| 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 | 71.3 | Confident | 81.5 | Confident | 195 Ų | 195 | 118.1 Ų | 118.1 | 96% | 0.961 | 56% | 0.558 | S | S | * | * | 0 | -47.6 | 0 | -158.4 | 167.3 | -142.8 | 0 | 0 | 112.6 | E3 R4 L5 | M1-E3 VanDerWaalsContact C-N 3.35Å; M1-E3 PolarHBondContact O-N 3.29Å; M1-R4 WeakPolarHBondContact O-CB 3.15Å; M1-R4 PolarHBondContact O-N 3.19Å; M1-R4 VanDerWaalsContact O-N 3.08Å; M1-L5 HydrophobicContact CG-CD1 4.49Å; M1-L5 PolarHBondContact O-N 3.06Å | |||
| 2 | K | 79.5 | Confident | 82 | Confident | 191 Ų | 191 | 117.2 Ų | 117.2 | 83% | 0.83 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -49.1 | -47.4 | 178.6 | -173.9 | 176.6 | 178 | -179.3 | 0 | 114.1 | R4 L5 G6 | K2-R4 VanDerWaalsContact C-N 3.3Å; K2-R4 PolarHBondContact O-N 3.33Å; K2-L5 PolarHBondContact O-N 3.29Å; K2-G6 PolarHBondContact O-N 3.34Å |
| 3 | E | 74.7 | Confident | 82.1 | Confident | 160 Ų | 160 | 109 Ų | 109 | 75% | 0.748 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.6 | -30.4 | -179.3 | -64.4 | -176.2 | 167.2 | 0 | 0 | 114 | M1 L5 G6 K55 | M1-E3 VanDerWaalsContact C-N 3.35Å; M1-E3 PolarHBondContact O-N 3.29Å; E3-L5 VanDerWaalsContact C-N 3.32Å; E3-G6 PolarHBondContact O-N 3.06Å; E3-K55 VanDerWaalsContact O-CD 3.26Å; E3-K55 WeakPolarHBondContact O-CD 3.4Å; E3-K55 WeakPolarHBondContact O-CE 3.32Å; E3-K55 PolarHBondContact O-NZ 3.15Å |
| 4 | R | 74.5 | Confident | 82.3 | Confident | 144 Ų | 144 | 102.3 Ų | 102.3 | 54% | 0.543 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.5 | -32.6 | 178.1 | -172 | -179.9 | 117.8 | 132 | 1.3 | 112 | M1 K2 | M1-R4 WeakPolarHBondContact O-CB 3.15Å; M1-R4 PolarHBondContact O-N 3.19Å; M1-R4 VanDerWaalsContact O-N 3.08Å; K2-R4 VanDerWaalsContact C-N 3.3Å; K2-R4 PolarHBondContact O-N 3.33Å |
| 5 | L | 81.7 | Confident | 82.7 | Confident | 131 Ų | 131 | 102.3 Ų | 102.3 | 69% | 0.686 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -94.8 | -7.4 | 179.8 | -59.6 | 177.8 | 0 | 0 | 0 | 112.6 | M1 K2 E3 | M1-L5 HydrophobicContact CG-CD1 4.49Å; M1-L5 PolarHBondContact O-N 3.06Å; K2-L5 PolarHBondContact O-N 3.29Å; E3-L5 VanDerWaalsContact C-N 3.32Å |
| 6 | G | 85.4 | Confident | 83 | Confident | 33 Ų | 33 | 105.1 Ų | 105.1 | 34% | 0.34 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -64 | 147.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | K2 E3 S8 | K2-G6 PolarHBondContact O-N 3.34Å; E3-G6 PolarHBondContact O-N 3.06Å; G6-S8 PolarHBondContact O-N 2.85Å |
| 7 | M | 86 | Confident | 83 | Confident | 108 Ų | 108 | 107.4 Ų | 107.4 | 53% | 0.532 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 130.6 | 175.2 | -62.5 | -168.1 | -60.1 | 0 | 0 | 110.7 | ||
| 8 | S | 87 | Confident | 83 | Confident | 14 Ų | 14 | 106.2 Ų | 106.2 | 10% | 0.098 | 50% | 0.499 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 157.3 | 173.7 | 62.3 | 0 | 0 | 0 | 0 | 111.4 | G6 L10 R11 R12 | G6-S8 PolarHBondContact O-N 2.85Å; S8-L10 PolarHBondContact O-N 3.23Å; S8-R11 PolarHBondContact O-N 3.28Å; S8-R11 VanDerWaalsContact O-N 3.16Å; S8-R11 WeakPolarHBondContact OG-CB 3.41Å; S8-R11 PolarHBondContact OG-N 3.42Å; S8-R12 PolarHBondContact O-N 3.16Å |
| 9 | E | 85 | Confident | 83 | Confident | 107 Ų | 107 | 111.7 Ų | 111.7 | 50% | 0.5 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -57 | -40 | 173.1 | -67.3 | -59.1 | 137.4 | 0 | 0 | 111.7 | R11 R12 S13 P50 | E9-R11 PolarHBondContact O-N 3.01Å; E9-R12 PolarHBondContact O-N 3.13Å; E9-R12 IonicContact OE1-CZ 3.14Å; E9-R12 IonicContact OE1-NH1 2.69Å; E9-R12 PolarHBondContact OE1-NH1 3.46Å; E9-R12 IonicContact OE1-NH2 2.83Å; E9-R12 PolarHBondContact OE1-NH2 3.45Å; E9-R12 IonicContact OE2-CZ 3.63Å; E9-R12 IonicContact OE2-NH1 2.86Å; E9-R12 PolarHBondContact OE2-NH1 3.06Å; E9-S13 PolarHBondContact O-N 3.44Å; E9-P50 HydrophobicContact CB-CB 4.03Å |
| 10 | L | 84.2 | Confident | 82.9 | Confident | 59 Ų | 59 | 109.8 Ų | 109.8 | 31% | 0.309 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -58.4 | -49.6 | 174.8 | -169.7 | 162.6 | 0 | 0 | 0 | 110.9 | S8 R12 S13 A14 L38 P50 A52 | S8-L10 PolarHBondContact O-N 3.23Å; L10-R12 VanDerWaalsContact C-N 3.3Å; L10-R12 PolarHBondContact O-N 3.22Å; L10-S13 PolarHBondContact O-N 3.05Å; L10-S13 VanDerWaalsContact O-N 3.11Å; L10-S13 PolarHBondContact O-OG 2.68Å; L10-A14 PolarHBondContact O-N 3.43Å; L10-L38 HydrophobicContact CD2-CD2 3.87Å; L10-L38 HydrophobicContact CG-CD2 4.06Å; L10-P50 HydrophobicContact CB-CG 4.44Å; L10-A52 HydrophobicContact CD1-CB 4.23Å |
| 11 | R | 87.5 | Confident | 82.8 | Confident | 157 Ų | 157 | 108.5 Ų | 108.5 | 59% | 0.592 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.9 | -38.2 | 177.7 | -168.4 | 171.7 | -171.1 | 172.6 | 2.2 | 112 | S8 E9 S13 A14 N15 | S8-R11 PolarHBondContact O-N 3.28Å; S8-R11 VanDerWaalsContact O-N 3.16Å; S8-R11 WeakPolarHBondContact OG-CB 3.41Å; S8-R11 PolarHBondContact OG-N 3.42Å; E9-R11 PolarHBondContact O-N 3.01Å; R11-S13 VanDerWaalsContact C-N 3.3Å; R11-S13 PolarHBondContact O-N 3.36Å; R11-A14 PolarHBondContact O-N 2.87Å; R11-N15 VanDerWaalsContact O-CG 3.25Å; R11-N15 PolarHBondContact O-N 3.08Å; R11-N15 PolarHBondContact O-OD1 3.13Å |
| 12 | R | 87.2 | Confident | 83.3 | Confident | 107 Ų | 107 | 106.4 Ų | 106.4 | 40% | 0.404 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.3 | -35.5 | 175.3 | -158.2 | -175.5 | -55.7 | 132.9 | 12.7 | 112 | S8 E9 L10 | S8-R12 PolarHBondContact O-N 3.16Å; E9-R12 PolarHBondContact O-N 3.13Å; E9-R12 IonicContact OE1-CZ 3.14Å; E9-R12 IonicContact OE1-NH1 2.69Å; E9-R12 PolarHBondContact OE1-NH1 3.46Å; E9-R12 IonicContact OE1-NH2 2.83Å; E9-R12 PolarHBondContact OE1-NH2 3.45Å; E9-R12 IonicContact OE2-CZ 3.63Å; E9-R12 IonicContact OE2-NH1 2.86Å; E9-R12 PolarHBondContact OE2-NH1 3.06Å; L10-R12 VanDerWaalsContact C-N 3.3Å; L10-R12 PolarHBondContact O-N 3.22Å |
| 13 | S | 83.2 | Confident | 83.2 | Confident | 11 Ų | 11 | 99.9 Ų | 99.9 | 8% | 0.077 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -72.8 | -35.8 | 175.9 | 73.1 | 0 | 0 | 0 | 0 | 113.4 | E9 L10 R11 N15 R16 S37 P50 | E9-S13 PolarHBondContact O-N 3.44Å; L10-S13 PolarHBondContact O-N 3.05Å; L10-S13 VanDerWaalsContact O-N 3.11Å; L10-S13 PolarHBondContact O-OG 2.68Å; R11-S13 VanDerWaalsContact C-N 3.3Å; R11-S13 PolarHBondContact O-N 3.36Å; S13-N15 VanDerWaalsContact C-N 3.35Å; S13-R16 WeakPolarHBondContact O-CB 3.42Å; S13-R16 PolarHBondContact O-N 3.01Å; S13-S37 PolarHBondContact O-OG 3.23Å; S13-P50 VanDerWaalsContact OG-CG 3.27Å; S13-P50 WeakPolarHBondContact OG-CG 3.41Å |
| 14 | A | 85.6 | Confident | 83.3 | Confident | 15 Ų | 15 | 97.6 Ų | 97.6 | 12% | 0.124 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -65.1 | -38.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L10 R11 R16 L35 G36 | L10-A14 PolarHBondContact O-N 3.43Å; R11-A14 PolarHBondContact O-N 2.87Å; A14-R16 PolarHBondContact O-N 3.41Å; A14-R16 VanDerWaalsContact O-N 3.1Å; A14-L35 WeakPolarHBondContact CA-O 3.13Å; A14-L35 HydrophobicContact CB-CD1 4.08Å; A14-G36 WeakPolarHBondContact O-CA 3.26Å |
| 15 | N | 88.2 | Confident | 83.7 | Confident | 102 Ų | 102 | 94.5 Ų | 94.5 | 55% | 0.545 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | 4.1 | 177.6 | -67.5 | 1.5 | 0 | 0 | 0 | 114.5 | R11 S13 I17 | R11-N15 VanDerWaalsContact O-CG 3.25Å; R11-N15 PolarHBondContact O-N 3.08Å; R11-N15 PolarHBondContact O-OD1 3.13Å; S13-N15 VanDerWaalsContact C-N 3.35Å; N15-I17 PolarHBondContact O-N 3.3Å |
| 16 | R | 86.5 | Confident | 83.6 | Confident | 147 Ų | 147 | 90.9 Ų | 90.9 | 56% | 0.555 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -83.3 | 116.3 | 174.6 | -67.5 | 176.9 | -176.2 | -124.3 | 3 | 108.9 | S13 A14 S37 | S13-R16 WeakPolarHBondContact O-CB 3.42Å; S13-R16 PolarHBondContact O-N 3.01Å; A14-R16 PolarHBondContact O-N 3.41Å; A14-R16 VanDerWaalsContact O-N 3.1Å; R16-S37 WeakPolarHBondContact CB-OG 3.29Å; R16-S37 PolarHBondContact O-N 3.17Å |
| 17 | I | 84.2 | Confident | 83.4 | Confident | 144 Ų | 144 | 95.7 Ų | 95.7 | 74% | 0.738 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -89.5 | 129 | 174.3 | -57.7 | 171.3 | 0 | 0 | 0 | 107.9 | N15 | N15-I17 PolarHBondContact O-N 3.3Š|
| 18 | Q | 82.9 | Confident | 83.1 | Confident | 86 Ų | 86 | 99.9 Ų | 99.9 | 40% | 0.402 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -88.2 | 118.3 | 171.6 | -176.4 | 159.3 | -22.8 | 0 | 0 | 108.1 | G20 E21 | Q18-G20 PolarHBondContact O-N 2.82Å; Q18-E21 HydrophobicContact CB-CB 4.41Å; Q18-E21 HydrophobicContact CG-CB 4.32Å; Q18-E21 HydrophobicContact CG-CG 4.16Å; Q18-E21 PolarHBondContact NE2-OE1 2.97Å; Q18-E21 PolarHBondContact NE2-OE2 3.39Å; Q18-E21 VanDerWaalsContact NE2-OE2 3.17Å; Q18-E21 PolarHBondContact O-N 2.85Å; Q18-E21 PolarHBondContact OE1-OE2 3.2Å |
| 19 | F | 82.1 | Confident | 83 | Confident | 211 Ų | 211 | 104.7 Ų | 104.7 | 93% | 0.925 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | 133.6 | 179.8 | -177 | -99.5 | 0 | 0 | 0 | 110 | E21 | F19-E21 VanDerWaalsContact C-N 3.35Š|
| 20 | G | 82.1 | Confident | 82.7 | Confident | 74 Ų | 74 | 103.7 Ų | 103.7 | 76% | 0.763 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.3 | -5.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q18 | Q18-G20 PolarHBondContact O-N 2.82Š|
| 21 | E | 81.1 | Confident | 82.5 | Confident | 82 Ų | 82 | 108.1 Ų | 108.1 | 38% | 0.383 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -107.7 | 129.1 | 173.3 | -70.9 | -176.3 | 179.8 | 0 | 0 | 110.4 | Q18 F19 T23 | Q18-E21 HydrophobicContact CB-CB 4.41Å; Q18-E21 HydrophobicContact CG-CB 4.32Å; Q18-E21 HydrophobicContact CG-CG 4.16Å; Q18-E21 PolarHBondContact NE2-OE1 2.97Å; Q18-E21 PolarHBondContact NE2-OE2 3.39Å; Q18-E21 VanDerWaalsContact NE2-OE2 3.17Å; Q18-E21 PolarHBondContact O-N 2.85Å; Q18-E21 PolarHBondContact OE1-OE2 3.2Å; F19-E21 VanDerWaalsContact C-N 3.35Å; E21-T23 PolarHBondContact O-N 3.49Å |
| 22 | I | 80.1 | Confident | 82 | Confident | 152 Ų | 152 | 103.5 Ų | 103.5 | 78% | 0.779 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 131.3 | 172.1 | -62.5 | 170.4 | 0 | 0 | 0 | 106.9 | ||
| 23 | T | 77.5 | Confident | 81.9 | Confident | 53 Ų | 53 | 102.1 Ų | 102.1 | 33% | 0.325 | 55% | 0.55 | S | S | . | * | P | Polyproline II helix | trans | -89 | 128.7 | 179.4 | -44.4 | 0 | 0 | 0 | 0 | 109.5 | E21 S34 | E21-T23 PolarHBondContact O-N 3.49Å; T23-S34 WeakPolarHBondContact CG2-OG 3.38Å |
| 24 | D | 78 | Confident | 81.8 | Confident | 112 Ų | 112 | 103.7 Ų | 103.7 | 60% | 0.599 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 141.5 | 177.3 | -59.1 | -49.6 | 0 | 0 | 0 | 111.5 | A26 S34 | D24-A26 PolarHBondContact O-N 3.5Å; D24-S34 VanDerWaalsContact O-CB 3.31Å; D24-S34 WeakPolarHBondContact O-CB 3.35Å |
| 25 | D | 81.5 | Confident | 81.5 | Confident | 80 Ų | 80 | 106.1 Ų | 106.1 | 43% | 0.428 | 57% | 0.572 | S | S | . | * | P | Polyproline II helix | trans | -69.6 | 121 | 169 | -74.2 | -29 | 0 | 0 | 0 | 109.2 | Y27 G32 F33 | D25-Y27 VanDerWaalsContact C-N 3.29Å; D25-Y27 PolarHBondContact O-N 3.21Å; D25-G32 VanDerWaalsContact OD1-CA 3.31Å; D25-G32 WeakPolarHBondContact OD1-CA 3.32Å; D25-G32 PolarHBondContact OD1-N 3.1Å; D25-F33 CarbonylContact C-O 3.59Å; D25-F33 WeakPolarHBondContact CA-O 3.44Å |
| 26 | A | 81.1 | Confident | 81.2 | Confident | 54 Ų | 54 | 101.6 Ų | 101.6 | 45% | 0.446 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -76.9 | -16.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | D24 F33 | D24-A26 PolarHBondContact O-N 3.5Å; A26-F33 HydrophobicContact CB-CD1 3.6Å; A26-F33 HydrophobicContact CB-CE1 3.73Å; A26-F33 PolarHBondContact N-O 3.48Å |
| 27 | Y | 80.8 | Confident | 80.8 | Confident | 135 Ų | 135 | 95 Ų | 95 | 53% | 0.529 | 53% | 0.526 | S | S | . | . | B | Isolated β-bridge | trans | -130.6 | 137.4 | 178.5 | -64.2 | -60.4 | 0 | 0 | 0 | 111.8 | D25 S29 F33 | D25-Y27 VanDerWaalsContact C-N 3.29Å; D25-Y27 PolarHBondContact O-N 3.21Å; Y27-S29 PolarHBondContact O-N 3.5Å; Y27-F33 HydrophobicContact CD2-CB 4.29Å; Y27-F33 AromaticContact CD2-CD1 3.21Å; Y27-F33 HydrophobicContact CD2-CD1 3.21Å; Y27-F33 AromaticContact CD2-CE1 3.7Å; Y27-F33 HydrophobicContact CD2-CE1 3.7Å; Y27-F33 AromaticContact CD2-CG 3.86Å; Y27-F33 HydrophobicContact CD2-CG 3.86Å; Y27-F33 AromaticContact CE2-CD1 3.31Å; Y27-F33 HydrophobicContact CE2-CD1 3.31Å; Y27-F33 AromaticContact CE2-CE1 3.23Å; Y27-F33 HydrophobicContact CE2-CE1 3.23Å; Y27-F33 HydrophobicContact CE2-CG 4.1Å; Y27-F33 AromaticContact CE2-CZ 3.96Å; Y27-F33 HydrophobicContact CE2-CZ 3.96Å; Y27-F33 HydrophobicContact CG-CD1 4.32Å |
| 28 | Q | 80.3 | Confident | 80.5 | Confident | 195 Ų | 195 | 89.4 Ų | 89.4 | 91% | 0.911 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -26.4 | 174.7 | -172 | 61.1 | 58.4 | 0 | 0 | 112.9 | ||
| 29 | S | 84.7 | Confident | 80.1 | Confident | 116 Ų | 116 | 87 Ų | 87 | 81% | 0.811 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -8.7 | -175.1 | 58.5 | 0 | 0 | 0 | 0 | 114.4 | Y27 | Y27-S29 PolarHBondContact O-N 3.5Š|
| 30 | D | 78 | Confident | 79.5 | Confident | 86 Ų | 86 | 79.5 Ų | 79.5 | 46% | 0.46 | 46% | 0.463 | S | S | . | . | B | Isolated β-bridge | trans | -138.2 | 108.6 | -174.4 | -169.6 | 21 | 0 | 0 | 0 | 109.9 | F33 | D30-F33 HydrophobicContact CB-CB 4.43Å |
| 31 | L | 79.2 | Confident | 78.6 | Confident | 151 Ų | 151 | 82.1 Ų | 82.1 | 79% | 0.791 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | 127.9 | 177.9 | -66.5 | 170.8 | 0 | 0 | 0 | 109.1 | ||
| 32 | G | 78.9 | Confident | 77.5 | Confident | 60 Ų | 60 | 80.6 Ų | 80.6 | 62% | 0.619 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.6 | -2.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | D25 S34 | D25-G32 VanDerWaalsContact OD1-CA 3.31Å; D25-G32 WeakPolarHBondContact OD1-CA 3.32Å; D25-G32 PolarHBondContact OD1-N 3.1Å; G32-S34 PolarHBondContact O-N 3.28Å |
| 33 | F | 83.8 | Confident | 76.5 | Confident | 79 Ų | 79 | 80.3 Ų | 80.3 | 35% | 0.346 | 45% | 0.454 | S | S | . | . | trans | -79.7 | 115.2 | 168.2 | -180 | -95 | 0 | 0 | 0 | 109.9 | D25 A26 Y27 D30 | D25-F33 CarbonylContact C-O 3.59Å; D25-F33 WeakPolarHBondContact CA-O 3.44Å; A26-F33 HydrophobicContact CB-CD1 3.6Å; A26-F33 HydrophobicContact CB-CE1 3.73Å; A26-F33 PolarHBondContact N-O 3.48Å; Y27-F33 HydrophobicContact CD2-CB 4.29Å; Y27-F33 AromaticContact CD2-CD1 3.21Å; Y27-F33 HydrophobicContact CD2-CD1 3.21Å; Y27-F33 AromaticContact CD2-CE1 3.7Å; Y27-F33 HydrophobicContact CD2-CE1 3.7Å; Y27-F33 AromaticContact CD2-CG 3.86Å; Y27-F33 HydrophobicContact CD2-CG 3.86Å; Y27-F33 AromaticContact CE2-CD1 3.31Å; Y27-F33 HydrophobicContact CE2-CD1 3.31Å; Y27-F33 AromaticContact CE2-CE1 3.23Å; Y27-F33 HydrophobicContact CE2-CE1 3.23Å; Y27-F33 HydrophobicContact CE2-CG 4.1Å; Y27-F33 AromaticContact CE2-CZ 3.96Å; Y27-F33 HydrophobicContact CE2-CZ 3.96Å; Y27-F33 HydrophobicContact CG-CD1 4.32Å; D30-F33 HydrophobicContact CB-CB 4.43Å | ||
| 34 | S | 81.5 | Confident | 75.5 | Confident | 44 Ų | 44 | 81.7 Ų | 81.7 | 31% | 0.308 | 47% | 0.471 | S | S | . | . | trans | -134.2 | 155 | 176.8 | 63 | 0 | 0 | 0 | 0 | 112.7 | T23 D24 G32 G36 | T23-S34 WeakPolarHBondContact CG2-OG 3.38Å; D24-S34 VanDerWaalsContact O-CB 3.31Å; D24-S34 WeakPolarHBondContact O-CB 3.35Å; G32-S34 PolarHBondContact O-N 3.28Å; S34-G36 VanDerWaalsContact C-N 3.28Å | ||
| 35 | L | 79.3 | Confident | 74.5 | Confident | 65 Ų | 65 | 80.2 Ų | 80.2 | 34% | 0.34 | 48% | 0.482 | S | S | . | . | trans | -90.3 | 6.9 | 177.3 | -156.5 | 60 | 0 | 0 | 0 | 112.5 | A14 S37 L38 G39 | A14-L35 WeakPolarHBondContact CA-O 3.13Å; A14-L35 HydrophobicContact CB-CD1 4.08Å; L35-S37 PolarHBondContact O-N 3.44Å; L35-L38 HydrophobicContact CD1-CD2 3.82Å; L35-L38 HydrophobicContact CD1-CG 4.33Å; L35-L38 HydrophobicContact CD2-CB 4.41Å; L35-L38 HydrophobicContact CD2-CD2 4.14Å; L35-L38 HydrophobicContact CD2-CG 3.91Å; L35-L38 HydrophobicContact CG-CB 3.89Å; L35-L38 HydrophobicContact CG-CD2 3.91Å; L35-L38 HydrophobicContact CG-CG 3.84Å; L35-L38 WeakPolarHBondContact O-CA 3.35Å; L35-L38 WeakPolarHBondContact O-CB 3.48Å; L35-L38 PolarHBondContact O-N 3.33Å; L35-G39 PolarHBondContact O-N 3Å | ||
| 36 | G | 81.8 | Confident | 73.2 | Confident | 7 Ų | 7 | 87.8 Ų | 87.8 | 7% | 0.072 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | 44.3 | -134.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A14 S34 L38 G39 Q40 | A14-G36 WeakPolarHBondContact O-CA 3.26Å; S34-G36 VanDerWaalsContact C-N 3.28Å; G36-L38 PolarHBondContact O-N 3.42Å; G36-L38 VanDerWaalsContact O-N 3.13Å; G36-G39 PolarHBondContact O-N 3.02Å; G36-G39 VanDerWaalsContact O-N 3.07Å; G36-Q40 PolarHBondContact O-N 3Å |
| 37 | S | 78.5 | Confident | 72.4 | Confident | 9 Ų | 9 | 89.5 Ų | 89.5 | 6% | 0.063 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -61.4 | -21.6 | 178.8 | 79.9 | 0 | 0 | 0 | 0 | 114.5 | S13 R16 L35 R41 | S13-S37 PolarHBondContact O-OG 3.23Å; R16-S37 WeakPolarHBondContact CB-OG 3.29Å; R16-S37 PolarHBondContact O-N 3.17Å; L35-S37 PolarHBondContact O-N 3.44Å; S37-R41 WeakPolarHBondContact O-CB 3.5Å; S37-R41 VanDerWaalsContact O-CD 3.31Å; S37-R41 WeakPolarHBondContact O-CD 3.46Å; S37-R41 WeakPolarHBondContact O-CG 3.04Å; S37-R41 PolarHBondContact O-N 3Å |
| 38 | L | 78.4 | Confident | 71.9 | Confident | 27 Ų | 27 | 95.1 Ų | 95.1 | 14% | 0.141 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -74.2 | -29.4 | 178 | 174.7 | 67.5 | 0 | 0 | 0 | 111.1 | L10 L35 G36 A49 | L10-L38 HydrophobicContact CD2-CD2 3.87Å; L10-L38 HydrophobicContact CG-CD2 4.06Å; L35-L38 HydrophobicContact CD1-CD2 3.82Å; L35-L38 HydrophobicContact CD1-CG 4.33Å; L35-L38 HydrophobicContact CD2-CB 4.41Å; L35-L38 HydrophobicContact CD2-CD2 4.14Å; L35-L38 HydrophobicContact CD2-CG 3.91Å; L35-L38 HydrophobicContact CG-CB 3.89Å; L35-L38 HydrophobicContact CG-CD2 3.91Å; L35-L38 HydrophobicContact CG-CG 3.84Å; L35-L38 WeakPolarHBondContact O-CA 3.35Å; L35-L38 WeakPolarHBondContact O-CB 3.48Å; L35-L38 PolarHBondContact O-N 3.33Å; G36-L38 PolarHBondContact O-N 3.42Å; G36-L38 VanDerWaalsContact O-N 3.13Å; L38-A49 HydrophobicContact CD1-CB 4.18Å |
| 39 | G | 73.1 | Confident | 71.5 | Confident | 35 Ų | 35 | 88 Ų | 88 | 36% | 0.361 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -71.6 | -44.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L35 G36 R41 G42 | L35-G39 PolarHBondContact O-N 3Å; G36-G39 PolarHBondContact O-N 3.02Å; G36-G39 VanDerWaalsContact O-N 3.07Å; G39-R41 VanDerWaalsContact C-N 3.27Å; G39-R41 PolarHBondContact O-N 2.95Å; G39-G42 PolarHBondContact O-N 2.94Å |
| 40 | Q | 69.7 | Low | 71.1 | Confident | 54 Ų | 54 | 84.3 Ų | 84.3 | 25% | 0.252 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.4 | -28.5 | -178 | -65.5 | -57.8 | -39.1 | 0 | 0 | 113.3 | G36 G42 | G36-Q40 PolarHBondContact O-N 3Å; Q40-G42 PolarHBondContact O-N 2.95Å; Q40-G42 VanDerWaalsContact O-N 3.15Å |
| 41 | R | 64.4 | Low | 71.2 | Confident | 129 Ų | 129 | 88.7 Ų | 88.7 | 49% | 0.487 | 49% | 0.492 | S | S | . | . | G | 310 helix | trans | -66.4 | -14 | 178.2 | -79 | 173.1 | -172.2 | -151.9 | -1 | 113.7 | S37 G39 I43 L47 | S37-R41 WeakPolarHBondContact O-CB 3.5Å; S37-R41 VanDerWaalsContact O-CD 3.31Å; S37-R41 WeakPolarHBondContact O-CD 3.46Å; S37-R41 WeakPolarHBondContact O-CG 3.04Å; S37-R41 PolarHBondContact O-N 3Å; G39-R41 VanDerWaalsContact C-N 3.27Å; G39-R41 PolarHBondContact O-N 2.95Å; R41-I43 VanDerWaalsContact C-N 3.34Å; R41-I43 PolarHBondContact O-N 2.88Å; R41-L47 HydrophobicContact CB-CD1 4.2Å; R41-L47 HydrophobicContact CB-CD2 3.67Å; R41-L47 WeakPolarHBondContact O-CD1 3.33Å; R41-L47 VanDerWaalsContact O-CD2 3.31Å; R41-L47 WeakPolarHBondContact O-CD2 2.89Å |
| 42 | G | 57.9 | Low | 71.3 | Confident | 49 Ų | 49 | 84.9 Ų | 84.9 | 51% | 0.505 | 48% | 0.482 | S | S | . | . | G | 310 helix | trans | -73.7 | -9.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | G39 Q40 A44 | G39-G42 PolarHBondContact O-N 2.94Å; Q40-G42 PolarHBondContact O-N 2.95Å; Q40-G42 VanDerWaalsContact O-N 3.15Å; G42-A44 PolarHBondContact O-N 3.22Å |
| 43 | I | 58.8 | Low | 71.5 | Confident | 146 Ų | 146 | 84.9 Ų | 84.9 | 75% | 0.749 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -71.2 | -17.4 | -171.8 | -59 | 169.9 | 0 | 0 | 0 | 112.6 | R41 | R41-I43 VanDerWaalsContact C-N 3.34Å; R41-I43 PolarHBondContact O-N 2.88Å |
| 44 | A | 55.1 | Low | 71.4 | Confident | 82 Ų | 82 | 84.8 Ų | 84.8 | 68% | 0.678 | 48% | 0.477 | S | S | * | . | G | 310 helix | trans | -135.6 | 61.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | G42 R46 | G42-A44 PolarHBondContact O-N 3.22Å; A44-R46 VanDerWaalsContact C-N 3.27Å; A44-R46 PolarHBondContact O-N 2.83Å |
| 45 | G | 57 | Low | 71.4 | Confident | 81 Ų | 81 | 85.9 Ų | 85.9 | 84% | 0.835 | 48% | 0.476 | S | S | * | . | S | Bend | trans | 56 | -8.6 | 143.5 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||
| 46 | R | 55.8 | Low | 71.5 | Confident | 239 Ų | 239 | 86.3 Ų | 86.3 | 90% | 0.902 | 48% | 0.481 | S | S | * | . | trans | -146.1 | 85.6 | -180 | -68.9 | -163.5 | -172.5 | -107 | 4.1 | 111.7 | A44 | A44-R46 VanDerWaalsContact C-N 3.27Å; A44-R46 PolarHBondContact O-N 2.83Å | ||
| 47 | L | 63.4 | Low | 71.5 | Confident | 90 Ų | 90 | 89.3 Ų | 89.3 | 47% | 0.471 | 49% | 0.493 | S | S | . | . | trans | -101.9 | 115.1 | -179.3 | -71.4 | 174.7 | 0 | 0 | 0 | 113.3 | R41 A49 | R41-L47 HydrophobicContact CB-CD1 4.2Å; R41-L47 HydrophobicContact CB-CD2 3.67Å; R41-L47 WeakPolarHBondContact O-CD1 3.33Å; R41-L47 VanDerWaalsContact O-CD2 3.31Å; R41-L47 WeakPolarHBondContact O-CD2 2.89Å; L47-A49 HydrophobicContact CB-CB 4.31Å; L47-A49 PolarHBondContact O-N 3.37Å | ||
| 48 | R | 69.5 | Low | 71.5 | Confident | 254 Ų | 254 | 94 Ų | 94 | 96% | 0.958 | 53% | 0.532 | S | S | * | . | trans | -74 | 72.2 | 150.7 | -69.7 | -177.7 | -178.3 | 150.9 | 0.1 | 108 | ||||
| 49 | A | 72.4 | Confident | 71.6 | Confident | 45 Ų | 45 | 101.7 Ų | 101.7 | 37% | 0.372 | 56% | 0.559 | S | S | . | * | P | Polyproline II helix | trans | -77.8 | 148.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110 | L38 L47 Q51 | L38-A49 HydrophobicContact CD1-CB 4.18Å; L47-A49 HydrophobicContact CB-CB 4.31Å; L47-A49 PolarHBondContact O-N 3.37Å; A49-Q51 PolarHBondContact O-N 3.07Å |
| 50 | P | 76 | Confident | 72 | Confident | 38 Ų | 38 | 103.5 Ų | 103.5 | 25% | 0.247 | 56% | 0.563 | C | S | . | * | P | Polyproline II helix | trans | -58.1 | 124 | 170.2 | 23.8 | -31.9 | 0 | 0 | 0 | 109.6 | E9 L10 S13 | E9-P50 HydrophobicContact CB-CB 4.03Å; L10-P50 HydrophobicContact CB-CG 4.44Å; S13-P50 VanDerWaalsContact OG-CG 3.27Å; S13-P50 WeakPolarHBondContact OG-CG 3.41Å |
| 51 | Q | 81.5 | Confident | 72.8 | Confident | 179 Ų | 179 | 104.3 Ų | 104.3 | 84% | 0.836 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 148.2 | -179.2 | -67.9 | -172.9 | -31.6 | 0 | 0 | 111 | A49 D53 | A49-Q51 PolarHBondContact O-N 3.07Å; Q51-D53 PolarHBondContact O-N 3.48Å |
| 52 | A | 81.5 | Confident | 73.7 | Confident | 70 Ų | 70 | 106 Ų | 106 | 58% | 0.579 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 126.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | L10 | L10-A52 HydrophobicContact CD1-CB 4.23Š|
| 53 | D | 82.8 | Confident | 75 | Confident | 60 Ų | 60 | 106.4 Ų | 106.4 | 32% | 0.321 | 58% | 0.584 | S | S | . | * | P | Polyproline II helix | trans | -71.6 | 137.7 | -178.1 | -168.8 | -25 | 0 | 0 | 0 | 110.4 | Q51 K55 T56 | Q51-D53 PolarHBondContact O-N 3.48Å; D53-K55 HydrophobicContact CB-CG 4.17Å; D53-K55 VanDerWaalsContact CG-CG 3.49Å; D53-K55 PolarHBondContact O-N 3.41Å; D53-K55 VanDerWaalsContact O-N 3.13Å; D53-K55 PolarHBondContact OD1-N 3.32Å; D53-K55 WeakPolarHBondContact OD2-CD 3.44Å; D53-K55 WeakPolarHBondContact OD2-CE 3.27Å; D53-K55 WeakPolarHBondContact OD2-CG 3.48Å; D53-K55 IonicContact OD2-NZ 2.86Å; D53-K55 PolarHBondContact OD2-NZ 3.43Å; D53-T56 HydrophobicContact CB-CG2 4.44Å; D53-T56 PolarHBondContact O-N 2.93Å; D53-T56 VanDerWaalsContact O-N 3.07Å; D53-T56 PolarHBondContact O-OG1 3.06Å |
| 54 | S | 81 | Confident | 76.2 | Confident | 77 Ų | 77 | 103.1 Ų | 103.1 | 54% | 0.538 | 57% | 0.567 | S | S | . | * | G | 310 helix | trans | -59.9 | -24.4 | 176.8 | -72 | 0 | 0 | 0 | 0 | 112.8 | T56 K57 | S54-T56 VanDerWaalsContact C-N 3.31Å; S54-T56 PolarHBondContact O-N 2.86Å; S54-K57 PolarHBondContact O-N 3.13Å |
| 55 | K | 82.6 | Confident | 77.6 | Confident | 68 Ų | 68 | 104.5 Ų | 104.5 | 30% | 0.296 | 56% | 0.56 | S | S | . | * | G | 310 helix | trans | -71.8 | -22.8 | 177.5 | 80.9 | -164.7 | -178.9 | -154.2 | 0 | 113.8 | E3 D53 K57 | E3-K55 VanDerWaalsContact O-CD 3.26Å; E3-K55 WeakPolarHBondContact O-CD 3.4Å; E3-K55 WeakPolarHBondContact O-CE 3.32Å; E3-K55 PolarHBondContact O-NZ 3.15Å; D53-K55 HydrophobicContact CB-CG 4.17Å; D53-K55 VanDerWaalsContact CG-CG 3.49Å; D53-K55 PolarHBondContact O-N 3.41Å; D53-K55 VanDerWaalsContact O-N 3.13Å; D53-K55 PolarHBondContact OD1-N 3.32Å; D53-K55 WeakPolarHBondContact OD2-CD 3.44Å; D53-K55 WeakPolarHBondContact OD2-CE 3.27Å; D53-K55 WeakPolarHBondContact OD2-CG 3.48Å; D53-K55 IonicContact OD2-NZ 2.86Å; D53-K55 PolarHBondContact OD2-NZ 3.43Å; K55-K57 VanDerWaalsContact C-N 3.33Å |
| 56 | T | 80.8 | Confident | 78.8 | Confident | 73 Ų | 73 | 106.2 Ų | 106.2 | 45% | 0.448 | 55% | 0.546 | S | S | . | . | G | 310 helix | trans | -86 | -7.1 | 178.6 | 57.1 | 0 | 0 | 0 | 0 | 112.9 | D53 S54 A58 | D53-T56 HydrophobicContact CB-CG2 4.44Å; D53-T56 PolarHBondContact O-N 2.93Å; D53-T56 VanDerWaalsContact O-N 3.07Å; D53-T56 PolarHBondContact O-OG1 3.06Å; S54-T56 VanDerWaalsContact C-N 3.31Å; S54-T56 PolarHBondContact O-N 2.86Å; T56-A58 PolarHBondContact O-N 2.76Å |
| 57 | K | 80.9 | Confident | 79.9 | Confident | 71 Ų | 71 | 101.5 Ų | 101.5 | 31% | 0.309 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -63.7 | 131.1 | 174.7 | -62.1 | -174 | -179.1 | -163.8 | 0 | 109.9 | S54 K55 R59 T79 T80 | S54-K57 PolarHBondContact O-N 3.13Å; K55-K57 VanDerWaalsContact C-N 3.33Å; K57-R59 PolarHBondContact O-N 2.98Å; K57-T79 PolarHBondContact NZ-OG1 3.02Å; K57-T80 PolarHBondContact NZ-OG1 3.11Å |
| 58 | A | 79.9 | Confident | 80.6 | Confident | 108 Ų | 108 | 100.9 Ų | 100.9 | 89% | 0.893 | 53% | 0.529 | S | S | * | . | trans | -57.6 | 129.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | T56 | T56-A58 PolarHBondContact O-N 2.76Š| ||
| 59 | R | 80.5 | Confident | 80.9 | Confident | 188 Ų | 188 | 93.1 Ų | 93.1 | 71% | 0.709 | 51% | 0.514 | S | S | * | . | trans | -108.8 | 136 | 173.7 | -64.9 | -168.9 | -179.4 | -168.5 | -1.9 | 108.8 | K57 | K57-R59 PolarHBondContact O-N 2.98Š| ||
| 60 | V | 81.1 | Confident | 80.9 | Confident | 73 Ų | 73 | 99.5 Ų | 99.5 | 44% | 0.442 | 53% | 0.533 | S | S | . | . | trans | -71 | 143.3 | 168.9 | -66.7 | 0 | 0 | 0 | 0 | 109.5 | L64 Q65 L68 | V60-L64 HydrophobicContact CB-CB 4.32Å; V60-L64 HydrophobicContact CB-CD2 3.91Å; V60-L64 HydrophobicContact CB-CG 4.18Å; V60-L64 HydrophobicContact CG1-CD2 3.75Å; V60-L64 HydrophobicContact CG1-CG 4.28Å; V60-Q65 HydrophobicContact CG2-CB 3.94Å; V60-Q65 HydrophobicContact CG2-CG 4.3Å; V60-L68 HydrophobicContact CG1-CD1 4.19Å | ||
| 61 | S | 85.6 | Confident | 80.4 | Confident | 71 Ų | 71 | 104.9 Ų | 104.9 | 50% | 0.497 | 55% | 0.553 | S | S | . | * | trans | -64.7 | 155.3 | 172.1 | 69.9 | 0 | 0 | 0 | 0 | 109.9 | A63 L64 Q65 | S61-A63 PolarHBondContact O-N 2.84Å; S61-L64 PolarHBondContact O-N 3.16Å; S61-L64 VanDerWaalsContact OG-CB 3.29Å; S61-L64 WeakPolarHBondContact OG-CB 3.42Å; S61-L64 PolarHBondContact OG-N 3.36Å; S61-L64 VanDerWaalsContact OG-N 3.13Å; S61-Q65 PolarHBondContact O-N 2.97Å | ||
| 62 | K | 84.5 | Confident | 79.2 | Confident | 165 Ų | 165 | 97.8 Ų | 97.8 | 72% | 0.717 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -56.8 | -37.4 | 178.4 | -169.5 | 175.9 | -177.4 | 178.7 | 0 | 112 | Q65 Q66 | K62-Q65 PolarHBondContact O-N 3.45Å; K62-Q66 WeakPolarHBondContact O-CG 3.31Å; K62-Q66 PolarHBondContact O-N 2.79Å |
| 63 | A | 84.7 | Confident | 78 | Confident | 57 Ų | 57 | 97.4 Ų | 97.4 | 47% | 0.471 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.9 | -41.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S61 Q66 K67 | S61-A63 PolarHBondContact O-N 2.84Å; A63-Q66 PolarHBondContact O-N 2.81Å; A63-K67 WeakPolarHBondContact O-CG 3.35Å; A63-K67 PolarHBondContact O-N 3.19Å |
| 64 | L | 84.6 | Confident | 76.6 | Confident | 76 Ų | 76 | 101.8 Ų | 101.8 | 40% | 0.398 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.6 | -39.6 | 176.1 | -178.9 | 61.4 | 0 | 0 | 0 | 111.4 | V60 S61 Q66 K67 L68 | V60-L64 HydrophobicContact CB-CB 4.32Å; V60-L64 HydrophobicContact CB-CD2 3.91Å; V60-L64 HydrophobicContact CB-CG 4.18Å; V60-L64 HydrophobicContact CG1-CD2 3.75Å; V60-L64 HydrophobicContact CG1-CG 4.28Å; S61-L64 PolarHBondContact O-N 3.16Å; S61-L64 VanDerWaalsContact OG-CB 3.29Å; S61-L64 WeakPolarHBondContact OG-CB 3.42Å; S61-L64 PolarHBondContact OG-N 3.36Å; S61-L64 VanDerWaalsContact OG-N 3.13Å; L64-Q66 VanDerWaalsContact C-N 3.34Å; L64-Q66 PolarHBondContact O-N 3.25Å; L64-K67 PolarHBondContact O-N 3.28Å; L64-L68 HydrophobicContact CD1-CD1 4.22Å; L64-L68 HydrophobicContact CD1-CG 4.11Å; L64-L68 HydrophobicContact CG-CD1 3.9Å; L64-L68 HydrophobicContact CG-CG 4.26Å; L64-L68 WeakPolarHBondContact O-CB 3.32Å; L64-L68 VanDerWaalsContact O-CG 3.32Å; L64-L68 WeakPolarHBondContact O-CG 3.39Å; L64-L68 PolarHBondContact O-N 2.83Å |
| 65 | Q | 83.6 | Confident | 75.2 | Confident | 112 Ų | 112 | 102.9 Ų | 102.9 | 52% | 0.523 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -58.3 | -46.5 | 175.2 | -167.5 | 173.3 | 16.5 | 0 | 0 | 111 | V60 S61 K62 K67 L68 S69 | V60-Q65 HydrophobicContact CG2-CB 3.94Å; V60-Q65 HydrophobicContact CG2-CG 4.3Å; S61-Q65 PolarHBondContact O-N 2.97Å; K62-Q65 PolarHBondContact O-N 3.45Å; Q65-K67 PolarHBondContact O-N 3.47Å; Q65-L68 PolarHBondContact O-N 2.86Å; Q65-S69 WeakPolarHBondContact O-CB 3.43Å; Q65-S69 PolarHBondContact O-N 2.91Å; Q65-S69 PolarHBondContact O-OG 2.69Å |
| 66 | Q | 81.9 | Confident | 73.8 | Confident | 116 Ų | 116 | 105.5 Ų | 105.5 | 54% | 0.542 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62.3 | -41.7 | 175.3 | -73.2 | 176.7 | -14.3 | 0 | 0 | 112.8 | K62 A63 L64 S69 K70 | K62-Q66 WeakPolarHBondContact O-CG 3.31Å; K62-Q66 PolarHBondContact O-N 2.79Å; A63-Q66 PolarHBondContact O-N 2.81Å; L64-Q66 VanDerWaalsContact C-N 3.34Å; L64-Q66 PolarHBondContact O-N 3.25Å; Q66-S69 PolarHBondContact O-N 2.87Å; Q66-K70 WeakPolarHBondContact O-CG 3.49Å; Q66-K70 PolarHBondContact O-N 2.87Å; Q66-K70 VanDerWaalsContact O-N 3.1Å |
| 67 | K | 80.2 | Confident | 72.6 | Confident | 140 Ų | 140 | 109.7 Ų | 109.7 | 61% | 0.609 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -64.1 | -44.5 | 176.5 | -72.9 | -178.7 | -179.6 | -172.8 | 0 | 111.8 | A63 L64 Q65 S69 K70 F71 | A63-K67 WeakPolarHBondContact O-CG 3.35Å; A63-K67 PolarHBondContact O-N 3.19Å; L64-K67 PolarHBondContact O-N 3.28Å; Q65-K67 PolarHBondContact O-N 3.47Å; K67-S69 PolarHBondContact O-N 2.85Å; K67-K70 PolarHBondContact O-N 3.35Å; K67-F71 PolarHBondContact O-N 2.87Å |
| 68 | L | 77.3 | Confident | 71.2 | Confident | 78 Ų | 78 | 112.6 Ų | 112.6 | 41% | 0.408 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -65.7 | -36.7 | 178 | -70.6 | 171.7 | 0 | 0 | 0 | 112.3 | V60 L64 Q65 K70 F71 | V60-L68 HydrophobicContact CG1-CD1 4.19Å; L64-L68 HydrophobicContact CD1-CD1 4.22Å; L64-L68 HydrophobicContact CD1-CG 4.11Å; L64-L68 HydrophobicContact CG-CD1 3.9Å; L64-L68 HydrophobicContact CG-CG 4.26Å; L64-L68 WeakPolarHBondContact O-CB 3.32Å; L64-L68 VanDerWaalsContact O-CG 3.32Å; L64-L68 WeakPolarHBondContact O-CG 3.39Å; L64-L68 PolarHBondContact O-N 2.83Å; Q65-L68 PolarHBondContact O-N 2.86Å; L68-K70 VanDerWaalsContact C-N 3.33Å; L68-F71 PolarHBondContact O-N 3.05Å |
| 69 | S | 76.1 | Confident | 69.8 | Low | 91 Ų | 91 | 111 Ų | 111 | 64% | 0.636 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64 | -37.8 | 172.9 | -59.7 | 0 | 0 | 0 | 0 | 112.3 | Q65 Q66 K67 | Q65-S69 WeakPolarHBondContact O-CB 3.43Å; Q65-S69 PolarHBondContact O-N 2.91Å; Q65-S69 PolarHBondContact O-OG 2.69Å; Q66-S69 PolarHBondContact O-N 2.87Å; K67-S69 PolarHBondContact O-N 2.85Å |
| 70 | K | 71.2 | Confident | 68.3 | Low | 178 Ų | 178 | 107.4 Ų | 107.4 | 77% | 0.774 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -73.7 | -33.7 | 178.3 | -72.8 | -179.7 | 176 | -160.9 | 0 | 113.4 | Q66 K67 L68 G72 | Q66-K70 WeakPolarHBondContact O-CG 3.49Å; Q66-K70 PolarHBondContact O-N 2.87Å; Q66-K70 VanDerWaalsContact O-N 3.1Å; K67-K70 PolarHBondContact O-N 3.35Å; L68-K70 VanDerWaalsContact C-N 3.33Å; K70-G72 PolarHBondContact O-N 3.35Å |
| 71 | F | 66.1 | Low | 66.7 | Low | 151 Ų | 151 | 108.4 Ų | 108.4 | 66% | 0.662 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | 6.1 | -179.8 | -95.7 | -83.5 | 0 | 0 | 0 | 114.6 | K67 L68 | K67-F71 PolarHBondContact O-N 2.87Å; L68-F71 PolarHBondContact O-N 3.05Å |
| 72 | G | 56.6 | Low | 64.6 | Low | 30 Ų | 30 | 114.1 Ų | 114.1 | 31% | 0.309 | 64% | 0.642 | S | S | . | * | trans | 72.2 | 77.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | K70 M74 | K70-G72 PolarHBondContact O-N 3.35Å; G72-M74 VanDerWaalsContact C-N 3.27Å; G72-M74 PolarHBondContact O-N 3.28Å | ||
| 73 | G | 55.6 | Low | 62.8 | Low | 63 Ų | 63 | 109.6 Ų | 109.6 | 65% | 0.649 | 64% | 0.641 | S | S | * | * | trans | 61.9 | 19.8 | 149.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | S75 | G73-S75 VanDerWaalsContact C-N 3.28Å; G73-S75 PolarHBondContact O-N 3.32Å | ||
| 74 | M | 53.4 | Low | 60.9 | Low | 152 Ų | 152 | 111.3 Ų | 111.3 | 75% | 0.749 | 66% | 0.656 | S | S | * | * | trans | -74.9 | 85.7 | 175 | -165.1 | 149 | 84.5 | 0 | 0 | 110.4 | G72 T76 | G72-M74 VanDerWaalsContact C-N 3.27Å; G72-M74 PolarHBondContact O-N 3.28Å; M74-T76 PolarHBondContact O-N 3.49Å | ||
| 75 | S | 53.1 | Low | 59.2 | Low | 99 Ų | 99 | 112.3 Ų | 112.3 | 69% | 0.692 | 68% | 0.675 | S | S | * | * | trans | 15.6 | 93.2 | 139.1 | 59.4 | 0 | 0 | 0 | 0 | 115.8 | G73 | G73-S75 VanDerWaalsContact C-N 3.28Å; G73-S75 PolarHBondContact O-N 3.32Å | ||
| 76 | T | 51.8 | Low | 57.4 | Low | 123 Ų | 123 | 112.5 Ų | 112.5 | 76% | 0.755 | 69% | 0.689 | S | S | * | * | trans | -146.1 | 106.1 | 147.3 | -32.8 | 0 | 0 | 0 | 0 | 108.4 | M74 | M74-T76 PolarHBondContact O-N 3.49Š| ||
| 77 | M | 55.5 | Low | 55.8 | Low | 161 Ų | 161 | 118.8 Ų | 118.8 | 79% | 0.793 | 71% | 0.708 | S | S | * | * | trans | 89.1 | 103.7 | 172.7 | -60.3 | -64.7 | -154.1 | 0 | 0 | 119.1 | T79 | M77-T79 HydrophobicContact CB-CG2 4.41Š| ||
| 78 | P | 51.5 | Low | 54.1 | Low | 132 Ų | 132 | 115.3 Ų | 115.3 | 86% | 0.857 | 71% | 0.712 | S | S | * | * | trans | -88.4 | 99.6 | 160.2 | 33.9 | -23.1 | 0 | 0 | 0 | 108.3 | ||||
| 79 | T | 51.5 | Low | 52.6 | Low | 75 Ų | 75 | 115 Ų | 115 | 46% | 0.46 | 73% | 0.727 | S | S | . | * | trans | -141.1 | 119.5 | 164.2 | 109.4 | 0 | 0 | 0 | 0 | 108.8 | K57 M77 | K57-T79 PolarHBondContact NZ-OG1 3.02Å; M77-T79 HydrophobicContact CB-CG2 4.41Å | ||
| 80 | T | 49.3 | Very low | 51 | Low | 113 Ų | 113 | 119.1 Ų | 119.1 | 69% | 0.693 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 72.4 | 119.5 | 168.7 | 51 | 0 | 0 | 0 | 0 | 117.5 | K57 | K57-T80 PolarHBondContact NZ-OG1 3.11Š|
| 81 | A | 47.3 | Very low | 49.9 | Very low | 94 Ų | 94 | 114.5 Ų | 114.5 | 78% | 0.777 | 73% | 0.732 | S | S | * | * | trans | 84.5 | 87.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | G83 | A81-G83 PolarHBondContact O-N 3.43Š| ||
| 82 | L | 41.6 | Very low | 49.1 | Very low | 191 Ų | 191 | 113.7 Ų | 113.7 | 100% | 1 | 74% | 0.739 | S | S | * | * | 24.2 | 74 | 121.3 | -167 | 68.3 | 0 | 0 | 0 | 115 | |||||
| 83 | G | 45.4 | Very low | 48.9 | Very low | 69 Ų | 69 | 118.7 Ų | 118.7 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | trans | -144.6 | 23.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A81 A85 | A81-G83 PolarHBondContact O-N 3.43Å; G83-A85 PolarHBondContact O-N 2.9Å; G83-A85 VanDerWaalsContact O-N 3.11Å | ||
| 84 | A | 45.3 | Very low | 48.4 | Very low | 93 Ų | 93 | 125.5 Ų | 125.5 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | trans | -76.9 | 84.3 | 161.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | S86 | A84-S86 PolarHBondContact O-N 3.23Š| ||
| 85 | A | 47.9 | Very low | 48.2 | Very low | 98 Ų | 98 | 127.2 Ų | 127.2 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | trans | -68.3 | 71.3 | 158.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | G83 W87 | G83-A85 PolarHBondContact O-N 2.9Å; G83-A85 VanDerWaalsContact O-N 3.11Å; A85-W87 PolarHBondContact O-N 3.11Å | ||
| 86 | S | 47.1 | Very low | 47.9 | Very low | 116 Ų | 116 | 130.2 Ų | 130.2 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | trans | -69.2 | 78.2 | 164 | 177.3 | 0 | 0 | 0 | 0 | 106.6 | A84 | A84-S86 PolarHBondContact O-N 3.23Š| ||
| 87 | W | 47.8 | Very low | 47.9 | Very low | 248 Ų | 248 | 129.5 Ų | 129.5 | 94% | 0.939 | 77% | 0.771 | S | S | * | * | trans | -115.5 | 102 | 171 | -177.2 | -95.3 | 0 | 0 | 0 | 108.9 | A85 | A85-W87 PolarHBondContact O-N 3.11Š| ||
| 88 | G | 44.2 | Very low | 47.6 | Very low | 67 Ų | 67 | 126.2 Ų | 126.2 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 110.5 | 102.3 | 157.3 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 89 | G | 45.9 | Very low | 47.7 | Very low | 70 Ų | 70 | 121.4 Ų | 121.4 | 72% | 0.722 | 74% | 0.744 | S | S | * | * | trans | 92.6 | 106.7 | 137.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | S91 | G89-S91 PolarHBondContact O-N 3.39Š| ||
| 90 | N | 43.2 | Very low | 47.9 | Very low | 179 Ų | 179 | 122.4 Ų | 122.4 | 96% | 0.957 | 75% | 0.75 | S | S | * | * | trans | -60.1 | 114.6 | 170.8 | -64.2 | -7.8 | 0 | 0 | 0 | 111.3 | ||||
| 91 | S | 48.3 | Very low | 48.3 | Very low | 81 Ų | 81 | 120.1 Ų | 120.1 | 57% | 0.566 | 74% | 0.738 | S | S | * | * | trans | -147 | 116.5 | 158.5 | -172.9 | 0 | 0 | 0 | 0 | 110 | G89 V93 R94 | G89-S91 PolarHBondContact O-N 3.39Å; S91-V93 PolarHBondContact O-N 3.34Å; S91-R94 PolarHBondContact O-N 2.96Å | ||
| 92 | T | 49 | Very low | 48.9 | Very low | 133 Ų | 133 | 118.3 Ų | 118.3 | 82% | 0.816 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.4 | 110.1 | 165.4 | 138.8 | 0 | 0 | 0 | 0 | 107 | ||
| 93 | V | 51.2 | Low | 49.8 | Very low | 135 Ų | 135 | 112 Ų | 112 | 82% | 0.818 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -148.1 | 70.3 | 31.4 | -179 | 0 | 0 | 0 | 0 | 107.3 | S91 | S91-V93 PolarHBondContact O-N 3.34Š|
| 94 | R | 45.1 | Very low | 50.8 | Low | 206 Ų | 206 | 113.5 Ų | 113.5 | 78% | 0.777 | 68% | 0.683 | S | S | * | * | trans | -102.7 | 68.6 | 174 | -74.7 | -145.9 | -59.7 | -137 | -0.8 | 112.9 | S91 | S91-R94 PolarHBondContact O-N 2.96Š| ||
| 95 | K | 49.7 | Very low | 52 | Low | 189 Ų | 189 | 111 Ų | 111 | 82% | 0.822 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -140.2 | 100.1 | 169.8 | -80.7 | -169.2 | 177.4 | 174.1 | 0 | 111.4 | ||
| 96 | H | 48.3 | Very low | 52.8 | Low | 162 Ų | 162 | 114.3 Ų | 114.3 | 75% | 0.75 | 66% | 0.659 | S | S | * | * | S | Bend | trans | 102.3 | 23.7 | 156.8 | -61.2 | -78.7 | 0 | 0 | 0 | 122.5 | ||
| 97 | V | 50.5 | Low | 54 | Low | 108 Ų | 108 | 110.8 Ų | 110.8 | 66% | 0.655 | 63% | 0.632 | S | S | * | * | trans | -138.6 | 60.3 | 163.5 | -168.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 98 | A | 50.5 | Low | 55.1 | Low | 92 Ų | 92 | 106 Ų | 106 | 76% | 0.76 | 63% | 0.633 | S | S | * | * | trans | -113.2 | 88 | -176.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 99 | G | 53.6 | Low | 56.2 | Low | 30 Ų | 30 | 110.6 Ų | 110.6 | 31% | 0.309 | 64% | 0.641 | S | S | . | * | S | Bend | trans | 168 | -27.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q118 | G99-Q118 PolarHBondContact O-NE2 3Š|
| 100 | T | 55.7 | Low | 57.3 | Low | 96 Ų | 96 | 115 Ų | 115 | 59% | 0.589 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -128.8 | -1.6 | -179 | 57.6 | 0 | 0 | 0 | 0 | 113.8 | ||
| 101 | S | 56.6 | Low | 58.7 | Low | 65 Ų | 65 | 108.2 Ų | 108.2 | 46% | 0.455 | 62% | 0.615 | S | S | . | * | trans | -96 | 114.3 | 179.2 | -168.5 | 0 | 0 | 0 | 0 | 108.7 | S103 | S101-S103 PolarHBondContact O-N 3.49Š| ||
| 102 | S | 59.7 | Low | 60.1 | Low | 56 Ų | 56 | 109.8 Ų | 109.8 | 39% | 0.392 | 62% | 0.616 | S | S | . | * | trans | -48.6 | 122.8 | 157 | 44.2 | 0 | 0 | 0 | 0 | 108.7 | I104 | S102-I104 PolarHBondContact O-N 2.68Š| ||
| 103 | S | 61.5 | Low | 61.1 | Low | 60 Ų | 60 | 108.3 Ų | 108.3 | 42% | 0.42 | 60% | 0.6 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.1 | 116.2 | 178.1 | 51.1 | 0 | 0 | 0 | 0 | 109 | S101 V115 | S101-S103 PolarHBondContact O-N 3.49Å; S103-V115 PolarHBondContact N-O 3.31Å; S103-V115 PolarHBondContact O-N 3.46Å; S103-V115 WeakPolarHBondContact OG-CB 3.49Å; S103-V115 PolarHBondContact OG-O 2.99Å |
| 104 | I | 66.2 | Low | 62.1 | Low | 99 Ų | 99 | 107.5 Ų | 107.5 | 51% | 0.508 | 59% | 0.59 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.8 | 115.8 | 172.7 | -57.5 | 176.3 | 0 | 0 | 0 | 107.5 | S102 F106 L112 E113 I114 | S102-I104 PolarHBondContact O-N 2.68Å; I104-F106 HydrophobicContact CG2-CE2 4.2Å; I104-L112 HydrophobicContact CG2-CD2 3.61Å; I104-E113 CarbonylContact C-O 3.51Å; I104-E113 WeakPolarHBondContact CA-O 3.31Å; I104-I114 HydrophobicContact CG1-CG1 4.42Å |
| 105 | A | 69.7 | Low | 63 | Low | 41 Ų | 41 | 100.7 Ų | 100.7 | 34% | 0.339 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.3 | 136.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | E113 | A105-E113 HydrophobicContact CB-CB 4.49Å; A105-E113 PolarHBondContact N-O 2.9Å; A105-E113 PolarHBondContact O-N 3.02Å |
| 106 | F | 65.8 | Low | 63.9 | Low | 168 Ų | 168 | 95 Ų | 95 | 74% | 0.737 | 55% | 0.55 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 113.9 | 173.9 | -71 | -100.6 | 0 | 0 | 0 | 108.5 | I104 L112 | I104-F106 HydrophobicContact CG2-CE2 4.2Å; F106-L112 HydrophobicContact CD1-CD2 3.45Å; F106-L112 VanDerWaalsContact CD1-CD2 3.45Å; F106-L112 HydrophobicContact CD1-CG 4.44Å; F106-L112 HydrophobicContact CD2-CD2 4.18Å; F106-L112 HydrophobicContact CE1-CD2 3.11Å; F106-L112 HydrophobicContact CE1-CG 4.19Å; F106-L112 HydrophobicContact CE2-CD2 3.86Å; F106-L112 HydrophobicContact CG-CD2 3.99Å; F106-L112 HydrophobicContact CZ-CD2 3.32Å |
| 107 | T | 71.5 | Confident | 64.6 | Low | 42 Ų | 42 | 91 Ų | 91 | 26% | 0.258 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 127.6 | 171.9 | 60.7 | 0 | 0 | 0 | 0 | 109 | L109 Q110 G111 | T107-L109 PolarHBondContact O-N 3.11Å; T107-L109 VanDerWaalsContact O-N 3.11Å; T107-Q110 PolarHBondContact O-N 3.47Å; T107-Q110 WeakPolarHBondContact OG1-CB 3.44Å; T107-G111 PolarHBondContact N-O 3.41Å; T107-G111 WeakPolarHBondContact O-CA 3.31Å; T107-G111 PolarHBondContact O-N 3.21Å; T107-G111 PolarHBondContact OG1-N 3.39Å; T107-G111 PolarHBondContact OG1-O 3.1Å |
| 108 | P | 70.9 | Confident | 65.1 | Low | 148 Ų | 148 | 90.9 Ų | 90.9 | 96% | 0.961 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -17.9 | -172.3 | 21.7 | -30.9 | 0 | 0 | 0 | 114.2 | ||
| 109 | L | 67.6 | Low | 65.6 | Low | 162 Ų | 162 | 90.2 Ų | 90.2 | 85% | 0.848 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -28.7 | 179.8 | -170.4 | 63.9 | 0 | 0 | 0 | 113.5 | T107 | T107-L109 PolarHBondContact O-N 3.11Å; T107-L109 VanDerWaalsContact O-N 3.11Å |
| 110 | Q | 69.1 | Low | 65.9 | Low | 164 Ų | 164 | 92.9 Ų | 92.9 | 77% | 0.766 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.1 | -7.3 | -169.2 | -70.5 | 165.4 | -33 | 0 | 0 | 113.6 | T107 | T107-Q110 PolarHBondContact O-N 3.47Å; T107-Q110 WeakPolarHBondContact OG1-CB 3.44Å |
| 111 | G | 72.5 | Confident | 66.1 | Low | 35 Ų | 35 | 95.6 Ų | 95.6 | 36% | 0.361 | 55% | 0.55 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 88.9 | -140.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | T107 | T107-G111 PolarHBondContact N-O 3.41Å; T107-G111 WeakPolarHBondContact O-CA 3.31Å; T107-G111 PolarHBondContact O-N 3.21Å; T107-G111 PolarHBondContact OG1-N 3.39Å; T107-G111 PolarHBondContact OG1-O 3.1Å |
| 112 | L | 77.1 | Confident | 66.3 | Low | 114 Ų | 114 | 101.3 Ų | 101.3 | 60% | 0.597 | 57% | 0.567 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84.4 | 115.1 | -175.8 | -69.4 | 172.7 | 0 | 0 | 0 | 110.8 | I104 F106 | I104-L112 HydrophobicContact CG2-CD2 3.61Å; F106-L112 HydrophobicContact CD1-CD2 3.45Å; F106-L112 VanDerWaalsContact CD1-CD2 3.45Å; F106-L112 HydrophobicContact CD1-CG 4.44Å; F106-L112 HydrophobicContact CD2-CD2 4.18Å; F106-L112 HydrophobicContact CE1-CD2 3.11Å; F106-L112 HydrophobicContact CE1-CG 4.19Å; F106-L112 HydrophobicContact CE2-CD2 3.86Å; F106-L112 HydrophobicContact CG-CD2 3.99Å; F106-L112 HydrophobicContact CZ-CD2 3.32Å |
| 113 | E | 70 | Confident | 66.4 | Low | 103 Ų | 103 | 104.2 Ų | 104.2 | 48% | 0.481 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.9 | 126.4 | 171.9 | -170 | -178.9 | 176 | 0 | 0 | 110.2 | I104 A105 V115 | I104-E113 CarbonylContact C-O 3.51Å; I104-E113 WeakPolarHBondContact CA-O 3.31Å; A105-E113 HydrophobicContact CB-CB 4.49Å; A105-E113 PolarHBondContact N-O 2.9Å; A105-E113 PolarHBondContact O-N 3.02Å; E113-V115 HydrophobicContact CG-CG2 4.04Å |
| 114 | I | 72.8 | Confident | 66.3 | Low | 118 Ų | 118 | 108.4 Ų | 108.4 | 61% | 0.605 | 60% | 0.6 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -100.7 | 103.3 | 177.3 | -54 | 178.6 | 0 | 0 | 0 | 108.1 | I104 | I104-I114 HydrophobicContact CG1-CG1 4.42Å |
| 115 | V | 64.5 | Low | 65.9 | Low | 62 Ų | 62 | 111.5 Ų | 111.5 | 38% | 0.376 | 61% | 0.612 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.4 | 115.6 | 176 | -179.5 | 0 | 0 | 0 | 0 | 108.9 | S103 E113 P117 | S103-V115 PolarHBondContact N-O 3.31Å; S103-V115 PolarHBondContact O-N 3.46Å; S103-V115 WeakPolarHBondContact OG-CB 3.49Å; S103-V115 PolarHBondContact OG-O 2.99Å; E113-V115 HydrophobicContact CG-CG2 4.04Å; V115-P117 WeakPolarHBondContact O-CD 3.12Å |
| 116 | N | 67.3 | Low | 65.4 | Low | 71 Ų | 71 | 114.2 Ų | 114.2 | 38% | 0.38 | 63% | 0.625 | S | S | . | * | trans | -97.2 | 104.5 | 171.2 | -176.5 | 1 | 0 | 0 | 0 | 109.4 | Q118 A119 | N116-Q118 PolarHBondContact O-N 3.13Å; N116-Q118 VanDerWaalsContact O-N 3.17Å; N116-Q118 WeakPolarHBondContact OD1-CB 3.46Å; N116-Q118 PolarHBondContact OD1-N 3.24Å; N116-A119 HydrophobicContact CB-CB 4.04Å; N116-A119 WeakPolarHBondContact O-CB 3.48Å; N116-A119 PolarHBondContact O-N 2.83Å | ||
| 117 | P | 64 | Low | 65 | Low | 78 Ų | 78 | 108.7 Ų | 108.7 | 51% | 0.506 | 62% | 0.615 | S | S | . | * | G | 310 helix | trans | -63.4 | -22.1 | 179.2 | 26 | -33.8 | 0 | 0 | 0 | 112.9 | V115 A119 | V115-P117 WeakPolarHBondContact O-CD 3.12Å; P117-A119 VanDerWaalsContact C-N 3.33Å |
| 118 | Q | 61.1 | Low | 64.4 | Low | 105 Ų | 105 | 112 Ų | 112 | 49% | 0.491 | 63% | 0.631 | S | S | . | * | G | 310 helix | trans | -76.8 | -19.3 | 176 | -57.7 | -175.5 | -46.3 | 0 | 0 | 112.8 | G99 N116 A120 E121 | G99-Q118 PolarHBondContact O-NE2 3Å; N116-Q118 PolarHBondContact O-N 3.13Å; N116-Q118 VanDerWaalsContact O-N 3.17Å; N116-Q118 WeakPolarHBondContact OD1-CB 3.46Å; N116-Q118 PolarHBondContact OD1-N 3.24Å; Q118-A120 VanDerWaalsContact C-N 3.25Å; Q118-A120 PolarHBondContact O-N 3.33Å; Q118-E121 PolarHBondContact O-N 2.81Å |
| 119 | A | 60.1 | Low | 64.1 | Low | 78 Ų | 78 | 112.4 Ų | 112.4 | 65% | 0.645 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -72 | -20.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | N116 P117 E121 | N116-A119 HydrophobicContact CB-CB 4.04Å; N116-A119 WeakPolarHBondContact O-CB 3.48Å; N116-A119 PolarHBondContact O-N 2.83Å; P117-A119 VanDerWaalsContact C-N 3.33Å; A119-E121 VanDerWaalsContact C-N 3.33Å |
| 120 | A | 60.9 | Low | 64 | Low | 86 Ų | 86 | 113.8 Ų | 113.8 | 71% | 0.711 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -79.3 | -14.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q118 K122 | Q118-A120 VanDerWaalsContact C-N 3.25Å; Q118-A120 PolarHBondContact O-N 3.33Å; A120-K122 PolarHBondContact O-N 3.46Å; A120-K122 VanDerWaalsContact O-N 3.13Å |
| 121 | E | 59.3 | Low | 63.9 | Low | 152 Ų | 152 | 115 Ų | 115 | 71% | 0.71 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -75.1 | 103.4 | 172.3 | -66.4 | -171 | 174.6 | 0 | 0 | 108.7 | Q118 A119 | Q118-E121 PolarHBondContact O-N 2.81Å; A119-E121 VanDerWaalsContact C-N 3.33Å |
| 122 | K | 60.7 | Low | 63.8 | Low | 186 Ų | 186 | 114.3 Ų | 114.3 | 81% | 0.809 | 61% | 0.606 | S | S | * | * | trans | -52.3 | 128.5 | 164.8 | -68.9 | 179.6 | -179.8 | 177.3 | 0 | 107.1 | A120 I124 | A120-K122 PolarHBondContact O-N 3.46Å; A120-K122 VanDerWaalsContact O-N 3.13Å; K122-I124 PolarHBondContact O-N 3.39Å | ||
| 123 | P | 61.3 | Low | 63.7 | Low | 116 Ų | 116 | 115.3 Ų | 115.3 | 75% | 0.753 | 62% | 0.622 | S | S | * | * | trans | -56 | 113.8 | 174.5 | 24.6 | -32.4 | 0 | 0 | 0 | 106.4 | E125 | P123-E125 PolarHBondContact O-N 3.43Š| ||
| 124 | I | 60.4 | Low | 64 | Low | 148 Ų | 148 | 116.6 Ų | 116.6 | 76% | 0.759 | 64% | 0.637 | S | S | * | * | trans | -53.6 | 120.7 | 177.5 | -52 | 171.8 | 0 | 0 | 0 | 105.2 | K122 V126 | K122-I124 PolarHBondContact O-N 3.39Å; I124-V126 HydrophobicContact CB-CG2 3.92Å; I124-V126 HydrophobicContact CG2-CG2 3.34Å; I124-V126 PolarHBondContact O-N 3.45Å | ||
| 125 | E | 58.2 | Low | 63.7 | Low | 164 Ų | 164 | 114.9 Ų | 114.9 | 77% | 0.766 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | 51.7 | -177.4 | -65.1 | 179 | 163.9 | 0 | 0 | 112 | P123 | P123-E125 PolarHBondContact O-N 3.43Š|
| 126 | V | 58.6 | Low | 64.1 | Low | 99 Ų | 99 | 115.1 Ų | 115.1 | 60% | 0.6 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -21.1 | 176.1 | -166.1 | 0 | 0 | 0 | 0 | 110.2 | I124 N128 | I124-V126 HydrophobicContact CB-CG2 3.92Å; I124-V126 HydrophobicContact CG2-CG2 3.34Å; I124-V126 PolarHBondContact O-N 3.45Å; V126-N128 PolarHBondContact O-N 3.24Å |
| 127 | G | 57.5 | Low | 64.6 | Low | 51 Ų | 51 | 121.7 Ų | 121.7 | 53% | 0.526 | 68% | 0.676 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.9 | -25.7 | -178 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 128 | N | 59.7 | Low | 65.1 | Low | 112 Ų | 112 | 124.1 Ų | 124.1 | 60% | 0.599 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | 0.8 | -172.4 | -76.4 | -6 | 0 | 0 | 0 | 115.2 | V126 | V126-N128 PolarHBondContact O-N 3.24Š|
| 129 | K | 63.4 | Low | 66 | Low | 156 Ų | 156 | 128.2 Ų | 128.2 | 68% | 0.678 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -28.3 | -173.8 | -70.5 | -174.2 | -175.9 | -179.5 | 0 | 115.1 | ||
| 130 | Y | 65.1 | Low | 67 | Low | 192 Ų | 192 | 131.9 Ų | 131.9 | 75% | 0.753 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.6 | -21.8 | -173.3 | -61.1 | -74.7 | 0 | 0 | 0 | 114.6 | ||
| 131 | F | 68.4 | Low | 67.7 | Low | 189 Ų | 189 | 135.7 Ų | 135.7 | 83% | 0.829 | 72% | 0.715 | S | S | * | * | trans | -141.9 | 60.1 | -175.7 | -57.9 | -76 | 0 | 0 | 0 | 111.3 | ||||
| 132 | S | 70.5 | Confident | 68.5 | Low | 21 Ų | 21 | 133.4 Ų | 133.4 | 15% | 0.147 | 72% | 0.716 | C | S | . | * | trans | -100.2 | 142 | 170.6 | 103.7 | 0 | 0 | 0 | 0 | 109.6 | T134 C135 | S132-T134 PolarHBondContact O-N 3.41Å; S132-T134 VanDerWaalsContact O-N 3.16Å; S132-T134 PolarHBondContact OG-N 3.07Å; S132-C135 PolarHBondContact O-N 3.23Å; S132-C135 WeakPolarHBondContact OG-CB 3.31Å; S132-C135 PolarHBondContact OG-N 3.31Å; S132-C135 PolarHBondContact OG-SG 3.28Å | ||
| 133 | S | 73.6 | Confident | 69.1 | Low | 134 Ų | 134 | 134.2 Ų | 134.2 | 94% | 0.937 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -17.7 | 174.9 | 43.8 | 0 | 0 | 0 | 0 | 113.1 | ||
| 134 | T | 77 | Confident | 69.2 | Low | 130 Ų | 130 | 136.3 Ų | 136.3 | 80% | 0.798 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -19.7 | 179.7 | -42.9 | 0 | 0 | 0 | 0 | 112.8 | S132 | S132-T134 PolarHBondContact O-N 3.41Å; S132-T134 VanDerWaalsContact O-N 3.16Å; S132-T134 PolarHBondContact OG-N 3.07Å |
| 135 | C | 66.6 | Low | 69.4 | Low | 82 Ų | 82 | 139.2 Ų | 139.2 | 55% | 0.554 | 73% | 0.729 | S | S | * | * | trans | -97.1 | 103.7 | -177.1 | -68.6 | 0 | 0 | 0 | 0 | 110.5 | S132 | S132-C135 PolarHBondContact O-N 3.23Å; S132-C135 WeakPolarHBondContact OG-CB 3.31Å; S132-C135 PolarHBondContact OG-N 3.31Å; S132-C135 PolarHBondContact OG-SG 3.28Å | ||
| 136 | G | 72.5 | Confident | 69.7 | Low | 68 Ų | 68 | 138.5 Ų | 138.5 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 164.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 137 | F | 77.1 | Confident | 69.8 | Low | 209 Ų | 209 | 137.2 Ų | 137.2 | 92% | 0.917 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 132 | 174.7 | -63.6 | -83 | 0 | 0 | 0 | 111.4 | ||
| 138 | T | 74.9 | Confident | 69.2 | Low | 128 Ų | 128 | 145.3 Ų | 145.3 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 126 | 168.7 | 52.7 | 0 | 0 | 0 | 0 | 110.1 | I140 | T138-I140 PolarHBondContact O-N 3.15Š|
| 139 | K | 81.1 | Confident | 69.7 | Low | 192 Ų | 192 | 147 Ų | 147 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | trans | -80.2 | 105.7 | 172.4 | -177 | -179.7 | 179.4 | -178.6 | 0 | 108.7 | Q141 | K139-Q141 PolarHBondContact O-N 3.35Š| ||
| 140 | I | 79.9 | Confident | 70 | Confident | 154 Ų | 154 | 146.5 Ų | 146.5 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | -73.6 | 113.1 | 172.9 | -57 | 172.8 | 0 | 0 | 0 | 107.8 | T138 | T138-I140 PolarHBondContact O-N 3.15Š| ||
| 141 | Q | 77 | Confident | 70.3 | Confident | 166 Ų | 166 | 143.9 Ų | 143.9 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -76.7 | 122.4 | 169.5 | -65.5 | -152.3 | 57.6 | 0 | 0 | 109.2 | K139 K143 | K139-Q141 PolarHBondContact O-N 3.35Å; Q141-K143 PolarHBondContact O-N 3.45Å | ||
| 142 | S | 74.9 | Confident | 70.4 | Confident | 105 Ų | 105 | 141.3 Ų | 141.3 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | trans | -59.5 | 123.4 | 169.9 | 169.9 | 0 | 0 | 0 | 0 | 109.3 | M144 | S142-M144 PolarHBondContact O-N 2.82Š| ||
| 143 | K | 74.3 | Confident | 70.4 | Confident | 203 Ų | 203 | 148.8 Ų | 148.8 | 88% | 0.883 | 83% | 0.83 | S | S | * | * | trans | -68.8 | 102.1 | 165.4 | -72 | -160.5 | 178.3 | -172.5 | 0 | 107.6 | Q141 K145 | Q141-K143 PolarHBondContact O-N 3.45Å; K143-K145 PolarHBondContact O-N 3.23Å; K143-K145 VanDerWaalsContact O-N 3.15Å | ||
| 144 | M | 61.9 | Low | 70.2 | Confident | 160 Ų | 160 | 149.8 Ų | 149.8 | 79% | 0.788 | 82% | 0.823 | S | S | * | * | trans | -59.3 | 116.6 | 165.1 | -74.4 | 174.8 | 66.3 | 0 | 0 | 108.2 | S142 N146 | S142-M144 PolarHBondContact O-N 2.82Å; M144-N146 PolarHBondContact O-N 3.17Å | ||
| 145 | K | 65.1 | Low | 69.7 | Low | 208 Ų | 208 | 151.2 Ų | 151.2 | 90% | 0.904 | 82% | 0.824 | S | S | * | * | trans | -63.4 | 108 | 164.2 | -92.6 | 178.2 | 167.9 | 178.4 | 0 | 107.3 | K143 G147 | K143-K145 PolarHBondContact O-N 3.23Å; K143-K145 VanDerWaalsContact O-N 3.15Å; K145-G147 PolarHBondContact O-N 2.69Å | ||
| 146 | N | 64 | Low | 69.9 | Low | 150 Ų | 150 | 156.5 Ų | 156.5 | 80% | 0.802 | 85% | 0.845 | S | S | * | * | trans | -77.3 | 106.1 | 160.2 | -71.8 | -7.2 | 0 | 0 | 0 | 106.9 | M144 | M144-N146 PolarHBondContact O-N 3.17Š| ||
| 147 | G | 62.1 | Low | 69.7 | Low | 71 Ų | 71 | 163.9 Ų | 163.9 | 73% | 0.732 | 86% | 0.857 | S | S | * | * | trans | -70.6 | 146.9 | 160.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | K145 | K145-G147 PolarHBondContact O-N 2.69Š| ||
| 148 | V | 44 | Very low | 69 | Low | 221 Ų | 221 | 159.8 Ų | 159.8 | 100% | 1.339 | 85% | 0.852 | S | S | * | * | trans | -63.4 | 0 | 159 | 177.3 | 0 | 0 | 0 | 0 | 109 |
Retrieved 148 of 148 residues in 165.1 ms
(Link to these results)