2-CG2 3.32Å; K432-T434 PolarHBondContact O-N 3.43Å; T434-A436 PolarHBondContact O-N 3.11Å; T434-V437 PolarHBondContact O-N 3.18Å; T434-R438 PolarHBondContact O-N 2.88Å | ||
| 435 | R | 54.7 | Low | 63.3 | Low | 202 Ų | 202 | 97.1 Ų | 97.1 | 76% | 0.762 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -50.9 | -34.3 | 179.6 | 179.8 | 175.7 | 170.9 | 166.5 | 0.7 | 113 | V437 R438 E439 | R435-V437 PolarHBondContact O-N 3.44Å; R435-R438 PolarHBondContact O-N 3.28Å; R435-E439 IonicContact NE-OE2 2.82Å; R435-E439 VanDerWaalsContact O-CB 3.24Å; R435-E439 WeakPolarHBondContact O-CB 3.41Å; R435-E439 PolarHBondContact O-N 3.06Å |
| 436 | A | 51 | Low | 62 | Low | 70 Ų | 70 | 99.9 Ų | 99.9 | 58% | 0.579 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.8 | -35.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | T434 R440 | T434-A436 PolarHBondContact O-N 3.11Å; A436-R440 VanDerWaalsContact O-CB 3.28Å; A436-R440 WeakPolarHBondContact O-CB 3.47Å; A436-R440 PolarHBondContact O-N 2.84Å; A436-R440 VanDerWaalsContact O-N 3.09Å |
| 437 | V | 54.7 | Low | 60.4 | Low | 67 Ų | 67 | 100.1 Ų | 100.1 | 41% | 0.406 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.9 | -50.6 | 176.5 | 177.2 | 0 | 0 | 0 | 0 | 110.1 | T434 R435 E439 R440 E441 | T434-V437 PolarHBondContact O-N 3.18Å; R435-V437 PolarHBondContact O-N 3.44Å; V437-E439 VanDerWaalsContact C-N 3.29Å; V437-E439 PolarHBondContact O-N 2.95Å; V437-R440 WeakPolarHBondContact O-CA 3.13Å; V437-R440 WeakPolarHBondContact O-CB 3.17Å; V437-R440 PolarHBondContact O-N 3.04Å; V437-E441 PolarHBondContact O-N 2.95Å |
| 438 | R | 53.1 | Low | 58.8 | Low | 177 Ų | 177 | 110.5 Ų | 110.5 | 67% | 0.668 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -59.4 | -38.1 | 179.3 | -163.4 | 172.4 | -173.4 | 137.9 | 0.6 | 112.5 | T434 R435 T442 | T434-R438 PolarHBondContact O-N 2.88Å; R435-R438 PolarHBondContact O-N 3.28Å; R438-T442 WeakPolarHBondContact O-CB 3.4Å; R438-T442 PolarHBondContact O-N 3.45Å; R438-T442 PolarHBondContact O-OG1 2.69Å |
| 439 | E | 52.4 | Low | 57.3 | Low | 67 Ų | 67 | 116.5 Ų | 116.5 | 31% | 0.313 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -74 | -28 | 176.5 | -166.3 | 154.9 | -166.4 | 0 | 0 | 112.6 | R435 V437 R443 | R435-E439 IonicContact NE-OE2 2.82Å; R435-E439 VanDerWaalsContact O-CB 3.24Å; R435-E439 WeakPolarHBondContact O-CB 3.41Å; R435-E439 PolarHBondContact O-N 3.06Å; V437-E439 VanDerWaalsContact C-N 3.29Å; V437-E439 PolarHBondContact O-N 2.95Å; E439-R443 PolarHBondContact O-N 3.48Å; E439-R443 IonicContact OE1-CZ 3.36Å; E439-R443 IonicContact OE1-NH1 2.68Å; E439-R443 PolarHBondContact OE1-NH1 3.33Å; E439-R443 IonicContact OE1-NH2 3.24Å; E439-R443 PolarHBondContact OE1-NH2 3.1Å |
| 440 | R | 53.1 | Low | 55.6 | Low | 208 Ų | 208 | 123.8 Ų | 123.8 | 79% | 0.785 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -73.2 | -42.1 | 174.6 | -165.9 | 176.4 | -156.4 | -107 | 2.4 | 112.4 | A436 V437 T442 R443 G444 | A436-R440 VanDerWaalsContact O-CB 3.28Å; A436-R440 WeakPolarHBondContact O-CB 3.47Å; A436-R440 PolarHBondContact O-N 2.84Å; A436-R440 VanDerWaalsContact O-N 3.09Å; V437-R440 WeakPolarHBondContact O-CA 3.13Å; V437-R440 WeakPolarHBondContact O-CB 3.17Å; V437-R440 PolarHBondContact O-N 3.04Å; R440-T442 VanDerWaalsContact C-N 3.32Å; R440-R443 PolarHBondContact O-N 2.81Å; R440-G444 PolarHBondContact O-N 2.68Å; R440-G444 VanDerWaalsContact O-N 3.07Å |
| 441 | E | 50.4 | Low | 54 | Low | 144 Ų | 144 | 129.4 Ų | 129.4 | 67% | 0.673 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -63.4 | -39.6 | 173.2 | -68.4 | 176 | 137 | 0 | 0 | 111.3 | V437 R443 | V437-E441 PolarHBondContact O-N 2.95Å; E441-R443 PolarHBondContact O-N 3.26Å |
| 442 | T | 52.3 | Low | 52.3 | Low | 115 Ų | 115 | 136.7 Ų | 136.7 | 71% | 0.706 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -73.5 | -21.7 | -179.2 | -51 | 0 | 0 | 0 | 0 | 113.7 | R438 R440 | R438-T442 WeakPolarHBondContact O-CB 3.4Å; R438-T442 PolarHBondContact O-N 3.45Å; R438-T442 PolarHBondContact O-OG1 2.69Å; R440-T442 VanDerWaalsContact C-N 3.32Å |
| 443 | R | 46.3 | Very low | 51.2 | Low | 177 Ų | 177 | 145.4 Ų | 145.4 | 67% | 0.668 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -113.5 | -3.8 | -177.9 | -69.8 | -154.9 | -174.7 | 103.6 | 9.3 | 116.5 | E439 R440 E441 G445 | E439-R443 PolarHBondContact O-N 3.48Å; E439-R443 IonicContact OE1-CZ 3.36Å; E439-R443 IonicContact OE1-NH1 2.68Å; E439-R443 PolarHBondContact OE1-NH1 3.33Å; E439-R443 IonicContact OE1-NH2 3.24Å; E439-R443 PolarHBondContact OE1-NH2 3.1Å; R440-R443 PolarHBondContact O-N 2.81Å; E441-R443 PolarHBondContact O-N 3.26Å; R443-G445 PolarHBondContact O-N 2.91Å |
| 444 | G | 45.2 | Very low | 50.3 | Low | 74 Ų | 74 | 144.5 Ų | 144.5 | 76% | 0.763 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | 25.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | R440 | R440-G444 PolarHBondContact O-N 2.68Å; R440-G444 VanDerWaalsContact O-N 3.07Å |
| 445 | G | 48.3 | Very low | 49.6 | Very low | 68 Ų | 68 | 149.7 Ų | 149.7 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.6 | -14.5 | -165.6 | 0 | 0 | 0 | 0 | 0 | 118 | R443 | R443-G445 PolarHBondContact O-N 2.91Š|
| 446 | D | 45.9 | Very low | 49 | Very low | 95 Ų | 95 | 151.7 Ų | 151.7 | 51% | 0.508 | 73% | 0.732 | S | S | . | * | trans | -118.4 | -1.6 | -169.7 | -146.1 | -1.1 | 0 | 0 | 0 | 116.1 | R448 R449 | D446-R448 PolarHBondContact O-N 3Å; D446-R449 IonicContact OD1-CZ 3.76Å; D446-R449 IonicContact OD1-NE 4Å; D446-R449 PolarHBondContact OD1-NE 3.06Å; D446-R449 IonicContact OD1-NH2 2.76Å; D446-R449 PolarHBondContact OD1-NH2 2.68Å; D446-R449 IonicContact OD2-CZ 3.9Å; D446-R449 IonicContact OD2-NE 2.8Å; D446-R449 IonicContact OD2-NH2 3.19Å; D446-R449 PolarHBondContact OD2-NH2 3.42Å | ||
| 447 | D | 47.4 | Very low | 48.2 | Very low | 168 Ų | 168 | 151.5 Ų | 151.5 | 90% | 0.898 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 39.9 | 174 | -88.3 | -63.9 | 0 | 0 | 0 | 113.5 | ||
| 448 | R | 49.9 | Very low | 48 | Very low | 226 Ų | 226 | 155 Ų | 155 | 85% | 0.853 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.6 | 5.3 | 178.6 | -73.3 | -171.2 | 174.4 | -178 | -0 | 114.7 | D446 | D446-R448 PolarHBondContact O-N 3Š|
| 449 | R | 52.6 | Low | 47.1 | Very low | 186 Ų | 186 | 150.5 Ų | 150.5 | 70% | 0.702 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -95.4 | -17.9 | -178.4 | -77.9 | -168 | -94.4 | -167.9 | -0.6 | 116.6 | D446 | D446-R449 IonicContact OD1-CZ 3.76Å; D446-R449 IonicContact OD1-NE 4Å; D446-R449 PolarHBondContact OD1-NE 3.06Å; D446-R449 IonicContact OD1-NH2 2.76Å; D446-R449 PolarHBondContact OD1-NH2 2.68Å; D446-R449 IonicContact OD2-CZ 3.9Å; D446-R449 IonicContact OD2-NE 2.8Å; D446-R449 IonicContact OD2-NH2 3.19Å; D446-R449 PolarHBondContact OD2-NH2 3.42Å |
| 450 | D | 49.2 | Very low | 46.1 | Very low | 152 Ų | 152 | 151 Ų | 151 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -96.9 | -9.6 | -178.2 | -93.9 | -54.5 | 0 | 0 | 0 | 116.6 | R452 | D450-R452 VanDerWaalsContact C-N 3.28Å; D450-R452 PolarHBondContact O-N 2.64Å |
| 451 | M | 46.4 | Very low | 46.3 | Very low | 187 Ų | 187 | 146.8 Ų | 146.8 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | 6 | 178.4 | -80.2 | -158.3 | 170.5 | 0 | 0 | 115.6 | ||
| 452 | R | 48.8 | Very low | 45.5 | Very low | 244 Ų | 244 | 151.9 Ų | 151.9 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | 26.8 | 176.5 | -71.1 | -166.6 | 175.7 | -166.4 | -0.5 | 114.5 | D450 | D450-R452 VanDerWaalsContact C-N 3.28Å; D450-R452 PolarHBondContact O-N 2.64Å |
| 453 | R | 51.3 | Low | 44.6 | Very low | 237 Ų | 237 | 149.6 Ų | 149.6 | 89% | 0.894 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -130.9 | 14 | 175.9 | -127.7 | -179.4 | -170.1 | -155.8 | 2.4 | 116.1 | ||
| 454 | S | 45.3 | Very low | 44.2 | Very low | 115 Ų | 115 | 149 Ų | 149 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -123.1 | 46.2 | -179.3 | -169.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 455 | D | 44 | Very low | 43.8 | Very low | 164 Ų | 164 | 152.3 Ų | 152.3 | 88% | 0.877 | 82% | 0.818 | S | S | * | * | trans | -114.5 | 63.6 | 174.2 | -141.3 | -37.5 | 0 | 0 | 0 | 111 | ||||
| 456 | R | 42.1 | Very low | 43.1 | Very low | 244 Ų | 244 | 152 Ų | 152 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | trans | -131.5 | 98.6 | 166.2 | -93.6 | -173.2 | 171.6 | 162.7 | -1.3 | 108.3 | ||||
| 457 | G | 33.4 | Very low | 43.1 | Very low | 66 Ų | 66 | 154 Ų | 154 | 68% | 0.68 | 83% | 0.833 | S | S | * | * | trans | -65.7 | 165.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 458 | P | 50.2 | Low | 42.3 | Very low | 140 Ų | 140 | 149.6 Ų | 149.6 | 91% | 0.909 | 83% | 0.827 | S | S | * | * | trans | -90.8 | 151.2 | -170.6 | 35.2 | -35.8 | 0 | 0 | 0 | 115.1 | ||||
| 459 | G | 34.3 | Very low | 41.9 | Very low | 84 Ų | 84 | 148.4 Ų | 148.4 | 87% | 0.866 | 83% | 0.834 | S | S | * | * | trans | 94.3 | 140.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 460 | G | 31.8 | Very low | 41.3 | Very low | 77 Ų | 77 | 148.1 Ų | 148.1 | 79% | 0.794 | 84% | 0.843 | S | S | * | * | cis | -154.6 | -165.5 | 4.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 461 | P | 56.4 | Low | 40.8 | Very low | 119 Ų | 119 | 150.7 Ų | 150.7 | 77% | 0.773 | 84% | 0.841 | S | S | * | * | trans | -117.2 | 151.5 | -150.8 | 39.5 | -32.7 | 0 | 0 | 0 | 118.1 | ||||
| 462 | R | 35 | Very low | 40.5 | Very low | 252 Ų | 252 | 148.3 Ų | 148.3 | 95% | 0.951 | 83% | 0.828 | S | S | * | * | trans | 174 | 155.8 | 134.5 | -101.4 | 171.8 | 166.3 | 116.8 | -2.6 | 114.9 | ||||
| 463 | G | 31.8 | Very low | 40 | Very low | 66 Ų | 66 | 146.8 Ų | 146.8 | 68% | 0.68 | 82% | 0.822 | S | S | * | * | trans | 87.9 | 131.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 464 | I | 39.1 | Very low | 39.4 | Very low | 166 Ų | 166 | 142 Ų | 142 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | cis | 57.7 | 109.8 | 18.9 | -44 | 179.2 | 0 | 0 | 0 | 110.4 | ||||
| 465 | V | 36.1 | Very low | 39 | Very low | 143 Ų | 143 | 139.6 Ų | 139.6 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | -139.9 | 166.1 | 50.2 | -146.1 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 466 | G | 33.1 | Very low | 38.7 | Very low | 61 Ų | 61 | 144.2 Ų | 144.2 | 63% | 0.629 | 81% | 0.812 | S | S | * | * | trans | -104.5 | -152.8 | 157.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 467 | P | 47.3 | Very low | 38.5 | Very low | 136 Ų | 136 | 135.9 Ų | 135.9 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | cis | -137.6 | -176.4 | -6.7 | 43 | -26.3 | 0 | 0 | 0 | 115 | ||||
| 468 | G | 31 | Very low | 39.5 | Very low | 76 Ų | 76 | 138.7 Ų | 138.7 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | trans | 95.9 | 146.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 469 | M | 39.9 | Very low | 39.5 | Very low | 202 Ų | 202 | 137.8 Ų | 137.8 | 100% | 0.995 | 80% | 0.803 | S | S | * | * | cis | -125 | -173.4 | 16.6 | -69.7 | -173.6 | 167.7 | 0 | 0 | 113.8 | ||||
| 470 | M | 41.7 | Very low | 40.5 | Very low | 179 Ų | 179 | 140.3 Ų | 140.3 | 88% | 0.882 | 80% | 0.804 | S | S | * | * | trans | -139.3 | 164.6 | -171.1 | -168.8 | -179.1 | -171.6 | 0 | 0 | 110.4 | ||||
| 471 | R | 37.2 | Very low | 40.8 | Very low | 206 Ų | 206 | 148.5 Ų | 148.5 | 78% | 0.777 | 81% | 0.811 | S | S | * | * | trans | 87.7 | 147.7 | -170.9 | -59.9 | 172.2 | -179.4 | -114.7 | 8 | 113.2 | ||||
| 472 | E | 41.7 | Very low | 39.8 | Very low | 138 Ų | 138 | 146.7 Ų | 146.7 | 65% | 0.645 | 81% | 0.814 | S | S | * | * | cis | -146.9 | 133.9 | -2.9 | -119.6 | 139.5 | 178.6 | 0 | 0 | 104.7 | ||||
| 473 | R | 36.8 | Very low | 39.7 | Very low | 211 Ų | 211 | 138 Ų | 138 | 80% | 0.796 | 80% | 0.803 | S | S | * | * | 44.1 | 108.9 | 73.4 | -163.3 | 179 | -137.2 | -81.5 | 14.8 | 110.5 | |||||
| 474 | D | 40.2 | Very low | 39.9 | Very low | 138 Ų | 138 | 143.7 Ų | 143.7 | 74% | 0.738 | 81% | 0.814 | S | S | * | * | cis | -125.4 | -177.4 | 27 | -67.9 | -68.1 | 0 | 0 | 0 | 112.2 | ||||
| 475 | G | 34.9 | Very low | 40 | Very low | 63 Ų | 63 | 140.3 Ų | 140.3 | 65% | 0.649 | 81% | 0.811 | S | S | * | * | cis | 148.6 | 132.7 | -11.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 476 | R | 39.1 | Very low | 40.7 | Very low | 261 Ų | 261 | 139.5 Ų | 139.5 | 99% | 0.985 | 81% | 0.808 | S | S | * | * | trans | 75.7 | 153.1 | 177.1 | -55.4 | -178.7 | 178.4 | 178.9 | -0.7 | 116.9 | ||||
| 477 | G | 38.5 | Very low | 41.2 | Very low | 70 Ų | 70 | 145.4 Ų | 145.4 | 72% | 0.722 | 82% | 0.817 | S | S | * | * | trans | -111.4 | -142.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 478 | P | 53.2 | Low | 41.1 | Very low | 124 Ų | 124 | 145.1 Ų | 145.1 | 81% | 0.805 | 82% | 0.815 | S | S | * | * | trans | -91.5 | 158.9 | -141.9 | 35.2 | -39.5 | 0 | 0 | 0 | 116.9 | ||||
| 479 | P | 51.2 | Low | 41.4 | Very low | 122 Ų | 122 | 146.4 Ų | 146.4 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | trans | -81.1 | 165.3 | 163.4 | 35.2 | -34.1 | 0 | 0 | 0 | 112.9 | ||||
| 480 | P | 54.4 | Low | 41.2 | Very low | 137 Ų | 137 | 146 Ų | 146 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | trans | -125.4 | -140.7 | -150.3 | 42.2 | -25.7 | 0 | 0 | 0 | 115.6 | ||||
| 481 | R | 39.3 | Very low | 41 | Very low | 249 Ų | 249 | 140.7 Ų | 140.7 | 94% | 0.94 | 80% | 0.801 | S | S | * | * | trans | -124.9 | 134.8 | -150.9 | 170.5 | -175.4 | 179.2 | 172.5 | 0.3 | 113.4 | ||||
| 482 | G | 33.6 | Very low | 41.7 | Very low | 81 Ų | 81 | 137.5 Ų | 137.5 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | trans | 89.8 | 156.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 483 | G | 34.5 | Very low | 41.3 | Very low | 70 Ų | 70 | 134.8 Ų | 134.8 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | cis | 175.5 | 170.1 | -4.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 484 | M | 36.1 | Very low | 41.2 | Very low | 184 Ų | 184 | 137 Ų | 137 | 91% | 0.906 | 82% | 0.824 | S | S | * | * | trans | 64.7 | 111.4 | 167.9 | -81.4 | 66 | 168.7 | 0 | 0 | 121.7 | ||||
| 485 | A | 39.8 | Very low | 40.8 | Very low | 95 Ų | 95 | 133.8 Ų | 133.8 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | 64.5 | 168 | 126.6 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 486 | P | 51 | Low | 40.7 | Very low | 126 Ų | 126 | 137.3 Ų | 137.3 | 82% | 0.818 | 84% | 0.839 | S | S | * | * | cis | -124.9 | -169.4 | -1.5 | 43.1 | -27.9 | 0 | 0 | 0 | 115.4 | ||||
| 487 | K | 43.5 | Very low | 40.3 | Very low | 185 Ų | 185 | 128.2 Ų | 128.2 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | trans | -78 | 172.8 | 175 | -51.2 | 174.8 | -178.4 | 177.9 | 0 | 112.6 | ||||
| 488 | P | 45.7 | Very low | 40.2 | Very low | 131 Ų | 131 | 128.6 Ų | 128.6 | 85% | 0.851 | 83% | 0.83 | S | S | * | * | -113.3 | 152.5 | 129.1 | 35.1 | -32.4 | 0 | 0 | 0 | 112.4 | |||||
| 489 | S | 37.2 | Very low | 39.3 | Very low | 102 Ų | 102 | 132.3 Ų | 132.3 | 71% | 0.713 | 84% | 0.836 | S | S | * | * | trans | -164.4 | 166.2 | 173.2 | -173.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 490 | M | 36.2 | Very low | 38.6 | Very low | 194 Ų | 194 | 129.6 Ų | 129.6 | 96% | 0.956 | 83% | 0.831 | S | S | * | * | trans | 70.7 | 150.6 | -174.8 | -53.7 | 175.2 | 173.9 | 0 | 0 | 114.4 | ||||
| 491 | G | 37.2 | Very low | 37.8 | Very low | 67 Ų | 67 | 131.2 Ų | 131.2 | 69% | 0.691 | 83% | 0.827 | S | S | * | * | cis | -152.8 | -173.2 | 7.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 492 | P | 52.4 | Low | 37.6 | Very low | 140 Ų | 140 | 125.1 Ų | 125.1 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | trans | -101.8 | 168.6 | -154.6 | 38.6 | -37.7 | 0 | 0 | 0 | 116.6 | ||||
| 493 | G | 31.8 | Very low | 37.7 | Very low | 80 Ų | 80 | 130.4 Ų | 130.4 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | -138.2 | 147.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 494 | R | 34.5 | Very low | 37.9 | Very low | 257 Ų | 257 | 134.2 Ų | 134.2 | 97% | 0.97 | 81% | 0.805 | S | S | * | * | trans | -101.4 | 145.7 | -172 | -73.5 | 172 | 159.7 | -179.1 | -6.9 | 113.6 | ||||
| 495 | G | 32.2 | Very low | 38.4 | Very low | 72 Ų | 72 | 131.3 Ų | 131.3 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | 112.4 | 134.2 | 108.5 | 0 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 496 | S | 32.8 | Very low | 39.5 | Very low | 137 Ų | 137 | 132.5 Ų | 132.5 | 96% | 0.958 | 80% | 0.797 | S | S | * | * | trans | 67.4 | 143.5 | 161.3 | -121.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 497 | G | 32 | Very low | 39 | Very low | 69 Ų | 69 | 135.8 Ų | 135.8 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | cis | 166.1 | 151.1 | -8.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 498 | G | 34.8 | Very low | 38.9 | Very low | 78 Ų | 78 | 138.5 Ų | 138.5 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | 80.3 | 167.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 499 | Q | 36.1 | Very low | 39 | Very low | 202 Ų | 202 | 147.5 Ų | 147.5 | 94% | 0.944 | 82% | 0.823 | S | S | * | * | cis | -166.6 | 152.7 | -16.3 | -148.8 | 171.6 | -2.2 | 0 | 0 | 110.3 | ||||
| 500 | G | 36.2 | Very low | 39.1 | Very low | 66 Ų | 66 | 149.8 Ų | 149.8 | 68% | 0.68 | 83% | 0.829 | S | S | * | * | trans | 84.9 | 128 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 501 | E | 37 | Very low | 39.3 | Very low | 170 Ų | 170 | 147.4 Ų | 147.4 | 79% | 0.794 | 82% | 0.822 | S | S | * | * | cis | 91.6 | 126.8 | 37.2 | -78 | -159.1 | 78.8 | 0 | 0 | 115.9 | ||||
| 502 | N | 35.2 | Very low | 39.4 | Very low | 122 Ų | 122 | 151.9 Ų | 151.9 | 65% | 0.652 | 83% | 0.83 | S | S | * | * | trans | 66.7 | 157.7 | 152 | -67.3 | -45.5 | 0 | 0 | 0 | 119.2 | ||||
| 503 | R | 35.2 | Very low | 38.6 | Very low | 192 Ų | 192 | 152.6 Ų | 152.6 | 73% | 0.725 | 83% | 0.825 | S | S | * | * | cis | -170.3 | 165.4 | -33.6 | -156.9 | 168.5 | 175.2 | 177.4 | 0.3 | 108.1 | ||||
| 504 | F | 38.9 | Very low | 39.1 | Very low | 150 Ų | 150 | 157.1 Ų | 157.1 | 66% | 0.658 | 83% | 0.825 | S | S | * | * | trans | 68.1 | 92 | 161.3 | -70.1 | -64.6 | 0 | 0 | 0 | 121.8 | ||||
| 505 | T | 47.3 | Very low | 39.4 | Very low | 123 Ų | 123 | 150.5 Ų | 150.5 | 76% | 0.755 | 82% | 0.815 | S | S | * | * | 55.6 | -169.6 | 114.6 | 68.7 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 506 | P | 61.4 | Low | 39.9 | Very low | 119 Ų | 119 | 156.1 Ų | 156.1 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | -129.8 | 174.5 | -114 | 34.9 | -12.2 | 0 | 0 | 0 | 115.5 | |||||
| 507 | Q | 40.7 | Very low | 40.4 | Very low | 196 Ų | 196 | 157.5 Ų | 157.5 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | trans | -148.3 | 136.3 | 157.7 | -139.9 | 168.9 | 17.4 | 0 | 0 | 114.3 | ||||
| 508 | R | 41.2 | Very low | 41.1 | Very low | 241 Ų | 241 | 164.9 Ų | 164.9 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | trans | -64 | 147.6 | 165.7 | -76.8 | 172.3 | 153.3 | -168.8 | -6 | 110.6 | ||||
| 509 | R | 49.6 | Very low | 41.7 | Very low | 320 Ų | 320 | 172.8 Ų | 172.8 | 100% | 1.208 | 82% | 0.819 | S | S | * | * | -147.1 | 0 | 112.3 | -132.9 | 178.3 | -172.1 | -164.3 | 1 | 112.6 |
Retrieved 509 of 509 residues in 100.4 ms
(Link to these results)