| 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 | T | 81.3 | Confident | 89.4 | Confident | 159 Ų | 159 | 96.5 Ų | 96.5 | 98% | 0.975 | 53% | 0.525 | S | S | * | . | 0 | 117.3 | 0 | -51.1 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 2 | V | 88.9 | Confident | 89.8 | Confident | 95 Ų | 95 | 92 Ų | 92 | 58% | 0.576 | 50% | 0.497 | S | S | * | . | trans | -90.4 | 146.1 | 173.9 | -68.4 | 0 | 0 | 0 | 0 | 110 | P4 K11 | V2-P4 WeakPolarHBondContact O-CD 3.22Å; V2-K11 HydrophobicContact CG2-CD 4.49Å | ||
| 3 | Y | 91.9 | Very high | 90 | Very high | 83 Ų | 83 | 98.2 Ų | 98.2 | 33% | 0.325 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 99.2 | 178.9 | -68.8 | -88.1 | 0 | 0 | 0 | 109.3 | F12 S14 R15 | Y3-F12 PolarHBondContact N-O 3.45Å; Y3-F12 PolarHBondContact O-N 3.32Å; Y3-S14 VanDerWaalsContact CD2-C 3.48Å; Y3-R15 HydrophobicContact CD1-CB 4.05Å; Y3-R15 HydrophobicContact CD1-CG 4.45Å; Y3-R15 HydrophobicContact CE1-CB 3.83Å; Y3-R15 HydrophobicContact CE1-CG 4.33Å; Y3-R15 HydrophobicContact CE2-CB 4.49Å; Y3-R15 HydrophobicContact CG-CB 4.47Å |
| 4 | P | 92.5 | Very high | 90.3 | Very high | 64 Ų | 64 | 94.1 Ų | 94.1 | 42% | 0.416 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 144.6 | -179.5 | 31.2 | -33.9 | 0 | 0 | 0 | 111.9 | V2 K10 | V2-P4 WeakPolarHBondContact O-CD 3.22Å; P4-K10 CarbonylContact C-O 3.58Å |
| 5 | C | 89.9 | Confident | 90.3 | Very high | 3 Ų | 3 | 100.2 Ų | 100.2 | 2% | 0.02 | 51% | 0.513 | C | S | . | . | trans | -76.3 | 123.7 | 165.3 | 173.8 | 0 | 0 | 0 | 0 | 109.5 | I7 C8 G9 K10 F12 L18 H21 M22 H25 | C5-I7 PolarHBondContact O-N 3.14Å; C5-I7 PolarHBondContact SG-N 3.5Å; C5-C8 PolarHBondContact SG-N 3.42Å; C5-C8 VanDerWaalsContact SG-N 3.36Å; C5-C8 PolarHBondContact SG-SG 2.96Å; C5-G9 WeakPolarHBondContact O-CA 3.33Å; C5-G9 PolarHBondContact O-N 3.13Å; C5-K10 HydrophobicContact CB-CB 4.41Å; C5-K10 WeakPolarHBondContact CB-O 3.37Å; C5-K10 PolarHBondContact N-O 2.81Å; C5-F12 HydrophobicContact CB-CE2 4.21Å; C5-L18 HydrophobicContact CB-CD1 4.05Å; C5-H21 PolarHBondContact SG-NE2 3.41Å; C5-H21 VanDerWaalsContact SG-NE2 3.44Å; C5-M22 HydrophobicContact CB-CE 3.75Å; C5-M22 WeakPolarHBondContact SG-CE 3.34Å; C5-H25 PolarHBondContact SG-NE2 2.82Å; C5-H25 VanDerWaalsContact SG-NE2 3.37Å | ||
| 6 | M | 87.1 | Confident | 90.5 | Very high | 175 Ų | 175 | 97.1 Ų | 97.1 | 86% | 0.862 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -7.9 | 178.9 | -62.2 | -59.6 | -68 | 0 | 0 | 113.7 | ||
| 7 | I | 85.1 | Confident | 90.6 | Very high | 70 Ų | 70 | 96.1 Ų | 96.1 | 36% | 0.359 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -53.4 | -177.1 | -61.1 | 158.2 | 0 | 0 | 0 | 110.9 | C5 M22 H25 E27 | C5-I7 PolarHBondContact O-N 3.14Å; C5-I7 PolarHBondContact SG-N 3.5Å; I7-M22 HydrophobicContact CD1-SD 4.03Å; I7-H25 HydrophobicContact CD1-CB 3.83Å; I7-H25 WeakPolarHBondContact CG2-CE1 3.41Å; I7-H25 VanDerWaalsContact CG2-ND1 3.33Å; I7-H25 WeakPolarHBondContact CG2-ND1 3.47Å; I7-E27 HydrophobicContact CD1-CG 3.59Å; I7-E27 HydrophobicContact CG1-CG 4.15Å; I7-E27 WeakPolarHBondContact CG1-OE2 3.42Å; I7-E27 WeakPolarHBondContact CG2-OE1 3.47Å; I7-E27 WeakPolarHBondContact CG2-OE2 3.33Å |
| 8 | C | 89.6 | Confident | 90.7 | Very high | 68 Ų | 68 | 92.3 Ų | 92.3 | 46% | 0.459 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.9 | 2.9 | -175.7 | 66 | 0 | 0 | 0 | 0 | 113.7 | C5 K10 H21 H25 | C5-C8 PolarHBondContact SG-N 3.42Å; C5-C8 VanDerWaalsContact SG-N 3.36Å; C5-C8 PolarHBondContact SG-SG 2.96Å; C8-K10 PolarHBondContact O-N 3.2Å; C8-K10 VanDerWaalsContact O-N 3.11Å; C8-H21 PolarHBondContact SG-NE2 3.33Å; C8-H21 VanDerWaalsContact SG-NE2 3.38Å; C8-H25 PolarHBondContact SG-NE2 3.34Å |
| 9 | G | 89.8 | Confident | 90.6 | Very high | 48 Ų | 48 | 95.4 Ų | 95.4 | 50% | 0.495 | 49% | 0.493 | S | S | . | . | trans | 74.3 | -4.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | C5 K11 | C5-G9 WeakPolarHBondContact O-CA 3.33Å; C5-G9 PolarHBondContact O-N 3.13Å; G9-K11 PolarHBondContact O-N 3.47Å | ||
| 10 | K | 92.4 | Very high | 90.5 | Very high | 137 Ų | 137 | 98.7 Ų | 98.7 | 60% | 0.596 | 50% | 0.499 | S | S | * | . | trans | -57.4 | 132.4 | 178.3 | -94.2 | -174.6 | 173.9 | 177.8 | 0 | 111.7 | P4 C5 C8 F12 | P4-K10 CarbonylContact C-O 3.58Å; C5-K10 HydrophobicContact CB-CB 4.41Å; C5-K10 WeakPolarHBondContact CB-O 3.37Å; C5-K10 PolarHBondContact N-O 2.81Å; C8-K10 PolarHBondContact O-N 3.2Å; C8-K10 VanDerWaalsContact O-N 3.11Å; K10-F12 HydrophobicContact CB-CE2 3.71Å; K10-F12 HydrophobicContact CB-CZ 3.95Å; K10-F12 HydrophobicContact CD-CZ 4.46Å; K10-F12 WeakPolarHBondContact O-CD2 3.38Å; K10-F12 WeakPolarHBondContact O-CE2 3.49Å | ||
| 11 | K | 94.4 | Very high | 90.6 | Very high | 160 Ų | 160 | 95.6 Ų | 95.6 | 70% | 0.696 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 134 | -179.2 | -61.4 | 177.8 | -176.3 | 176 | 0 | 110.6 | V2 G9 | V2-K11 HydrophobicContact CG2-CD 4.49Å; G9-K11 PolarHBondContact O-N 3.47Å |
| 12 | F | 94 | Very high | 90.8 | Very high | 42 Ų | 42 | 89.8 Ų | 89.8 | 18% | 0.184 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 148.5 | 179.1 | -62.9 | -88.8 | 0 | 0 | 0 | 111.4 | Y3 C5 K10 S14 F17 L18 H21 | Y3-F12 PolarHBondContact N-O 3.45Å; Y3-F12 PolarHBondContact O-N 3.32Å; C5-F12 HydrophobicContact CB-CE2 4.21Å; K10-F12 HydrophobicContact CB-CE2 3.71Å; K10-F12 HydrophobicContact CB-CZ 3.95Å; K10-F12 HydrophobicContact CD-CZ 4.46Å; K10-F12 WeakPolarHBondContact O-CD2 3.38Å; K10-F12 WeakPolarHBondContact O-CE2 3.49Å; F12-S14 VanDerWaalsContact C-N 3.29Å; F12-S14 PolarHBondContact O-N 3.16Å; F12-F17 HydrophobicContact CB-CB 4.18Å; F12-F17 HydrophobicContact CD1-CB 3.89Å; F12-F17 HydrophobicContact CG-CB 4.37Å; F12-L18 HydrophobicContact CB-CB 4.28Å; F12-L18 HydrophobicContact CD2-CB 4.21Å; F12-L18 HydrophobicContact CD2-CD1 3.76Å; F12-L18 HydrophobicContact CE2-CD1 4.11Å; F12-L18 HydrophobicContact CG-CB 4.35Å; F12-H21 HydrophobicContact CE1-CB 3.83Å; F12-H21 HydrophobicContact CE2-CB 4.05Å; F12-H21 AromaticContact CE2-CD2 3.13Å; F12-H21 WeakPolarHBondContact CE2-CD2 3.22Å; F12-H21 AromaticContact CE2-CG 3.66Å; F12-H21 AromaticContact CE2-NE2 3.66Å; F12-H21 HydrophobicContact CZ-CB 3.49Å; F12-H21 VanDerWaalsContact CZ-CB 3.49Å; F12-H21 AromaticContact CZ-CD2 3.18Å; F12-H21 WeakPolarHBondContact CZ-CD2 3.33Å; F12-H21 AromaticContact CZ-CE1 3.98Å; F12-H21 AromaticContact CZ-CG 3.19Å; F12-H21 AromaticContact CZ-ND1 3.71Å; F12-H21 AromaticContact CZ-NE2 3.67Å |
| 13 | K | 92.9 | Very high | 90.6 | Very high | 173 Ų | 173 | 91.6 Ų | 91.6 | 75% | 0.752 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -73.7 | -16 | 178.6 | 65.6 | -178.7 | -179.6 | -178.3 | 0 | 114.4 | F17 | K13-F17 HydrophobicContact CD-CE2 4.31Å; K13-F17 HydrophobicContact CG-CD2 3.81Å; K13-F17 HydrophobicContact CG-CE2 4.05Å |
| 14 | S | 94.5 | Very high | 90.2 | Very high | 40 Ų | 40 | 93.7 Ų | 93.7 | 28% | 0.28 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -150.6 | 157.2 | 177.2 | 85.1 | 0 | 0 | 0 | 0 | 112.5 | Y3 F12 G16 F17 L18 | Y3-S14 VanDerWaalsContact CD2-C 3.48Å; F12-S14 VanDerWaalsContact C-N 3.29Å; F12-S14 PolarHBondContact O-N 3.16Å; S14-G16 PolarHBondContact O-N 3.29Å; S14-G16 PolarHBondContact OG-N 3.42Å; S14-F17 PolarHBondContact O-N 3.28Å; S14-F17 WeakPolarHBondContact OG-CD2 3.36Å; S14-F17 PolarHBondContact OG-N 3.15Å; S14-L18 PolarHBondContact O-N 3.42Å; S14-L18 VanDerWaalsContact O-N 3.13Å |
| 15 | R | 90.3 | Very high | 89.8 | Confident | 186 Ų | 186 | 91.5 Ų | 91.5 | 70% | 0.702 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -60.6 | -31.9 | 174.7 | -167.7 | 174.3 | 179.3 | 146.1 | -0.4 | 112.6 | Y3 L18 K19 | Y3-R15 HydrophobicContact CD1-CB 4.05Å; Y3-R15 HydrophobicContact CD1-CG 4.45Å; Y3-R15 HydrophobicContact CE1-CB 3.83Å; Y3-R15 HydrophobicContact CE1-CG 4.33Å; Y3-R15 HydrophobicContact CE2-CB 4.49Å; Y3-R15 HydrophobicContact CG-CB 4.47Å; R15-L18 PolarHBondContact O-N 3.14Å; R15-K19 WeakPolarHBondContact O-CB 3.38Å; R15-K19 PolarHBondContact O-N 3.46Å |
| 16 | G | 92.7 | Very high | 88.9 | Confident | 51 Ų | 51 | 95.8 Ų | 95.8 | 53% | 0.526 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.6 | -44.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S14 K19 R20 | S14-G16 PolarHBondContact O-N 3.29Å; S14-G16 PolarHBondContact OG-N 3.42Å; G16-K19 PolarHBondContact O-N 3.35Å; G16-R20 PolarHBondContact O-N 3.45Å |
| 17 | F | 93.1 | Very high | 87.9 | Confident | 79 Ų | 79 | 90.8 Ų | 90.8 | 35% | 0.346 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.5 | -42.4 | 175.3 | -70.7 | -65 | 0 | 0 | 0 | 111.8 | F12 K13 S14 K19 R20 H21 | F12-F17 HydrophobicContact CB-CB 4.18Å; F12-F17 HydrophobicContact CD1-CB 3.89Å; F12-F17 HydrophobicContact CG-CB 4.37Å; K13-F17 HydrophobicContact CD-CE2 4.31Å; K13-F17 HydrophobicContact CG-CD2 3.81Å; K13-F17 HydrophobicContact CG-CE2 4.05Å; S14-F17 PolarHBondContact O-N 3.28Å; S14-F17 WeakPolarHBondContact OG-CD2 3.36Å; S14-F17 PolarHBondContact OG-N 3.15Å; F17-K19 VanDerWaalsContact C-N 3.35Å; F17-K19 PolarHBondContact O-N 3.31Å; F17-R20 PolarHBondContact O-N 3Å; F17-H21 WeakPolarHBondContact O-CB 3.23Å; F17-H21 PolarHBondContact O-N 3.42Å |
| 18 | L | 92.9 | Very high | 86.9 | Confident | 29 Ų | 29 | 91 Ų | 91 | 15% | 0.152 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -57.3 | -47.7 | 173.6 | 177.2 | 64.3 | 0 | 0 | 0 | 111 | C5 F12 S14 R15 R20 H21 M22 | C5-L18 HydrophobicContact CB-CD1 4.05Å; F12-L18 HydrophobicContact CB-CB 4.28Å; F12-L18 HydrophobicContact CD2-CB 4.21Å; F12-L18 HydrophobicContact CD2-CD1 3.76Å; F12-L18 HydrophobicContact CE2-CD1 4.11Å; F12-L18 HydrophobicContact CG-CB 4.35Å; S14-L18 PolarHBondContact O-N 3.42Å; S14-L18 VanDerWaalsContact O-N 3.13Å; R15-L18 PolarHBondContact O-N 3.14Å; L18-R20 PolarHBondContact O-N 3.13Å; L18-H21 WeakPolarHBondContact O-CB 3.3Å; L18-H21 PolarHBondContact O-N 3.34Å; L18-H21 VanDerWaalsContact O-N 3.15Å; L18-M22 HydrophobicContact CD1-CE 3.56Å; L18-M22 HydrophobicContact CD1-CG 4.46Å; L18-M22 HydrophobicContact CD1-SD 4.39Å; L18-M22 HydrophobicContact CG-CE 4.5Å; L18-M22 HydrophobicContact CG-CG 4.49Å; L18-M22 WeakPolarHBondContact O-CG 3.29Å; L18-M22 PolarHBondContact O-N 2.98Å |
| 19 | K | 88 | Confident | 85.5 | Confident | 150 Ų | 150 | 92.6 Ų | 92.6 | 65% | 0.652 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -61.2 | -40.3 | 179.6 | -172.7 | 175.8 | -176.5 | 177.9 | 0 | 112.6 | R15 G16 F17 | R15-K19 WeakPolarHBondContact O-CB 3.38Å; R15-K19 PolarHBondContact O-N 3.46Å; G16-K19 PolarHBondContact O-N 3.35Å; F17-K19 VanDerWaalsContact C-N 3.35Å; F17-K19 PolarHBondContact O-N 3.31Å |
| 20 | R | 89.5 | Confident | 84.1 | Confident | 162 Ų | 162 | 92.9 Ų | 92.9 | 61% | 0.611 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -66 | -42.4 | 174.6 | -176.5 | 173.7 | 66.6 | -178.3 | 4.4 | 111.3 | G16 F17 L18 K23 N24 | G16-R20 PolarHBondContact O-N 3.45Å; F17-R20 PolarHBondContact O-N 3Å; L18-R20 PolarHBondContact O-N 3.13Å; R20-K23 WeakPolarHBondContact O-CB 3.46Å; R20-K23 PolarHBondContact O-N 2.88Å; R20-N24 PolarHBondContact O-ND2 3.27Å |
| 21 | H | 91.1 | Very high | 82.5 | Confident | 33 Ų | 33 | 95 Ų | 95 | 15% | 0.153 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -61.6 | -43.1 | 176.7 | 167.1 | 63.9 | 0 | 0 | 0 | 112.3 | C5 C8 F12 F17 L18 K23 N24 H25 | C5-H21 PolarHBondContact SG-NE2 3.41Å; C5-H21 VanDerWaalsContact SG-NE2 3.44Å; C8-H21 PolarHBondContact SG-NE2 3.33Å; C8-H21 VanDerWaalsContact SG-NE2 3.38Å; F12-H21 HydrophobicContact CE1-CB 3.83Å; F12-H21 HydrophobicContact CE2-CB 4.05Å; F12-H21 AromaticContact CE2-CD2 3.13Å; F12-H21 WeakPolarHBondContact CE2-CD2 3.22Å; F12-H21 AromaticContact CE2-CG 3.66Å; F12-H21 AromaticContact CE2-NE2 3.66Å; F12-H21 HydrophobicContact CZ-CB 3.49Å; F12-H21 VanDerWaalsContact CZ-CB 3.49Å; F12-H21 AromaticContact CZ-CD2 3.18Å; F12-H21 WeakPolarHBondContact CZ-CD2 3.33Å; F12-H21 AromaticContact CZ-CE1 3.98Å; F12-H21 AromaticContact CZ-CG 3.19Å; F12-H21 AromaticContact CZ-ND1 3.71Å; F12-H21 AromaticContact CZ-NE2 3.67Å; F17-H21 WeakPolarHBondContact O-CB 3.23Å; F17-H21 PolarHBondContact O-N 3.42Å; L18-H21 WeakPolarHBondContact O-CB 3.3Å; L18-H21 PolarHBondContact O-N 3.34Å; L18-H21 VanDerWaalsContact O-N 3.15Å; H21-K23 PolarHBondContact O-N 3.14Å; H21-K23 VanDerWaalsContact O-N 3.09Å; H21-N24 PolarHBondContact O-N 3.11Å; H21-H25 AromaticContact CD2-NE2 3.88Å; H21-H25 AromaticContact CE1-CD2 3.72Å; H21-H25 AromaticContact CE1-NE2 3.16Å; H21-H25 PolarHBondContact CE1-NE2 3.24Å; H21-H25 AromaticContact NE2-CD2 3.64Å; H21-H25 AromaticContact NE2-NE2 3.02Å; H21-H25 PolarHBondContact NE2-NE2 3.36Å |
| 22 | M | 86.6 | Confident | 80.9 | Confident | 37 Ų | 37 | 92.7 Ų | 92.7 | 18% | 0.182 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -55.3 | -29.1 | 176.9 | -69.3 | -55.7 | 91.5 | 0 | 0 | 113 | C5 I7 L18 N24 H25 H28 | C5-M22 HydrophobicContact CB-CE 3.75Å; C5-M22 WeakPolarHBondContact SG-CE 3.34Å; I7-M22 HydrophobicContact CD1-SD 4.03Å; L18-M22 HydrophobicContact CD1-CE 3.56Å; L18-M22 HydrophobicContact CD1-CG 4.46Å; L18-M22 HydrophobicContact CD1-SD 4.39Å; L18-M22 HydrophobicContact CG-CE 4.5Å; L18-M22 HydrophobicContact CG-CG 4.49Å; L18-M22 WeakPolarHBondContact O-CG 3.29Å; L18-M22 PolarHBondContact O-N 2.98Å; M22-N24 VanDerWaalsContact C-N 3.27Å; M22-N24 PolarHBondContact O-N 3.41Å; M22-H25 WeakPolarHBondContact O-CB 3.36Å; M22-H25 PolarHBondContact O-N 3.21Å; M22-H28 WeakPolarHBondContact O-CB 3.36Å; M22-H28 PolarHBondContact O-CD2 3.12Å; M22-H28 VanDerWaalsContact O-CG 3.23Å |
| 23 | K | 83.9 | Confident | 79.7 | Confident | 134 Ų | 134 | 96.5 Ų | 96.5 | 58% | 0.583 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -23.7 | 177.8 | -64.7 | -179.5 | 179.9 | -177.4 | 0 | 113.8 | R20 H21 H25 | R20-K23 WeakPolarHBondContact O-CB 3.46Å; R20-K23 PolarHBondContact O-N 2.88Å; H21-K23 PolarHBondContact O-N 3.14Å; H21-K23 VanDerWaalsContact O-N 3.09Å; K23-H25 VanDerWaalsContact C-N 3.31Å |
| 24 | N | 83.7 | Confident | 79.1 | Confident | 126 Ų | 126 | 92.7 Ų | 92.7 | 67% | 0.674 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -7.9 | 178.3 | -62 | -69.5 | 0 | 0 | 0 | 112.3 | R20 H21 M22 | R20-N24 PolarHBondContact O-ND2 3.27Å; H21-N24 PolarHBondContact O-N 3.11Å; M22-N24 VanDerWaalsContact C-N 3.27Å; M22-N24 PolarHBondContact O-N 3.41Å |
| 25 | H | 84.6 | Confident | 78.6 | Confident | 19 Ų | 19 | 99.3 Ų | 99.3 | 9% | 0.088 | 47% | 0.465 | C | S | . | . | trans | -74.4 | 129.5 | 178.3 | -93 | -73.5 | 0 | 0 | 0 | 110.8 | C5 I7 C8 H21 M22 K23 E27 H28 L29 | C5-H25 PolarHBondContact SG-NE2 2.82Å; C5-H25 VanDerWaalsContact SG-NE2 3.37Å; I7-H25 HydrophobicContact CD1-CB 3.83Å; I7-H25 WeakPolarHBondContact CG2-CE1 3.41Å; I7-H25 VanDerWaalsContact CG2-ND1 3.33Å; I7-H25 WeakPolarHBondContact CG2-ND1 3.47Å; C8-H25 PolarHBondContact SG-NE2 3.34Å; H21-H25 AromaticContact CD2-NE2 3.88Å; H21-H25 AromaticContact CE1-CD2 3.72Å; H21-H25 AromaticContact CE1-NE2 3.16Å; H21-H25 PolarHBondContact CE1-NE2 3.24Å; H21-H25 AromaticContact NE2-CD2 3.64Å; H21-H25 AromaticContact NE2-NE2 3.02Å; H21-H25 PolarHBondContact NE2-NE2 3.36Å; M22-H25 WeakPolarHBondContact O-CB 3.36Å; M22-H25 PolarHBondContact O-N 3.21Å; K23-H25 VanDerWaalsContact C-N 3.31Å; H25-E27 HydrophobicContact CB-CG 4.46Å; H25-E27 VanDerWaalsContact CB-OE1 3.28Å; H25-E27 WeakPolarHBondContact CB-OE1 3.35Å; H25-E27 IonicContact CG-OE1 3.49Å; H25-E27 IonicContact ND1-OE1 3.1Å; H25-E27 PolarHBondContact ND1-OE1 3.19Å; H25-E27 VanDerWaalsContact ND1-OE1 3.1Å; H25-E27 PolarHBondContact O-N 2.9Å; H25-H28 HydrophobicContact CB-CB 4.22Å; H25-H28 WeakPolarHBondContact O-CA 3.45Å; H25-H28 WeakPolarHBondContact O-CB 3.28Å; H25-H28 PolarHBondContact O-N 3.38Å; H25-L29 PolarHBondContact O-N 3.39Å; H25-L29 VanDerWaalsContact O-N 3.15Å | ||
| 26 | P | 71.2 | Confident | 78.3 | Confident | 93 Ų | 93 | 90.5 Ų | 90.5 | 60% | 0.604 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -62.5 | -29.7 | 179.9 | 24.2 | -32.1 | 0 | 0 | 0 | 112.5 | H28 L29 A30 | P26-H28 VanDerWaalsContact C-N 3.29Å; P26-H28 PolarHBondContact O-N 3.22Å; P26-L29 WeakPolarHBondContact O-CB 2.95Å; P26-L29 PolarHBondContact O-N 2.85Å; P26-A30 PolarHBondContact O-N 3.44Å |
| 27 | E | 65.3 | Low | 77.8 | Confident | 70 Ų | 70 | 94 Ų | 94 | 33% | 0.327 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -71.8 | -23.8 | 172.5 | 66.2 | -104.4 | 89.3 | 0 | 0 | 113.2 | I7 H25 L29 A30 K31 | I7-E27 HydrophobicContact CD1-CG 3.59Å; I7-E27 HydrophobicContact CG1-CG 4.15Å; I7-E27 WeakPolarHBondContact CG1-OE2 3.42Å; I7-E27 WeakPolarHBondContact CG2-OE1 3.47Å; I7-E27 WeakPolarHBondContact CG2-OE2 3.33Å; H25-E27 HydrophobicContact CB-CG 4.46Å; H25-E27 VanDerWaalsContact CB-OE1 3.28Å; H25-E27 WeakPolarHBondContact CB-OE1 3.35Å; H25-E27 IonicContact CG-OE1 3.49Å; H25-E27 IonicContact ND1-OE1 3.1Å; H25-E27 PolarHBondContact ND1-OE1 3.19Å; H25-E27 VanDerWaalsContact ND1-OE1 3.1Å; H25-E27 PolarHBondContact O-N 2.9Å; E27-L29 VanDerWaalsContact C-N 3.33Å; E27-A30 CarbonylContact O-C 3.58Å; E27-A30 PolarHBondContact O-N 3.41Å; E27-K31 WeakPolarHBondContact O-CB 3.33Å; E27-K31 WeakPolarHBondContact O-CG 3.32Å; E27-K31 PolarHBondContact O-N 2.71Å |
| 28 | H | 65.1 | Low | 77.3 | Confident | 73 Ų | 73 | 95.2 Ų | 95.2 | 34% | 0.338 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -76 | -29.6 | 173 | -165.6 | -64.1 | 0 | 0 | 0 | 110.1 | M22 H25 P26 K32 | M22-H28 WeakPolarHBondContact O-CB 3.36Å; M22-H28 PolarHBondContact O-CD2 3.12Å; M22-H28 VanDerWaalsContact O-CG 3.23Å; H25-H28 HydrophobicContact CB-CB 4.22Å; H25-H28 WeakPolarHBondContact O-CA 3.45Å; H25-H28 WeakPolarHBondContact O-CB 3.28Å; H25-H28 PolarHBondContact O-N 3.38Å; P26-H28 VanDerWaalsContact C-N 3.29Å; P26-H28 PolarHBondContact O-N 3.22Å; H28-K32 WeakPolarHBondContact O-CB 3.38Å; H28-K32 PolarHBondContact O-N 3.25Å; H28-K32 VanDerWaalsContact O-N 3.1Å |
| 29 | L | 60.5 | Low | 77 | Confident | 102 Ų | 102 | 96 Ų | 96 | 53% | 0.534 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.7 | -41 | 165.5 | -75.4 | 156.2 | 0 | 0 | 0 | 110.6 | H25 P26 E27 K32 K33 | H25-L29 PolarHBondContact O-N 3.39Å; H25-L29 VanDerWaalsContact O-N 3.15Å; P26-L29 WeakPolarHBondContact O-CB 2.95Å; P26-L29 PolarHBondContact O-N 2.85Å; E27-L29 VanDerWaalsContact C-N 3.33Å; L29-K32 PolarHBondContact O-N 3.39Å; L29-K33 WeakPolarHBondContact O-CG 3.31Å; L29-K33 PolarHBondContact O-N 3.1Å |
| 30 | A | 59.5 | Low | 76.8 | Confident | 54 Ų | 54 | 96 Ų | 96 | 45% | 0.446 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.4 | -40.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | P26 E27 K32 K33 | P26-A30 PolarHBondContact O-N 3.44Å; E27-A30 CarbonylContact O-C 3.58Å; E27-A30 PolarHBondContact O-N 3.41Å; A30-K32 VanDerWaalsContact C-N 3.28Å; A30-K32 PolarHBondContact O-N 3.17Å; A30-K33 VanDerWaalsContact O-CB 3.31Å; A30-K33 WeakPolarHBondContact O-CB 3.43Å; A30-K33 PolarHBondContact O-N 3.43Å |
| 31 | K | 59.1 | Low | 76.5 | Confident | 181 Ų | 181 | 92.8 Ų | 92.8 | 79% | 0.787 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -72.6 | -20.3 | 176.2 | -75.4 | -179.8 | 179.3 | -178.4 | 0 | 113.4 | E27 K33 | E27-K31 WeakPolarHBondContact O-CB 3.33Å; E27-K31 WeakPolarHBondContact O-CG 3.32Å; E27-K31 PolarHBondContact O-N 2.71Å; K31-K33 VanDerWaalsContact C-N 3.29Å |
| 32 | K | 59.8 | Low | 76.2 | Confident | 113 Ų | 113 | 94.3 Ų | 94.3 | 49% | 0.491 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | 5.7 | 175.7 | -153 | 179.1 | -175.6 | -167.7 | 0 | 112.4 | H28 L29 A30 Y34 N44 | H28-K32 WeakPolarHBondContact O-CB 3.38Å; H28-K32 PolarHBondContact O-N 3.25Å; H28-K32 VanDerWaalsContact O-N 3.1Å; L29-K32 PolarHBondContact O-N 3.39Å; A30-K32 VanDerWaalsContact C-N 3.28Å; A30-K32 PolarHBondContact O-N 3.17Å; K32-Y34 PolarHBondContact O-N 3.23Å; K32-N44 VanDerWaalsContact O-CA 3.29Å; K32-N44 WeakPolarHBondContact O-CA 3.14Å |
| 33 | K | 70.2 | Confident | 76 | Confident | 122 Ų | 122 | 93.3 Ų | 93.3 | 53% | 0.53 | 47% | 0.465 | S | S | . | . | trans | -81.4 | 107.3 | 169.1 | -74.1 | 175.8 | -172 | -171.9 | 0 | 108.8 | L29 A30 K31 R35 T42 T43 | L29-K33 WeakPolarHBondContact O-CG 3.31Å; L29-K33 PolarHBondContact O-N 3.1Å; A30-K33 VanDerWaalsContact O-CB 3.31Å; A30-K33 WeakPolarHBondContact O-CB 3.43Å; A30-K33 PolarHBondContact O-N 3.43Å; K31-K33 VanDerWaalsContact C-N 3.29Å; K33-R35 PolarHBondContact O-N 3.45Å; K33-T42 HydrophobicContact CB-CG2 3.46Å; K33-T42 VanDerWaalsContact CB-CG2 3.46Å; K33-T42 HydrophobicContact CD-CG2 3.82Å; K33-T42 HydrophobicContact CG-CG2 3.8Å; K33-T43 CarbonylContact C-O 3.45Å; K33-T43 VanDerWaalsContact CA-O 3.32Å; K33-T43 WeakPolarHBondContact CA-O 3.37Å | ||
| 34 | Y | 79.9 | Confident | 75.9 | Confident | 92 Ų | 92 | 91.5 Ų | 91.5 | 36% | 0.361 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 112.1 | 163.4 | -65.3 | -84.3 | 0 | 0 | 0 | 107.7 | K32 T43 K46 L49 | K32-Y34 PolarHBondContact O-N 3.23Å; Y34-T43 PolarHBondContact N-O 2.95Å; Y34-T43 PolarHBondContact O-N 3.25Å; Y34-K46 HydrophobicContact CD2-CB 4.47Å; Y34-K46 HydrophobicContact CE1-CB 3.97Å; Y34-K46 HydrophobicContact CE1-CD 4.49Å; Y34-K46 HydrophobicContact CE1-CG 4Å; Y34-K46 HydrophobicContact CE2-CB 3.93Å; Y34-K46 VanDerWaalsContact CE2-N 3.35Å; Y34-L49 HydrophobicContact CD1-CD2 4.28Å; Y34-L49 HydrophobicContact CG-CD2 4.39Å |
| 35 | R | 82.9 | Confident | 75.8 | Confident | 179 Ų | 179 | 91.5 Ų | 91.5 | 68% | 0.675 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 138 | 177 | -162 | 176.7 | 85.2 | 170.3 | 3.4 | 109.7 | K33 | K33-R35 PolarHBondContact O-N 3.45Å |
| 36 | C | 84.8 | Confident | 75.7 | Confident | 2 Ų | 2 | 97.7 Ų | 97.7 | 1% | 0.014 | 48% | 0.482 | C | S | . | . | trans | -67.1 | 148.4 | 167.4 | -168.7 | 0 | 0 | 0 | 0 | 110.2 | D38 Y41 L49 H52 | C36-D38 PolarHBondContact SG-N 3.36Å; C36-D38 VanDerWaalsContact SG-N 3.41Å; C36-Y41 WeakPolarHBondContact CB-O 2.99Å; C36-Y41 PolarHBondContact N-O 3.1Å; C36-L49 HydrophobicContact CB-CD1 4.09Å; C36-H52 WeakPolarHBondContact CB-NE2 3.39Å; C36-H52 PolarHBondContact SG-NE2 3.21Å | ||
| 37 | T | 83.2 | Confident | 76.4 | Confident | 125 Ų | 125 | 99.2 Ų | 99.2 | 77% | 0.767 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -87.4 | -26.4 | 174.9 | 38.9 | 0 | 0 | 0 | 0 | 112 | ||
| 38 | D | 82.4 | Confident | 77.6 | Confident | 103 Ų | 103 | 97.8 Ų | 97.8 | 55% | 0.551 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -99.5 | -9.5 | -171 | -55.6 | -98.4 | 0 | 0 | 0 | 112.6 | C36 | C36-D38 PolarHBondContact SG-N 3.36Å; C36-D38 VanDerWaalsContact SG-N 3.41Å |
| 39 | C | 85.9 | Confident | 78.7 | Confident | 47 Ų | 47 | 95.5 Ų | 95.5 | 32% | 0.318 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -158.8 | 177.1 | 172.6 | 70.6 | 0 | 0 | 0 | 0 | 112.3 | Y41 H52 H56 | C39-Y41 PolarHBondContact O-N 3Å; C39-Y41 VanDerWaalsContact O-N 3.14Å; C39-Y41 WeakPolarHBondContact SG-CB 3.19Å; C39-Y41 PolarHBondContact SG-N 3.46Å; C39-Y41 VanDerWaalsContact SG-N 3.45Å; C39-H52 PolarHBondContact SG-CE1 3.31Å; C39-H52 PolarHBondContact SG-NE2 2.95Å; C39-H56 PolarHBondContact SG-NE2 3.44Å |
| 40 | D | 83.4 | Confident | 80 | Confident | 150 Ų | 150 | 95.7 Ų | 95.7 | 80% | 0.802 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -74.9 | 7.5 | 178.2 | -69.4 | -76 | 0 | 0 | 0 | 115 | T42 | D40-T42 PolarHBondContact O-N 3.3Å; D40-T42 PolarHBondContact O-OG1 2.76Å |
| 41 | Y | 83.4 | Confident | 81.5 | Confident | 94 Ų | 94 | 97.7 Ų | 97.7 | 37% | 0.369 | 47% | 0.472 | S | S | . | . | trans | -63.8 | 131.4 | 178.3 | -177.2 | -98.4 | 0 | 0 | 0 | 111.6 | C36 C39 T43 H52 | C36-Y41 WeakPolarHBondContact CB-O 2.99Å; C36-Y41 PolarHBondContact N-O 3.1Å; C39-Y41 PolarHBondContact O-N 3Å; C39-Y41 VanDerWaalsContact O-N 3.14Å; C39-Y41 WeakPolarHBondContact SG-CB 3.19Å; C39-Y41 PolarHBondContact SG-N 3.46Å; C39-Y41 VanDerWaalsContact SG-N 3.45Å; Y41-T43 HydrophobicContact CE1-CG2 3.76Å; Y41-H52 WeakPolarHBondContact CB-CE1 3.34Å; Y41-H52 WeakPolarHBondContact CB-NE2 3.42Å; Y41-H52 HydrophobicContact CD1-CB 4.05Å; Y41-H52 AromaticContact CD1-CD2 3.46Å; Y41-H52 VanDerWaalsContact CD1-CD2 3.46Å; Y41-H52 WeakPolarHBondContact CD1-CD2 3.48Å; Y41-H52 AromaticContact CD1-CE1 3.81Å; Y41-H52 AromaticContact CD1-CG 3.45Å; Y41-H52 VanDerWaalsContact CD1-CG 3.45Å; Y41-H52 AromaticContact CD1-ND1 3.69Å; Y41-H52 AromaticContact CD1-NE2 3.65Å; Y41-H52 HydrophobicContact CE1-CB 3.86Å; Y41-H52 AromaticContact CE1-CG 3.77Å; Y41-H52 AromaticContact CG-CE1 3.55Å; Y41-H52 AromaticContact CG-CG 3.96Å; Y41-H52 AromaticContact CG-ND1 3.7Å; Y41-H52 AromaticContact CG-NE2 3.71Å | ||
| 42 | T | 84.1 | Confident | 82.9 | Confident | 64 Ų | 64 | 90.7 Ų | 90.7 | 39% | 0.393 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 130.1 | -176.8 | -55 | 0 | 0 | 0 | 0 | 110.6 | K33 D40 | K33-T42 HydrophobicContact CB-CG2 3.46Å; K33-T42 VanDerWaalsContact CB-CG2 3.46Å; K33-T42 HydrophobicContact CD-CG2 3.82Å; K33-T42 HydrophobicContact CG-CG2 3.8Å; D40-T42 PolarHBondContact O-N 3.3Å; D40-T42 PolarHBondContact O-OG1 2.76Å |
| 43 | T | 83.8 | Confident | 84.2 | Confident | 17 Ų | 17 | 87.9 Ų | 87.9 | 10% | 0.104 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 152.3 | -177.5 | -176.6 | 0 | 0 | 0 | 0 | 112.9 | K33 Y34 Y41 K45 S48 L49 | K33-T43 CarbonylContact C-O 3.45Å; K33-T43 VanDerWaalsContact CA-O 3.32Å; K33-T43 WeakPolarHBondContact CA-O 3.37Å; Y34-T43 PolarHBondContact N-O 2.95Å; Y34-T43 PolarHBondContact O-N 3.25Å; Y41-T43 HydrophobicContact CE1-CG2 3.76Å; T43-K45 VanDerWaalsContact C-N 3.33Å; T43-K45 WeakPolarHBondContact CG2-O 3.34Å; T43-K45 PolarHBondContact OG1-N 3.28Å; T43-S48 WeakPolarHBondContact OG1-CB 3.35Å; T43-L49 HydrophobicContact CG2-CB 3.79Å |
| 44 | N | 80.3 | Confident | 85.1 | Confident | 95 Ų | 95 | 86.5 Ų | 86.5 | 51% | 0.508 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -88 | 2.1 | 178.5 | 62.5 | 63.6 | 0 | 0 | 0 | 114.4 | K32 | K32-N44 VanDerWaalsContact O-CA 3.29Å; K32-N44 WeakPolarHBondContact O-CA 3.14Å |
| 45 | K | 82.4 | Confident | 85.4 | Confident | 127 Ų | 127 | 85.2 Ų | 85.2 | 55% | 0.552 | 43% | 0.433 | S | S | * | . | trans | -122.8 | 130.5 | -177.7 | -60.8 | -178.8 | -176.1 | 174.9 | 0 | 111.4 | T43 I47 S48 L49 | T43-K45 VanDerWaalsContact C-N 3.33Å; T43-K45 WeakPolarHBondContact CG2-O 3.34Å; T43-K45 PolarHBondContact OG1-N 3.28Å; K45-I47 VanDerWaalsContact C-N 3.33Å; K45-I47 PolarHBondContact O-N 3.3Å; K45-S48 PolarHBondContact O-N 2.89Å; K45-L49 PolarHBondContact O-N 3.43Å | ||
| 46 | K | 82.7 | Confident | 85.5 | Confident | 148 Ų | 148 | 78.5 Ų | 78.5 | 64% | 0.643 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -59.4 | -42.6 | 176.9 | -169.1 | 178.9 | 178.3 | -176.3 | 0 | 112.3 | Y34 S48 L49 H50 | Y34-K46 HydrophobicContact CD2-CB 4.47Å; Y34-K46 HydrophobicContact CE1-CB 3.97Å; Y34-K46 HydrophobicContact CE1-CD 4.49Å; Y34-K46 HydrophobicContact CE1-CG 4Å; Y34-K46 HydrophobicContact CE2-CB 3.93Å; Y34-K46 VanDerWaalsContact CE2-N 3.35Å; K46-S48 VanDerWaalsContact C-N 3.33Å; K46-S48 PolarHBondContact O-N 3.22Å; K46-L49 PolarHBondContact O-N 2.91Å; K46-H50 PolarHBondContact O-N 3.35Å |
| 47 | I | 86.4 | Confident | 85.2 | Confident | 126 Ų | 126 | 85.7 Ų | 85.7 | 65% | 0.646 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -62.5 | -41.6 | 179.8 | -65.4 | 161.3 | 0 | 0 | 0 | 110.8 | K45 L49 H50 N51 | K45-I47 VanDerWaalsContact C-N 3.33Å; K45-I47 PolarHBondContact O-N 3.3Å; I47-L49 VanDerWaalsContact C-N 3.33Å; I47-L49 PolarHBondContact O-N 3.28Å; I47-H50 PolarHBondContact O-N 3.44Å; I47-N51 PolarHBondContact O-N 3.47Å; I47-N51 PolarHBondContact O-OD1 3.12Å |
| 48 | S | 88.6 | Confident | 84.6 | Confident | 40 Ų | 40 | 86.6 Ų | 86.6 | 28% | 0.28 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.7 | -37.3 | 176.9 | -59.3 | 0 | 0 | 0 | 0 | 112.1 | T43 K45 K46 H52 | T43-S48 WeakPolarHBondContact OG1-CB 3.35Å; K45-S48 PolarHBondContact O-N 2.89Å; K46-S48 VanDerWaalsContact C-N 3.33Å; K46-S48 PolarHBondContact O-N 3.22Å; S48-H52 VanDerWaalsContact O-CB 3.23Å; S48-H52 WeakPolarHBondContact O-CB 3.17Å; S48-H52 PolarHBondContact O-N 3.38Å; S48-H52 VanDerWaalsContact O-N 3.12Å |
| 49 | L | 89.1 | Confident | 83.5 | Confident | 25 Ų | 25 | 85.5 Ų | 85.5 | 13% | 0.131 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -66.3 | -43.4 | 173.6 | -179.8 | 67.5 | 0 | 0 | 0 | 110.7 | Y34 C36 T43 K45 K46 I47 H52 L53 | Y34-L49 HydrophobicContact CD1-CD2 4.28Å; Y34-L49 HydrophobicContact CG-CD2 4.39Å; C36-L49 HydrophobicContact CB-CD1 4.09Å; T43-L49 HydrophobicContact CG2-CB 3.79Å; K45-L49 PolarHBondContact O-N 3.43Å; K46-L49 PolarHBondContact O-N 2.91Å; I47-L49 VanDerWaalsContact C-N 3.33Å; I47-L49 PolarHBondContact O-N 3.28Å; L49-H52 WeakPolarHBondContact O-CB 3.43Å; L49-H52 PolarHBondContact O-N 2.78Å; L49-L53 HydrophobicContact CD1-CD1 4.45Å; L49-L53 HydrophobicContact CD1-CG 4.28Å; L49-L53 HydrophobicContact CD2-CD1 4.36Å; L49-L53 HydrophobicContact CG-CD1 4.01Å; L49-L53 HydrophobicContact CG-CG 4.27Å; L49-L53 WeakPolarHBondContact O-CG 3.35Å; L49-L53 PolarHBondContact O-N 3.38Å |
| 50 | H | 88.8 | Confident | 82.2 | Confident | 105 Ų | 105 | 86.3 Ų | 86.3 | 49% | 0.486 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -58.6 | -52.2 | 179.7 | -172.3 | -83.4 | 0 | 0 | 0 | 111.9 | K46 I47 H52 L53 E54 | K46-H50 PolarHBondContact O-N 3.35Å; I47-H50 PolarHBondContact O-N 3.44Å; H50-H52 PolarHBondContact O-N 3.37Å; H50-L53 PolarHBondContact O-N 3.27Å; H50-L53 VanDerWaalsContact O-N 3.12Å; H50-E54 IonicContact CE1-OE2 3.38Å; H50-E54 PolarHBondContact CE1-OE2 3.36Å; H50-E54 IonicContact ND1-OE2 3.22Å; H50-E54 PolarHBondContact ND1-OE2 3.45Å; H50-E54 PolarHBondContact O-N 3.38Å |
| 51 | N | 89.3 | Confident | 80.7 | Confident | 96 Ų | 96 | 87.7 Ų | 87.7 | 51% | 0.513 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.6 | -36.3 | 178.8 | -64.5 | 3.8 | 0 | 0 | 0 | 111.7 | I47 E54 S55 | I47-N51 PolarHBondContact O-N 3.47Å; I47-N51 PolarHBondContact O-OD1 3.12Å; N51-E54 PolarHBondContact O-N 3.46Å; N51-S55 PolarHBondContact O-N 3.15Å; N51-S55 VanDerWaalsContact O-N 3.14Å |
| 52 | H | 89.7 | Confident | 79.1 | Confident | 35 Ų | 35 | 86.5 Ų | 86.5 | 16% | 0.162 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -64.6 | -43.5 | 174.8 | 166.9 | 77.2 | 0 | 0 | 0 | 112.2 | C36 C39 Y41 S48 L49 H50 E54 S55 H56 | C36-H52 WeakPolarHBondContact CB-NE2 3.39Å; C36-H52 PolarHBondContact SG-NE2 3.21Å; C39-H52 PolarHBondContact SG-CE1 3.31Å; C39-H52 PolarHBondContact SG-NE2 2.95Å; Y41-H52 WeakPolarHBondContact CB-CE1 3.34Å; Y41-H52 WeakPolarHBondContact CB-NE2 3.42Å; Y41-H52 HydrophobicContact CD1-CB 4.05Å; Y41-H52 AromaticContact CD1-CD2 3.46Å; Y41-H52 VanDerWaalsContact CD1-CD2 3.46Å; Y41-H52 WeakPolarHBondContact CD1-CD2 3.48Å; Y41-H52 AromaticContact CD1-CE1 3.81Å; Y41-H52 AromaticContact CD1-CG 3.45Å; Y41-H52 VanDerWaalsContact CD1-CG 3.45Å; Y41-H52 AromaticContact CD1-ND1 3.69Å; Y41-H52 AromaticContact CD1-NE2 3.65Å; Y41-H52 HydrophobicContact CE1-CB 3.86Å; Y41-H52 AromaticContact CE1-CG 3.77Å; Y41-H52 AromaticContact CG-CE1 3.55Å; Y41-H52 AromaticContact CG-CG 3.96Å; Y41-H52 AromaticContact CG-ND1 3.7Å; Y41-H52 AromaticContact CG-NE2 3.71Å; S48-H52 VanDerWaalsContact O-CB 3.23Å; S48-H52 WeakPolarHBondContact O-CB 3.17Å; S48-H52 PolarHBondContact O-N 3.38Å; S48-H52 VanDerWaalsContact O-N 3.12Å; L49-H52 WeakPolarHBondContact O-CB 3.43Å; L49-H52 PolarHBondContact O-N 2.78Å; H50-H52 PolarHBondContact O-N 3.37Å; H52-E54 VanDerWaalsContact C-N 3.28Å; H52-E54 PolarHBondContact O-N 3.02Å; H52-S55 VanDerWaalsContact O-CB 3.3Å; H52-S55 WeakPolarHBondContact O-CB 3.18Å; H52-S55 PolarHBondContact O-N 2.89Å; H52-S55 VanDerWaalsContact O-N 3.11Å; H52-H56 AromaticContact CD2-CD2 3.84Å; H52-H56 AromaticContact CD2-NE2 3.96Å; H52-H56 AromaticContact CE1-CD2 3.62Å; H52-H56 AromaticContact CE1-NE2 3.13Å; H52-H56 PolarHBondContact CE1-NE2 3.26Å; H52-H56 AromaticContact NE2-CD2 3.35Å; H52-H56 PolarHBondContact NE2-CD2 3.11Å; H52-H56 VanDerWaalsContact NE2-CD2 3.35Å; H52-H56 AromaticContact NE2-NE2 3Å; H52-H56 PolarHBondContact NE2-NE2 3.09Å; H52-H56 PolarHBondContact O-CD2 3.46Å; H52-H56 PolarHBondContact O-N 2.89Å |
| 53 | L | 87.8 | Confident | 77.4 | Confident | 53 Ų | 53 | 91.2 Ų | 91.2 | 28% | 0.277 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.1 | -32.7 | 174.6 | -68.8 | 171.5 | 0 | 0 | 0 | 112.1 | L49 H50 S55 H56 K57 | L49-L53 HydrophobicContact CD1-CD1 4.45Å; L49-L53 HydrophobicContact CD1-CG 4.28Å; L49-L53 HydrophobicContact CD2-CD1 4.36Å; L49-L53 HydrophobicContact CG-CD1 4.01Å; L49-L53 HydrophobicContact CG-CG 4.27Å; L49-L53 WeakPolarHBondContact O-CG 3.35Å; L49-L53 PolarHBondContact O-N 3.38Å; H50-L53 PolarHBondContact O-N 3.27Å; H50-L53 VanDerWaalsContact O-N 3.12Å; L53-S55 VanDerWaalsContact C-N 3.32Å; L53-H56 WeakPolarHBondContact O-CB 3.39Å; L53-H56 PolarHBondContact O-N 3.49Å; L53-K57 PolarHBondContact O-N 2.87Å |
| 54 | E | 88.8 | Confident | 75.6 | Confident | 93 Ų | 93 | 99.6 Ų | 99.6 | 44% | 0.435 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.3 | -36.9 | 172.4 | -68.9 | -168.5 | 101.5 | 0 | 0 | 112.1 | H50 N51 H52 H56 K57 L58 | H50-E54 IonicContact CE1-OE2 3.38Å; H50-E54 PolarHBondContact CE1-OE2 3.36Å; H50-E54 IonicContact ND1-OE2 3.22Å; H50-E54 PolarHBondContact ND1-OE2 3.45Å; H50-E54 PolarHBondContact O-N 3.38Å; N51-E54 PolarHBondContact O-N 3.46Å; H52-E54 VanDerWaalsContact C-N 3.28Å; H52-E54 PolarHBondContact O-N 3.02Å; E54-H56 VanDerWaalsContact C-N 3.28Å; E54-H56 PolarHBondContact O-N 3.16Å; E54-K57 WeakPolarHBondContact O-CB 3.43Å; E54-K57 PolarHBondContact O-N 3.15Å; E54-K57 VanDerWaalsContact O-N 3.13Å; E54-L58 PolarHBondContact O-N 3.26Å |
| 55 | S | 85.2 | Confident | 74.1 | Confident | 66 Ų | 66 | 99 Ų | 99 | 46% | 0.462 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.6 | -36.5 | 171.8 | -172.2 | 0 | 0 | 0 | 0 | 112.3 | N51 H52 L53 K57 L58 T59 | N51-S55 PolarHBondContact O-N 3.15Å; N51-S55 VanDerWaalsContact O-N 3.14Å; H52-S55 VanDerWaalsContact O-CB 3.3Å; H52-S55 WeakPolarHBondContact O-CB 3.18Å; H52-S55 PolarHBondContact O-N 2.89Å; H52-S55 VanDerWaalsContact O-N 3.11Å; L53-S55 VanDerWaalsContact C-N 3.32Å; S55-K57 VanDerWaalsContact C-N 3.31Å; S55-K57 PolarHBondContact O-N 2.93Å; S55-L58 PolarHBondContact O-N 3.4Å; S55-T59 PolarHBondContact O-N 3.44Å; S55-T59 PolarHBondContact O-OG1 3.34Å |
| 56 | H | 84.5 | Confident | 72.7 | Confident | 37 Ų | 37 | 100 Ų | 100 | 17% | 0.171 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -65.1 | -32.4 | 174.3 | -81.5 | -73.2 | 0 | 0 | 0 | 113.2 | C39 H52 L53 E54 L58 T59 S60 | C39-H56 PolarHBondContact SG-NE2 3.44Å; H52-H56 AromaticContact CD2-CD2 3.84Å; H52-H56 AromaticContact CD2-NE2 3.96Å; H52-H56 AromaticContact CE1-CD2 3.62Å; H52-H56 AromaticContact CE1-NE2 3.13Å; H52-H56 PolarHBondContact CE1-NE2 3.26Å; H52-H56 AromaticContact NE2-CD2 3.35Å; H52-H56 PolarHBondContact NE2-CD2 3.11Å; H52-H56 VanDerWaalsContact NE2-CD2 3.35Å; H52-H56 AromaticContact NE2-NE2 3Å; H52-H56 PolarHBondContact NE2-NE2 3.09Å; H52-H56 PolarHBondContact O-CD2 3.46Å; H52-H56 PolarHBondContact O-N 2.89Å; L53-H56 WeakPolarHBondContact O-CB 3.39Å; L53-H56 PolarHBondContact O-N 3.49Å; E54-H56 VanDerWaalsContact C-N 3.28Å; E54-H56 PolarHBondContact O-N 3.16Å; H56-L58 VanDerWaalsContact C-N 3.31Å; H56-L58 PolarHBondContact O-N 2.96Å; H56-T59 WeakPolarHBondContact CA-OG1 3.13Å; H56-T59 PolarHBondContact O-N 3.34Å; H56-T59 PolarHBondContact O-OG1 2.89Å; H56-S60 WeakPolarHBondContact O-CB 3.05Å; H56-S60 PolarHBondContact O-N 3.33Å; H56-S60 PolarHBondContact O-OG 3.13Å |
| 57 | K | 79.4 | Confident | 70.9 | Confident | 153 Ų | 153 | 105.4 Ų | 105.4 | 67% | 0.665 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -68.4 | -32.5 | 177.1 | -67.1 | 178.6 | -178.3 | -176.8 | 0 | 112.4 | L53 E54 S55 | L53-K57 PolarHBondContact O-N 2.87Å; E54-K57 WeakPolarHBondContact O-CB 3.43Å; E54-K57 PolarHBondContact O-N 3.15Å; E54-K57 VanDerWaalsContact O-N 3.13Å; S55-K57 VanDerWaalsContact C-N 3.31Å; S55-K57 PolarHBondContact O-N 2.93Å |
| 58 | L | 69.6 | Low | 70.1 | Confident | 144 Ų | 144 | 104.4 Ų | 104.4 | 75% | 0.754 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -73.1 | -35.2 | 177 | -62.1 | 173.9 | 0 | 0 | 0 | 111.6 | E54 S55 H56 | E54-L58 PolarHBondContact O-N 3.26Å; S55-L58 PolarHBondContact O-N 3.4Å; H56-L58 VanDerWaalsContact C-N 3.31Å; H56-L58 PolarHBondContact O-N 2.96Å |
| 59 | T | 61.1 | Low | 69.1 | Low | 81 Ų | 81 | 107.8 Ų | 107.8 | 50% | 0.497 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -85.3 | -34.8 | 178.9 | 55.9 | 0 | 0 | 0 | 0 | 113.6 | S55 H56 K61 A62 | S55-T59 PolarHBondContact O-N 3.44Å; S55-T59 PolarHBondContact O-OG1 3.34Å; H56-T59 WeakPolarHBondContact CA-OG1 3.13Å; H56-T59 PolarHBondContact O-N 3.34Å; H56-T59 PolarHBondContact O-OG1 2.89Å; T59-K61 PolarHBondContact O-N 3.05Å; T59-K61 VanDerWaalsContact O-N 3.14Å; T59-A62 WeakPolarHBondContact O-CB 3.49Å; T59-A62 PolarHBondContact O-N 3.28Å |
| 60 | S | 56.8 | Low | 68 | Low | 63 Ų | 63 | 112.4 Ų | 112.4 | 44% | 0.441 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.3 | -18.9 | 179 | -65 | 0 | 0 | 0 | 0 | 113.5 | H56 A62 K64 | H56-S60 WeakPolarHBondContact O-CB 3.05Å; H56-S60 PolarHBondContact O-N 3.33Å; H56-S60 PolarHBondContact O-OG 3.13Å; S60-A62 PolarHBondContact O-N 3.39Å; S60-K64 PolarHBondContact O-N 3.45Å |
| 61 | K | 53.2 | Low | 66.8 | Low | 179 Ų | 179 | 112.8 Ų | 112.8 | 78% | 0.778 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -71.4 | -18.1 | 173.5 | -155.4 | 175.1 | -178.2 | 179.5 | 0 | 112.6 | T59 | T59-K61 PolarHBondContact O-N 3.05Å; T59-K61 VanDerWaalsContact O-N 3.14Å |
| 62 | A | 48.8 | Very low | 65.4 | Low | 69 Ų | 69 | 113.9 Ų | 113.9 | 57% | 0.57 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -87.2 | -32.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | T59 S60 | T59-A62 WeakPolarHBondContact O-CB 3.49Å; T59-A62 PolarHBondContact O-N 3.28Å; S60-A62 PolarHBondContact O-N 3.39Å |
| 63 | E | 48.4 | Very low | 63.8 | Low | 163 Ų | 163 | 119.1 Ų | 119.1 | 76% | 0.762 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -80.9 | -21.8 | 178.6 | -73.8 | -127.5 | 102.7 | 0 | 0 | 113.5 | A65 | E63-A65 PolarHBondContact O-N 3.32Å |
| 64 | K | 47.1 | Very low | 62.1 | Low | 194 Ų | 194 | 123.9 Ų | 123.9 | 84% | 0.843 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | 6.2 | 176.5 | -136.1 | -171.7 | -174.5 | -154.8 | 0 | 114.5 | S60 | S60-K64 PolarHBondContact O-N 3.45Š|
| 65 | A | 48.9 | Very low | 60 | Low | 82 Ų | 82 | 126.2 Ų | 126.2 | 68% | 0.678 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | 8.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E63 | E63-A65 PolarHBondContact O-N 3.32Š|
| 66 | I | 53.1 | Low | 57.9 | Low | 149 Ų | 149 | 131.3 Ų | 131.3 | 76% | 0.764 | 68% | 0.679 | S | S | * | * | trans | -117.3 | 59.7 | 172 | -45.1 | 177.3 | 0 | 0 | 0 | 108.3 | ||||
| 67 | E | 44.1 | Very low | 55.5 | Low | 261 Ų | 261 | 139.8 Ų | 139.8 | 100% | 1.22 | 73% | 0.725 | S | S | * | * | trans | -143.6 | 0 | 151.2 | -166.4 | 172.7 | 79.7 | 0 | 0 | 108.2 |
Retrieved 67 of 67 residues in 190.7 ms
(Link to these results)