| 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 | 71.2 | Confident | 82.9 | Confident | 216 Ų | 216 | 111 Ų | 111 | 100% | 1.064 | 57% | 0.572 | S | S | * | * | 0 | -49.8 | 0 | -119.3 | 170.1 | 161.8 | 0 | 0 | 112.6 | |||||
| 2 | Y | 76.4 | Confident | 83 | Confident | 196 Ų | 196 | 106.4 Ų | 106.4 | 77% | 0.769 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.7 | -50.6 | 180 | -166.4 | -96.5 | 0 | 0 | 0 | 116.5 | A4 A5 V6 | Y2-A4 VanDerWaalsContact C-N 3.29Å; Y2-A4 PolarHBondContact O-N 3.44Å; Y2-A5 PolarHBondContact O-N 2.84Å; Y2-V6 HydrophobicContact CD1-CG2 4.45Å; Y2-V6 HydrophobicContact CE1-CG2 4.18Å; Y2-V6 WeakPolarHBondContact O-CG2 3.47Å; Y2-V6 PolarHBondContact O-N 2.86Å |
| 3 | P | 85.8 | Confident | 82.9 | Confident | 86 Ų | 86 | 104 Ų | 104 | 56% | 0.558 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -68.8 | -28.5 | -175.9 | 26.3 | -35.1 | 0 | 0 | 0 | 113.1 | V6 I7 | P3-V6 PolarHBondContact O-N 2.92Å; P3-I7 VanDerWaalsContact O-CG1 3.3Å; P3-I7 WeakPolarHBondContact O-CG1 3.33Å; P3-I7 PolarHBondContact O-N 3.3Å; P3-I7 VanDerWaalsContact O-N 3.09Å |
| 4 | A | 84.9 | Confident | 82.7 | Confident | 60 Ų | 60 | 100.2 Ų | 100.2 | 50% | 0.496 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.6 | -45.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y2 V6 I7 E8 | Y2-A4 VanDerWaalsContact C-N 3.29Å; Y2-A4 PolarHBondContact O-N 3.44Å; A4-V6 VanDerWaalsContact C-N 3.29Å; A4-V6 PolarHBondContact O-N 3.15Å; A4-I7 PolarHBondContact O-N 3.42Å; A4-E8 WeakPolarHBondContact O-CB 3.31Å; A4-E8 PolarHBondContact O-N 2.91Å |
| 5 | A | 84.9 | Confident | 82.5 | Confident | 59 Ų | 59 | 101.7 Ų | 101.7 | 49% | 0.488 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.6 | -36.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y2 Y9 | Y2-A5 PolarHBondContact O-N 2.84Å; A5-Y9 WeakPolarHBondContact O-CB 3.4Å; A5-Y9 PolarHBondContact O-N 3.06Å |
| 6 | V | 87 | Confident | 82.3 | Confident | 58 Ų | 58 | 102.6 Ų | 102.6 | 35% | 0.352 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.5 | -44.8 | 177.1 | 175.3 | 0 | 0 | 0 | 0 | 110.9 | Y2 P3 A4 Y9 F10 | Y2-V6 HydrophobicContact CD1-CG2 4.45Å; Y2-V6 HydrophobicContact CE1-CG2 4.18Å; Y2-V6 WeakPolarHBondContact O-CG2 3.47Å; Y2-V6 PolarHBondContact O-N 2.86Å; P3-V6 PolarHBondContact O-N 2.92Å; A4-V6 VanDerWaalsContact C-N 3.29Å; A4-V6 PolarHBondContact O-N 3.15Å; V6-Y9 PolarHBondContact O-N 3.13Å; V6-F10 HydrophobicContact CG1-CD2 3.78Å; V6-F10 HydrophobicContact CG1-CE2 3.36Å; V6-F10 HydrophobicContact CG1-CZ 4.4Å; V6-F10 WeakPolarHBondContact O-CD2 3.4Å; V6-F10 PolarHBondContact O-N 3.41Å; V6-F10 VanDerWaalsContact O-N 3.14Å |
| 7 | I | 86.5 | Confident | 81.9 | Confident | 109 Ų | 109 | 99.6 Ų | 99.6 | 56% | 0.559 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.3 | -44.7 | 177.1 | -67.7 | 168 | 0 | 0 | 0 | 110.5 | P3 A4 Y9 F10 T11 | P3-I7 VanDerWaalsContact O-CG1 3.3Å; P3-I7 WeakPolarHBondContact O-CG1 3.33Å; P3-I7 PolarHBondContact O-N 3.3Å; P3-I7 VanDerWaalsContact O-N 3.09Å; A4-I7 PolarHBondContact O-N 3.42Å; I7-Y9 VanDerWaalsContact C-N 3.35Å; I7-Y9 PolarHBondContact O-N 2.97Å; I7-F10 PolarHBondContact O-N 3.22Å; I7-T11 HydrophobicContact CG2-CG2 4.24Å; I7-T11 WeakPolarHBondContact O-CG2 3.47Å; I7-T11 PolarHBondContact O-N 2.8Å; I7-T11 PolarHBondContact O-OG1 2.89Å |
| 8 | E | 84.2 | Confident | 81.3 | Confident | 135 Ų | 135 | 95.2 Ų | 95.2 | 63% | 0.631 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -58.4 | -46.4 | 178.5 | -174.4 | 174.9 | -179.7 | 0 | 0 | 111.6 | A4 F10 T11 A12 | A4-E8 WeakPolarHBondContact O-CB 3.31Å; A4-E8 PolarHBondContact O-N 2.91Å; E8-F10 PolarHBondContact O-N 2.87Å; E8-T11 WeakPolarHBondContact CA-OG1 3.37Å; E8-T11 PolarHBondContact O-N 3.41Å; E8-T11 PolarHBondContact O-OG1 2.98Å; E8-A12 WeakPolarHBondContact O-CB 3.37Å; E8-A12 PolarHBondContact O-N 3.42Å |
| 9 | Y | 85 | Confident | 80.6 | Confident | 147 Ų | 147 | 91.3 Ų | 91.3 | 58% | 0.576 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -56.5 | -48.3 | 175 | 173.7 | -98.4 | 0 | 0 | 0 | 112.3 | A5 V6 I7 T11 A12 E13 | A5-Y9 WeakPolarHBondContact O-CB 3.4Å; A5-Y9 PolarHBondContact O-N 3.06Å; V6-Y9 PolarHBondContact O-N 3.13Å; I7-Y9 VanDerWaalsContact C-N 3.35Å; I7-Y9 PolarHBondContact O-N 2.97Å; Y9-T11 PolarHBondContact O-N 3.1Å; Y9-A12 PolarHBondContact O-N 3.33Å; Y9-E13 PolarHBondContact O-N 2.94Å |
| 10 | F | 82.1 | Confident | 80.1 | Confident | 87 Ų | 87 | 88.1 Ų | 88.1 | 38% | 0.382 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.2 | -37.8 | 178 | -71.9 | -55.7 | 0 | 0 | 0 | 112.7 | V6 I7 E8 E13 I14 | V6-F10 HydrophobicContact CG1-CD2 3.78Å; V6-F10 HydrophobicContact CG1-CE2 3.36Å; V6-F10 HydrophobicContact CG1-CZ 4.4Å; V6-F10 WeakPolarHBondContact O-CD2 3.4Å; V6-F10 PolarHBondContact O-N 3.41Å; V6-F10 VanDerWaalsContact O-N 3.14Å; I7-F10 PolarHBondContact O-N 3.22Å; E8-F10 PolarHBondContact O-N 2.87Å; F10-E13 PolarHBondContact O-N 2.91Å; F10-I14 WeakPolarHBondContact O-CD1 2.75Å; F10-I14 VanDerWaalsContact O-CG1 3.29Å; F10-I14 WeakPolarHBondContact O-CG1 3.23Å; F10-I14 PolarHBondContact O-N 3.4Å; F10-I14 VanDerWaalsContact O-N 3.13Å |
| 11 | T | 83.5 | Confident | 79.2 | Confident | 68 Ų | 68 | 87.8 Ų | 87.8 | 42% | 0.417 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.1 | -39.4 | 176.5 | 56.1 | 0 | 0 | 0 | 0 | 112.3 | I7 E8 Y9 I14 L15 | I7-T11 HydrophobicContact CG2-CG2 4.24Å; I7-T11 WeakPolarHBondContact O-CG2 3.47Å; I7-T11 PolarHBondContact O-N 2.8Å; I7-T11 PolarHBondContact O-OG1 2.89Å; E8-T11 WeakPolarHBondContact CA-OG1 3.37Å; E8-T11 PolarHBondContact O-N 3.41Å; E8-T11 PolarHBondContact O-OG1 2.98Å; Y9-T11 PolarHBondContact O-N 3.1Å; T11-I14 PolarHBondContact O-N 3.28Å; T11-L15 WeakPolarHBondContact O-CB 2.93Å; T11-L15 WeakPolarHBondContact O-CG 2.84Å; T11-L15 PolarHBondContact O-N 3.06Å |
| 12 | A | 84.4 | Confident | 78.6 | Confident | 56 Ų | 56 | 79.2 Ų | 79.2 | 46% | 0.463 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65.8 | -42.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | E8 Y9 I14 L15 E16 | E8-A12 WeakPolarHBondContact O-CB 3.37Å; E8-A12 PolarHBondContact O-N 3.42Å; Y9-A12 PolarHBondContact O-N 3.33Å; A12-I14 PolarHBondContact O-N 2.98Å; A12-L15 PolarHBondContact O-N 3.45Å; A12-E16 PolarHBondContact O-N 3.04Å |
| 13 | E | 82.3 | Confident | 78 | Confident | 75 Ų | 75 | 77.9 Ų | 77.9 | 35% | 0.35 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.9 | -45.6 | 177.1 | -172.2 | 64.7 | -162.8 | 0 | 0 | 111.5 | Y9 F10 L15 E16 L17 | Y9-E13 PolarHBondContact O-N 2.94Å; F10-E13 PolarHBondContact O-N 2.91Å; E13-L15 VanDerWaalsContact C-N 3.34Å; E13-L15 PolarHBondContact O-N 2.97Å; E13-E16 PolarHBondContact O-N 3.21Å; E13-L17 HydrophobicContact CG-CD1 4.38Å; E13-L17 WeakPolarHBondContact O-CD1 3.4Å; E13-L17 VanDerWaalsContact O-CG 3.28Å; E13-L17 WeakPolarHBondContact O-CG 3.15Å; E13-L17 PolarHBondContact O-N 2.84Å |
| 14 | I | 79.3 | Confident | 76.9 | Confident | 51 Ų | 51 | 77.1 Ų | 77.1 | 26% | 0.262 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 177 | -68.2 | 166.8 | 0 | 0 | 0 | 111.1 | F10 T11 A12 A18 F35 F39 | F10-I14 WeakPolarHBondContact O-CD1 2.75Å; F10-I14 VanDerWaalsContact O-CG1 3.29Å; F10-I14 WeakPolarHBondContact O-CG1 3.23Å; F10-I14 PolarHBondContact O-N 3.4Å; F10-I14 VanDerWaalsContact O-N 3.13Å; T11-I14 PolarHBondContact O-N 3.28Å; A12-I14 PolarHBondContact O-N 2.98Å; I14-A18 WeakPolarHBondContact O-CB 2.93Å; I14-A18 PolarHBondContact O-N 3.1Å; I14-F35 HydrophobicContact CG2-CE2 3.91Å; I14-F35 HydrophobicContact CG2-CZ 3.87Å; I14-F39 HydrophobicContact CD1-CE2 3.99Å; I14-F39 HydrophobicContact CG1-CD2 4.33Å; I14-F39 HydrophobicContact CG1-CE2 3.94Å; I14-F39 HydrophobicContact CG2-CD2 4.01Å; I14-F39 HydrophobicContact CG2-CE2 4.17Å |
| 15 | L | 80 | Confident | 75.7 | Confident | 122 Ų | 122 | 76.1 Ų | 76.1 | 64% | 0.639 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -67.7 | -39.2 | 179.8 | -81.4 | 165.7 | 0 | 0 | 0 | 112.9 | T11 A12 E13 A18 G19 | T11-L15 WeakPolarHBondContact O-CB 2.93Å; T11-L15 WeakPolarHBondContact O-CG 2.84Å; T11-L15 PolarHBondContact O-N 3.06Å; A12-L15 PolarHBondContact O-N 3.45Å; E13-L15 VanDerWaalsContact C-N 3.34Å; E13-L15 PolarHBondContact O-N 2.97Å; L15-A18 PolarHBondContact O-N 2.87Å; L15-G19 PolarHBondContact O-N 2.94Å |
| 16 | E | 79.2 | Confident | 74.6 | Confident | 116 Ų | 116 | 83.2 Ų | 83.2 | 54% | 0.542 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -66.1 | -43.1 | 177.9 | -178.3 | 55.3 | -150.6 | 0 | 0 | 111.2 | A12 E13 A18 G19 G20 R23 | A12-E16 PolarHBondContact O-N 3.04Å; E13-E16 PolarHBondContact O-N 3.21Å; E16-A18 VanDerWaalsContact C-N 3.33Å; E16-A18 PolarHBondContact O-N 3.35Å; E16-G19 PolarHBondContact O-N 3.33Å; E16-G20 PolarHBondContact O-N 3.05Å; E16-R23 IonicContact OE1-NH2 3.98Å; E16-R23 PolarHBondContact OE1-NH2 3.41Å |
| 17 | L | 75 | Confident | 73.1 | Confident | 53 Ų | 53 | 88.3 Ų | 88.3 | 28% | 0.277 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.4 | -40.9 | 175.7 | -69.1 | 169.4 | 0 | 0 | 0 | 112.1 | E13 | E13-L17 HydrophobicContact CG-CD1 4.38Å; E13-L17 WeakPolarHBondContact O-CD1 3.4Å; E13-L17 VanDerWaalsContact O-CG 3.28Å; E13-L17 WeakPolarHBondContact O-CG 3.15Å; E13-L17 PolarHBondContact O-N 2.84Å |
| 18 | A | 71.2 | Confident | 71.6 | Confident | 19 Ų | 19 | 89.4 Ų | 89.4 | 16% | 0.157 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -65.9 | -48.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I14 L15 E16 G20 K21 V22 F35 | I14-A18 WeakPolarHBondContact O-CB 2.93Å; I14-A18 PolarHBondContact O-N 3.1Å; L15-A18 PolarHBondContact O-N 2.87Å; E16-A18 VanDerWaalsContact C-N 3.33Å; E16-A18 PolarHBondContact O-N 3.35Å; A18-G20 PolarHBondContact O-N 3.26Å; A18-K21 PolarHBondContact O-N 3.49Å; A18-V22 PolarHBondContact O-N 2.82Å; A18-F35 HydrophobicContact CB-CD2 3.5Å; A18-F35 VanDerWaalsContact CB-CD2 3.5Å; A18-F35 HydrophobicContact CB-CE2 3.78Å |
| 19 | G | 67.9 | Low | 70.2 | Confident | 21 Ų | 21 | 87.9 Ų | 87.9 | 22% | 0.216 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -67.8 | -35.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L15 E16 K21 R23 | L15-G19 PolarHBondContact O-N 2.94Å; E16-G19 PolarHBondContact O-N 3.33Å; G19-K21 PolarHBondContact O-N 2.96Å; G19-R23 WeakPolarHBondContact O-CG 3.37Å; G19-R23 PolarHBondContact O-N 3.15Å; G19-R23 PolarHBondContact O-NH1 3.27Å |
| 20 | G | 71.4 | Confident | 68.9 | Low | 28 Ų | 28 | 87 Ų | 87 | 29% | 0.289 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -57.5 | -21.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | E16 A18 A24 | E16-G20 PolarHBondContact O-N 3.05Å; A18-G20 PolarHBondContact O-N 3.26Å; G20-A24 PolarHBondContact O-N 2.83Å |
| 21 | K | 60.4 | Low | 68 | Low | 81 Ų | 81 | 88 Ų | 88 | 35% | 0.352 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -110.2 | -27.7 | -168.9 | -73.6 | -95.9 | -162.2 | -121.9 | 0 | 114.3 | A18 G19 R23 A24 S25 D38 | A18-K21 PolarHBondContact O-N 3.49Å; G19-K21 PolarHBondContact O-N 2.96Å; K21-R23 PolarHBondContact O-N 3.35Å; K21-A24 HydrophobicContact CD-CB 4.37Å; K21-A24 PolarHBondContact O-N 3.33Å; K21-S25 PolarHBondContact O-N 3.31Å; K21-S25 PolarHBondContact O-OG 3.4Å; K21-S25 VanDerWaalsContact O-OG 3.1Å; K21-D38 WeakPolarHBondContact CB-OD2 3.49Å; K21-D38 VanDerWaalsContact CD-CG 3.45Å; K21-D38 WeakPolarHBondContact CD-OD2 3.32Å; K21-D38 WeakPolarHBondContact CE-OD1 3.47Å; K21-D38 VanDerWaalsContact CE-OD2 3.23Å; K21-D38 WeakPolarHBondContact CE-OD2 3.39Å; K21-D38 HydrophobicContact CG-CB 4.15Å; K21-D38 WeakPolarHBondContact CG-OD2 3.19Å; K21-D38 IonicContact NZ-OD1 3.99Å |
| 22 | V | 59.4 | Low | 67.1 | Low | 36 Ų | 36 | 87.9 Ų | 87.9 | 22% | 0.218 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -56.3 | -39.7 | 158.2 | 179.1 | 0 | 0 | 0 | 0 | 110 | A18 S25 D30 | A18-V22 PolarHBondContact O-N 2.82Å; V22-S25 PolarHBondContact O-OG 2.92Å; V22-S25 VanDerWaalsContact O-OG 3.13Å; V22-D30 WeakPolarHBondContact CG2-OD1 3.41Å |
| 23 | R | 64.3 | Low | 66.3 | Low | 169 Ų | 169 | 88 Ų | 88 | 64% | 0.638 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -30.9 | 173.4 | -66.8 | -172 | -62.1 | -99.5 | 10.5 | 113.8 | E16 G19 K21 | E16-R23 IonicContact OE1-NH2 3.98Å; E16-R23 PolarHBondContact OE1-NH2 3.41Å; G19-R23 WeakPolarHBondContact O-CG 3.37Å; G19-R23 PolarHBondContact O-N 3.15Å; G19-R23 PolarHBondContact O-NH1 3.27Å; K21-R23 PolarHBondContact O-N 3.35Å |
| 24 | A | 63 | Low | 65.5 | Low | 70 Ų | 70 | 85.3 Ų | 85.3 | 58% | 0.579 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -25.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | G20 K21 | G20-A24 PolarHBondContact O-N 2.83Å; K21-A24 HydrophobicContact CD-CB 4.37Å; K21-A24 PolarHBondContact O-N 3.33Å |
| 25 | S | 59.5 | Low | 64.9 | Low | 39 Ų | 39 | 87.1 Ų | 87.1 | 27% | 0.273 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -75.6 | 133 | 169.4 | 49.6 | 0 | 0 | 0 | 0 | 109.7 | K21 V22 Y27 | K21-S25 PolarHBondContact O-N 3.31Å; K21-S25 PolarHBondContact O-OG 3.4Å; K21-S25 VanDerWaalsContact O-OG 3.1Å; V22-S25 PolarHBondContact O-OG 2.92Å; V22-S25 VanDerWaalsContact O-OG 3.13Å; S25-Y27 PolarHBondContact O-N 2.91Å; S25-Y27 PolarHBondContact OG-O 2.63Å |
| 26 | K | 61.5 | Low | 64.4 | Low | 207 Ų | 207 | 81.6 Ų | 81.6 | 90% | 0.9 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -60.3 | -9.2 | 168 | -66.4 | -175.6 | 178 | -176.5 | 0 | 113.2 | ||
| 27 | Y | 55.5 | Low | 64 | Low | 166 Ų | 166 | 77.8 Ų | 77.8 | 65% | 0.651 | 42% | 0.416 | S | S | * | . | trans | -91.9 | 115.3 | 172.4 | -57.3 | -73.1 | 0 | 0 | 0 | 108.3 | S25 T29 | S25-Y27 PolarHBondContact O-N 2.91Å; S25-Y27 PolarHBondContact OG-O 2.63Å; Y27-T29 PolarHBondContact O-N 3.17Å | ||
| 28 | V | 54.4 | Low | 63.7 | Low | 132 Ų | 132 | 75.8 Ų | 75.8 | 80% | 0.8 | 41% | 0.406 | S | S | * | . | trans | -67.7 | -9.1 | 176.3 | 175.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 29 | T | 55.1 | Low | 63.5 | Low | 103 Ų | 103 | 75.4 Ų | 75.4 | 63% | 0.632 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -88.3 | 126.4 | -174.1 | -40.5 | 0 | 0 | 0 | 0 | 111.1 | Y27 H31 | Y27-T29 PolarHBondContact O-N 3.17Å; T29-H31 VanDerWaalsContact C-N 3.35Å; T29-H31 PolarHBondContact O-N 3.26Å |
| 30 | D | 58.4 | Low | 63.5 | Low | 129 Ų | 129 | 76.2 Ų | 76.2 | 69% | 0.69 | 40% | 0.402 | S | S | * | . | trans | -53.1 | 90.4 | 172.6 | -60.9 | -43.1 | 0 | 0 | 0 | 111.2 | V22 | V22-D30 WeakPolarHBondContact CG2-OD1 3.41Š| ||
| 31 | H | 62.7 | Low | 63.5 | Low | 108 Ų | 108 | 79.4 Ų | 79.4 | 50% | 0.5 | 41% | 0.407 | S | S | . | . | trans | -87.8 | 126.2 | -179.1 | -126.9 | -27.4 | 0 | 0 | 0 | 109.4 | T29 T33 A34 F35 | T29-H31 VanDerWaalsContact C-N 3.35Å; T29-H31 PolarHBondContact O-N 3.26Å; H31-T33 PolarHBondContact O-N 3.44Å; H31-A34 PolarHBondContact O-N 3.44Å; H31-F35 PolarHBondContact O-N 3.45Å | ||
| 32 | P | 65.3 | Low | 63.9 | Low | 64 Ų | 64 | 75.7 Ų | 75.7 | 42% | 0.416 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -53.4 | -28 | 178.2 | -27.3 | 34.1 | 0 | 0 | 0 | 113.5 | G36 | P32-G36 PolarHBondContact O-N 2.93Å |
| 33 | T | 67.3 | Low | 64.3 | Low | 59 Ų | 59 | 74.8 Ų | 74.8 | 36% | 0.362 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.7 | -46.6 | 175.1 | -51.3 | 0 | 0 | 0 | 0 | 112.8 | H31 G36 I37 A60 | H31-T33 PolarHBondContact O-N 3.44Å; T33-G36 PolarHBondContact O-N 3.45Å; T33-I37 HydrophobicContact CG2-CD1 4.21Å; T33-I37 VanDerWaalsContact O-CG1 3.31Å; T33-I37 WeakPolarHBondContact O-CG1 3.28Å; T33-I37 PolarHBondContact O-N 3.39Å; T33-A60 HydrophobicContact CG2-CB 3.36Å |
| 34 | A | 65 | Low | 64.3 | Low | 19 Ų | 19 | 74.2 Ų | 74.2 | 16% | 0.157 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -69.1 | -46 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | H31 G36 I37 D38 | H31-A34 PolarHBondContact O-N 3.44Å; A34-G36 VanDerWaalsContact C-N 3.35Å; A34-G36 PolarHBondContact O-N 3.25Å; A34-I37 PolarHBondContact O-N 3.02Å; A34-D38 PolarHBondContact O-N 3.27Å; A34-D38 VanDerWaalsContact O-N 3.15Å; A34-D38 VanDerWaalsContact O-OD2 3.08Å |
| 35 | F | 66.6 | Low | 64.2 | Low | 88 Ų | 88 | 76.4 Ų | 76.4 | 39% | 0.386 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -53.7 | -52 | 172.4 | -176.7 | -96 | 0 | 0 | 0 | 111.1 | I14 A18 H31 I37 D38 F39 | I14-F35 HydrophobicContact CG2-CE2 3.91Å; I14-F35 HydrophobicContact CG2-CZ 3.87Å; A18-F35 HydrophobicContact CB-CD2 3.5Å; A18-F35 VanDerWaalsContact CB-CD2 3.5Å; A18-F35 HydrophobicContact CB-CE2 3.78Å; H31-F35 PolarHBondContact O-N 3.45Å; F35-I37 VanDerWaalsContact C-N 3.35Å; F35-I37 PolarHBondContact O-N 3.06Å; F35-D38 PolarHBondContact O-N 2.95Å; F35-F39 HydrophobicContact CD1-CB 4.39Å; F35-F39 HydrophobicContact CE1-CB 4.21Å; F35-F39 HydrophobicContact CE1-CD2 4.19Å; F35-F39 HydrophobicContact CE1-CG 4.15Å; F35-F39 HydrophobicContact CZ-CB 4.45Å; F35-F39 AromaticContact CZ-CD2 3.93Å; F35-F39 HydrophobicContact CZ-CD2 3.93Å; F35-F39 HydrophobicContact CZ-CG 4.32Å; F35-F39 WeakPolarHBondContact O-CA 3.5Å; F35-F39 WeakPolarHBondContact O-CB 3.36Å; F35-F39 PolarHBondContact O-N 3.2Å |
| 36 | G | 70.5 | Confident | 64.2 | Low | 7 Ų | 7 | 76.8 Ų | 76.8 | 7% | 0.072 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -59.1 | -40 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | P32 T33 A34 T40 | P32-G36 PolarHBondContact O-N 2.93Å; T33-G36 PolarHBondContact O-N 3.45Å; A34-G36 VanDerWaalsContact C-N 3.35Å; A34-G36 PolarHBondContact O-N 3.25Å; G36-T40 WeakPolarHBondContact O-CB 3.22Å; G36-T40 PolarHBondContact O-N 2.78Å; G36-T40 PolarHBondContact O-OG1 3.23Å |
| 37 | I | 70.8 | Confident | 64.1 | Low | 35 Ų | 35 | 73.5 Ų | 73.5 | 18% | 0.179 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.7 | -49.1 | 179.2 | -76.7 | 170.6 | 0 | 0 | 0 | 111.2 | T33 A34 F35 T40 K41 A60 L62 | T33-I37 HydrophobicContact CG2-CD1 4.21Å; T33-I37 VanDerWaalsContact O-CG1 3.31Å; T33-I37 WeakPolarHBondContact O-CG1 3.28Å; T33-I37 PolarHBondContact O-N 3.39Å; A34-I37 PolarHBondContact O-N 3.02Å; F35-I37 VanDerWaalsContact C-N 3.35Å; F35-I37 PolarHBondContact O-N 3.06Å; I37-T40 PolarHBondContact O-N 2.74Å; I37-K41 HydrophobicContact CG2-CD 4.3Å; I37-K41 WeakPolarHBondContact O-CG 3.41Å; I37-K41 PolarHBondContact O-N 3.24Å; I37-A60 HydrophobicContact CD1-CB 4.4Å; I37-A60 HydrophobicContact CG1-CB 4.33Å; I37-L62 HydrophobicContact CB-CD2 4.3Å; I37-L62 HydrophobicContact CG1-CD2 4.45Å; I37-L62 HydrophobicContact CG2-CD2 3.69Å |
| 38 | D | 67.5 | Low | 64.3 | Low | 12 Ų | 12 | 70.7 Ų | 70.7 | 6% | 0.064 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -84.3 | -30.9 | -172.9 | -64.3 | -61.1 | 0 | 0 | 0 | 113.1 | K21 A34 F35 T40 K41 G42 | K21-D38 WeakPolarHBondContact CB-OD2 3.49Å; K21-D38 VanDerWaalsContact CD-CG 3.45Å; K21-D38 WeakPolarHBondContact CD-OD2 3.32Å; K21-D38 WeakPolarHBondContact CE-OD1 3.47Å; K21-D38 VanDerWaalsContact CE-OD2 3.23Å; K21-D38 WeakPolarHBondContact CE-OD2 3.39Å; K21-D38 HydrophobicContact CG-CB 4.15Å; K21-D38 WeakPolarHBondContact CG-OD2 3.19Å; K21-D38 IonicContact NZ-OD1 3.99Å; A34-D38 PolarHBondContact O-N 3.27Å; A34-D38 VanDerWaalsContact O-N 3.15Å; A34-D38 VanDerWaalsContact O-OD2 3.08Å; F35-D38 PolarHBondContact O-N 2.95Å; D38-T40 VanDerWaalsContact C-N 3.35Å; D38-K41 PolarHBondContact O-N 3.34Å; D38-K41 IonicContact OD1-NZ 3.26Å; D38-G42 PolarHBondContact O-N 3.43Å |
| 39 | F | 67.7 | Low | 64.4 | Low | 11 Ų | 11 | 67.1 Ų | 67.1 | 5% | 0.048 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -57.8 | -51.3 | 163.5 | -175.2 | -90.8 | 0 | 0 | 0 | 109.3 | I14 F35 K41 G42 L43 Y55 | I14-F39 HydrophobicContact CD1-CE2 3.99Å; I14-F39 HydrophobicContact CG1-CD2 4.33Å; I14-F39 HydrophobicContact CG1-CE2 3.94Å; I14-F39 HydrophobicContact CG2-CD2 4.01Å; I14-F39 HydrophobicContact CG2-CE2 4.17Å; F35-F39 HydrophobicContact CD1-CB 4.39Å; F35-F39 HydrophobicContact CE1-CB 4.21Å; F35-F39 HydrophobicContact CE1-CD2 4.19Å; F35-F39 HydrophobicContact CE1-CG 4.15Å; F35-F39 HydrophobicContact CZ-CB 4.45Å; F35-F39 AromaticContact CZ-CD2 3.93Å; F35-F39 HydrophobicContact CZ-CD2 3.93Å; F35-F39 HydrophobicContact CZ-CG 4.32Å; F35-F39 WeakPolarHBondContact O-CA 3.5Å; F35-F39 WeakPolarHBondContact O-CB 3.36Å; F35-F39 PolarHBondContact O-N 3.2Å; F39-K41 VanDerWaalsContact C-N 3.3Å; F39-K41 PolarHBondContact O-N 3.05Å; F39-G42 PolarHBondContact O-N 3.22Å; F39-L43 HydrophobicContact CD1-CD1 3.71Å; F39-L43 HydrophobicContact CD1-CG 3.83Å; F39-L43 HydrophobicContact CE1-CD1 3Å; F39-L43 HydrophobicContact CE1-CD2 3.87Å; F39-L43 HydrophobicContact CE1-CG 3.41Å; F39-L43 VanDerWaalsContact CE1-CG 3.41Å; F39-L43 HydrophobicContact CE2-CD2 3.94Å; F39-L43 HydrophobicContact CE2-CG 4.3Å; F39-L43 HydrophobicContact CG-CG 4.38Å; F39-L43 HydrophobicContact CZ-CD1 3.56Å; F39-L43 HydrophobicContact CZ-CD2 3.57Å; F39-L43 HydrophobicContact CZ-CG 3.7Å; F39-L43 VanDerWaalsContact O-CB 3.26Å; F39-L43 WeakPolarHBondContact O-CB 3.48Å; F39-L43 WeakPolarHBondContact O-CG 3.29Å; F39-L43 PolarHBondContact O-N 3.49Å; F39-Y55 HydrophobicContact CD1-CD2 4.42Å; F39-Y55 HydrophobicContact CD1-CE1 4.27Å; F39-Y55 AromaticContact CD1-CE2 3.9Å; F39-Y55 HydrophobicContact CD1-CE2 3.9Å; F39-Y55 AromaticContact CD1-CZ 3.89Å; F39-Y55 HydrophobicContact CE1-CD1 4.34Å; F39-Y55 HydrophobicContact CE1-CD2 4.19Å; F39-Y55 AromaticContact CE1-CE1 3.51Å; F39-Y55 HydrophobicContact CE1-CE1 3.51Å; F39-Y55 AromaticContact CE1-CE2 3.31Å; F39-Y55 HydrophobicContact CE1-CE2 3.31Å; F39-Y55 AromaticContact CE1-CZ 2.96Å; F39-Y55 WeakPolarHBondContact CE1-OH 3.36Å; F39-Y55 AromaticContact CZ-CE1 3.8Å; F39-Y55 HydrophobicContact CZ-CE1 3.8Å; F39-Y55 HydrophobicContact CZ-CE2 4.27Å; F39-Y55 AromaticContact CZ-CZ 3.48Å; F39-Y55 VanDerWaalsContact CZ-CZ 3.48Å; F39-Y55 WeakPolarHBondContact CZ-OH 3.31Å |
| 40 | T | 67.4 | Low | 64.4 | Low | 37 Ų | 37 | 67.5 Ų | 67.5 | 23% | 0.227 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.1 | -35.8 | 176 | -56.6 | 0 | 0 | 0 | 0 | 112.9 | G36 I37 D38 R44 L62 | G36-T40 WeakPolarHBondContact O-CB 3.22Å; G36-T40 PolarHBondContact O-N 2.78Å; G36-T40 PolarHBondContact O-OG1 3.23Å; I37-T40 PolarHBondContact O-N 2.74Å; D38-T40 VanDerWaalsContact C-N 3.35Å; T40-R44 WeakPolarHBondContact O-CB 3.5Å; T40-R44 WeakPolarHBondContact O-CG 3.16Å; T40-R44 PolarHBondContact O-N 3.07Å; T40-L62 HydrophobicContact CG2-CD1 3.58Å; T40-L62 HydrophobicContact CG2-CG 4Å |
| 41 | K | 71.3 | Confident | 64.3 | Low | 95 Ų | 95 | 72.6 Ų | 72.6 | 41% | 0.413 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -70.1 | -46 | 175.4 | -75.1 | 172.3 | -175.7 | 176.1 | 0 | 112.5 | I37 D38 F39 L43 R44 T45 L62 | I37-K41 HydrophobicContact CG2-CD 4.3Å; I37-K41 WeakPolarHBondContact O-CG 3.41Å; I37-K41 PolarHBondContact O-N 3.24Å; D38-K41 PolarHBondContact O-N 3.34Å; D38-K41 IonicContact OD1-NZ 3.26Å; F39-K41 VanDerWaalsContact C-N 3.3Å; F39-K41 PolarHBondContact O-N 3.05Å; K41-L43 VanDerWaalsContact C-N 3.32Å; K41-R44 WeakPolarHBondContact O-CA 3.26Å; K41-R44 WeakPolarHBondContact O-CB 3.19Å; K41-R44 PolarHBondContact O-N 2.59Å; K41-T45 PolarHBondContact O-N 2.92Å; K41-T45 PolarHBondContact O-OG1 2.73Å; K41-L62 HydrophobicContact CD-CD2 4.09Å; K41-L62 HydrophobicContact CG-CD1 3.98Å; K41-L62 HydrophobicContact CG-CD2 3.72Å; K41-L62 HydrophobicContact CG-CG 4.48Å |
| 42 | G | 69.6 | Low | 63.9 | Low | 3 Ų | 3 | 78.9 Ų | 78.9 | 3% | 0.031 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.9 | -39.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | D38 F39 R44 T45 V46 | D38-G42 PolarHBondContact O-N 3.43Å; F39-G42 PolarHBondContact O-N 3.22Å; G42-R44 VanDerWaalsContact C-N 3.31Å; G42-R44 PolarHBondContact O-N 2.91Å; G42-T45 VanDerWaalsContact C-OG1 3.28Å; G42-T45 VanDerWaalsContact CA-OG1 3.22Å; G42-T45 WeakPolarHBondContact CA-OG1 3.46Å; G42-T45 CarbonylContact O-C 3.51Å; G42-T45 PolarHBondContact O-N 3.04Å; G42-T45 PolarHBondContact O-OG1 3.48Å; G42-V46 VanDerWaalsContact O-CB 3.31Å; G42-V46 WeakPolarHBondContact O-CB 3.11Å; G42-V46 VanDerWaalsContact O-CG2 3.31Å; G42-V46 WeakPolarHBondContact O-CG2 2.95Å; G42-V46 PolarHBondContact O-N 3.34Å |
| 43 | L | 67.2 | Low | 63.5 | Low | 18 Ų | 18 | 81 Ų | 81 | 9% | 0.094 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -67 | -28.8 | 170.5 | -70.6 | -160.3 | 0 | 0 | 0 | 113.8 | F39 K41 V46 F49 Y55 | F39-L43 HydrophobicContact CD1-CD1 3.71Å; F39-L43 HydrophobicContact CD1-CG 3.83Å; F39-L43 HydrophobicContact CE1-CD1 3Å; F39-L43 HydrophobicContact CE1-CD2 3.87Å; F39-L43 HydrophobicContact CE1-CG 3.41Å; F39-L43 VanDerWaalsContact CE1-CG 3.41Å; F39-L43 HydrophobicContact CE2-CD2 3.94Å; F39-L43 HydrophobicContact CE2-CG 4.3Å; F39-L43 HydrophobicContact CG-CG 4.38Å; F39-L43 HydrophobicContact CZ-CD1 3.56Å; F39-L43 HydrophobicContact CZ-CD2 3.57Å; F39-L43 HydrophobicContact CZ-CG 3.7Å; F39-L43 VanDerWaalsContact O-CB 3.26Å; F39-L43 WeakPolarHBondContact O-CB 3.48Å; F39-L43 WeakPolarHBondContact O-CG 3.29Å; F39-L43 PolarHBondContact O-N 3.49Å; K41-L43 VanDerWaalsContact C-N 3.32Å; L43-V46 CarbonylContact C-O 3.55Å; L43-V46 CarbonylContact O-C 3.15Å; L43-F49 HydrophobicContact CB-CB 3.95Å; L43-F49 HydrophobicContact CD1-CB 3.2Å; L43-F49 HydrophobicContact CD1-CD1 4.35Å; L43-F49 HydrophobicContact CD1-CD2 4.49Å; L43-F49 HydrophobicContact CD1-CG 3.83Å; L43-F49 HydrophobicContact CD2-CB 3.55Å; L43-F49 HydrophobicContact CD2-CD1 4.08Å; L43-F49 HydrophobicContact CD2-CD2 3.12Å; L43-F49 HydrophobicContact CD2-CE2 3.64Å; L43-F49 HydrophobicContact CD2-CG 3.33Å; L43-F49 HydrophobicContact CD2-CZ 4.32Å; L43-F49 HydrophobicContact CG-CB 3.68Å; L43-F49 HydrophobicContact CG-CD2 4.19Å; L43-F49 HydrophobicContact CG-CG 4.03Å; L43-Y55 HydrophobicContact CD1-CE2 4.28Å |
| 44 | R | 63.2 | Low | 63 | Low | 156 Ų | 156 | 85.9 Ų | 85.9 | 59% | 0.589 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -74.6 | -31.1 | 172.1 | -77.2 | 171 | -177.1 | -79.5 | 1.6 | 111.4 | T40 K41 G42 | T40-R44 WeakPolarHBondContact O-CB 3.5Å; T40-R44 WeakPolarHBondContact O-CG 3.16Å; T40-R44 PolarHBondContact O-N 3.07Å; K41-R44 WeakPolarHBondContact O-CA 3.26Å; K41-R44 WeakPolarHBondContact O-CB 3.19Å; K41-R44 PolarHBondContact O-N 2.59Å; G42-R44 VanDerWaalsContact C-N 3.31Å; G42-R44 PolarHBondContact O-N 2.91Å |
| 45 | T | 62.7 | Low | 62.6 | Low | 116 Ų | 116 | 89.3 Ų | 89.3 | 71% | 0.712 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -75.8 | -30.6 | 171.5 | 48.6 | 0 | 0 | 0 | 0 | 112.2 | K41 G42 | K41-T45 PolarHBondContact O-N 2.92Å; K41-T45 PolarHBondContact O-OG1 2.73Å; G42-T45 VanDerWaalsContact C-OG1 3.28Å; G42-T45 VanDerWaalsContact CA-OG1 3.22Å; G42-T45 WeakPolarHBondContact CA-OG1 3.46Å; G42-T45 CarbonylContact O-C 3.51Å; G42-T45 PolarHBondContact O-N 3.04Å; G42-T45 PolarHBondContact O-OG1 3.48Å |
| 46 | V | 59.2 | Low | 61.8 | Low | 48 Ų | 48 | 90.8 Ų | 90.8 | 29% | 0.291 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -104.4 | 83.9 | 175.6 | -177.7 | 0 | 0 | 0 | 0 | 107.2 | G42 L43 V48 | G42-V46 VanDerWaalsContact O-CB 3.31Å; G42-V46 WeakPolarHBondContact O-CB 3.11Å; G42-V46 VanDerWaalsContact O-CG2 3.31Å; G42-V46 WeakPolarHBondContact O-CG2 2.95Å; G42-V46 PolarHBondContact O-N 3.34Å; L43-V46 CarbonylContact C-O 3.55Å; L43-V46 CarbonylContact O-C 3.15Å; V46-V48 HydrophobicContact CG1-CB 4.02Å; V46-V48 HydrophobicContact CG1-CG2 3.57Å; V46-V48 PolarHBondContact O-N 3.49Å |
| 47 | Q | 58.7 | Low | 60.9 | Low | 138 Ų | 138 | 96 Ų | 96 | 65% | 0.645 | 47% | 0.466 | S | S | * | . | G | 310 helix | trans | -39.5 | -9.3 | -177.3 | -164.2 | 88.7 | 66.2 | 0 | 0 | 116.8 | F49 E50 | Q47-F49 PolarHBondContact O-N 3.28Å; Q47-E50 PolarHBondContact NE2-OE1 3.22Å; Q47-E50 PolarHBondContact NE2-OE2 3.13Å |
| 48 | V | 59.2 | Low | 60.2 | Low | 107 Ų | 107 | 97.3 Ų | 97.3 | 65% | 0.648 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -67.9 | -25.7 | -172.7 | -171.5 | 0 | 0 | 0 | 0 | 113.7 | V46 | V46-V48 HydrophobicContact CG1-CB 4.02Å; V46-V48 HydrophobicContact CG1-CG2 3.57Å; V46-V48 PolarHBondContact O-N 3.49Å |
| 49 | F | 57.1 | Low | 59.8 | Low | 56 Ų | 56 | 98.4 Ų | 98.4 | 25% | 0.246 | 50% | 0.502 | C | S | . | . | G | 310 helix | trans | -114.3 | 9.3 | -168.5 | -66.4 | -93.3 | 0 | 0 | 0 | 116 | L43 Q47 R51 | L43-F49 HydrophobicContact CB-CB 3.95Å; L43-F49 HydrophobicContact CD1-CB 3.2Å; L43-F49 HydrophobicContact CD1-CD1 4.35Å; L43-F49 HydrophobicContact CD1-CD2 4.49Å; L43-F49 HydrophobicContact CD1-CG 3.83Å; L43-F49 HydrophobicContact CD2-CB 3.55Å; L43-F49 HydrophobicContact CD2-CD1 4.08Å; L43-F49 HydrophobicContact CD2-CD2 3.12Å; L43-F49 HydrophobicContact CD2-CE2 3.64Å; L43-F49 HydrophobicContact CD2-CG 3.33Å; L43-F49 HydrophobicContact CD2-CZ 4.32Å; L43-F49 HydrophobicContact CG-CB 3.68Å; L43-F49 HydrophobicContact CG-CD2 4.19Å; L43-F49 HydrophobicContact CG-CG 4.03Å; Q47-F49 PolarHBondContact O-N 3.28Å; F49-R51 PolarHBondContact O-N 3.43Å |
| 50 | E | 56.2 | Low | 59.5 | Low | 112 Ų | 112 | 99.3 Ų | 99.3 | 52% | 0.523 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -3 | -171.4 | -67.5 | -168.3 | 140.4 | 0 | 0 | 116 | Q47 | Q47-E50 PolarHBondContact NE2-OE1 3.22Å; Q47-E50 PolarHBondContact NE2-OE2 3.13Å |
| 51 | R | 55.6 | Low | 59.7 | Low | 236 Ų | 236 | 103.8 Ų | 103.8 | 89% | 0.891 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.8 | -5.6 | -162.8 | -110.6 | -172.1 | -154.6 | -133.8 | 6.6 | 119.9 | F49 | F49-R51 PolarHBondContact O-N 3.43Š|
| 52 | R | 53.8 | Low | 59.6 | Low | 239 Ų | 239 | 100.7 Ų | 100.7 | 90% | 0.902 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -155.4 | -2 | -169.7 | -132.3 | -175.2 | -93.9 | -128.8 | 2.6 | 121.4 | ||
| 53 | E | 57.9 | Low | 59.9 | Low | 108 Ų | 108 | 106.4 Ų | 106.4 | 51% | 0.505 | 56% | 0.563 | S | S | . | * | trans | -106 | 101.3 | -177.8 | -67.8 | -172.5 | -163.4 | 0 | 0 | 111.2 | Y55 | E53-Y55 HydrophobicContact CB-CE1 4.1Å; E53-Y55 HydrophobicContact CB-CE2 3.81Å; E53-Y55 VanDerWaalsContact CB-CZ 3.44Å; E53-Y55 WeakPolarHBondContact CB-OH 3.31Å; E53-Y55 WeakPolarHBondContact O-CD2 3.17Å; E53-Y55 WeakPolarHBondContact O-CE2 3.35Å; E53-Y55 PolarHBondContact O-N 2.89Å; E53-Y55 WeakPolarHBondContact OE2-CE1 3.45Å; E53-Y55 PolarHBondContact OE2-OH 2.76Å | ||
| 54 | N | 55.4 | Low | 60.6 | Low | 162 Ų | 162 | 112 Ų | 112 | 87% | 0.866 | 59% | 0.593 | S | S | * | * | trans | -72.8 | 97.4 | 163.6 | -77.5 | -18.2 | 0 | 0 | 0 | 107.8 | S56 | N54-S56 PolarHBondContact O-N 2.68Š| ||
| 55 | Y | 56.8 | Low | 61.7 | Low | 91 Ų | 91 | 110 Ų | 110 | 36% | 0.357 | 59% | 0.593 | S | S | . | * | trans | -63.8 | 100.2 | 172.3 | -62.8 | -73.9 | 0 | 0 | 0 | 109.5 | F39 L43 E53 T57 | F39-Y55 HydrophobicContact CD1-CD2 4.42Å; F39-Y55 HydrophobicContact CD1-CE1 4.27Å; F39-Y55 AromaticContact CD1-CE2 3.9Å; F39-Y55 HydrophobicContact CD1-CE2 3.9Å; F39-Y55 AromaticContact CD1-CZ 3.89Å; F39-Y55 HydrophobicContact CE1-CD1 4.34Å; F39-Y55 HydrophobicContact CE1-CD2 4.19Å; F39-Y55 AromaticContact CE1-CE1 3.51Å; F39-Y55 HydrophobicContact CE1-CE1 3.51Å; F39-Y55 AromaticContact CE1-CE2 3.31Å; F39-Y55 HydrophobicContact CE1-CE2 3.31Å; F39-Y55 AromaticContact CE1-CZ 2.96Å; F39-Y55 WeakPolarHBondContact CE1-OH 3.36Å; F39-Y55 AromaticContact CZ-CE1 3.8Å; F39-Y55 HydrophobicContact CZ-CE1 3.8Å; F39-Y55 HydrophobicContact CZ-CE2 4.27Å; F39-Y55 AromaticContact CZ-CZ 3.48Å; F39-Y55 VanDerWaalsContact CZ-CZ 3.48Å; F39-Y55 WeakPolarHBondContact CZ-OH 3.31Å; L43-Y55 HydrophobicContact CD1-CE2 4.28Å; E53-Y55 HydrophobicContact CB-CE1 4.1Å; E53-Y55 HydrophobicContact CB-CE2 3.81Å; E53-Y55 VanDerWaalsContact CB-CZ 3.44Å; E53-Y55 WeakPolarHBondContact CB-OH 3.31Å; E53-Y55 WeakPolarHBondContact O-CD2 3.17Å; E53-Y55 WeakPolarHBondContact O-CE2 3.35Å; E53-Y55 PolarHBondContact O-N 2.89Å; E53-Y55 WeakPolarHBondContact OE2-CE1 3.45Å; E53-Y55 PolarHBondContact OE2-OH 2.76Å; Y55-T57 PolarHBondContact O-N 3.21Å | ||
| 56 | S | 50.9 | Low | 62.9 | Low | 120 Ų | 120 | 110.3 Ų | 110.3 | 84% | 0.839 | 59% | 0.586 | S | S | * | * | trans | -76.3 | 16 | -167.4 | -149.8 | 0 | 0 | 0 | 0 | 115.1 | N54 | N54-S56 PolarHBondContact O-N 2.68Š| ||
| 57 | T | 50.8 | Low | 64.2 | Low | 117 Ų | 117 | 114 Ų | 114 | 72% | 0.718 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -144.3 | 89.1 | -172.5 | -35.1 | 0 | 0 | 0 | 0 | 111.3 | Y55 G59 | Y55-T57 PolarHBondContact O-N 3.21Å; T57-G59 PolarHBondContact O-N 3.47Å |
| 58 | G | 56.1 | Low | 65.6 | Low | 62 Ų | 62 | 112 Ų | 112 | 64% | 0.639 | 61% | 0.61 | S | S | * | * | trans | 60 | 13.6 | 161.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | A60 | G58-A60 PolarHBondContact O-N 3.42Š| ||
| 59 | G | 58.7 | Low | 66.9 | Low | 34 Ų | 34 | 112.8 Ų | 112.8 | 35% | 0.351 | 61% | 0.61 | S | S | . | * | P | Polyproline II helix | trans | -71.2 | 121 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | T57 | T57-G59 PolarHBondContact O-N 3.47Š|
| 60 | A | 62.1 | Low | 68.3 | Low | 31 Ų | 31 | 114.3 Ų | 114.3 | 26% | 0.256 | 62% | 0.62 | S | S | . | * | P | Polyproline II helix | trans | -73.5 | 136.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | T33 I37 G58 | T33-A60 HydrophobicContact CG2-CB 3.36Å; I37-A60 HydrophobicContact CD1-CB 4.4Å; I37-A60 HydrophobicContact CG1-CB 4.33Å; G58-A60 PolarHBondContact O-N 3.42Å |
| 61 | V | 70.5 | Confident | 69.7 | Low | 131 Ų | 131 | 113.5 Ų | 113.5 | 79% | 0.794 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 144.6 | 168.8 | -176.9 | 0 | 0 | 0 | 0 | 108.6 | P63 | V61-P63 WeakPolarHBondContact O-CD 3.42Š|
| 62 | L | 69.9 | Low | 70.8 | Confident | 30 Ų | 30 | 109.8 Ų | 109.8 | 16% | 0.157 | 61% | 0.614 | C | S | . | * | P | Polyproline II helix | trans | -55.4 | 124.5 | 172.5 | -76.2 | 170.2 | 0 | 0 | 0 | 110.4 | I37 T40 K41 N64 | I37-L62 HydrophobicContact CB-CD2 4.3Å; I37-L62 HydrophobicContact CG1-CD2 4.45Å; I37-L62 HydrophobicContact CG2-CD2 3.69Å; T40-L62 HydrophobicContact CG2-CD1 3.58Å; T40-L62 HydrophobicContact CG2-CG 4Å; K41-L62 HydrophobicContact CD-CD2 4.09Å; K41-L62 HydrophobicContact CG-CD1 3.98Å; K41-L62 HydrophobicContact CG-CD2 3.72Å; K41-L62 HydrophobicContact CG-CG 4.48Å; L62-N64 PolarHBondContact O-N 2.6Å |
| 63 | P | 75.7 | Confident | 71.8 | Confident | 122 Ų | 122 | 108.8 Ų | 108.8 | 79% | 0.792 | 62% | 0.617 | S | S | * | * | trans | -56.5 | 112.5 | 173.9 | -25.1 | 34.5 | 0 | 0 | 0 | 109.8 | V61 | V61-P63 WeakPolarHBondContact O-CD 3.42Š| ||
| 64 | N | 83.1 | Confident | 72.2 | Confident | 136 Ų | 136 | 107.4 Ų | 107.4 | 73% | 0.727 | 63% | 0.631 | S | S | * | * | trans | -145.1 | 114.4 | -179.1 | -178.6 | 65.4 | 0 | 0 | 0 | 109.2 | L62 | L62-N64 PolarHBondContact O-N 2.6Š| ||
| 65 | I | 85.1 | Confident | 72.6 | Confident | 114 Ų | 114 | 105.2 Ų | 105.2 | 59% | 0.585 | 62% | 0.616 | S | S | * | * | trans | -104.9 | 125.3 | 176.9 | -58.3 | 174.5 | 0 | 0 | 0 | 107.1 | L69 L70 | I65-L69 HydrophobicContact CG2-CB 3.87Å; I65-L70 HydrophobicContact CB-CD2 4.34Å; I65-L70 HydrophobicContact CG2-CD2 3.89Å; I65-L70 HydrophobicContact CG2-CG 4.44Å | ||
| 66 | Q | 88.3 | Confident | 72.6 | Confident | 123 Ų | 123 | 111.8 Ų | 111.8 | 58% | 0.575 | 64% | 0.64 | S | S | * | * | trans | -60.7 | 139.8 | 174.8 | -63.4 | -176.4 | 6.3 | 0 | 0 | 109.8 | S68 L69 | Q66-S68 PolarHBondContact O-N 3.44Å; Q66-S68 VanDerWaalsContact O-N 3.1Å; Q66-L69 HydrophobicContact CB-CD1 4.13Å; Q66-L69 HydrophobicContact CB-CG 4.21Å; Q66-L69 WeakPolarHBondContact O-CA 3.41Å; Q66-L69 WeakPolarHBondContact O-CB 3.06Å; Q66-L69 PolarHBondContact O-N 3.46Å | ||
| 67 | V | 86.3 | Confident | 73.1 | Confident | 124 Ų | 124 | 112.9 Ų | 112.9 | 75% | 0.752 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -56.8 | -32 | -176.6 | -177.5 | 0 | 0 | 0 | 0 | 112.2 | L69 L70 | V67-L69 PolarHBondContact O-N 3.01Å; V67-L70 HydrophobicContact CG1-CD1 4.32Å; V67-L70 WeakPolarHBondContact O-CB 3.3Å; V67-L70 PolarHBondContact O-N 3.48Å |
| 68 | S | 88.2 | Confident | 73.5 | Confident | 97 Ų | 97 | 114.4 Ų | 114.4 | 68% | 0.678 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -64.9 | -23.8 | 174.9 | 52.4 | 0 | 0 | 0 | 0 | 114.4 | Q66 | Q66-S68 PolarHBondContact O-N 3.44Å; Q66-S68 VanDerWaalsContact O-N 3.1Å |
| 69 | L | 86.5 | Confident | 73.6 | Confident | 124 Ų | 124 | 117.5 Ų | 117.5 | 65% | 0.649 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -92.6 | -3.9 | 178.4 | -59.8 | 175.7 | 0 | 0 | 0 | 112.4 | I65 Q66 V67 | I65-L69 HydrophobicContact CG2-CB 3.87Å; Q66-L69 HydrophobicContact CB-CD1 4.13Å; Q66-L69 HydrophobicContact CB-CG 4.21Å; Q66-L69 WeakPolarHBondContact O-CA 3.41Å; Q66-L69 WeakPolarHBondContact O-CB 3.06Å; Q66-L69 PolarHBondContact O-N 3.46Å; V67-L69 PolarHBondContact O-N 3.01Å |
| 70 | L | 85.6 | Confident | 73 | Confident | 87 Ų | 87 | 124.6 Ų | 124.6 | 46% | 0.455 | 67% | 0.666 | S | S | . | * | S | Bend | trans | -72.9 | 142.4 | 172.7 | -63.6 | 175.8 | 0 | 0 | 0 | 109.7 | I65 V67 K72 | I65-L70 HydrophobicContact CB-CD2 4.34Å; I65-L70 HydrophobicContact CG2-CD2 3.89Å; I65-L70 HydrophobicContact CG2-CG 4.44Å; V67-L70 HydrophobicContact CG1-CD1 4.32Å; V67-L70 WeakPolarHBondContact O-CB 3.3Å; V67-L70 PolarHBondContact O-N 3.48Å; L70-K72 PolarHBondContact O-N 2.91Å |
| 71 | P | 85.6 | Confident | 72.4 | Confident | 96 Ų | 96 | 132.5 Ų | 132.5 | 62% | 0.623 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 137.5 | 177.9 | 23.9 | -32.5 | 0 | 0 | 0 | 110.3 | E75 | P71-E75 WeakPolarHBondContact CB-O 3.47Š|
| 72 | K | 80.4 | Confident | 71.2 | Confident | 157 Ų | 157 | 136.9 Ų | 136.9 | 68% | 0.683 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 141.9 | 172.2 | -69.7 | -179 | -178.5 | 175.3 | 0 | 108.6 | L70 G74 E75 | L70-K72 PolarHBondContact O-N 2.91Å; K72-G74 PolarHBondContact O-N 3.28Å; K72-E75 PolarHBondContact O-N 3.09Å |
| 73 | K | 72.9 | Confident | 71.2 | Confident | 219 Ų | 219 | 142.2 Ų | 142.2 | 95% | 0.952 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.7 | 106.5 | -179.2 | -171.5 | 176.8 | -178.5 | -179.5 | 0 | 109.7 | ||
| 74 | G | 68.1 | Low | 71 | Confident | 78 Ų | 78 | 143.3 Ų | 143.3 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 118.9 | -20.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | K72 R76 | K72-G74 PolarHBondContact O-N 3.28Å; G74-R76 PolarHBondContact O-N 3.39Å |
| 75 | E | 63 | Low | 70.3 | Confident | 117 Ų | 117 | 143.7 Ų | 143.7 | 55% | 0.547 | 74% | 0.739 | S | S | . | * | trans | -94.9 | 76.8 | -178.8 | -69 | 172.1 | -170.5 | 0 | 0 | 110.7 | P71 K72 N77 | P71-E75 WeakPolarHBondContact CB-O 3.47Å; K72-E75 PolarHBondContact O-N 3.09Å; E75-N77 PolarHBondContact O-N 3.14Å | ||
| 76 | R | 57.1 | Low | 69.4 | Low | 229 Ų | 229 | 145.4 Ų | 145.4 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | trans | -86.2 | 98.3 | 162.8 | -75.3 | -172.2 | -71.4 | 161 | -2.7 | 107.6 | G74 I78 | G74-R76 PolarHBondContact O-N 3.39Å; R76-I78 VanDerWaalsContact C-N 3.3Å; R76-I78 PolarHBondContact O-N 2.74Å | ||
| 77 | N | 61.5 | Low | 68.3 | Low | 142 Ų | 142 | 146.8 Ų | 146.8 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | trans | -61.3 | 96.6 | 167.1 | -74.2 | -39.3 | 0 | 0 | 0 | 108 | E75 V79 | E75-N77 PolarHBondContact O-N 3.14Å; N77-V79 PolarHBondContact O-N 3.43Å | ||
| 78 | I | 58.9 | Low | 67.1 | Low | 150 Ų | 150 | 148.3 Ų | 148.3 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | trans | -67.3 | 94.6 | 165.5 | -55.4 | 172.7 | 0 | 0 | 0 | 104.1 | R76 K80 | R76-I78 VanDerWaalsContact C-N 3.3Å; R76-I78 PolarHBondContact O-N 2.74Å; I78-K80 VanDerWaalsContact C-N 3.28Å; I78-K80 PolarHBondContact O-N 3.46Å | ||
| 79 | V | 58.6 | Low | 65.6 | Low | 126 Ų | 126 | 152 Ų | 152 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | trans | -59.8 | 100.4 | 170.1 | 178.3 | 0 | 0 | 0 | 0 | 105.6 | N77 K81 | N77-V79 PolarHBondContact O-N 3.43Å; V79-K81 PolarHBondContact O-N 3.48Å; V79-K81 VanDerWaalsContact O-N 3.15Å | ||
| 80 | K | 45.2 | Very low | 63.9 | Low | 183 Ų | 183 | 154.2 Ų | 154.2 | 80% | 0.796 | 77% | 0.774 | S | S | * | * | trans | -62.3 | 114.4 | 165.8 | -72.2 | -175.4 | 177.8 | -178.9 | 0 | 105.6 | I78 D82 | I78-K80 VanDerWaalsContact C-N 3.28Å; I78-K80 PolarHBondContact O-N 3.46Å; K80-D82 PolarHBondContact O-N 3.32Å | ||
| 81 | K | 50.5 | Low | 62.1 | Low | 197 Ų | 197 | 159.8 Ų | 159.8 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | trans | -83.5 | 103 | 171.1 | -174.1 | 176.4 | -179.2 | 177 | 0 | 105.8 | V79 | V79-K81 PolarHBondContact O-N 3.48Å; V79-K81 VanDerWaalsContact O-N 3.15Å | ||
| 82 | D | 44 | Very low | 60 | Low | 223 Ų | 223 | 165.5 Ų | 165.5 | 100% | 1.193 | 82% | 0.817 | S | S | * | * | trans | -68.8 | 0 | 159.4 | -66.7 | -32.4 | 0 | 0 | 0 | 109.8 | K80 | K80-D82 PolarHBondContact O-N 3.32Š|
Retrieved 82 of 82 residues in 82.8 ms
(Link to these results)