| 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 | 59.5 | Low | 79 | Confident | 243 Ų | 243 | 152.3 Ų | 152.3 | 100% | 1.197 | 83% | 0.832 | S | S | * | * | 0 | 122.5 | 0 | -75 | 175 | 177.6 | 0 | 0 | 107.6 | |||||
| 2 | A | 76 | Confident | 80.2 | Confident | 101 Ų | 101 | 149.9 Ų | 149.9 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 135.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 3 | F | 74.8 | Confident | 81.3 | Confident | 196 Ų | 196 | 144 Ų | 144 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 139.2 | 178.2 | -77.7 | -87.2 | 0 | 0 | 0 | 110.9 | R5 | F3-R5 PolarHBondContact O-N 3.22Š|
| 4 | P | 79.8 | Confident | 82.3 | Confident | 122 Ų | 122 | 140.1 Ų | 140.1 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 129.2 | 173.2 | -19.8 | 30.6 | 0 | 0 | 0 | 110 | V6 | P4-V6 PolarHBondContact O-N 3.11Š|
| 5 | R | 78.3 | Confident | 83.1 | Confident | 241 Ų | 241 | 139.3 Ų | 139.3 | 91% | 0.909 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 133.2 | 174.5 | -72.3 | -177.3 | 168.2 | 171.5 | -3.7 | 109 | F3 K7 | F3-R5 PolarHBondContact O-N 3.22Å; R5-K7 PolarHBondContact O-N 2.64Å |
| 6 | V | 83.2 | Confident | 83.9 | Confident | 138 Ų | 138 | 134 Ų | 134 | 84% | 0.836 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -59 | 138 | 174.8 | 91.1 | 0 | 0 | 0 | 0 | 108.6 | P4 | P4-V6 PolarHBondContact O-N 3.11Š|
| 7 | K | 80.8 | Confident | 84.7 | Confident | 188 Ų | 188 | 133 Ų | 133 | 82% | 0.817 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 138.1 | 173.8 | -71.4 | -177.2 | 179.2 | 179.3 | 0 | 108.3 | R5 | R5-K7 PolarHBondContact O-N 2.64Š|
| 8 | P | 80.4 | Confident | 85.4 | Confident | 118 Ų | 118 | 128.8 Ų | 128.8 | 77% | 0.766 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 146 | 171.7 | -21.5 | 31.6 | 0 | 0 | 0 | 110 | ||
| 9 | A | 81.9 | Confident | 86 | Confident | 90 Ų | 90 | 127.1 Ų | 127.1 | 74% | 0.744 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 141.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 10 | P | 85.3 | Confident | 86.6 | Confident | 105 Ų | 105 | 126.3 Ų | 126.3 | 68% | 0.682 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 147.4 | 172.4 | -22.3 | 33.1 | 0 | 0 | 0 | 111.1 | E12 | P10-E12 PolarHBondContact O-N 2.81Š|
| 11 | D | 89.1 | Confident | 87 | Confident | 133 Ų | 133 | 126.4 Ų | 126.4 | 71% | 0.711 | 69% | 0.686 | S | S | * | * | trans | -72.7 | 113.5 | 169.1 | -178.3 | 5 | 0 | 0 | 0 | 109.1 | T13 | D11-T13 VanDerWaalsContact OD1-CB 3.22Å; D11-T13 WeakPolarHBondContact OD1-CB 3.38Å; D11-T13 PolarHBondContact OD1-N 3.02Å; D11-T13 PolarHBondContact OD1-OG1 3.2Å | ||
| 12 | E | 93.4 | Very high | 88.8 | Confident | 124 Ų | 124 | 121.9 Ų | 121.9 | 58% | 0.579 | 66% | 0.656 | S | S | * | * | trans | -101.9 | 13.1 | -178.1 | -61.4 | -171.3 | 152.3 | 0 | 0 | 112.7 | P10 S14 F15 S16 | P10-E12 PolarHBondContact O-N 2.81Å; E12-S14 PolarHBondContact O-N 2.78Å; E12-F15 PolarHBondContact O-N 3.21Å; E12-S16 WeakPolarHBondContact O-CB 3.35Å; E12-S16 PolarHBondContact O-N 3.48Å; E12-S16 PolarHBondContact O-OG 2.9Å | ||
| 13 | T | 94.9 | Very high | 89.6 | Confident | 73 Ų | 73 | 122.2 Ų | 122.2 | 45% | 0.448 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -58.7 | -52.4 | -176.1 | -57 | 0 | 0 | 0 | 0 | 111.4 | D11 F15 S16 E17 | D11-T13 VanDerWaalsContact OD1-CB 3.22Å; D11-T13 WeakPolarHBondContact OD1-CB 3.38Å; D11-T13 PolarHBondContact OD1-N 3.02Å; D11-T13 PolarHBondContact OD1-OG1 3.2Å; T13-F15 VanDerWaalsContact C-N 3.28Å; T13-F15 PolarHBondContact O-N 3.3Å; T13-S16 WeakPolarHBondContact O-CB 3.48Å; T13-S16 PolarHBondContact O-N 3.28Å; T13-S16 VanDerWaalsContact O-N 3.15Å; T13-E17 HydrophobicContact CG2-CG 4.47Å; T13-E17 WeakPolarHBondContact O-CG 3.35Å; T13-E17 PolarHBondContact O-N 3.44Å |
| 14 | S | 94.7 | Very high | 90.5 | Very high | 89 Ų | 89 | 119.7 Ų | 119.7 | 62% | 0.622 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -63.7 | -33 | -179.1 | -54.6 | 0 | 0 | 0 | 0 | 113.2 | E12 A18 | E12-S14 PolarHBondContact O-N 2.78Å; S14-A18 WeakPolarHBondContact O-CB 3.41Å; S14-A18 PolarHBondContact O-N 2.97Å |
| 15 | F | 94.6 | Very high | 91.2 | Very high | 129 Ų | 129 | 118 Ų | 118 | 57% | 0.566 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -68.5 | -45.3 | 175.1 | 177.1 | -112 | 0 | 0 | 0 | 110.8 | E12 T13 E17 A18 L19 | E12-F15 PolarHBondContact O-N 3.21Å; T13-F15 VanDerWaalsContact C-N 3.28Å; T13-F15 PolarHBondContact O-N 3.3Å; F15-E17 PolarHBondContact O-N 3.42Å; F15-A18 PolarHBondContact O-N 3.02Å; F15-L19 HydrophobicContact CD1-CD1 4.08Å; F15-L19 HydrophobicContact CE1-CD1 3.53Å; F15-L19 HydrophobicContact CE1-CG 4.25Å; F15-L19 HydrophobicContact CE2-CD1 4.4Å; F15-L19 HydrophobicContact CE2-CD2 4.34Å; F15-L19 HydrophobicContact CE2-CG 4.3Å; F15-L19 HydrophobicContact CZ-CD1 3.71Å; F15-L19 HydrophobicContact CZ-CD2 4.2Å; F15-L19 HydrophobicContact CZ-CG 4.08Å; F15-L19 WeakPolarHBondContact O-CG 3.34Å; F15-L19 PolarHBondContact O-N 3.08Å |
| 16 | S | 96.1 | Very high | 92 | Very high | 54 Ų | 54 | 109.9 Ų | 109.9 | 38% | 0.378 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -60.5 | -44 | 176.4 | -58.5 | 0 | 0 | 0 | 0 | 111.8 | E12 T13 A18 L19 L20 | E12-S16 WeakPolarHBondContact O-CB 3.35Å; E12-S16 PolarHBondContact O-N 3.48Å; E12-S16 PolarHBondContact O-OG 2.9Å; T13-S16 WeakPolarHBondContact O-CB 3.48Å; T13-S16 PolarHBondContact O-N 3.28Å; T13-S16 VanDerWaalsContact O-N 3.15Å; S16-A18 PolarHBondContact O-N 3.38Å; S16-L19 PolarHBondContact O-N 3.47Å; S16-L20 WeakPolarHBondContact O-CG 3.32Å; S16-L20 PolarHBondContact O-N 3.22Å |
| 17 | E | 97.2 | Very high | 92.4 | Very high | 117 Ų | 117 | 105.1 Ų | 105.1 | 55% | 0.547 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -60.4 | -42.6 | 174.9 | -72.3 | 174.9 | 168.2 | 0 | 0 | 112.2 | T13 F15 L19 L20 K21 | T13-E17 HydrophobicContact CG2-CG 4.47Å; T13-E17 WeakPolarHBondContact O-CG 3.35Å; T13-E17 PolarHBondContact O-N 3.44Å; F15-E17 PolarHBondContact O-N 3.42Å; E17-L19 PolarHBondContact O-N 3.44Å; E17-L20 PolarHBondContact O-N 3.48Å; E17-K21 WeakPolarHBondContact O-CB 3.46Å; E17-K21 PolarHBondContact O-N 2.92Å |
| 18 | A | 97.3 | Very high | 93.1 | Very high | 57 Ų | 57 | 97 Ų | 97 | 47% | 0.471 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.7 | -39.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S14 F15 S16 R22 | S14-A18 WeakPolarHBondContact O-CB 3.41Å; S14-A18 PolarHBondContact O-N 2.97Å; F15-A18 PolarHBondContact O-N 3.02Å; S16-A18 PolarHBondContact O-N 3.38Å; A18-R22 WeakPolarHBondContact O-CB 3.34Å; A18-R22 PolarHBondContact O-N 2.98Å |
| 19 | L | 97.5 | Very high | 93.7 | Very high | 97 Ų | 97 | 95.2 Ų | 95.2 | 51% | 0.508 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.4 | -44.3 | 175 | -69.2 | -179.6 | 0 | 0 | 0 | 112 | F15 S16 E17 R22 N23 | F15-L19 HydrophobicContact CD1-CD1 4.08Å; F15-L19 HydrophobicContact CE1-CD1 3.53Å; F15-L19 HydrophobicContact CE1-CG 4.25Å; F15-L19 HydrophobicContact CE2-CD1 4.4Å; F15-L19 HydrophobicContact CE2-CD2 4.34Å; F15-L19 HydrophobicContact CE2-CG 4.3Å; F15-L19 HydrophobicContact CZ-CD1 3.71Å; F15-L19 HydrophobicContact CZ-CD2 4.2Å; F15-L19 HydrophobicContact CZ-CG 4.08Å; F15-L19 WeakPolarHBondContact O-CG 3.34Å; F15-L19 PolarHBondContact O-N 3.08Å; S16-L19 PolarHBondContact O-N 3.47Å; E17-L19 PolarHBondContact O-N 3.44Å; L19-R22 PolarHBondContact O-N 3.38Å; L19-N23 WeakPolarHBondContact O-CB 3.25Å; L19-N23 PolarHBondContact O-N 3.34Å |
| 20 | L | 96.8 | Very high | 94.3 | Very high | 110 Ų | 110 | 95.8 Ų | 95.8 | 58% | 0.576 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.2 | -45.1 | 177.4 | -72.5 | 173.1 | 0 | 0 | 0 | 111.3 | S16 E17 N23 Q24 | S16-L20 WeakPolarHBondContact O-CG 3.32Å; S16-L20 PolarHBondContact O-N 3.22Å; E17-L20 PolarHBondContact O-N 3.48Å; L20-N23 WeakPolarHBondContact O-CB 3.39Å; L20-N23 PolarHBondContact O-N 3.48Å; L20-Q24 WeakPolarHBondContact O-CG 3.41Å; L20-Q24 PolarHBondContact O-N 2.75Å |
| 21 | K | 96.6 | Very high | 94.6 | Very high | 130 Ų | 130 | 94.2 Ų | 94.2 | 57% | 0.565 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.5 | -46.4 | 175.2 | -177.3 | 173.5 | -179.4 | 175 | 0 | 111.4 | E17 N23 Q24 D25 | E17-K21 WeakPolarHBondContact O-CB 3.46Å; E17-K21 PolarHBondContact O-N 2.92Å; K21-N23 VanDerWaalsContact C-N 3.28Å; K21-N23 PolarHBondContact O-N 3.49Å; K21-Q24 WeakPolarHBondContact O-CB 3.31Å; K21-Q24 PolarHBondContact O-N 3.41Å; K21-Q24 VanDerWaalsContact O-N 3.15Å; K21-D25 WeakPolarHBondContact O-CB 3.46Å; K21-D25 PolarHBondContact O-N 3.47Å |
| 22 | R | 96.5 | Very high | 94.8 | Very high | 148 Ų | 148 | 89 Ų | 89 | 56% | 0.558 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.4 | -36.2 | 179 | -173.8 | 57.8 | 173.9 | 151.8 | 0.8 | 112.3 | A18 L19 L26 | A18-R22 WeakPolarHBondContact O-CB 3.34Å; A18-R22 PolarHBondContact O-N 2.98Å; L19-R22 PolarHBondContact O-N 3.38Å; R22-L26 HydrophobicContact CG-CD1 4.11Å; R22-L26 WeakPolarHBondContact O-CB 3.35Å; R22-L26 VanDerWaalsContact O-CG 3.22Å; R22-L26 WeakPolarHBondContact O-CG 3.16Å; R22-L26 PolarHBondContact O-N 3.28Å |
| 23 | N | 93.4 | Very high | 94.8 | Very high | 108 Ų | 108 | 88.2 Ų | 88.2 | 58% | 0.578 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.4 | -49.5 | 173.3 | -175.9 | -21.2 | 0 | 0 | 0 | 110.8 | L19 L20 K21 D25 L26 A27 | L19-N23 WeakPolarHBondContact O-CB 3.25Å; L19-N23 PolarHBondContact O-N 3.34Å; L20-N23 WeakPolarHBondContact O-CB 3.39Å; L20-N23 PolarHBondContact O-N 3.48Å; K21-N23 VanDerWaalsContact C-N 3.28Å; K21-N23 PolarHBondContact O-N 3.49Å; N23-D25 VanDerWaalsContact C-N 3.31Å; N23-D25 PolarHBondContact O-N 2.9Å; N23-L26 PolarHBondContact O-N 2.97Å; N23-L26 VanDerWaalsContact O-N 3.07Å; N23-A27 WeakPolarHBondContact O-CB 3.49Å; N23-A27 PolarHBondContact O-N 2.71Å |
| 24 | Q | 93.7 | Very high | 94.7 | Very high | 143 Ų | 143 | 87.5 Ų | 87.5 | 67% | 0.668 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -58.5 | -42 | 176.8 | -70.4 | 172.5 | -2.2 | 0 | 0 | 112.5 | L20 K21 L26 A27 | L20-Q24 WeakPolarHBondContact O-CG 3.41Å; L20-Q24 PolarHBondContact O-N 2.75Å; K21-Q24 WeakPolarHBondContact O-CB 3.31Å; K21-Q24 PolarHBondContact O-N 3.41Å; K21-Q24 VanDerWaalsContact O-N 3.15Å; Q24-L26 PolarHBondContact O-N 2.77Å; Q24-A27 PolarHBondContact O-N 3.03Å |
| 25 | D | 94.3 | Very high | 94.6 | Very high | 87 Ų | 87 | 86.4 Ų | 86.4 | 47% | 0.465 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.6 | -23.5 | 178.5 | -67.2 | -19.7 | 0 | 0 | 0 | 112.9 | K21 N23 T77 | K21-D25 WeakPolarHBondContact O-CB 3.46Å; K21-D25 PolarHBondContact O-N 3.47Å; N23-D25 VanDerWaalsContact C-N 3.31Å; N23-D25 PolarHBondContact O-N 2.9Å; D25-T77 VanDerWaalsContact O-CG2 3.31Å; D25-T77 WeakPolarHBondContact O-CG2 3.45Å |
| 26 | L | 94.7 | Very high | 94.6 | Very high | 70 Ų | 70 | 80.8 Ų | 80.8 | 37% | 0.366 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -97.6 | -23.3 | 179.6 | -70 | 174.7 | 0 | 0 | 0 | 112.8 | R22 N23 Q24 T76 T77 | R22-L26 HydrophobicContact CG-CD1 4.11Å; R22-L26 WeakPolarHBondContact O-CB 3.35Å; R22-L26 VanDerWaalsContact O-CG 3.22Å; R22-L26 WeakPolarHBondContact O-CG 3.16Å; R22-L26 PolarHBondContact O-N 3.28Å; N23-L26 PolarHBondContact O-N 2.97Å; N23-L26 VanDerWaalsContact O-N 3.07Å; Q24-L26 PolarHBondContact O-N 2.77Å; L26-T76 CarbonylContact O-C 3.59Å; L26-T76 VanDerWaalsContact O-CA 3.23Å; L26-T76 WeakPolarHBondContact O-CA 3.33Å; L26-T77 PolarHBondContact O-N 2.95Å |
| 27 | A | 92.2 | Very high | 94.5 | Very high | 38 Ų | 38 | 82.5 Ų | 82.5 | 31% | 0.314 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -70.5 | 138.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | N23 Q24 N29 | N23-A27 WeakPolarHBondContact O-CB 3.49Å; N23-A27 PolarHBondContact O-N 2.71Å; Q24-A27 PolarHBondContact O-N 3.03Å; A27-N29 PolarHBondContact O-N 2.92Å |
| 28 | P | 94.4 | Very high | 94.3 | Very high | 17 Ų | 17 | 79.6 Ų | 79.6 | 11% | 0.11 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 137.6 | 174.1 | -16.9 | 28.2 | 0 | 0 | 0 | 110.1 | E32 Q33 M75 | P28-E32 WeakPolarHBondContact CA-OE2 3.39Å; P28-E32 HydrophobicContact CB-CB 4.16Å; P28-Q33 HydrophobicContact CB-CG 4.02Å; P28-Q33 PolarHBondContact O-NE2 3.45Å; P28-M75 WeakPolarHBondContact CD-O 3.47Å; P28-M75 HydrophobicContact CG-CB 3.69Å; P28-M75 WeakPolarHBondContact CG-O 3.37Å |
| 29 | N | 93.8 | Very high | 94.1 | Very high | 81 Ų | 81 | 80.1 Ų | 80.1 | 43% | 0.433 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 166.8 | 177.4 | 70.8 | 56.4 | 0 | 0 | 0 | 111.4 | A27 A31 E32 Q33 | A27-N29 PolarHBondContact O-N 2.92Å; N29-A31 PolarHBondContact O-N 3.48Å; N29-A31 WeakPolarHBondContact OD1-CA 3.48Å; N29-A31 WeakPolarHBondContact OD1-CB 3.39Å; N29-A31 PolarHBondContact OD1-N 3.39Å; N29-E32 PolarHBondContact N-OE2 3.23Å; N29-E32 WeakPolarHBondContact ND2-CG 3.36Å; N29-E32 PolarHBondContact ND2-OE2 3.5Å; N29-E32 WeakPolarHBondContact O-CB 3.36Å; N29-E32 PolarHBondContact O-N 3.44Å; N29-E32 VanDerWaalsContact O-N 3.16Å; N29-E32 WeakPolarHBondContact OD1-CG 3.32Å; N29-E32 PolarHBondContact OD1-N 3.06Å; N29-Q33 WeakPolarHBondContact O-CG 3.5Å; N29-Q33 PolarHBondContact O-N 3.49Å |
| 30 | S | 92.9 | Very high | 94 | Very high | 102 Ų | 102 | 75.8 Ų | 75.8 | 71% | 0.713 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -60.8 | -31.4 | -176.1 | -54.7 | 0 | 0 | 0 | 0 | 113.9 | A34 | S30-A34 VanDerWaalsContact O-CB 3.3Å; S30-A34 WeakPolarHBondContact O-CB 3.24Å; S30-A34 PolarHBondContact O-N 2.92Å |
| 31 | A | 93.5 | Very high | 93.9 | Very high | 72 Ų | 72 | 73.6 Ų | 73.6 | 60% | 0.595 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -71.3 | -41 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | N29 A34 S35 | N29-A31 PolarHBondContact O-N 3.48Å; N29-A31 WeakPolarHBondContact OD1-CA 3.48Å; N29-A31 WeakPolarHBondContact OD1-CB 3.39Å; N29-A31 PolarHBondContact OD1-N 3.39Å; A31-A34 PolarHBondContact O-N 2.87Å; A31-S35 PolarHBondContact O-N 3.38Å; A31-S35 PolarHBondContact O-OG 2.85Å |
| 32 | E | 93 | Very high | 93.8 | Very high | 24 Ų | 24 | 69.5 Ų | 69.5 | 11% | 0.112 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 174.4 | -67.5 | -177.2 | 123.9 | 0 | 0 | 112.1 | P28 N29 S35 I36 T77 G78 N80 | P28-E32 WeakPolarHBondContact CA-OE2 3.39Å; P28-E32 HydrophobicContact CB-CB 4.16Å; N29-E32 PolarHBondContact N-OE2 3.23Å; N29-E32 WeakPolarHBondContact ND2-CG 3.36Å; N29-E32 PolarHBondContact ND2-OE2 3.5Å; N29-E32 WeakPolarHBondContact O-CB 3.36Å; N29-E32 PolarHBondContact O-N 3.44Å; N29-E32 VanDerWaalsContact O-N 3.16Å; N29-E32 WeakPolarHBondContact OD1-CG 3.32Å; N29-E32 PolarHBondContact OD1-N 3.06Å; E32-S35 PolarHBondContact O-OG 3.39Å; E32-I36 WeakPolarHBondContact O-CB 3.4Å; E32-I36 WeakPolarHBondContact O-CG1 3.34Å; E32-I36 PolarHBondContact O-N 2.8Å; E32-T77 PolarHBondContact OE2-OG1 3.32Å; E32-G78 PolarHBondContact OE1-N 3.39Å; E32-N80 WeakPolarHBondContact CB-OD1 3.31Å; E32-N80 VanDerWaalsContact CG-ND2 3.26Å; E32-N80 WeakPolarHBondContact CG-ND2 3.29Å; E32-N80 PolarHBondContact OE1-ND2 2.98Å; E32-N80 PolarHBondContact OE1-OD1 3.07Å |
| 33 | Q | 91.9 | Very high | 93.7 | Very high | 107 Ų | 107 | 64 Ų | 64 | 50% | 0.5 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.9 | -44 | 176.7 | -66.6 | 180 | 14.7 | 0 | 0 | 111.5 | P28 N29 L37 | P28-Q33 HydrophobicContact CB-CG 4.02Å; P28-Q33 PolarHBondContact O-NE2 3.45Å; N29-Q33 WeakPolarHBondContact O-CG 3.5Å; N29-Q33 PolarHBondContact O-N 3.49Å; Q33-L37 VanDerWaalsContact O-CB 3.26Å; Q33-L37 WeakPolarHBondContact O-CB 3.38Å; Q33-L37 PolarHBondContact O-N 3.29Å |
| 34 | A | 93.8 | Very high | 93.8 | Very high | 58 Ų | 58 | 59.6 Ų | 59.6 | 48% | 0.479 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.2 | -41.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S30 A31 L37 S38 | S30-A34 VanDerWaalsContact O-CB 3.3Å; S30-A34 WeakPolarHBondContact O-CB 3.24Å; S30-A34 PolarHBondContact O-N 2.92Å; A31-A34 PolarHBondContact O-N 2.87Å; A34-L37 PolarHBondContact O-N 3.21Å; A34-S38 WeakPolarHBondContact O-CB 3.43Å; A34-S38 PolarHBondContact O-N 2.96Å |
| 35 | S | 92.8 | Very high | 93.8 | Very high | 65 Ų | 65 | 56.6 Ų | 56.6 | 46% | 0.455 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.3 | -45.4 | 179.4 | 61.6 | 0 | 0 | 0 | 0 | 111.8 | A31 E32 S38 L39 | A31-S35 PolarHBondContact O-N 3.38Å; A31-S35 PolarHBondContact O-OG 2.85Å; E32-S35 PolarHBondContact O-OG 3.39Å; S35-S38 PolarHBondContact O-N 2.96Å; S35-L39 PolarHBondContact O-N 3.26Å |
| 36 | I | 94.1 | Very high | 93.8 | Very high | 11 Ų | 11 | 52.6 Ų | 52.6 | 6% | 0.056 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62 | -47.6 | 175.8 | -75.5 | -95.2 | 0 | 0 | 0 | 111.5 | E32 S38 L39 V40 Y70 M75 N80 A82 | E32-I36 WeakPolarHBondContact O-CB 3.4Å; E32-I36 WeakPolarHBondContact O-CG1 3.34Å; E32-I36 PolarHBondContact O-N 2.8Å; I36-S38 VanDerWaalsContact C-N 3.29Å; I36-S38 PolarHBondContact O-N 3.5Å; I36-L39 PolarHBondContact O-N 2.96Å; I36-V40 HydrophobicContact CG2-CG2 4.3Å; I36-V40 WeakPolarHBondContact O-CB 3.38Å; I36-V40 VanDerWaalsContact O-CG2 3.26Å; I36-V40 WeakPolarHBondContact O-CG2 3.4Å; I36-V40 PolarHBondContact O-N 3.04Å; I36-Y70 HydrophobicContact CG2-CD2 3.36Å; I36-Y70 HydrophobicContact CG2-CE2 3.45Å; I36-Y70 VanDerWaalsContact CG2-CE2 3.45Å; I36-Y70 HydrophobicContact CG2-CG 4.27Å; I36-M75 HydrophobicContact CB-CE 4.41Å; I36-M75 HydrophobicContact CD1-CE 3.96Å; I36-M75 HydrophobicContact CG1-CE 3.91Å; I36-M75 HydrophobicContact CG2-CE 4.2Å; I36-M75 HydrophobicContact CG2-SD 4.22Å; I36-N80 HydrophobicContact CD1-CB 3.79Å; I36-N80 WeakPolarHBondContact CD1-O 3.4Å; I36-N80 HydrophobicContact CG1-CB 3.76Å; I36-A82 HydrophobicContact CD1-CB 4.49Å; I36-A82 HydrophobicContact CG2-CB 4.12Å |
| 37 | L | 94.1 | Very high | 93.8 | Very high | 91 Ų | 91 | 49.5 Ų | 49.5 | 48% | 0.476 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.7 | -46.1 | 178.2 | 175.8 | 61.4 | 0 | 0 | 0 | 110.7 | Q33 A34 V40 T41 Y70 | Q33-L37 VanDerWaalsContact O-CB 3.26Å; Q33-L37 WeakPolarHBondContact O-CB 3.38Å; Q33-L37 PolarHBondContact O-N 3.29Å; A34-L37 PolarHBondContact O-N 3.21Å; L37-V40 PolarHBondContact O-N 3.38Å; L37-T41 WeakPolarHBondContact O-CB 3.37Å; L37-T41 PolarHBondContact O-N 3.33Å; L37-T41 PolarHBondContact O-OG1 3.06Å; L37-Y70 WeakPolarHBondContact CD1-OH 3.45Å |
| 38 | S | 93.4 | Very high | 94 | Very high | 56 Ų | 56 | 51.1 Ų | 51.1 | 39% | 0.392 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.2 | -51.2 | 178.6 | -170.2 | 0 | 0 | 0 | 0 | 111.7 | A34 S35 I36 V40 T41 K42 | A34-S38 WeakPolarHBondContact O-CB 3.43Å; A34-S38 PolarHBondContact O-N 2.96Å; S35-S38 PolarHBondContact O-N 2.96Å; I36-S38 VanDerWaalsContact C-N 3.29Å; I36-S38 PolarHBondContact O-N 3.5Å; S38-V40 PolarHBondContact O-N 3.49Å; S38-T41 PolarHBondContact O-N 3.41Å; S38-K42 WeakPolarHBondContact O-CG 3.3Å; S38-K42 PolarHBondContact O-N 3.34Å |
| 39 | L | 93.4 | Very high | 93.9 | Very high | 68 Ų | 68 | 55 Ų | 55 | 36% | 0.356 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.1 | -46.6 | 180 | 179.7 | 61 | 0 | 0 | 0 | 111.9 | S35 I36 T41 K42 I43 E115 | S35-L39 PolarHBondContact O-N 3.26Å; I36-L39 PolarHBondContact O-N 2.96Å; L39-T41 VanDerWaalsContact C-N 3.31Å; L39-T41 PolarHBondContact O-N 2.97Å; L39-K42 PolarHBondContact O-N 3.33Å; L39-I43 HydrophobicContact CD1-CD1 3.86Å; L39-I43 HydrophobicContact CD1-CG1 4.28Å; L39-I43 HydrophobicContact CG-CD1 3.88Å; L39-I43 WeakPolarHBondContact O-CG1 3.5Å; L39-I43 PolarHBondContact O-N 2.97Å; L39-E115 WeakPolarHBondContact CD1-OE2 3.22Å |
| 40 | V | 95.1 | Very high | 93.9 | Very high | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.03 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.3 | -40.1 | 178.9 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | I36 L37 S38 N44 Q66 Y70 A82 L84 | I36-V40 HydrophobicContact CG2-CG2 4.3Å; I36-V40 WeakPolarHBondContact O-CB 3.38Å; I36-V40 VanDerWaalsContact O-CG2 3.26Å; I36-V40 WeakPolarHBondContact O-CG2 3.4Å; I36-V40 PolarHBondContact O-N 3.04Å; L37-V40 PolarHBondContact O-N 3.38Å; S38-V40 PolarHBondContact O-N 3.49Å; V40-N44 WeakPolarHBondContact CG1-ND2 3.42Å; V40-N44 WeakPolarHBondContact O-CB 3.34Å; V40-N44 PolarHBondContact O-N 2.95Å; V40-N44 PolarHBondContact O-ND2 3.28Å; V40-Q66 HydrophobicContact CG1-CG 4.23Å; V40-Y70 HydrophobicContact CB-CE1 4.21Å; V40-Y70 HydrophobicContact CG1-CE1 3.68Å; V40-Y70 HydrophobicContact CG2-CD1 4.36Å; V40-Y70 HydrophobicContact CG2-CE1 4.02Å; V40-A82 HydrophobicContact CG2-CB 3.32Å; V40-L84 HydrophobicContact CG1-CD2 4.39Å |
| 41 | T | 94.5 | Very high | 94 | Very high | 64 Ų | 64 | 49.5 Ų | 49.5 | 39% | 0.393 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.5 | -45.4 | 176 | -65.6 | 0 | 0 | 0 | 0 | 111.5 | L37 S38 L39 I43 N44 N45 | L37-T41 WeakPolarHBondContact O-CB 3.37Å; L37-T41 PolarHBondContact O-N 3.33Å; L37-T41 PolarHBondContact O-OG1 3.06Å; S38-T41 PolarHBondContact O-N 3.41Å; L39-T41 VanDerWaalsContact C-N 3.31Å; L39-T41 PolarHBondContact O-N 2.97Å; T41-I43 PolarHBondContact O-N 3.33Å; T41-N44 PolarHBondContact O-N 3.23Å; T41-N45 WeakPolarHBondContact O-CB 3.49Å; T41-N45 PolarHBondContact O-N 3.09Å; T41-N45 PolarHBondContact O-ND2 3.44Å |
| 42 | K | 94.1 | Very high | 94 | Very high | 44 Ų | 44 | 52 Ų | 52 | 19% | 0.191 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.5 | -47.7 | 177.2 | -68.5 | 177 | -169.5 | 178.2 | 0 | 111.5 | S38 L39 N45 V46 L108 D112 E115 | S38-K42 WeakPolarHBondContact O-CG 3.3Å; S38-K42 PolarHBondContact O-N 3.34Å; L39-K42 PolarHBondContact O-N 3.33Å; K42-N45 PolarHBondContact O-N 2.9Å; K42-V46 WeakPolarHBondContact O-CG2 3.26Å; K42-V46 PolarHBondContact O-N 3.45Å; K42-V46 VanDerWaalsContact O-N 3.09Å; K42-L108 HydrophobicContact CB-CD2 3.64Å; K42-D112 IonicContact NZ-OD2 3.19Å; K42-D112 PolarHBondContact NZ-OD2 3Å; K42-E115 IonicContact NZ-OE1 2.78Å; K42-E115 PolarHBondContact NZ-OE1 2.77Å |
| 43 | I | 94.9 | Very high | 94 | Very high | 34 Ų | 34 | 54.3 Ų | 54.3 | 17% | 0.174 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.7 | -45.7 | 178.7 | -67.9 | 167.2 | 0 | 0 | 0 | 111.3 | L39 T41 N45 V46 I47 L84 V104 L108 | L39-I43 HydrophobicContact CD1-CD1 3.86Å; L39-I43 HydrophobicContact CD1-CG1 4.28Å; L39-I43 HydrophobicContact CG-CD1 3.88Å; L39-I43 WeakPolarHBondContact O-CG1 3.5Å; L39-I43 PolarHBondContact O-N 2.97Å; T41-I43 PolarHBondContact O-N 3.33Å; I43-N45 VanDerWaalsContact C-N 3.33Å; I43-N45 PolarHBondContact O-N 3.42Å; I43-V46 PolarHBondContact O-N 3.3Å; I43-I47 HydrophobicContact CG2-CD1 3.69Å; I43-I47 HydrophobicContact CG2-CG1 4.38Å; I43-I47 WeakPolarHBondContact O-CG1 3.42Å; I43-I47 PolarHBondContact O-N 3.11Å; I43-L84 HydrophobicContact CB-CD1 4.15Å; I43-L84 HydrophobicContact CG2-CD1 3.47Å; I43-L84 VanDerWaalsContact CG2-CD1 3.47Å; I43-V104 HydrophobicContact CG2-CG1 4.38Å; I43-L108 HydrophobicContact CG1-CD1 3.88Å; I43-L108 HydrophobicContact CG1-CD2 4.41Å |
| 44 | N | 94.9 | Very high | 93.8 | Very high | 15 Ų | 15 | 51.9 Ų | 51.9 | 8% | 0.08 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.5 | -44 | 177.9 | -80.2 | -60.2 | 0 | 0 | 0 | 111.3 | V40 T41 V46 I47 D48 Q66 | V40-N44 WeakPolarHBondContact CG1-ND2 3.42Å; V40-N44 WeakPolarHBondContact O-CB 3.34Å; V40-N44 PolarHBondContact O-N 2.95Å; V40-N44 PolarHBondContact O-ND2 3.28Å; T41-N44 PolarHBondContact O-N 3.23Å; N44-V46 VanDerWaalsContact C-N 3.3Å; N44-V46 PolarHBondContact O-N 3.04Å; N44-I47 PolarHBondContact O-N 3Å; N44-I47 VanDerWaalsContact O-N 3.11Å; N44-D48 WeakPolarHBondContact O-CB 3.26Å; N44-D48 VanDerWaalsContact O-CG 3.28Å; N44-D48 PolarHBondContact O-N 3.4Å; N44-Q66 PolarHBondContact ND2-NE2 3.06Å |
| 45 | N | 94.4 | Very high | 93.6 | Very high | 79 Ų | 79 | 52.7 Ų | 52.7 | 42% | 0.422 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.6 | -40.9 | 177.6 | -69.4 | -19.2 | 0 | 0 | 0 | 112.3 | T41 K42 I43 N49 | T41-N45 WeakPolarHBondContact O-CB 3.49Å; T41-N45 PolarHBondContact O-N 3.09Å; T41-N45 PolarHBondContact O-ND2 3.44Å; K42-N45 PolarHBondContact O-N 2.9Å; I43-N45 VanDerWaalsContact C-N 3.33Å; I43-N45 PolarHBondContact O-N 3.42Å; N45-N49 WeakPolarHBondContact O-CB 3.23Å; N45-N49 PolarHBondContact O-N 3.06Å; N45-N49 PolarHBondContact O-ND2 3.24Å |
| 46 | V | 94.3 | Very high | 93.3 | Very high | 3 Ų | 3 | 56.7 Ų | 56.7 | 2% | 0.018 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.1 | -46.9 | 175 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | K42 I43 N44 N49 L50 V104 L108 | K42-V46 WeakPolarHBondContact O-CG2 3.26Å; K42-V46 PolarHBondContact O-N 3.45Å; K42-V46 VanDerWaalsContact O-N 3.09Å; I43-V46 PolarHBondContact O-N 3.3Å; N44-V46 VanDerWaalsContact C-N 3.3Å; N44-V46 PolarHBondContact O-N 3.04Å; V46-N49 PolarHBondContact O-N 3.04Å; V46-L50 HydrophobicContact CG1-CD1 4.26Å; V46-L50 WeakPolarHBondContact O-CG 3.44Å; V46-L50 PolarHBondContact O-N 3.22Å; V46-V104 HydrophobicContact CG1-CB 4.45Å; V46-V104 HydrophobicContact CG1-CG1 4.47Å; V46-V104 HydrophobicContact CG1-CG2 4.18Å; V46-L108 HydrophobicContact CG2-CD2 4.11Å; V46-L108 HydrophobicContact CG2-CG 4.32Å |
| 47 | I | 95.2 | Very high | 93.1 | Very high | 6 Ų | 6 | 57.4 Ų | 57.4 | 3% | 0.031 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.9 | -43.6 | -178.8 | -65.2 | 169.5 | 0 | 0 | 0 | 111.4 | I43 N44 N49 L50 I51 I61 V64 V86 V104 | I43-I47 HydrophobicContact CG2-CD1 3.69Å; I43-I47 HydrophobicContact CG2-CG1 4.38Å; I43-I47 WeakPolarHBondContact O-CG1 3.42Å; I43-I47 PolarHBondContact O-N 3.11Å; N44-I47 PolarHBondContact O-N 3Å; N44-I47 VanDerWaalsContact O-N 3.11Å; I47-N49 VanDerWaalsContact C-N 3.3Å; I47-N49 PolarHBondContact O-N 3.11Å; I47-L50 CarbonylContact O-C 3.35Å; I47-L50 WeakPolarHBondContact O-CA 3.48Å; I47-L50 WeakPolarHBondContact O-CB 3.41Å; I47-L50 PolarHBondContact O-N 3.22Å; I47-I51 HydrophobicContact CG2-CD1 4.03Å; I47-I51 HydrophobicContact CG2-CG1 4.45Å; I47-I51 WeakPolarHBondContact O-CG1 3.37Å; I47-I51 PolarHBondContact O-N 3.01Å; I47-I61 HydrophobicContact CG2-CD1 4.14Å; I47-I61 HydrophobicContact CG2-CG2 4.26Å; I47-V64 HydrophobicContact CD1-CG2 4.08Å; I47-V64 HydrophobicContact CG2-CB 3.87Å; I47-V64 HydrophobicContact CG2-CG1 3.98Å; I47-V64 HydrophobicContact CG2-CG2 4.41Å; I47-V86 HydrophobicContact CD1-CG2 3.98Å; I47-V104 HydrophobicContact CG1-CG2 4.24Å |
| 48 | D | 94.6 | Very high | 92.8 | Very high | 71 Ų | 71 | 61.5 Ų | 61.5 | 38% | 0.38 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.7 | -40.5 | 177.3 | -72.2 | -24.8 | 0 | 0 | 0 | 111.3 | N44 L50 I51 V52 | N44-D48 WeakPolarHBondContact O-CB 3.26Å; N44-D48 VanDerWaalsContact O-CG 3.28Å; N44-D48 PolarHBondContact O-N 3.4Å; D48-L50 VanDerWaalsContact C-N 3.34Å; D48-L50 PolarHBondContact O-N 3.16Å; D48-I51 WeakPolarHBondContact O-CB 3.36Å; D48-I51 PolarHBondContact O-N 3.23Å; D48-V52 WeakPolarHBondContact O-CG2 3.39Å; D48-V52 PolarHBondContact O-N 2.98Å |
| 49 | N | 94.1 | Very high | 92.8 | Very high | 99 Ų | 99 | 59.3 Ų | 59.3 | 53% | 0.529 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.7 | -39.1 | 173.3 | -74.4 | -29.8 | 0 | 0 | 0 | 112.1 | N45 V46 I47 I51 V52 A53 | N45-N49 WeakPolarHBondContact O-CB 3.23Å; N45-N49 PolarHBondContact O-N 3.06Å; N45-N49 PolarHBondContact O-ND2 3.24Å; V46-N49 PolarHBondContact O-N 3.04Å; I47-N49 VanDerWaalsContact C-N 3.3Å; I47-N49 PolarHBondContact O-N 3.11Å; N49-I51 VanDerWaalsContact C-N 3.32Å; N49-V52 PolarHBondContact O-N 3.38Å; N49-A53 CarbonylContact O-C 3.46Å; N49-A53 WeakPolarHBondContact O-CA 3.42Å; N49-A53 PolarHBondContact O-N 3.03Å |
| 50 | L | 93.8 | Very high | 92.6 | Very high | 16 Ų | 16 | 61.5 Ų | 61.5 | 8% | 0.084 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67.9 | -30.6 | 175 | -68.3 | 172.8 | 0 | 0 | 0 | 112.5 | V46 I47 D48 P54 F57 I61 L100 K103 | V46-L50 HydrophobicContact CG1-CD1 4.26Å; V46-L50 WeakPolarHBondContact O-CG 3.44Å; V46-L50 PolarHBondContact O-N 3.22Å; I47-L50 CarbonylContact O-C 3.35Å; I47-L50 WeakPolarHBondContact O-CA 3.48Å; I47-L50 WeakPolarHBondContact O-CB 3.41Å; I47-L50 PolarHBondContact O-N 3.22Å; D48-L50 VanDerWaalsContact C-N 3.34Å; D48-L50 PolarHBondContact O-N 3.16Å; L50-P54 WeakPolarHBondContact O-CA 3.36Å; L50-P54 WeakPolarHBondContact O-CB 3.46Å; L50-F57 HydrophobicContact CD1-CD1 4.39Å; L50-F57 HydrophobicContact CD1-CE1 4.22Å; L50-F57 HydrophobicContact CD2-CB 4.35Å; L50-F57 HydrophobicContact CD2-CD1 3.94Å; L50-F57 HydrophobicContact CD2-CG 4.26Å; L50-I61 HydrophobicContact CB-CD1 3.96Å; L50-I61 HydrophobicContact CD1-CD1 4.44Å; L50-L100 HydrophobicContact CD1-CD1 4.13Å; L50-K103 HydrophobicContact CD1-CG 4.08Å; L50-K103 HydrophobicContact CD2-CG 4.06Å |
| 51 | I | 94.1 | Very high | 92.6 | Very high | 52 Ų | 52 | 61.6 Ų | 61.6 | 27% | 0.267 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.7 | -46.2 | 174.3 | -68.7 | 164.5 | 0 | 0 | 0 | 110.6 | I47 D48 N49 I61 | I47-I51 HydrophobicContact CG2-CD1 4.03Å; I47-I51 HydrophobicContact CG2-CG1 4.45Å; I47-I51 WeakPolarHBondContact O-CG1 3.37Å; I47-I51 PolarHBondContact O-N 3.01Å; D48-I51 WeakPolarHBondContact O-CB 3.36Å; D48-I51 PolarHBondContact O-N 3.23Å; N49-I51 VanDerWaalsContact C-N 3.32Å; I51-I61 HydrophobicContact CD1-CB 4.45Å; I51-I61 HydrophobicContact CD1-CG2 3.78Å; I51-I61 HydrophobicContact CG1-CB 3.62Å; I51-I61 HydrophobicContact CG1-CG2 3.51Å |
| 52 | V | 93.8 | Very high | 92.7 | Very high | 124 Ų | 124 | 63.7 Ų | 63.7 | 75% | 0.752 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -82.6 | -39.8 | -173.9 | 178.9 | 0 | 0 | 0 | 0 | 112.4 | D48 N49 | D48-V52 WeakPolarHBondContact O-CG2 3.39Å; D48-V52 PolarHBondContact O-N 2.98Å; N49-V52 PolarHBondContact O-N 3.38Å |
| 53 | A | 92.8 | Very high | 92.7 | Very high | 72 Ų | 72 | 64.4 Ų | 64.4 | 60% | 0.595 | 37% | 0.368 | S | S | * | . | trans | -138.7 | 72.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | N49 G55 | N49-A53 CarbonylContact O-C 3.46Å; N49-A53 WeakPolarHBondContact O-CA 3.42Å; N49-A53 PolarHBondContact O-N 3.03Å; A53-G55 PolarHBondContact O-N 2.97Å | ||
| 54 | P | 88.1 | Confident | 92.7 | Very high | 57 Ų | 57 | 64 Ų | 64 | 37% | 0.37 | 37% | 0.367 | S | S | . | . | trans | -66.4 | -21.7 | -176.1 | 23.6 | -32.9 | 0 | 0 | 0 | 114.1 | L50 T56 F57 | L50-P54 WeakPolarHBondContact O-CA 3.36Å; L50-P54 WeakPolarHBondContact O-CB 3.46Å; P54-T56 PolarHBondContact O-N 3.49Å; P54-F57 WeakPolarHBondContact O-CB 3.47Å; P54-F57 PolarHBondContact O-N 3.4Å | ||
| 55 | G | 88.9 | Confident | 92.7 | Very high | 75 Ų | 75 | 69.6 Ų | 69.6 | 77% | 0.773 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | -119.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A53 | A53-G55 PolarHBondContact O-N 2.97Š|
| 56 | T | 87.4 | Confident | 92.8 | Very high | 148 Ų | 148 | 69 Ų | 69 | 91% | 0.908 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | 1.4 | 176.1 | 56.4 | 0 | 0 | 0 | 0 | 113.6 | P54 E58 | P54-T56 PolarHBondContact O-N 3.49Å; T56-E58 PolarHBondContact O-N 2.92Å |
| 57 | F | 90.2 | Very high | 92.8 | Very high | 27 Ų | 27 | 71.4 Ų | 71.4 | 12% | 0.118 | 40% | 0.397 | C | S | . | . | trans | -78 | 115.6 | 179.8 | -172.3 | -117.5 | 0 | 0 | 0 | 110.3 | L50 P54 V59 A99 L100 K103 | L50-F57 HydrophobicContact CD1-CD1 4.39Å; L50-F57 HydrophobicContact CD1-CE1 4.22Å; L50-F57 HydrophobicContact CD2-CB 4.35Å; L50-F57 HydrophobicContact CD2-CD1 3.94Å; L50-F57 HydrophobicContact CD2-CG 4.26Å; P54-F57 WeakPolarHBondContact O-CB 3.47Å; P54-F57 PolarHBondContact O-N 3.4Å; F57-V59 HydrophobicContact CD1-CB 4.25Å; F57-V59 HydrophobicContact CE1-CB 3.53Å; F57-V59 HydrophobicContact CE1-CG1 4.39Å; F57-V59 HydrophobicContact CE1-CG2 4.19Å; F57-V59 HydrophobicContact CE2-CB 4.36Å; F57-V59 HydrophobicContact CE2-CG2 4.13Å; F57-V59 HydrophobicContact CZ-CB 3.56Å; F57-V59 HydrophobicContact CZ-CG1 4.46Å; F57-V59 HydrophobicContact CZ-CG2 3.7Å; F57-V59 PolarHBondContact O-N 3.35Å; F57-A99 HydrophobicContact CE2-CB 4.25Å; F57-L100 HydrophobicContact CE1-CD1 3.94Å; F57-L100 HydrophobicContact CZ-CB 4.03Å; F57-L100 HydrophobicContact CZ-CD1 3.9Å; F57-K103 HydrophobicContact CD2-CB 4.11Å; F57-K103 HydrophobicContact CD2-CD 4.2Å; F57-K103 HydrophobicContact CD2-CG 3.92Å; F57-K103 HydrophobicContact CE2-CB 3.72Å; F57-K103 HydrophobicContact CE2-CG 4.03Å; F57-K103 HydrophobicContact CG-CG 4.33Å; F57-K103 HydrophobicContact CZ-CB 4.18Å | ||
| 58 | E | 87.4 | Confident | 92.8 | Very high | 177 Ų | 177 | 72.4 Ų | 72.4 | 83% | 0.827 | 41% | 0.409 | S | S | * | . | trans | -79.4 | -17.2 | -170.6 | -62.2 | -173.4 | 162.5 | 0 | 0 | 114.2 | T56 Q60 | T56-E58 PolarHBondContact O-N 2.92Å; E58-Q60 PolarHBondContact O-N 3.48Å | ||
| 59 | V | 91.9 | Very high | 92.7 | Very high | 10 Ų | 10 | 70.9 Ų | 70.9 | 6% | 0.061 | 40% | 0.403 | C | S | . | . | trans | -77.7 | 115.6 | -177.5 | -177.7 | 0 | 0 | 0 | 0 | 109.9 | F57 I61 L88 A96 A99 | F57-V59 HydrophobicContact CD1-CB 4.25Å; F57-V59 HydrophobicContact CE1-CB 3.53Å; F57-V59 HydrophobicContact CE1-CG1 4.39Å; F57-V59 HydrophobicContact CE1-CG2 4.19Å; F57-V59 HydrophobicContact CE2-CB 4.36Å; F57-V59 HydrophobicContact CE2-CG2 4.13Å; F57-V59 HydrophobicContact CZ-CB 3.56Å; F57-V59 HydrophobicContact CZ-CG1 4.46Å; F57-V59 HydrophobicContact CZ-CG2 3.7Å; F57-V59 PolarHBondContact O-N 3.35Å; V59-I61 PolarHBondContact O-N 3.43Å; V59-L88 HydrophobicContact CG1-CD1 4.01Å; V59-L88 HydrophobicContact CG1-CD2 3.68Å; V59-L88 HydrophobicContact CG1-CG 4.46Å; V59-A96 HydrophobicContact CG1-CB 4.28Å; V59-A96 HydrophobicContact CG2-CB 3.92Å; V59-A99 HydrophobicContact CG2-CB 4.36Å | ||
| 60 | Q | 90.8 | Very high | 92.7 | Very high | 114 Ų | 114 | 68.2 Ų | 68.2 | 53% | 0.533 | 39% | 0.386 | S | S | . | . | trans | -85.9 | 111.2 | 179.8 | -63.4 | -174.8 | 2.1 | 0 | 0 | 111.2 | E58 L88 K89 | E58-Q60 PolarHBondContact O-N 3.48Å; Q60-L88 WeakPolarHBondContact O-CA 3.4Å; Q60-K89 HydrophobicContact CB-CB 4.03Å; Q60-K89 HydrophobicContact CB-CD 4.31Å; Q60-K89 HydrophobicContact CB-CG 4.4Å; Q60-K89 PolarHBondContact O-N 3.24Å | ||
| 61 | I | 95.4 | Very high | 92.8 | Very high | 6 Ų | 6 | 73.7 Ų | 73.7 | 3% | 0.031 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 134.9 | 177.3 | -51.9 | 171.6 | 0 | 0 | 0 | 108.8 | I47 L50 I51 V59 V86 L88 L100 | I47-I61 HydrophobicContact CG2-CD1 4.14Å; I47-I61 HydrophobicContact CG2-CG2 4.26Å; L50-I61 HydrophobicContact CB-CD1 3.96Å; L50-I61 HydrophobicContact CD1-CD1 4.44Å; I51-I61 HydrophobicContact CD1-CB 4.45Å; I51-I61 HydrophobicContact CD1-CG2 3.78Å; I51-I61 HydrophobicContact CG1-CB 3.62Å; I51-I61 HydrophobicContact CG1-CG2 3.51Å; V59-I61 PolarHBondContact O-N 3.43Å; I61-V86 HydrophobicContact CG1-CG1 4.42Å; I61-V86 HydrophobicContact CG2-CG1 3.61Å; I61-L88 HydrophobicContact CB-CD2 4.44Å; I61-L88 HydrophobicContact CG1-CD2 3.92Å; I61-L100 HydrophobicContact CD1-CD1 3.67Å |
| 62 | E | 94.8 | Very high | 92.7 | Very high | 108 Ų | 108 | 79 Ų | 79 | 51% | 0.505 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | -54.3 | 175.2 | -172.7 | 170.1 | 179.9 | 0 | 0 | 111 | I87 K89 | E62-I87 HydrophobicContact CB-CG2 4.11Å; E62-I87 WeakPolarHBondContact CB-O 3.16Å; E62-I87 PolarHBondContact N-O 3.24Å; E62-K89 HydrophobicContact CB-CG 3.74Å; E62-K89 HydrophobicContact CG-CG 4.32Å |
| 63 | E | 94.1 | Very high | 92.6 | Very high | 59 Ų | 59 | 76.4 Ų | 76.4 | 28% | 0.276 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 165.3 | -179.5 | 62.7 | 174 | 150.4 | 0 | 0 | 111.3 | R65 I87 | E63-R65 IonicContact OE1-CZ 2.64Å; E63-R65 IonicContact OE1-NE 2.77Å; E63-R65 PolarHBondContact OE1-NE 2.82Å; E63-R65 IonicContact OE1-NH2 3.2Å; E63-R65 PolarHBondContact OE1-NH2 3.04Å; E63-R65 IonicContact OE2-CZ 3.24Å; E63-R65 IonicContact OE2-NE 2.75Å; E63-R65 PolarHBondContact OE2-NE 3.04Å; E63-R65 IonicContact OE2-NH2 3.46Å; E63-R65 PolarHBondContact OE2-NH2 2.92Å; E63-I87 HydrophobicContact CG-CB 3.84Å; E63-I87 HydrophobicContact CG-CD1 3.7Å; E63-I87 HydrophobicContact CG-CG1 4.14Å; E63-I87 HydrophobicContact CG-CG2 4.48Å; E63-I87 PolarHBondContact N-O 2.64Å; E63-I87 PolarHBondContact O-N 2.96Å; E63-I87 VanDerWaalsContact OE1-CD1 3.29Å; E63-I87 WeakPolarHBondContact OE1-CD1 3.34Å |
| 64 | V | 95.3 | Very high | 92.6 | Very high | 25 Ų | 25 | 77.1 Ų | 77.1 | 15% | 0.152 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 138.6 | 170.4 | 62.1 | 0 | 0 | 0 | 0 | 110.1 | I47 L84 V85 V86 | I47-V64 HydrophobicContact CD1-CG2 4.08Å; I47-V64 HydrophobicContact CG2-CB 3.87Å; I47-V64 HydrophobicContact CG2-CG1 3.98Å; I47-V64 HydrophobicContact CG2-CG2 4.41Å; V64-L84 HydrophobicContact CG2-CB 4.37Å; V64-L84 HydrophobicContact CG2-CD2 4.31Å; V64-V85 CarbonylContact C-O 3.58Å; V64-V85 WeakPolarHBondContact CA-O 3.23Å; V64-V86 HydrophobicContact CG2-CG2 4.18Å |
| 65 | R | 96.1 | Very high | 92.9 | Very high | 134 Ų | 134 | 75.6 Ų | 75.6 | 51% | 0.506 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 125.4 | 179.9 | -62.8 | -176 | -179.1 | 179.6 | 4.5 | 110.9 | E63 V67 V85 | E63-R65 IonicContact OE1-CZ 2.64Å; E63-R65 IonicContact OE1-NE 2.77Å; E63-R65 PolarHBondContact OE1-NE 2.82Å; E63-R65 IonicContact OE1-NH2 3.2Å; E63-R65 PolarHBondContact OE1-NH2 3.04Å; E63-R65 IonicContact OE2-CZ 3.24Å; E63-R65 IonicContact OE2-NE 2.75Å; E63-R65 PolarHBondContact OE2-NE 3.04Å; E63-R65 IonicContact OE2-NH2 3.46Å; E63-R65 PolarHBondContact OE2-NH2 2.92Å; R65-V67 HydrophobicContact CB-CG1 4.44Å; R65-V85 PolarHBondContact N-O 2.84Å; R65-V85 PolarHBondContact O-N 2.83Å |
| 66 | Q | 94.8 | Very high | 93.1 | Very high | 66 Ų | 66 | 74.9 Ų | 74.9 | 31% | 0.308 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 128.9 | 167.1 | -66.2 | 168.6 | 16 | 0 | 0 | 109.7 | V40 N44 Y70 K71 L84 | V40-Q66 HydrophobicContact CG1-CG 4.23Å; N44-Q66 PolarHBondContact ND2-NE2 3.06Å; Q66-Y70 HydrophobicContact CG-CE1 4.38Å; Q66-K71 HydrophobicContact CB-CB 4.36Å; Q66-K71 HydrophobicContact CB-CD 4.14Å; Q66-K71 WeakPolarHBondContact O-CG 3.26Å; Q66-L84 HydrophobicContact CB-CD2 4.24Å; Q66-L84 HydrophobicContact CG-CD2 3.47Å; Q66-L84 VanDerWaalsContact CG-CD2 3.47Å |
| 67 | V | 95.6 | Very high | 93.3 | Very high | 54 Ų | 54 | 70.4 Ų | 70.4 | 33% | 0.327 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | -167.1 | -180 | -57.8 | 0 | 0 | 0 | 0 | 110.7 | R65 K71 D83 V85 | R65-V67 HydrophobicContact CB-CG1 4.44Å; V67-K71 WeakPolarHBondContact O-CB 3.47Å; V67-K71 PolarHBondContact O-N 3.31Å; V67-D83 HydrophobicContact CG2-CB 3.74Å; V67-D83 PolarHBondContact N-O 2.92Å; V67-V85 HydrophobicContact CB-CG2 4.5Å; V67-V85 HydrophobicContact CG1-CG2 3.98Å; V67-V85 HydrophobicContact CG2-CG2 3.69Å |
| 68 | G | 94.9 | Very high | 93.4 | Very high | 27 Ų | 27 | 71.9 Ų | 71.9 | 28% | 0.278 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | 72.2 | -162.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y70 K71 K72 | G68-Y70 VanDerWaalsContact C-N 3.33Å; G68-K71 PolarHBondContact O-N 2.96Å; G68-K72 WeakPolarHBondContact O-CG 3.46Å; G68-K72 PolarHBondContact O-N 2.78Å |
| 69 | S | 93.3 | Very high | 93.5 | Very high | 38 Ų | 38 | 69.4 Ų | 69.4 | 27% | 0.266 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.2 | -38 | -177.7 | 52.7 | 0 | 0 | 0 | 0 | 112.1 | K72 G73 T74 | S69-K72 CarbonylContact O-C 3.58Å; S69-K72 PolarHBondContact O-N 3.4Å; S69-G73 PolarHBondContact O-N 2.87Å; S69-T74 PolarHBondContact O-N 2.9Å |
| 70 | Y | 93.9 | Very high | 93.3 | Very high | 43 Ų | 43 | 71.8 Ų | 71.8 | 17% | 0.169 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -57.1 | -52.9 | 176.1 | 171.7 | -106.6 | 0 | 0 | 0 | 111.5 | I36 L37 V40 Q66 G68 K72 G73 M75 A82 | I36-Y70 HydrophobicContact CG2-CD2 3.36Å; I36-Y70 HydrophobicContact CG2-CE2 3.45Å; I36-Y70 VanDerWaalsContact CG2-CE2 3.45Å; I36-Y70 HydrophobicContact CG2-CG 4.27Å; L37-Y70 WeakPolarHBondContact CD1-OH 3.45Å; V40-Y70 HydrophobicContact CB-CE1 4.21Å; V40-Y70 HydrophobicContact CG1-CE1 3.68Å; V40-Y70 HydrophobicContact CG2-CD1 4.36Å; V40-Y70 HydrophobicContact CG2-CE1 4.02Å; Q66-Y70 HydrophobicContact CG-CE1 4.38Å; G68-Y70 VanDerWaalsContact C-N 3.33Å; Y70-K72 PolarHBondContact O-N 3.16Å; Y70-G73 PolarHBondContact O-N 3.07Å; Y70-M75 HydrophobicContact CD2-SD 3.69Å; Y70-M75 HydrophobicContact CG-SD 4.24Å; Y70-A82 HydrophobicContact CD1-CB 3.9Å; Y70-A82 HydrophobicContact CD2-CB 4.21Å; Y70-A82 HydrophobicContact CG-CB 3.64Å |
| 71 | K | 94.2 | Very high | 93.4 | Very high | 132 Ų | 132 | 70.5 Ų | 70.5 | 57% | 0.574 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -63 | -32.1 | 179.4 | -178.2 | 57.9 | 177.8 | 176 | 0 | 112.9 | Q66 V67 G68 | Q66-K71 HydrophobicContact CB-CB 4.36Å; Q66-K71 HydrophobicContact CB-CD 4.14Å; Q66-K71 WeakPolarHBondContact O-CG 3.26Å; V67-K71 WeakPolarHBondContact O-CB 3.47Å; V67-K71 PolarHBondContact O-N 3.31Å; G68-K71 PolarHBondContact O-N 2.96Å |
| 72 | K | 93.5 | Very high | 93.3 | Very high | 162 Ų | 162 | 71.5 Ų | 71.5 | 70% | 0.704 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -85.2 | -8.7 | -177.7 | -69.1 | -179.3 | 179.5 | -178.9 | 0 | 113.9 | G68 S69 Y70 T74 | G68-K72 WeakPolarHBondContact O-CG 3.46Å; G68-K72 PolarHBondContact O-N 2.78Å; S69-K72 CarbonylContact O-C 3.58Å; S69-K72 PolarHBondContact O-N 3.4Å; Y70-K72 PolarHBondContact O-N 3.16Å; K72-T74 HydrophobicContact CB-CG2 4.04Å; K72-T74 PolarHBondContact O-N 2.97Å |
| 73 | G | 90.7 | Very high | 93.3 | Very high | 70 Ų | 70 | 69.9 Ų | 69.9 | 72% | 0.722 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 24.3 | -173 | 0 | 0 | 0 | 0 | 0 | 113.2 | S69 Y70 | S69-G73 PolarHBondContact O-N 2.87Å; Y70-G73 PolarHBondContact O-N 3.07Å |
| 74 | T | 92.6 | Very high | 93.4 | Very high | 88 Ų | 88 | 69.4 Ų | 69.4 | 54% | 0.54 | 39% | 0.394 | S | S | . | . | trans | -111.5 | 25.2 | -178.9 | 66.4 | 0 | 0 | 0 | 0 | 111.8 | S69 K72 | S69-T74 PolarHBondContact O-N 2.9Å; K72-T74 HydrophobicContact CB-CG2 4.04Å; K72-T74 PolarHBondContact O-N 2.97Å | ||
| 75 | M | 94.2 | Very high | 93.4 | Very high | 24 Ų | 24 | 71.4 Ų | 71.4 | 12% | 0.118 | 41% | 0.406 | C | S | . | . | trans | -65.5 | 151.2 | 169.2 | -71.2 | 173 | 56.6 | 0 | 0 | 109.7 | P28 I36 Y70 | P28-M75 WeakPolarHBondContact CD-O 3.47Å; P28-M75 HydrophobicContact CG-CB 3.69Å; P28-M75 WeakPolarHBondContact CG-O 3.37Å; I36-M75 HydrophobicContact CB-CE 4.41Å; I36-M75 HydrophobicContact CD1-CE 3.96Å; I36-M75 HydrophobicContact CG1-CE 3.91Å; I36-M75 HydrophobicContact CG2-CE 4.2Å; I36-M75 HydrophobicContact CG2-SD 4.22Å; Y70-M75 HydrophobicContact CD2-SD 3.69Å; Y70-M75 HydrophobicContact CG-SD 4.24Å | ||
| 76 | T | 93.8 | Very high | 93.4 | Very high | 61 Ų | 61 | 67.2 Ų | 67.2 | 37% | 0.374 | 40% | 0.395 | S | S | . | . | trans | -116 | 150.8 | 175.4 | 54 | 0 | 0 | 0 | 0 | 109.8 | L26 H79 | L26-T76 CarbonylContact O-C 3.59Å; L26-T76 VanDerWaalsContact O-CA 3.23Å; L26-T76 WeakPolarHBondContact O-CA 3.33Å; T76-H79 PolarHBondContact O-N 2.92Å | ||
| 77 | T | 92.7 | Very high | 93.4 | Very high | 53 Ų | 53 | 66.3 Ų | 66.3 | 33% | 0.325 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 145.4 | 176.3 | -167.6 | 0 | 0 | 0 | 0 | 112 | D25 L26 E32 H79 | D25-T77 VanDerWaalsContact O-CG2 3.31Å; D25-T77 WeakPolarHBondContact O-CG2 3.45Å; L26-T77 PolarHBondContact O-N 2.95Å; E32-T77 PolarHBondContact OE2-OG1 3.32Å; T77-H79 PolarHBondContact O-N 2.85Å; T77-H79 VanDerWaalsContact O-N 3.16Å; T77-H79 PolarHBondContact O-ND1 3.23Å |
| 78 | G | 91.1 | Very high | 93.4 | Very high | 58 Ų | 58 | 64.7 Ų | 64.7 | 60% | 0.598 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | -4.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | E32 | E32-G78 PolarHBondContact OE1-N 3.39Š|
| 79 | H | 90.9 | Very high | 93.4 | Very high | 126 Ų | 126 | 69.7 Ų | 69.7 | 58% | 0.583 | 40% | 0.395 | S | S | * | . | trans | -120 | 67.1 | 178.4 | -63.7 | 76.7 | 0 | 0 | 0 | 110.2 | T76 T77 V81 | T76-H79 PolarHBondContact O-N 2.92Å; T77-H79 PolarHBondContact O-N 2.85Å; T77-H79 VanDerWaalsContact O-N 3.16Å; T77-H79 PolarHBondContact O-ND1 3.23Å; H79-V81 VanDerWaalsContact C-N 3.32Å; H79-V81 PolarHBondContact O-N 3.02Å | ||
| 80 | N | 87.3 | Confident | 93.2 | Very high | 60 Ų | 60 | 71.6 Ų | 71.6 | 32% | 0.321 | 40% | 0.402 | S | S | . | . | trans | -86.1 | 78.5 | -178.1 | -56.6 | -29.7 | 0 | 0 | 0 | 108.6 | E32 I36 | E32-N80 WeakPolarHBondContact CB-OD1 3.31Å; E32-N80 VanDerWaalsContact CG-ND2 3.26Å; E32-N80 WeakPolarHBondContact CG-ND2 3.29Å; E32-N80 PolarHBondContact OE1-ND2 2.98Å; E32-N80 PolarHBondContact OE1-OD1 3.07Å; I36-N80 HydrophobicContact CD1-CB 3.79Å; I36-N80 WeakPolarHBondContact CD1-O 3.4Å; I36-N80 HydrophobicContact CG1-CB 3.76Å | ||
| 81 | V | 91.4 | Very high | 93.2 | Very high | 86 Ų | 86 | 76.5 Ų | 76.5 | 52% | 0.521 | 43% | 0.43 | S | S | . | . | trans | -130.8 | 137.9 | 175.7 | -177.9 | 0 | 0 | 0 | 0 | 109.1 | H79 | H79-V81 VanDerWaalsContact C-N 3.32Å; H79-V81 PolarHBondContact O-N 3.02Å | ||
| 82 | A | 94.4 | Very high | 93.2 | Very high | 28 Ų | 28 | 74.2 Ų | 74.2 | 23% | 0.231 | 43% | 0.429 | C | S | . | . | trans | -124.7 | 137.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110 | I36 V40 Y70 | I36-A82 HydrophobicContact CD1-CB 4.49Å; I36-A82 HydrophobicContact CG2-CB 4.12Å; V40-A82 HydrophobicContact CG2-CB 3.32Å; Y70-A82 HydrophobicContact CD1-CB 3.9Å; Y70-A82 HydrophobicContact CD2-CB 4.21Å; Y70-A82 HydrophobicContact CG-CB 3.64Å | ||
| 83 | D | 94.7 | Very high | 93.2 | Very high | 73 Ų | 73 | 69.3 Ų | 69.3 | 39% | 0.39 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 130.2 | -176.4 | -57.5 | -64.5 | 0 | 0 | 0 | 110.7 | V67 | V67-D83 HydrophobicContact CG2-CB 3.74Å; V67-D83 PolarHBondContact N-O 2.92Å |
| 84 | L | 95.1 | Very high | 93.4 | Very high | 49 Ų | 49 | 72.6 Ų | 72.6 | 26% | 0.257 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 131.6 | 175.6 | -64.2 | 169 | 0 | 0 | 0 | 109.1 | V40 I43 V64 Q66 | V40-L84 HydrophobicContact CG1-CD2 4.39Å; I43-L84 HydrophobicContact CB-CD1 4.15Å; I43-L84 HydrophobicContact CG2-CD1 3.47Å; I43-L84 VanDerWaalsContact CG2-CD1 3.47Å; V64-L84 HydrophobicContact CG2-CB 4.37Å; V64-L84 HydrophobicContact CG2-CD2 4.31Å; Q66-L84 HydrophobicContact CB-CD2 4.24Å; Q66-L84 HydrophobicContact CG-CD2 3.47Å; Q66-L84 VanDerWaalsContact CG-CD2 3.47Å |
| 85 | V | 95.9 | Very high | 93.5 | Very high | 67 Ų | 67 | 74.5 Ų | 74.5 | 41% | 0.406 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 119.8 | 170.4 | 177.2 | 0 | 0 | 0 | 0 | 107.8 | V64 R65 V67 I87 | V64-V85 CarbonylContact C-O 3.58Å; V64-V85 WeakPolarHBondContact CA-O 3.23Å; R65-V85 PolarHBondContact N-O 2.84Å; R65-V85 PolarHBondContact O-N 2.83Å; V67-V85 HydrophobicContact CB-CG2 4.5Å; V67-V85 HydrophobicContact CG1-CG2 3.98Å; V67-V85 HydrophobicContact CG2-CG2 3.69Å; V85-I87 HydrophobicContact CG1-CG1 4.2Å |
| 86 | V | 95.5 | Very high | 93.4 | Very high | 46 Ų | 46 | 73.8 Ų | 73.8 | 28% | 0.279 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 123.4 | 173.9 | -174 | 0 | 0 | 0 | 0 | 108.6 | I47 I61 V64 L88 L100 | I47-V86 HydrophobicContact CD1-CG2 3.98Å; I61-V86 HydrophobicContact CG1-CG1 4.42Å; I61-V86 HydrophobicContact CG2-CG1 3.61Å; V64-V86 HydrophobicContact CG2-CG2 4.18Å; V86-L88 HydrophobicContact CG1-CD2 4.12Å; V86-L100 HydrophobicContact CB-CD2 4.34Å; V86-L100 HydrophobicContact CG1-CD2 3.9Å; V86-L100 HydrophobicContact CG2-CD2 4.46Å |
| 87 | I | 95.5 | Very high | 93.4 | Very high | 48 Ų | 48 | 74.8 Ų | 74.8 | 25% | 0.246 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 123.6 | 179.4 | -61.8 | 174.2 | 0 | 0 | 0 | 107.4 | E62 E63 V85 | E62-I87 HydrophobicContact CB-CG2 4.11Å; E62-I87 WeakPolarHBondContact CB-O 3.16Å; E62-I87 PolarHBondContact N-O 3.24Å; E63-I87 HydrophobicContact CG-CB 3.84Å; E63-I87 HydrophobicContact CG-CD1 3.7Å; E63-I87 HydrophobicContact CG-CG1 4.14Å; E63-I87 HydrophobicContact CG-CG2 4.48Å; E63-I87 PolarHBondContact N-O 2.64Å; E63-I87 PolarHBondContact O-N 2.96Å; E63-I87 VanDerWaalsContact OE1-CD1 3.29Å; E63-I87 WeakPolarHBondContact OE1-CD1 3.34Å; V85-I87 HydrophobicContact CG1-CG1 4.2Å |
| 88 | L | 95.5 | Very high | 93.5 | Very high | 20 Ų | 20 | 74.7 Ų | 74.7 | 11% | 0.105 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 145.1 | 178.9 | -58 | -176 | 0 | 0 | 0 | 110 | V59 Q60 I61 V86 I90 P92 A96 | V59-L88 HydrophobicContact CG1-CD1 4.01Å; V59-L88 HydrophobicContact CG1-CD2 3.68Å; V59-L88 HydrophobicContact CG1-CG 4.46Å; Q60-L88 WeakPolarHBondContact O-CA 3.4Å; I61-L88 HydrophobicContact CB-CD2 4.44Å; I61-L88 HydrophobicContact CG1-CD2 3.92Å; V86-L88 HydrophobicContact CG1-CD2 4.12Å; L88-I90 HydrophobicContact CB-CG1 4.35Å; L88-I90 WeakPolarHBondContact CB-O 3.43Å; L88-I90 PolarHBondContact O-N 3.45Å; L88-P92 HydrophobicContact CD1-CB 4.15Å; L88-P92 HydrophobicContact CD1-CG 4.33Å; L88-A96 HydrophobicContact CD1-CB 4.46Å |
| 89 | K | 94.4 | Very high | 93.7 | Very high | 132 Ų | 132 | 73.9 Ų | 73.9 | 57% | 0.574 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -70 | -15.9 | 173.1 | -65.8 | -173.1 | -179.1 | 176.3 | 0 | 112.9 | Q60 E62 | Q60-K89 HydrophobicContact CB-CB 4.03Å; Q60-K89 HydrophobicContact CB-CD 4.31Å; Q60-K89 HydrophobicContact CB-CG 4.4Å; Q60-K89 PolarHBondContact O-N 3.24Å; E62-K89 HydrophobicContact CB-CG 3.74Å; E62-K89 HydrophobicContact CG-CG 4.32Å |
| 90 | I | 90.2 | Very high | 93.8 | Very high | 78 Ų | 78 | 68.8 Ų | 68.8 | 40% | 0.4 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -113 | 163.6 | 179 | 62.9 | 169.4 | 0 | 0 | 0 | 109.9 | L88 P92 | L88-I90 HydrophobicContact CB-CG1 4.35Å; L88-I90 WeakPolarHBondContact CB-O 3.43Å; L88-I90 PolarHBondContact O-N 3.45Å; I90-P92 WeakPolarHBondContact O-CD 3.36Å |
| 91 | L | 93.6 | Very high | 94.1 | Very high | 145 Ų | 145 | 67.7 Ų | 67.7 | 76% | 0.759 | 39% | 0.391 | S | S | * | . | trans | -56.4 | 125.9 | 171.3 | -174.3 | 72.8 | 0 | 0 | 0 | 109.6 | T93 | L91-T93 PolarHBondContact O-N 3.41Å; L91-T93 VanDerWaalsContact O-N 3.11Å | ||
| 92 | P | 93.4 | Very high | 94.3 | Very high | 84 Ų | 84 | 69.2 Ų | 69.2 | 55% | 0.545 | 40% | 0.396 | S | S | . | . | trans | -64.3 | 114.5 | 177.2 | -21.9 | 33.4 | 0 | 0 | 0 | 110.8 | L88 I90 V97 | L88-P92 HydrophobicContact CD1-CB 4.15Å; L88-P92 HydrophobicContact CD1-CG 4.33Å; I90-P92 WeakPolarHBondContact O-CD 3.36Å; P92-V97 HydrophobicContact CB-CG2 4.43Å | ||
| 93 | T | 95 | Very high | 94.3 | Very high | 59 Ų | 59 | 70.9 Ų | 70.9 | 36% | 0.362 | 40% | 0.399 | S | S | . | . | trans | -101.2 | 160.6 | 170.4 | 82 | 0 | 0 | 0 | 0 | 110.4 | L91 E95 A96 V97 | L91-T93 PolarHBondContact O-N 3.41Å; L91-T93 VanDerWaalsContact O-N 3.11Å; T93-E95 VanDerWaalsContact CB-OE2 3.24Å; T93-E95 WeakPolarHBondContact CB-OE2 3.5Å; T93-E95 PolarHBondContact O-N 2.94Å; T93-E95 PolarHBondContact OG1-N 3.47Å; T93-E95 PolarHBondContact OG1-OE2 3.38Å; T93-A96 PolarHBondContact O-N 3.23Å; T93-A96 PolarHBondContact OG1-N 2.99Å; T93-V97 WeakPolarHBondContact O-CG2 3.4Å; T93-V97 PolarHBondContact O-N 2.99Å | ||
| 94 | L | 94.9 | Very high | 94.2 | Very high | 139 Ų | 139 | 68.3 Ų | 68.3 | 73% | 0.728 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -57.7 | -41.1 | 178 | -174.3 | 74.6 | 0 | 0 | 0 | 111.1 | V97 A98 | L94-V97 PolarHBondContact O-N 3.32Å; L94-A98 WeakPolarHBondContact O-CB 3.22Å; L94-A98 PolarHBondContact O-N 2.83Å |
| 95 | E | 93.9 | Very high | 94.1 | Very high | 128 Ų | 128 | 69.1 Ų | 69.1 | 60% | 0.598 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -66.3 | -44.5 | -179 | -56.6 | 72.3 | -155.6 | 0 | 0 | 111 | T93 V97 A98 A99 | T93-E95 VanDerWaalsContact CB-OE2 3.24Å; T93-E95 WeakPolarHBondContact CB-OE2 3.5Å; T93-E95 PolarHBondContact O-N 2.94Å; T93-E95 PolarHBondContact OG1-N 3.47Å; T93-E95 PolarHBondContact OG1-OE2 3.38Å; E95-V97 PolarHBondContact O-N 3.27Å; E95-A98 PolarHBondContact O-N 3.22Å; E95-A99 VanDerWaalsContact O-CB 3.25Å; E95-A99 WeakPolarHBondContact O-CB 3.45Å; E95-A99 PolarHBondContact O-N 3.19Å |
| 96 | A | 92.7 | Very high | 94 | Very high | 9 Ų | 9 | 71.4 Ų | 71.4 | 7% | 0.074 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V59 L88 T93 L100 | V59-A96 HydrophobicContact CG1-CB 4.28Å; V59-A96 HydrophobicContact CG2-CB 3.92Å; L88-A96 HydrophobicContact CD1-CB 4.46Å; T93-A96 PolarHBondContact O-N 3.23Å; T93-A96 PolarHBondContact OG1-N 2.99Å; A96-L100 WeakPolarHBondContact O-CB 3.49Å; A96-L100 PolarHBondContact O-N 3.34Å |
| 97 | V | 93.8 | Very high | 93.9 | Very high | 82 Ų | 82 | 70.3 Ų | 70.3 | 50% | 0.497 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -66.4 | -43.5 | 177.6 | 174.9 | 0 | 0 | 0 | 0 | 111.1 | P92 T93 L94 E95 L100 G101 | P92-V97 HydrophobicContact CB-CG2 4.43Å; T93-V97 WeakPolarHBondContact O-CG2 3.4Å; T93-V97 PolarHBondContact O-N 2.99Å; L94-V97 PolarHBondContact O-N 3.32Å; E95-V97 PolarHBondContact O-N 3.27Å; V97-L100 PolarHBondContact O-N 2.86Å; V97-G101 PolarHBondContact O-N 3.15Å |
| 98 | A | 94.8 | Very high | 93.7 | Very high | 52 Ų | 52 | 69 Ų | 69 | 43% | 0.43 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | L94 E95 L100 G101 N102 | L94-A98 WeakPolarHBondContact O-CB 3.22Å; L94-A98 PolarHBondContact O-N 2.83Å; E95-A98 PolarHBondContact O-N 3.22Å; A98-L100 VanDerWaalsContact C-N 3.34Å; A98-L100 PolarHBondContact O-N 3.25Å; A98-G101 PolarHBondContact O-N 2.82Å; A98-N102 PolarHBondContact O-N 3.07Å; A98-N102 PolarHBondContact O-ND2 3.4Å |
| 99 | A | 94.1 | Very high | 93.4 | Very high | 40 Ų | 40 | 75.5 Ų | 75.5 | 33% | 0.331 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F57 V59 E95 N102 K103 | F57-A99 HydrophobicContact CE2-CB 4.25Å; V59-A99 HydrophobicContact CG2-CB 4.36Å; E95-A99 VanDerWaalsContact O-CB 3.25Å; E95-A99 WeakPolarHBondContact O-CB 3.45Å; E95-A99 PolarHBondContact O-N 3.19Å; A99-N102 PolarHBondContact O-N 3.18Å; A99-K103 WeakPolarHBondContact O-CB 3.4Å; A99-K103 PolarHBondContact O-N 2.93Å |
| 100 | L | 94.4 | Very high | 93.1 | Very high | 20 Ų | 20 | 73.3 Ų | 73.3 | 11% | 0.105 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -61.7 | -48.3 | 174.6 | 179.2 | 62.9 | 0 | 0 | 0 | 112.1 | L50 F57 I61 V86 A96 V97 A98 N102 K103 V104 | L50-L100 HydrophobicContact CD1-CD1 4.13Å; F57-L100 HydrophobicContact CE1-CD1 3.94Å; F57-L100 HydrophobicContact CZ-CB 4.03Å; F57-L100 HydrophobicContact CZ-CD1 3.9Å; I61-L100 HydrophobicContact CD1-CD1 3.67Å; V86-L100 HydrophobicContact CB-CD2 4.34Å; V86-L100 HydrophobicContact CG1-CD2 3.9Å; V86-L100 HydrophobicContact CG2-CD2 4.46Å; A96-L100 WeakPolarHBondContact O-CB 3.49Å; A96-L100 PolarHBondContact O-N 3.34Å; V97-L100 PolarHBondContact O-N 2.86Å; A98-L100 VanDerWaalsContact C-N 3.34Å; A98-L100 PolarHBondContact O-N 3.25Å; L100-N102 VanDerWaalsContact C-N 3.34Å; L100-N102 PolarHBondContact O-N 3.36Å; L100-K103 PolarHBondContact O-N 3.32Å; L100-V104 HydrophobicContact CD1-CG2 4.11Å; L100-V104 HydrophobicContact CG-CG2 4.48Å; L100-V104 WeakPolarHBondContact O-CG2 3.35Å; L100-V104 PolarHBondContact O-N 3.48Å |
| 101 | G | 93.8 | Very high | 92.8 | Very high | 37 Ų | 37 | 75 Ų | 75 | 38% | 0.381 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -56.8 | -47.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V97 A98 K103 V104 V105 | V97-G101 PolarHBondContact O-N 3.15Å; A98-G101 PolarHBondContact O-N 2.82Å; G101-K103 PolarHBondContact O-N 2.9Å; G101-V104 PolarHBondContact O-N 2.86Å; G101-V105 WeakPolarHBondContact O-CG2 3.48Å; G101-V105 PolarHBondContact O-N 3.35Å; G101-V105 VanDerWaalsContact O-N 3.08Å |
| 102 | N | 94.7 | Very high | 92.2 | Very high | 117 Ų | 117 | 70 Ų | 70 | 63% | 0.626 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -62.1 | -43.3 | 177.3 | -71.1 | -26.9 | 0 | 0 | 0 | 112.1 | A98 A99 L100 V104 V105 E106 | A98-N102 PolarHBondContact O-N 3.07Å; A98-N102 PolarHBondContact O-ND2 3.4Å; A99-N102 PolarHBondContact O-N 3.18Å; L100-N102 VanDerWaalsContact C-N 3.34Å; L100-N102 PolarHBondContact O-N 3.36Å; N102-V104 PolarHBondContact O-N 2.99Å; N102-V105 PolarHBondContact O-N 2.94Å; N102-E106 WeakPolarHBondContact O-CB 3.38Å; N102-E106 PolarHBondContact O-N 3.28Å |
| 103 | K | 94.1 | Very high | 91.2 | Very high | 64 Ų | 64 | 71.5 Ų | 71.5 | 28% | 0.278 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.9 | -39.8 | 180 | -171.2 | 70.3 | -152.1 | 160.6 | 0 | 112.2 | L50 F57 A99 L100 G101 E106 S107 | L50-K103 HydrophobicContact CD1-CG 4.08Å; L50-K103 HydrophobicContact CD2-CG 4.06Å; F57-K103 HydrophobicContact CD2-CB 4.11Å; F57-K103 HydrophobicContact CD2-CD 4.2Å; F57-K103 HydrophobicContact CD2-CG 3.92Å; F57-K103 HydrophobicContact CE2-CB 3.72Å; F57-K103 HydrophobicContact CE2-CG 4.03Å; F57-K103 HydrophobicContact CG-CG 4.33Å; F57-K103 HydrophobicContact CZ-CB 4.18Å; A99-K103 WeakPolarHBondContact O-CB 3.4Å; A99-K103 PolarHBondContact O-N 2.93Å; L100-K103 PolarHBondContact O-N 3.32Å; G101-K103 PolarHBondContact O-N 2.9Å; K103-E106 IonicContact NZ-OE2 2.82Å; K103-E106 PolarHBondContact NZ-OE2 3.49Å; K103-S107 VanDerWaalsContact O-CB 3.31Å; K103-S107 WeakPolarHBondContact O-CB 3.35Å; K103-S107 PolarHBondContact O-N 3.01Å; K103-S107 PolarHBondContact O-OG 3.47Å |
| 104 | V | 93.8 | Very high | 90 | Very high | 19 Ų | 19 | 73.8 Ų | 73.8 | 12% | 0.115 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -63.6 | -48.2 | 176.5 | 171.3 | 0 | 0 | 0 | 0 | 110.4 | I43 V46 I47 L100 G101 N102 E106 S107 L108 | I43-V104 HydrophobicContact CG2-CG1 4.38Å; V46-V104 HydrophobicContact CG1-CB 4.45Å; V46-V104 HydrophobicContact CG1-CG1 4.47Å; V46-V104 HydrophobicContact CG1-CG2 4.18Å; I47-V104 HydrophobicContact CG1-CG2 4.24Å; L100-V104 HydrophobicContact CD1-CG2 4.11Å; L100-V104 HydrophobicContact CG-CG2 4.48Å; L100-V104 WeakPolarHBondContact O-CG2 3.35Å; L100-V104 PolarHBondContact O-N 3.48Å; G101-V104 PolarHBondContact O-N 2.86Å; N102-V104 PolarHBondContact O-N 2.99Å; V104-E106 PolarHBondContact O-N 3.07Å; V104-S107 PolarHBondContact O-N 3.29Å; V104-L108 HydrophobicContact CG1-CD1 3.88Å; V104-L108 HydrophobicContact CG1-CG 4.38Å; V104-L108 WeakPolarHBondContact O-CB 3.43Å; V104-L108 WeakPolarHBondContact O-CG 3.44Å; V104-L108 PolarHBondContact O-N 3.47Å |
| 105 | V | 93.3 | Very high | 88.3 | Confident | 66 Ų | 66 | 72.9 Ų | 72.9 | 40% | 0.4 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.9 | -44.6 | 178.5 | 173.1 | 0 | 0 | 0 | 0 | 111.8 | G101 N102 S107 L108 R109 | G101-V105 WeakPolarHBondContact O-CG2 3.48Å; G101-V105 PolarHBondContact O-N 3.35Å; G101-V105 VanDerWaalsContact O-N 3.08Å; N102-V105 PolarHBondContact O-N 2.94Å; V105-S107 VanDerWaalsContact C-N 3.35Å; V105-S107 PolarHBondContact O-N 3.29Å; V105-L108 PolarHBondContact O-N 2.96Å; V105-R109 WeakPolarHBondContact O-CG 3.39Å; V105-R109 PolarHBondContact O-N 3.29Å |
| 106 | E | 93.3 | Very high | 88.1 | Confident | 114 Ų | 114 | 70.1 Ų | 70.1 | 53% | 0.533 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -59.5 | -46.4 | 176.4 | -175.1 | -167.8 | -161.6 | 0 | 0 | 111.3 | N102 K103 V104 R109 A110 | N102-E106 WeakPolarHBondContact O-CB 3.38Å; N102-E106 PolarHBondContact O-N 3.28Å; K103-E106 IonicContact NZ-OE2 2.82Å; K103-E106 PolarHBondContact NZ-OE2 3.49Å; V104-E106 PolarHBondContact O-N 3.07Å; E106-R109 PolarHBondContact O-N 3.15Å; E106-A110 WeakPolarHBondContact O-CB 3.47Å; E106-A110 PolarHBondContact O-N 2.93Å |
| 107 | S | 92.1 | Very high | 87.8 | Confident | 23 Ų | 23 | 73.3 Ų | 73.3 | 16% | 0.161 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -68.3 | -37.1 | -178 | -55.2 | 0 | 0 | 0 | 0 | 112.2 | K103 V104 V105 Q111 | K103-S107 VanDerWaalsContact O-CB 3.31Å; K103-S107 WeakPolarHBondContact O-CB 3.35Å; K103-S107 PolarHBondContact O-N 3.01Å; K103-S107 PolarHBondContact O-OG 3.47Å; V104-S107 PolarHBondContact O-N 3.29Å; V105-S107 VanDerWaalsContact C-N 3.35Å; V105-S107 PolarHBondContact O-N 3.29Å; S107-Q111 WeakPolarHBondContact O-CG 3.49Å; S107-Q111 PolarHBondContact O-N 3.23Å |
| 108 | L | 91.3 | Very high | 87.5 | Confident | 20 Ų | 20 | 72.8 Ų | 72.8 | 11% | 0.105 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -63.9 | -50.5 | 174.3 | -76.1 | 170.5 | 0 | 0 | 0 | 111.2 | K42 I43 V46 V104 V105 A110 Q111 D112 | K42-L108 HydrophobicContact CB-CD2 3.64Å; I43-L108 HydrophobicContact CG1-CD1 3.88Å; I43-L108 HydrophobicContact CG1-CD2 4.41Å; V46-L108 HydrophobicContact CG2-CD2 4.11Å; V46-L108 HydrophobicContact CG2-CG 4.32Å; V104-L108 HydrophobicContact CG1-CD1 3.88Å; V104-L108 HydrophobicContact CG1-CG 4.38Å; V104-L108 WeakPolarHBondContact O-CB 3.43Å; V104-L108 WeakPolarHBondContact O-CG 3.44Å; V104-L108 PolarHBondContact O-N 3.47Å; V105-L108 PolarHBondContact O-N 2.96Å; L108-A110 PolarHBondContact O-N 2.92Å; L108-Q111 PolarHBondContact O-N 2.89Å; L108-D112 PolarHBondContact O-N 2.61Å |
| 109 | R | 90.4 | Very high | 87.1 | Confident | 158 Ų | 158 | 74.1 Ų | 74.1 | 60% | 0.596 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -61.9 | -32.3 | 179 | -73.3 | 177.9 | 176.5 | 173.5 | 2 | 113.3 | V105 E106 Q111 D112 P113 | V105-R109 WeakPolarHBondContact O-CG 3.39Å; V105-R109 PolarHBondContact O-N 3.29Å; E106-R109 PolarHBondContact O-N 3.15Å; R109-Q111 VanDerWaalsContact C-N 3.35Å; R109-D112 CarbonylContact O-C 3.49Å; R109-P113 WeakPolarHBondContact O-CA 3.46Å |
| 110 | A | 88.7 | Confident | 86.6 | Confident | 85 Ų | 85 | 76.2 Ų | 76.2 | 70% | 0.702 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -69.3 | -33.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E106 L108 | E106-A110 WeakPolarHBondContact O-CB 3.47Å; E106-A110 PolarHBondContact O-N 2.93Å; L108-A110 PolarHBondContact O-N 2.92Å |
| 111 | Q | 83 | Confident | 86.1 | Confident | 113 Ų | 113 | 79.9 Ų | 79.9 | 53% | 0.528 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -82.1 | -35.9 | 177 | -69.5 | 174.6 | 28.9 | 0 | 0 | 112.2 | S107 L108 R109 | S107-Q111 WeakPolarHBondContact O-CG 3.49Å; S107-Q111 PolarHBondContact O-N 3.23Å; L108-Q111 PolarHBondContact O-N 2.89Å; R109-Q111 VanDerWaalsContact C-N 3.35Å |
| 112 | D | 80 | Confident | 85.5 | Confident | 40 Ų | 40 | 83 Ų | 83 | 21% | 0.214 | 45% | 0.452 | C | S | . | . | trans | -143.8 | 96 | -177 | -166.3 | -15.2 | 0 | 0 | 0 | 110.3 | K42 L108 R109 S114 E115 | K42-D112 IonicContact NZ-OD2 3.19Å; K42-D112 PolarHBondContact NZ-OD2 3Å; L108-D112 PolarHBondContact O-N 2.61Å; R109-D112 CarbonylContact O-C 3.49Å; D112-S114 PolarHBondContact O-N 3.3Å; D112-S114 VanDerWaalsContact O-N 3.11Å; D112-S114 PolarHBondContact OD1-N 3.47Å; D112-S114 PolarHBondContact OD1-OG 3.44Å; D112-E115 PolarHBondContact O-N 3.31Å | ||
| 113 | P | 74.1 | Confident | 84.8 | Confident | 117 Ų | 117 | 80.4 Ų | 80.4 | 76% | 0.76 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -8.8 | -178.3 | -20.3 | 32 | 0 | 0 | 0 | 114.4 | R109 | R109-P113 WeakPolarHBondContact O-CA 3.46Š|
| 114 | S | 70 | Confident | 84.1 | Confident | 107 Ų | 107 | 81.8 Ų | 81.8 | 75% | 0.748 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -6.6 | -176.3 | 70.3 | 0 | 0 | 0 | 0 | 114.2 | D112 | D112-S114 PolarHBondContact O-N 3.3Å; D112-S114 VanDerWaalsContact O-N 3.11Å; D112-S114 PolarHBondContact OD1-N 3.47Å; D112-S114 PolarHBondContact OD1-OG 3.44Å |
| 115 | E | 59 | Low | 83.2 | Confident | 119 Ų | 119 | 87.5 Ų | 87.5 | 56% | 0.556 | 48% | 0.482 | S | S | * | . | trans | -94.7 | 0 | 172.4 | -96.6 | -167.4 | -159 | 0 | 0 | 114.4 | L39 K42 D112 | L39-E115 WeakPolarHBondContact CD1-OE2 3.22Å; K42-E115 IonicContact NZ-OE1 2.78Å; K42-E115 PolarHBondContact NZ-OE1 2.77Å; D112-E115 PolarHBondContact O-N 3.31Å |
Retrieved 115 of 115 residues in 46.4 ms
(Link to these results)