| 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 | S | 47.9 | Very low | 39.8 | Very low | 174 Ų | 174 | 157.4 Ų | 157.4 | 100% | 1.217 | 85% | 0.846 | S | S | * | * | 0 | 118.5 | 0 | -175.9 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 2 | M | 37.8 | Very low | 40.1 | Very low | 190 Ų | 190 | 150.6 Ų | 150.6 | 94% | 0.936 | 83% | 0.827 | S | S | * | * | trans | -161.4 | 137.8 | 160 | -91.4 | -52.9 | -177.3 | 0 | 0 | 106.4 | ||||
| 3 | G | 42.6 | Very low | 39.3 | Very low | 48 Ų | 48 | 150.9 Ų | 150.9 | 50% | 0.495 | 82% | 0.82 | S | S | . | * | trans | -86 | 161.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114 | F5 | G3-F5 PolarHBondContact O-N 3.45Š| ||
| 4 | P | 42 | Very low | 39.2 | Very low | 134 Ų | 134 | 147.4 Ų | 147.4 | 87% | 0.87 | 82% | 0.821 | S | S | * | * | trans | -79.8 | 114.4 | 177.5 | 31.5 | -32.8 | 0 | 0 | 0 | 111.7 | ||||
| 5 | F | 40.1 | Very low | 39.7 | Very low | 186 Ų | 186 | 142.1 Ų | 142.1 | 82% | 0.816 | 81% | 0.813 | S | S | * | * | trans | -103.3 | 101.4 | 174.5 | -76.3 | -77.6 | 0 | 0 | 0 | 112.3 | G3 | G3-F5 PolarHBondContact O-N 3.45Š| ||
| 6 | T | 44.4 | Very low | 39.3 | Very low | 127 Ų | 127 | 140.5 Ų | 140.5 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | trans | 25.6 | 120.4 | 145.6 | 57.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 7 | T | 37.8 | Very low | 39.9 | Very low | 137 Ų | 137 | 140.2 Ų | 140.2 | 84% | 0.84 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -89 | 145.6 | 152.7 | 45.6 | 0 | 0 | 0 | 0 | 111.4 | ||
| 8 | P | 37.7 | Very low | 40.4 | Very low | 128 Ų | 128 | 138 Ų | 138 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 158.7 | -173.5 | 32.7 | -36.2 | 0 | 0 | 0 | 113.9 | ||
| 9 | K | 40.3 | Very low | 41.1 | Very low | 207 Ų | 207 | 135.7 Ų | 135.7 | 90% | 0.9 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 134.6 | 176.7 | -81.8 | -178.1 | 176.3 | 174.3 | 0 | 113 | ||
| 10 | K | 38.6 | Very low | 41.9 | Very low | 188 Ų | 188 | 139.2 Ų | 139.2 | 82% | 0.817 | 79% | 0.788 | S | S | * | * | trans | 54.5 | 115.2 | 144.2 | -171.2 | -175.9 | -178.7 | -176.1 | 0 | 118 | ||||
| 11 | R | 28.6 | Very low | 43.4 | Very low | 212 Ų | 212 | 135.1 Ų | 135.1 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | trans | -107.8 | 145.3 | 131 | -151.2 | -179.8 | -159.2 | -165.8 | 10.9 | 108.5 | E13 | R11-E13 WeakPolarHBondContact CD-OE1 3.3Å; R11-E13 HydrophobicContact CG-CG 4.48Å; R11-E13 IonicContact CZ-OE1 3.74Å; R11-E13 IonicContact NE-OE1 3.95Å; R11-E13 IonicContact NH1-OE1 2.84Å; R11-E13 PolarHBondContact NH1-OE1 2.84Å | ||
| 12 | A | 43.6 | Very low | 44.2 | Very low | 76 Ų | 76 | 132.1 Ų | 132.1 | 63% | 0.628 | 74% | 0.742 | S | S | * | * | trans | -105.8 | 128.4 | 163.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 13 | E | 29 | Very low | 45.7 | Very low | 155 Ų | 155 | 127.4 Ų | 127.4 | 72% | 0.724 | 73% | 0.725 | S | S | * | * | trans | -117.9 | 140.6 | 169.8 | -69.3 | -174.4 | 166.7 | 0 | 0 | 108.2 | R11 | R11-E13 WeakPolarHBondContact CD-OE1 3.3Å; R11-E13 HydrophobicContact CG-CG 4.48Å; R11-E13 IonicContact CZ-OE1 3.74Å; R11-E13 IonicContact NE-OE1 3.95Å; R11-E13 IonicContact NH1-OE1 2.84Å; R11-E13 PolarHBondContact NH1-OE1 2.84Å | ||
| 14 | A | 37.8 | Very low | 47.3 | Very low | 101 Ų | 101 | 127.2 Ų | 127.2 | 84% | 0.835 | 72% | 0.716 | S | S | * | * | trans | -100.4 | 158 | -176.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 15 | G | 46.7 | Very low | 48.6 | Very low | 68 Ų | 68 | 122.8 Ų | 122.8 | 70% | 0.701 | 69% | 0.685 | S | S | * | * | trans | 78.6 | 37.3 | 156.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | V17 | G15-V17 PolarHBondContact O-N 2.69Š| ||
| 16 | S | 34.5 | Very low | 50.3 | Low | 117 Ų | 117 | 118.8 Ų | 118.8 | 82% | 0.818 | 67% | 0.671 | S | S | * | * | trans | -68.6 | 100.1 | 155.7 | 61 | 0 | 0 | 0 | 0 | 109 | D18 | S16-D18 VanDerWaalsContact C-N 3.31Å; S16-D18 PolarHBondContact O-N 3.06Å | ||
| 17 | V | 49.6 | Very low | 51.5 | Low | 136 Ų | 136 | 119.8 Ų | 119.8 | 82% | 0.824 | 67% | 0.665 | S | S | * | * | trans | -71.3 | 89 | 174.7 | -178.8 | 0 | 0 | 0 | 0 | 108.7 | G15 | G15-V17 PolarHBondContact O-N 2.69Š| ||
| 18 | D | 48.5 | Very low | 53.6 | Low | 100 Ų | 100 | 118.2 Ų | 118.2 | 54% | 0.535 | 65% | 0.649 | S | S | . | * | trans | -60.6 | 124 | 171.1 | -167.6 | 45 | 0 | 0 | 0 | 108.3 | S16 | S16-D18 VanDerWaalsContact C-N 3.31Å; S16-D18 PolarHBondContact O-N 3.06Å | ||
| 19 | P | 53.1 | Low | 55.3 | Low | 95 Ų | 95 | 117.7 Ų | 117.7 | 62% | 0.617 | 64% | 0.639 | S | S | * | * | trans | -58.5 | 149.7 | -177.6 | 24.2 | -34.5 | 0 | 0 | 0 | 110.4 | T21 | P19-T21 VanDerWaalsContact C-N 3.28Å; P19-T21 PolarHBondContact O-N 3.06Å | ||
| 20 | W | 57.8 | Low | 56.7 | Low | 205 Ų | 205 | 113.1 Ų | 113.1 | 78% | 0.777 | 62% | 0.623 | S | S | * | * | trans | -58.2 | 80.3 | -172 | -89.2 | 32.3 | 0 | 0 | 0 | 114 | ||||
| 21 | T | 72.8 | Confident | 57.9 | Low | 53 Ų | 53 | 108.2 Ų | 108.2 | 33% | 0.325 | 61% | 0.612 | S | S | . | * | trans | -76.1 | 144.5 | 169.5 | 59.4 | 0 | 0 | 0 | 0 | 109.3 | P19 T23 S24 N25 | P19-T21 VanDerWaalsContact C-N 3.28Å; P19-T21 PolarHBondContact O-N 3.06Å; T21-T23 PolarHBondContact O-N 2.92Å; T21-S24 PolarHBondContact O-N 3.08Å; T21-S24 WeakPolarHBondContact OG1-CB 3.5Å; T21-S24 PolarHBondContact OG1-N 2.82Å; T21-N25 PolarHBondContact O-N 2.94Å; T21-N25 VanDerWaalsContact O-N 3.14Å | ||
| 22 | P | 65.5 | Low | 59.6 | Low | 111 Ų | 111 | 101.8 Ų | 101.8 | 72% | 0.721 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -53.9 | -31.7 | 175.9 | -27.8 | 35.5 | 0 | 0 | 0 | 113 | L26 | P22-L26 VanDerWaalsContact O-CB 3.27Å; P22-L26 WeakPolarHBondContact O-CB 3.36Å; P22-L26 PolarHBondContact O-N 3.25Å |
| 23 | T | 69.4 | Low | 60.6 | Low | 92 Ų | 92 | 100.5 Ų | 100.5 | 56% | 0.564 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -69.3 | -36.6 | 176.4 | -39.4 | 0 | 0 | 0 | 0 | 113.1 | T21 K27 | T21-T23 PolarHBondContact O-N 2.92Å; T23-K27 WeakPolarHBondContact O-CB 3.48Å; T23-K27 WeakPolarHBondContact O-CG 3.36Å; T23-K27 PolarHBondContact O-N 2.84Å |
| 24 | S | 75.1 | Confident | 61.9 | Low | 44 Ų | 44 | 94.9 Ų | 94.9 | 31% | 0.308 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.7 | -47.7 | 175.5 | -168.3 | 0 | 0 | 0 | 0 | 110.6 | T21 L26 K27 M28 | T21-S24 PolarHBondContact O-N 3.08Å; T21-S24 WeakPolarHBondContact OG1-CB 3.5Å; T21-S24 PolarHBondContact OG1-N 2.82Å; S24-L26 VanDerWaalsContact C-N 3.32Å; S24-L26 PolarHBondContact O-N 2.66Å; S24-K27 WeakPolarHBondContact O-CB 3.49Å; S24-K27 PolarHBondContact O-N 3.06Å; S24-K27 VanDerWaalsContact O-N 3.14Å; S24-M28 PolarHBondContact O-N 2.9Å |
| 25 | N | 70.4 | Confident | 62.8 | Low | 41 Ų | 41 | 94.6 Ų | 94.6 | 22% | 0.219 | 56% | 0.561 | C | S | . | * | H | α-helix | trans | -60.8 | -40.2 | 176.6 | -69.8 | 9.3 | 0 | 0 | 0 | 112.2 | T21 M28 L29 | T21-N25 PolarHBondContact O-N 2.94Å; T21-N25 VanDerWaalsContact O-N 3.14Å; N25-M28 PolarHBondContact O-N 3.22Å; N25-L29 WeakPolarHBondContact O-CB 3.36Å; N25-L29 PolarHBondContact O-N 3.07Å |
| 26 | L | 74.4 | Confident | 63 | Low | 102 Ų | 102 | 98.4 Ų | 98.4 | 53% | 0.534 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.5 | -41.6 | 175 | -178.8 | 60.6 | 0 | 0 | 0 | 112.2 | P22 S24 L29 I30 | P22-L26 VanDerWaalsContact O-CB 3.27Å; P22-L26 WeakPolarHBondContact O-CB 3.36Å; P22-L26 PolarHBondContact O-N 3.25Å; S24-L26 VanDerWaalsContact C-N 3.32Å; S24-L26 PolarHBondContact O-N 2.66Å; L26-L29 PolarHBondContact O-N 3.08Å; L26-I30 HydrophobicContact CD1-CD1 3.9Å; L26-I30 HydrophobicContact CD1-CG1 4.29Å; L26-I30 HydrophobicContact CG-CD1 3.87Å; L26-I30 WeakPolarHBondContact O-CB 3.39Å; L26-I30 VanDerWaalsContact O-CG1 3.24Å; L26-I30 WeakPolarHBondContact O-CG1 3.49Å; L26-I30 PolarHBondContact O-N 3.05Å |
| 27 | K | 71 | Confident | 64.1 | Low | 148 Ų | 148 | 98 Ų | 98 | 64% | 0.643 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61.2 | -45 | 173.1 | -79.4 | 177.2 | 176.2 | -178.1 | 0 | 111.5 | T23 S24 I30 S31 | T23-K27 WeakPolarHBondContact O-CB 3.48Å; T23-K27 WeakPolarHBondContact O-CG 3.36Å; T23-K27 PolarHBondContact O-N 2.84Å; S24-K27 WeakPolarHBondContact O-CB 3.49Å; S24-K27 PolarHBondContact O-N 3.06Å; S24-K27 VanDerWaalsContact O-N 3.14Å; K27-I30 PolarHBondContact O-N 2.89Å; K27-S31 PolarHBondContact O-N 3.5Å; K27-S31 PolarHBondContact O-OG 3.26Å; K27-S31 VanDerWaalsContact O-OG 3.08Å |
| 28 | M | 81.1 | Confident | 64.5 | Low | 103 Ų | 103 | 98.4 Ų | 98.4 | 51% | 0.507 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.7 | -47.4 | 178.2 | -173.9 | 178 | 69.5 | 0 | 0 | 111.6 | S24 N25 I30 S31 A32 | S24-M28 PolarHBondContact O-N 2.9Å; N25-M28 PolarHBondContact O-N 3.22Å; M28-I30 PolarHBondContact O-N 3.35Å; M28-S31 WeakPolarHBondContact CA-OG 3.49Å; M28-S31 PolarHBondContact O-N 2.86Å; M28-S31 PolarHBondContact O-OG 3.49Å; M28-A32 WeakPolarHBondContact O-CB 3.42Å; M28-A32 PolarHBondContact O-N 2.98Å |
| 29 | L | 74.1 | Confident | 64.8 | Low | 117 Ų | 117 | 98 Ų | 98 | 61% | 0.613 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59.3 | -44.8 | 174.5 | -84.5 | 160.9 | 0 | 0 | 0 | 112.3 | N25 L26 S31 A32 A33 | N25-L29 WeakPolarHBondContact O-CB 3.36Å; N25-L29 PolarHBondContact O-N 3.07Å; L26-L29 PolarHBondContact O-N 3.08Å; L29-S31 VanDerWaalsContact C-N 3.35Å; L29-S31 PolarHBondContact O-N 3.28Å; L29-A32 PolarHBondContact O-N 3.49Å; L29-A33 WeakPolarHBondContact O-CB 3.42Å; L29-A33 PolarHBondContact O-N 2.95Å |
| 30 | I | 69.8 | Low | 65.1 | Low | 112 Ų | 112 | 102.8 Ų | 102.8 | 57% | 0.574 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.5 | -35.8 | 178.1 | -69.4 | 168 | 0 | 0 | 0 | 111.5 | L26 K27 M28 | L26-I30 HydrophobicContact CD1-CD1 3.9Å; L26-I30 HydrophobicContact CD1-CG1 4.29Å; L26-I30 HydrophobicContact CG-CD1 3.87Å; L26-I30 WeakPolarHBondContact O-CB 3.39Å; L26-I30 VanDerWaalsContact O-CG1 3.24Å; L26-I30 WeakPolarHBondContact O-CG1 3.49Å; L26-I30 PolarHBondContact O-N 3.05Å; K27-I30 PolarHBondContact O-N 2.89Å; M28-I30 PolarHBondContact O-N 3.35Å |
| 31 | S | 62.2 | Low | 64.8 | Low | 84 Ų | 84 | 98.2 Ų | 98.2 | 59% | 0.587 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -73.1 | -32.6 | 174.8 | 53.5 | 0 | 0 | 0 | 0 | 113.6 | K27 M28 L29 | K27-S31 PolarHBondContact O-N 3.5Å; K27-S31 PolarHBondContact O-OG 3.26Å; K27-S31 VanDerWaalsContact O-OG 3.08Å; M28-S31 WeakPolarHBondContact CA-OG 3.49Å; M28-S31 PolarHBondContact O-N 2.86Å; M28-S31 PolarHBondContact O-OG 3.49Å; L29-S31 VanDerWaalsContact C-N 3.35Å; L29-S31 PolarHBondContact O-N 3.28Å |
| 32 | A | 64.7 | Low | 63.7 | Low | 78 Ų | 78 | 102.1 Ų | 102.1 | 65% | 0.645 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -72.2 | -30 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | M28 L29 S34 | M28-A32 WeakPolarHBondContact O-CB 3.42Å; M28-A32 PolarHBondContact O-N 2.98Å; L29-A32 PolarHBondContact O-N 3.49Å; A32-S34 PolarHBondContact O-N 3.39Å; A32-S34 VanDerWaalsContact O-N 3.08Å |
| 33 | A | 65.3 | Low | 62.9 | Low | 49 Ų | 49 | 102.4 Ų | 102.4 | 41% | 0.405 | 53% | 0.53 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 30.7 | -178 | 0 | 0 | 0 | 0 | 0 | 114.9 | L29 I37 | L29-A33 WeakPolarHBondContact O-CB 3.42Å; L29-A33 PolarHBondContact O-N 2.95Å; A33-I37 HydrophobicContact CB-CD1 4.33Å; A33-I37 WeakPolarHBondContact O-CD1 3.34Å |
| 34 | S | 56.9 | Low | 62 | Low | 36 Ų | 36 | 105 Ų | 105 | 25% | 0.252 | 54% | 0.54 | S | S | . | . | trans | -161.6 | 95.4 | 175.9 | -79.9 | 0 | 0 | 0 | 0 | 111.5 | A32 | A32-S34 PolarHBondContact O-N 3.39Å; A32-S34 VanDerWaalsContact O-N 3.08Å | ||
| 35 | P | 55.3 | Low | 60.5 | Low | 95 Ų | 95 | 107.1 Ų | 107.1 | 62% | 0.617 | 55% | 0.554 | S | S | * | * | S | Bend | -107.2 | -50.7 | 91.6 | -16.3 | 32.8 | 0 | 0 | 0 | 115.1 | I37 R38 | P35-I37 VanDerWaalsContact C-N 3.31Å; P35-I37 PolarHBondContact O-N 2.87Å; P35-R38 PolarHBondContact O-N 3.14Å | |
| 36 | E | 51.1 | Low | 59.3 | Low | 148 Ų | 148 | 112.5 Ų | 112.5 | 69% | 0.692 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -45.3 | -47.1 | -165.4 | -92.6 | 60.3 | -158.4 | 0 | 0 | 114.8 | R38 N39 R40 | E36-R38 PolarHBondContact O-N 3.02Å; E36-N39 PolarHBondContact O-N 3.35Å; E36-R40 PolarHBondContact O-N 3.31Å |
| 37 | I | 58 | Low | 57.7 | Low | 109 Ų | 109 | 115.4 Ų | 115.4 | 56% | 0.559 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -61.1 | -33.2 | -175.7 | -48 | -173.2 | 0 | 0 | 0 | 111 | A33 P35 | A33-I37 HydrophobicContact CB-CD1 4.33Å; A33-I37 WeakPolarHBondContact O-CD1 3.34Å; P35-I37 VanDerWaalsContact C-N 3.31Å; P35-I37 PolarHBondContact O-N 2.87Å |
| 38 | R | 58 | Low | 56.4 | Low | 144 Ų | 144 | 112.7 Ų | 112.7 | 54% | 0.543 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -82.3 | -11.5 | 178.2 | -64.2 | -154.9 | -173.6 | 95.8 | 8.7 | 115.1 | P35 E36 E41 K42 | P35-R38 PolarHBondContact O-N 3.14Å; E36-R38 PolarHBondContact O-N 3.02Å; R38-E41 WeakPolarHBondContact CA-OE1 3.41Å; R38-E41 WeakPolarHBondContact CG-OE1 3.35Å; R38-K42 WeakPolarHBondContact O-CD 3.27Å; R38-K42 WeakPolarHBondContact O-CG 3.44Å |
| 39 | N | 55.9 | Low | 54.4 | Low | 93 Ų | 93 | 115.4 Ų | 115.4 | 50% | 0.497 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -85.5 | -45.4 | 173.5 | -143.1 | 59.4 | 0 | 0 | 0 | 110.1 | E36 E41 K42 E43 | E36-N39 PolarHBondContact O-N 3.35Å; N39-E41 VanDerWaalsContact C-N 3.27Å; N39-E41 PolarHBondContact O-N 2.97Å; N39-K42 WeakPolarHBondContact O-CB 3.24Å; N39-K42 PolarHBondContact O-N 3.14Å; N39-E43 PolarHBondContact ND2-OE1 3.06Å; N39-E43 PolarHBondContact O-N 3.45Å; N39-E43 VanDerWaalsContact O-N 3.14Å |
| 40 | R | 57.6 | Low | 52.8 | Low | 194 Ų | 194 | 117 Ų | 117 | 73% | 0.732 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -62.9 | -28.5 | -179.1 | -165.5 | 171.8 | -175.6 | 143.1 | 2.7 | 114 | E36 | E36-R40 PolarHBondContact O-N 3.31Å |
| 41 | E | 52.3 | Low | 51.2 | Low | 110 Ų | 110 | 122.5 Ų | 122.5 | 51% | 0.514 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -77.6 | -17 | 173.3 | 70.4 | -172.7 | 173.2 | 0 | 0 | 113.8 | R38 N39 C45 | R38-E41 WeakPolarHBondContact CA-OE1 3.41Å; R38-E41 WeakPolarHBondContact CG-OE1 3.35Å; N39-E41 VanDerWaalsContact C-N 3.27Å; N39-E41 PolarHBondContact O-N 2.97Å; E41-C45 PolarHBondContact O-SG 3.32Å |
| 42 | K | 50.7 | Low | 50 | Low | 134 Ų | 134 | 126.4 Ų | 126.4 | 58% | 0.583 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -93.2 | -38.2 | 179.9 | -70.9 | 179.7 | 178.7 | -174.8 | 0 | 113.6 | R38 N39 L44 C45 | R38-K42 WeakPolarHBondContact O-CD 3.27Å; R38-K42 WeakPolarHBondContact O-CG 3.44Å; N39-K42 WeakPolarHBondContact O-CB 3.24Å; N39-K42 PolarHBondContact O-N 3.14Å; K42-L44 PolarHBondContact O-N 2.79Å; K42-C45 WeakPolarHBondContact O-CB 3.47Å; K42-C45 PolarHBondContact O-N 3.01Å |
| 43 | E | 48.5 | Very low | 48.7 | Very low | 117 Ų | 117 | 125.2 Ų | 125.2 | 55% | 0.547 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -58.6 | -39.3 | 175.4 | -71.1 | 165 | -178.1 | 0 | 0 | 110.4 | N39 C45 | N39-E43 PolarHBondContact ND2-OE1 3.06Å; N39-E43 PolarHBondContact O-N 3.45Å; N39-E43 VanDerWaalsContact O-N 3.14Å; E43-C45 PolarHBondContact O-N 3.09Å |
| 44 | L | 50.6 | Low | 47.3 | Very low | 146 Ų | 146 | 131.6 Ų | 131.6 | 76% | 0.764 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | 3.2 | 174.1 | -69.3 | 172.7 | 0 | 0 | 0 | 115.6 | K42 | K42-L44 PolarHBondContact O-N 2.79Š|
| 45 | C | 43.2 | Very low | 46.3 | Very low | 89 Ų | 89 | 136.3 Ų | 136.3 | 60% | 0.601 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.1 | 5 | -176.9 | -66.7 | 0 | 0 | 0 | 0 | 114.6 | E41 K42 E43 | E41-C45 PolarHBondContact O-SG 3.32Å; K42-C45 WeakPolarHBondContact O-CB 3.47Å; K42-C45 PolarHBondContact O-N 3.01Å; E43-C45 PolarHBondContact O-N 3.09Å |
| 46 | M | 45.4 | Very low | 45.5 | Very low | 155 Ų | 155 | 137.5 Ų | 137.5 | 76% | 0.764 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.8 | -21.2 | -174 | -61.3 | -89 | 67.6 | 0 | 0 | 115.4 | A48 | M46-A48 VanDerWaalsContact C-N 3.34Å; M46-A48 PolarHBondContact O-N 3.37Å |
| 47 | D | 40.3 | Very low | 44.9 | Very low | 163 Ų | 163 | 136.4 Ų | 136.4 | 87% | 0.872 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -92.3 | 36.6 | -178.4 | -68.5 | -61.5 | 0 | 0 | 0 | 114 | ||
| 48 | A | 43.7 | Very low | 43.7 | Very low | 91 Ų | 91 | 140.1 Ų | 140.1 | 75% | 0.752 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -124.1 | 7.5 | -169 | 0 | 0 | 0 | 0 | 0 | 115.7 | M46 | M46-A48 VanDerWaalsContact C-N 3.34Å; M46-A48 PolarHBondContact O-N 3.37Å |
| 49 | D | 39.5 | Very low | 42.5 | Very low | 160 Ų | 160 | 140.2 Ų | 140.2 | 86% | 0.856 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -145.1 | 52.3 | -175.6 | -160.5 | 26 | 0 | 0 | 0 | 113.2 | ||
| 50 | D | 39.7 | Very low | 41.4 | Very low | 151 Ų | 151 | 141.7 Ų | 141.7 | 81% | 0.807 | 75% | 0.754 | S | S | * | * | trans | -160.2 | 145.8 | 153.1 | -141.4 | -31.1 | 0 | 0 | 0 | 112.7 | ||||
| 51 | R | 37.2 | Very low | 40.3 | Very low | 227 Ų | 227 | 141.7 Ų | 141.7 | 86% | 0.857 | 76% | 0.762 | S | S | * | * | trans | 106.6 | 105.6 | 175.3 | -60.8 | -91.1 | -140.8 | -67.7 | -14.4 | 117.5 | ||||
| 52 | D | 36.3 | Very low | 39.1 | Very low | 166 Ų | 166 | 144.4 Ų | 144.4 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | trans | -86.5 | 159.1 | 160.6 | -179.9 | 29.8 | 0 | 0 | 0 | 111.5 | ||||
| 53 | G | 36.9 | Very low | 38.6 | Very low | 53 Ų | 53 | 141.3 Ų | 141.3 | 55% | 0.546 | 79% | 0.786 | S | S | . | * | trans | 92.9 | 126.6 | 155.7 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 54 | L | 36.9 | Very low | 37.8 | Very low | 182 Ų | 182 | 142.3 Ų | 142.3 | 95% | 0.953 | 80% | 0.795 | S | S | * | * | trans | 91.1 | 136.4 | 151.6 | -52.1 | 178.9 | 0 | 0 | 0 | 120.5 | ||||
| 55 | D | 34.4 | Very low | 37.5 | Very low | 136 Ų | 136 | 144.8 Ų | 144.8 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -90.2 | 140.2 | 172.5 | -173.2 | -22.2 | 0 | 0 | 0 | 109 | T57 | D55-T57 PolarHBondContact OD1-N 3.02Š| ||
| 56 | P | 38.7 | Very low | 37.3 | Very low | 120 Ų | 120 | 144.4 Ų | 144.4 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | -141.6 | 146.6 | 121 | 37 | -24.3 | 0 | 0 | 0 | 115.5 | |||||
| 57 | T | 38.9 | Very low | 37.3 | Very low | 125 Ų | 125 | 146.2 Ų | 146.2 | 77% | 0.767 | 81% | 0.808 | S | S | * | * | trans | -64 | 126.6 | 170 | -58.9 | 0 | 0 | 0 | 0 | 113.5 | D55 | D55-T57 PolarHBondContact OD1-N 3.02Š| ||
| 58 | Q | 32.6 | Very low | 37.5 | Very low | 186 Ų | 186 | 147.3 Ų | 147.3 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | trans | -161 | 156.9 | 138.5 | -127.5 | 178 | -18.3 | 0 | 0 | 114 | ||||
| 59 | D | 32.2 | Very low | 37.5 | Very low | 146 Ų | 146 | 151.8 Ų | 151.8 | 78% | 0.781 | 81% | 0.813 | S | S | * | * | trans | -75.4 | 149.2 | -174.1 | -49.5 | -95.9 | 0 | 0 | 0 | 114.7 | ||||
| 60 | S | 33.6 | Very low | 37.9 | Very low | 124 Ų | 124 | 148.7 Ų | 148.7 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | trans | -159.3 | 131.8 | 147.9 | -80.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 61 | E | 34.2 | Very low | 39.3 | Very low | 195 Ų | 195 | 144.2 Ų | 144.2 | 91% | 0.911 | 78% | 0.779 | S | S | * | * | trans | -71.1 | 146.5 | 166.1 | -69.6 | -179.7 | 77.2 | 0 | 0 | 111 | ||||
| 62 | N | 27.7 | Very low | 40.6 | Very low | 167 Ų | 167 | 144.9 Ų | 144.9 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | 152.8 | 157.1 | 120.8 | -161 | 6.1 | 0 | 0 | 0 | 110.1 | |||||
| 63 | G | 40 | Very low | 42.3 | Very low | 69 Ų | 69 | 144.3 Ų | 144.3 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | trans | -80.6 | 141.7 | -165.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 64 | D | 32 | Very low | 43.7 | Very low | 138 Ų | 138 | 145.4 Ų | 145.4 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | trans | -132.5 | 105.6 | 139.3 | -171 | 1.1 | 0 | 0 | 0 | 108.7 | S66 | D64-S66 PolarHBondContact O-N 3.2Š| ||
| 65 | E | 43.5 | Very low | 45.6 | Very low | 197 Ų | 197 | 144.2 Ų | 144.2 | 92% | 0.921 | 75% | 0.752 | S | S | * | * | trans | -78.7 | 55.2 | 176.2 | 54.3 | -174.3 | 103.7 | 0 | 0 | 111.4 | ||||
| 66 | S | 39 | Very low | 47.7 | Very low | 81 Ų | 81 | 139.6 Ų | 139.6 | 57% | 0.566 | 73% | 0.73 | S | S | * | * | trans | -44.6 | 132.2 | -174.3 | 48.7 | 0 | 0 | 0 | 0 | 114.2 | D64 K68 | D64-S66 PolarHBondContact O-N 3.2Å; S66-K68 VanDerWaalsContact C-N 3.31Å; S66-K68 PolarHBondContact O-N 2.94Å | ||
| 67 | E | 45.8 | Very low | 49.3 | Very low | 194 Ų | 194 | 135.5 Ų | 135.5 | 91% | 0.907 | 70% | 0.702 | S | S | * | * | trans | -67 | 75.3 | -170.1 | -63.5 | -167.3 | 124.6 | 0 | 0 | 113.9 | M69 | E67-M69 PolarHBondContact O-N 3.01Š| ||
| 68 | K | 43.9 | Very low | 50.8 | Low | 186 Ų | 186 | 130.3 Ų | 130.3 | 81% | 0.809 | 67% | 0.673 | S | S | * | * | trans | -59 | 103.7 | 165.7 | -95.6 | 175.2 | 178.1 | 160 | 0 | 109.2 | S66 V70 | S66-K68 VanDerWaalsContact C-N 3.31Å; S66-K68 PolarHBondContact O-N 2.94Å; K68-V70 WeakPolarHBondContact O-CG2 3.46Å; K68-V70 PolarHBondContact O-N 2.65Å | ||
| 69 | M | 44.4 | Very low | 52.9 | Low | 185 Ų | 185 | 124.5 Ų | 124.5 | 91% | 0.911 | 65% | 0.648 | S | S | * | * | trans | -48.3 | 97.7 | 179 | -65.2 | -173 | 118.2 | 0 | 0 | 111.1 | E67 S71 | E67-M69 PolarHBondContact O-N 3.01Å; M69-S71 PolarHBondContact O-N 3.4Å | ||
| 70 | V | 47.4 | Very low | 54.8 | Low | 95 Ų | 95 | 118.9 Ų | 118.9 | 58% | 0.576 | 62% | 0.618 | S | S | * | * | trans | -64.7 | 105.9 | -167.5 | -177.4 | 0 | 0 | 0 | 0 | 110.1 | K68 D74 K75 | K68-V70 WeakPolarHBondContact O-CG2 3.46Å; K68-V70 PolarHBondContact O-N 2.65Å; V70-D74 HydrophobicContact CG1-CB 4.31Å; V70-K75 HydrophobicContact CG1-CD 4.4Å; V70-K75 HydrophobicContact CG1-CG 4.5Å | ||
| 71 | S | 70.3 | Confident | 56.6 | Low | 56 Ų | 56 | 113.3 Ų | 113.3 | 39% | 0.392 | 58% | 0.578 | S | S | . | * | trans | -68.5 | 150.3 | -174.1 | -173.5 | 0 | 0 | 0 | 0 | 110.2 | M69 K73 D74 | M69-S71 PolarHBondContact O-N 3.4Å; S71-K73 PolarHBondContact O-N 3Å; S71-K73 PolarHBondContact OG-N 3.47Å; S71-D74 WeakPolarHBondContact CA-OD2 3.3Å; S71-D74 WeakPolarHBondContact CB-OD2 3.44Å; S71-D74 PolarHBondContact N-OD2 3.45Å; S71-D74 WeakPolarHBondContact O-CB 3.3Å; S71-D74 PolarHBondContact O-N 3.27Å | ||
| 72 | R | 64.1 | Low | 58.2 | Low | 241 Ų | 241 | 108.5 Ų | 108.5 | 91% | 0.909 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | -18 | 168.6 | -63.9 | -177 | -179.9 | -176.8 | 1 | 112 | ||
| 73 | K | 71.9 | Confident | 60.3 | Low | 155 Ų | 155 | 106 Ų | 106 | 67% | 0.674 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -32.5 | 171.7 | -166.3 | -177.8 | 178.1 | -169.6 | 0 | 112.7 | S71 K75 S76 | S71-K73 PolarHBondContact O-N 3Å; S71-K73 PolarHBondContact OG-N 3.47Å; K73-K75 VanDerWaalsContact C-N 3.34Å; K73-K75 PolarHBondContact O-N 3.14Å; K73-S76 WeakPolarHBondContact O-CB 3.39Å; K73-S76 PolarHBondContact O-N 2.94Å; K73-S76 VanDerWaalsContact O-N 3.1Å; K73-S76 PolarHBondContact O-OG 3.25Å |
| 74 | D | 67 | Low | 61.6 | Low | 75 Ų | 75 | 103.6 Ų | 103.6 | 40% | 0.401 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -20.5 | -170.1 | -49.2 | -26 | 0 | 0 | 0 | 111.9 | V70 S71 | V70-D74 HydrophobicContact CG1-CB 4.31Å; S71-D74 WeakPolarHBondContact CA-OD2 3.3Å; S71-D74 WeakPolarHBondContact CB-OD2 3.44Å; S71-D74 PolarHBondContact N-OD2 3.45Å; S71-D74 WeakPolarHBondContact O-CB 3.3Å; S71-D74 PolarHBondContact O-N 3.27Å |
| 75 | K | 76.3 | Confident | 63.2 | Low | 158 Ų | 158 | 99 Ų | 99 | 69% | 0.687 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | 17 | 168.4 | -64.1 | 176.4 | 177.3 | 169.7 | 0 | 112.3 | V70 K73 | V70-K75 HydrophobicContact CG1-CD 4.4Å; V70-K75 HydrophobicContact CG1-CG 4.5Å; K73-K75 VanDerWaalsContact C-N 3.34Å; K73-K75 PolarHBondContact O-N 3.14Å |
| 76 | S | 77.4 | Confident | 64.5 | Low | 38 Ų | 38 | 93.7 Ų | 93.7 | 27% | 0.266 | 47% | 0.471 | S | S | . | . | trans | -74.7 | 142.4 | -178 | 71.5 | 0 | 0 | 0 | 0 | 112.3 | K73 G78 L79 L80 | K73-S76 WeakPolarHBondContact O-CB 3.39Å; K73-S76 PolarHBondContact O-N 2.94Å; K73-S76 VanDerWaalsContact O-N 3.1Å; K73-S76 PolarHBondContact O-OG 3.25Å; S76-G78 PolarHBondContact O-N 2.86Å; S76-G78 VanDerWaalsContact O-N 3.17Å; S76-L79 PolarHBondContact O-N 2.96Å; S76-L79 VanDerWaalsContact O-N 3.09Å; S76-L79 WeakPolarHBondContact OG-CB 3.12Å; S76-L79 PolarHBondContact OG-N 3.01Å; S76-L79 VanDerWaalsContact OG-N 3.17Å; S76-L80 WeakPolarHBondContact O-CG 3.38Å; S76-L80 PolarHBondContact O-N 3.12Å | ||
| 77 | L | 72.4 | Confident | 65.6 | Low | 34 Ų | 34 | 95.8 Ų | 95.8 | 18% | 0.178 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -57.3 | -29.6 | 174.2 | 179.5 | 55.8 | 0 | 0 | 0 | 112.3 | C81 L114 D270 V274 | L77-C81 VanDerWaalsContact O-CB 3.26Å; L77-C81 WeakPolarHBondContact O-CB 3.28Å; L77-C81 PolarHBondContact O-N 3.33Å; L77-L114 HydrophobicContact CD1-CD2 4.29Å; L77-D270 HydrophobicContact CD2-CB 4.18Å; L77-V274 HydrophobicContact CD1-CG2 4.18Å; L77-V274 HydrophobicContact CD2-CG2 3.86Å; L77-V274 HydrophobicContact CG-CG2 3.9Å |
| 78 | G | 71.6 | Confident | 66.1 | Low | 16 Ų | 16 | 89.4 Ų | 89.4 | 17% | 0.165 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -62.3 | -56.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S76 L80 C81 H82 S277 | S76-G78 PolarHBondContact O-N 2.86Å; S76-G78 VanDerWaalsContact O-N 3.17Å; G78-L80 VanDerWaalsContact C-N 3.31Å; G78-L80 PolarHBondContact O-N 3.07Å; G78-C81 WeakPolarHBondContact O-CB 3.42Å; G78-C81 PolarHBondContact O-N 3.24Å; G78-C81 VanDerWaalsContact O-N 3.12Å; G78-H82 PolarHBondContact O-N 3.43Å; G78-H82 PolarHBondContact O-ND1 3.18Å; G78-S277 WeakPolarHBondContact CA-OG 3.32Å |
| 79 | L | 75.8 | Confident | 66.6 | Low | 65 Ų | 65 | 83.9 Ų | 83.9 | 34% | 0.34 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.1 | -39.2 | -179.9 | -175.7 | 62.1 | 0 | 0 | 0 | 112.1 | S76 C81 H82 K83 | S76-L79 PolarHBondContact O-N 2.96Å; S76-L79 VanDerWaalsContact O-N 3.09Å; S76-L79 WeakPolarHBondContact OG-CB 3.12Å; S76-L79 PolarHBondContact OG-N 3.01Å; S76-L79 VanDerWaalsContact OG-N 3.17Å; L79-C81 VanDerWaalsContact C-N 3.32Å; L79-C81 PolarHBondContact O-N 3.25Å; L79-H82 PolarHBondContact O-N 3.06Å; L79-K83 WeakPolarHBondContact O-CG 3.28Å; L79-K83 PolarHBondContact O-N 2.86Å |
| 80 | L | 73.3 | Confident | 66.6 | Low | 28 Ų | 28 | 82.6 Ų | 82.6 | 15% | 0.147 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -62.5 | -38.2 | 174.7 | -68.9 | 167.1 | 0 | 0 | 0 | 112.2 | S76 G78 F84 T110 L114 | S76-L80 WeakPolarHBondContact O-CG 3.38Å; S76-L80 PolarHBondContact O-N 3.12Å; G78-L80 VanDerWaalsContact C-N 3.31Å; G78-L80 PolarHBondContact O-N 3.07Å; L80-F84 WeakPolarHBondContact O-CB 3.44Å; L80-F84 PolarHBondContact O-N 2.76Å; L80-T110 HydrophobicContact CD1-CG2 3.73Å; L80-T110 HydrophobicContact CD2-CG2 3.69Å; L80-T110 HydrophobicContact CG-CG2 4.27Å; L80-L114 HydrophobicContact CD1-CD1 3.74Å |
| 81 | C | 69.9 | Low | 66.2 | Low | 6 Ų | 6 | 86.7 Ų | 86.7 | 4% | 0.041 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -66.4 | -39.9 | 173.6 | -167.6 | 0 | 0 | 0 | 0 | 112.1 | L77 G78 L79 F84 L85 | L77-C81 VanDerWaalsContact O-CB 3.26Å; L77-C81 WeakPolarHBondContact O-CB 3.28Å; L77-C81 PolarHBondContact O-N 3.33Å; G78-C81 WeakPolarHBondContact O-CB 3.42Å; G78-C81 PolarHBondContact O-N 3.24Å; G78-C81 VanDerWaalsContact O-N 3.12Å; L79-C81 VanDerWaalsContact C-N 3.32Å; L79-C81 PolarHBondContact O-N 3.25Å; C81-F84 PolarHBondContact O-N 3.21Å; C81-L85 WeakPolarHBondContact O-CB 3.41Å; C81-L85 WeakPolarHBondContact O-CD1 3.39Å; C81-L85 VanDerWaalsContact O-CG 3.23Å; C81-L85 WeakPolarHBondContact O-CG 3.44Å; C81-L85 PolarHBondContact O-N 3.41Å |
| 82 | H | 68 | Low | 65.1 | Low | 94 Ų | 94 | 86 Ų | 86 | 44% | 0.435 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -68.2 | -41 | 175.6 | -68.3 | 78.4 | 0 | 0 | 0 | 111.7 | G78 L79 F84 L85 A86 S277 | G78-H82 PolarHBondContact O-N 3.43Å; G78-H82 PolarHBondContact O-ND1 3.18Å; L79-H82 PolarHBondContact O-N 3.06Å; H82-F84 VanDerWaalsContact C-N 3.34Å; H82-F84 PolarHBondContact O-N 3.31Å; H82-L85 PolarHBondContact O-N 2.62Å; H82-A86 VanDerWaalsContact O-CB 3.32Å; H82-A86 WeakPolarHBondContact O-CB 3.27Å; H82-A86 PolarHBondContact O-N 3.31Å; H82-S277 WeakPolarHBondContact CE1-CB 3.48Å; H82-S277 PolarHBondContact CE1-OG 3.05Å; H82-S277 VanDerWaalsContact CE1-OG 3.31Å |
| 83 | K | 72.9 | Confident | 63.9 | Low | 116 Ų | 116 | 80.6 Ų | 80.6 | 50% | 0.504 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.9 | -39.7 | 173.7 | -75.4 | -169.7 | 172.8 | -166.4 | 0 | 112.3 | L79 L108 | L79-K83 WeakPolarHBondContact O-CG 3.28Å; L79-K83 PolarHBondContact O-N 2.86Å; K83-L108 HydrophobicContact CB-CD2 3.8Å; K83-L108 HydrophobicContact CD-CD2 4.05Å |
| 84 | F | 66.9 | Low | 62.5 | Low | 18 Ų | 18 | 79.1 Ų | 79.1 | 8% | 0.079 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -64.2 | -47.3 | 174.4 | 178.2 | -93.5 | 0 | 0 | 0 | 111.6 | L80 C81 H82 A86 R87 Y88 L101 V104 L108 L118 | L80-F84 WeakPolarHBondContact O-CB 3.44Å; L80-F84 PolarHBondContact O-N 2.76Å; C81-F84 PolarHBondContact O-N 3.21Å; H82-F84 VanDerWaalsContact C-N 3.34Å; H82-F84 PolarHBondContact O-N 3.31Å; F84-A86 PolarHBondContact O-N 2.92Å; F84-R87 PolarHBondContact O-N 3.24Å; F84-Y88 HydrophobicContact CD1-CE2 4.14Å; F84-Y88 HydrophobicContact CE1-CD2 4.34Å; F84-Y88 AromaticContact CE1-CE2 3.58Å; F84-Y88 HydrophobicContact CE1-CE2 3.58Å; F84-Y88 HydrophobicContact CE2-CE2 4.04Å; F84-Y88 AromaticContact CZ-CE2 3.52Å; F84-Y88 HydrophobicContact CZ-CE2 3.52Å; F84-Y88 AromaticContact CZ-CZ 3.98Å; F84-Y88 WeakPolarHBondContact O-CD2 3.18Å; F84-L101 HydrophobicContact CE2-CD2 4.13Å; F84-L101 HydrophobicContact CZ-CD2 4.29Å; F84-V104 HydrophobicContact CD2-CG1 3.87Å; F84-V104 HydrophobicContact CE2-CG1 4.27Å; F84-L108 HydrophobicContact CB-CD1 4.3Å; F84-L118 HydrophobicContact CB-CD2 4.47Å; F84-L118 HydrophobicContact CD1-CD2 3.88Å; F84-L118 HydrophobicContact CD2-CD2 3.69Å; F84-L118 HydrophobicContact CE1-CD2 3.98Å; F84-L118 HydrophobicContact CE2-CD2 3.8Å; F84-L118 HydrophobicContact CG-CD2 3.74Å; F84-L118 HydrophobicContact CZ-CD2 3.94Å |
| 85 | L | 65.9 | Low | 61.4 | Low | 42 Ų | 42 | 81.2 Ų | 81.2 | 22% | 0.22 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -62.5 | -41.1 | 178.3 | -70.7 | 164.6 | 0 | 0 | 0 | 111.8 | C81 H82 R87 Y88 F142 L278 | C81-L85 WeakPolarHBondContact O-CB 3.41Å; C81-L85 WeakPolarHBondContact O-CD1 3.39Å; C81-L85 VanDerWaalsContact O-CG 3.23Å; C81-L85 WeakPolarHBondContact O-CG 3.44Å; C81-L85 PolarHBondContact O-N 3.41Å; H82-L85 PolarHBondContact O-N 2.62Å; L85-R87 PolarHBondContact O-N 3.44Å; L85-Y88 PolarHBondContact O-N 2.91Å; L85-Y88 VanDerWaalsContact O-O 3.09Å; L85-F142 HydrophobicContact CD2-CE1 4.41Å; L85-L278 HydrophobicContact CD1-CD2 3.91Å; L85-L278 HydrophobicContact CD2-CD2 3.83Å; L85-L278 HydrophobicContact CG-CD2 4.45Å |
| 86 | A | 71.2 | Confident | 59.8 | Low | 84 Ų | 84 | 80.6 Ų | 80.6 | 69% | 0.694 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -2.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | H82 F84 | H82-A86 VanDerWaalsContact O-CB 3.32Å; H82-A86 WeakPolarHBondContact O-CB 3.27Å; H82-A86 PolarHBondContact O-N 3.31Å; F84-A86 PolarHBondContact O-N 2.92Å |
| 87 | R | 61.2 | Low | 58 | Low | 126 Ų | 126 | 83.6 Ų | 83.6 | 48% | 0.475 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -11 | 167.6 | -67.4 | -61.9 | -120.9 | 156.3 | -0.2 | 113.2 | F84 L85 I99 E107 | F84-R87 PolarHBondContact O-N 3.24Å; L85-R87 PolarHBondContact O-N 3.44Å; R87-I99 WeakPolarHBondContact O-CD1 3.38Å; R87-E107 IonicContact CZ-OE1 3.04Å; R87-E107 IonicContact CZ-OE2 2.65Å; R87-E107 VanDerWaalsContact CZ-OE2 3.3Å; R87-E107 IonicContact NE-OE2 3.59Å; R87-E107 PolarHBondContact NE-OE2 2.87Å; R87-E107 IonicContact NH2-OE1 3.7Å; R87-E107 PolarHBondContact NH2-OE1 3.42Å; R87-E107 IonicContact NH2-OE2 2.84Å; R87-E107 PolarHBondContact NH2-OE2 3.29Å |
| 88 | Y | 55.7 | Low | 56.5 | Low | 60 Ų | 60 | 87.5 Ų | 87.5 | 24% | 0.235 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -102.2 | 120.8 | 170.5 | -62.5 | -87.4 | 0 | 0 | 0 | 108.3 | F84 L85 I99 | F84-Y88 HydrophobicContact CD1-CE2 4.14Å; F84-Y88 HydrophobicContact CE1-CD2 4.34Å; F84-Y88 AromaticContact CE1-CE2 3.58Å; F84-Y88 HydrophobicContact CE1-CE2 3.58Å; F84-Y88 HydrophobicContact CE2-CE2 4.04Å; F84-Y88 AromaticContact CZ-CE2 3.52Å; F84-Y88 HydrophobicContact CZ-CE2 3.52Å; F84-Y88 AromaticContact CZ-CZ 3.98Å; F84-Y88 WeakPolarHBondContact O-CD2 3.18Å; L85-Y88 PolarHBondContact O-N 2.91Å; L85-Y88 VanDerWaalsContact O-O 3.09Å; Y88-I99 HydrophobicContact CD1-CD1 4.47Å; Y88-I99 HydrophobicContact CE1-CD1 4.39Å |
| 89 | P | 54.6 | Low | 55.6 | Low | 69 Ų | 69 | 89.4 Ų | 89.4 | 45% | 0.448 | 48% | 0.476 | S | S | . | . | trans | -67.3 | 147.8 | 174.3 | 29.8 | -34.8 | 0 | 0 | 0 | 110.2 | Y91 P92 N143 | P89-Y91 PolarHBondContact O-N 3.38Å; P89-Y91 VanDerWaalsContact O-N 3.16Å; P89-P92 HydrophobicContact CG-CB 4.32Å; P89-N143 PolarHBondContact O-ND2 2.91Å | ||
| 90 | D | 45.4 | Very low | 54.4 | Low | 159 Ų | 159 | 89 Ų | 89 | 85% | 0.85 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -62.9 | -19.6 | 176.8 | -65 | -67.2 | 0 | 0 | 0 | 112.6 | N143 | D90-N143 PolarHBondContact O-ND2 3.19Š|
| 91 | Y | 39.1 | Very low | 53.4 | Low | 180 Ų | 180 | 91.5 Ų | 91.5 | 71% | 0.706 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -134.2 | 112.6 | 169.6 | -166.3 | -93.2 | 0 | 0 | 0 | 109.2 | P89 | P89-Y91 PolarHBondContact O-N 3.38Å; P89-Y91 VanDerWaalsContact O-N 3.16Å |
| 92 | P | 47.5 | Very low | 52.7 | Low | 41 Ų | 41 | 96.6 Ų | 96.6 | 27% | 0.266 | 52% | 0.518 | S | S | . | . | trans | -89.4 | 115.4 | 174.3 | 31.8 | -22.4 | 0 | 0 | 0 | 108.8 | P89 | P89-P92 HydrophobicContact CG-CB 4.32Š| ||
| 93 | D | 37.8 | Very low | 52.1 | Low | 129 Ų | 129 | 97.3 Ų | 97.3 | 69% | 0.69 | 53% | 0.525 | S | S | * | . | trans | -58.7 | 145.6 | 164.5 | -73.7 | -46.2 | 0 | 0 | 0 | 109.5 | V95 | D93-V95 PolarHBondContact O-N 2.79Š| ||
| 94 | S | 43.5 | Very low | 51.3 | Low | 124 Ų | 124 | 92.2 Ų | 92.2 | 87% | 0.867 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -72.3 | 23.8 | -160.1 | 49.2 | 0 | 0 | 0 | 0 | 116.3 | ||
| 95 | V | 42.6 | Very low | 50.7 | Low | 119 Ų | 119 | 92.1 Ų | 92.1 | 72% | 0.721 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -108.7 | 77.8 | -179.9 | -172.4 | 0 | 0 | 0 | 0 | 110.5 | D93 T97 | D93-V95 PolarHBondContact O-N 2.79Å; V95-T97 PolarHBondContact O-N 3.12Å |
| 96 | L | 43.3 | Very low | 50.2 | Low | 145 Ų | 145 | 95.7 Ų | 95.7 | 76% | 0.759 | 53% | 0.53 | S | S | * | . | trans | 19.5 | 66.2 | 155.8 | -62.7 | 175.2 | 0 | 0 | 0 | 117.2 | D98 | L96-D98 VanDerWaalsContact C-N 3.28Å; L96-D98 PolarHBondContact O-N 3.02Å | ||
| 97 | T | 40.5 | Very low | 49.4 | Very low | 100 Ų | 100 | 96.9 Ų | 96.9 | 61% | 0.613 | 52% | 0.521 | S | S | * | . | trans | -77.7 | 82.5 | 163.8 | 56.6 | 0 | 0 | 0 | 0 | 109.3 | V95 I99 | V95-T97 PolarHBondContact O-N 3.12Å; T97-I99 PolarHBondContact O-N 3.23Å | ||
| 98 | D | 40.9 | Very low | 49.1 | Very low | 117 Ų | 117 | 92.1 Ų | 92.1 | 63% | 0.626 | 51% | 0.505 | S | S | * | . | trans | -68.2 | 75.4 | 169.3 | -88.4 | -33.9 | 0 | 0 | 0 | 110 | L96 C100 H140 | L96-D98 VanDerWaalsContact C-N 3.28Å; L96-D98 PolarHBondContact O-N 3.02Å; D98-C100 PolarHBondContact O-N 3.27Å; D98-H140 IonicContact OD1-CE1 3.06Å; D98-H140 IonicContact OD1-ND1 3.25Å | ||
| 99 | I | 51.2 | Low | 48.4 | Very low | 55 Ų | 55 | 94.7 Ų | 94.7 | 28% | 0.282 | 53% | 0.532 | S | S | . | . | trans | -67.8 | 97.5 | 175.8 | -61.1 | 175.5 | 0 | 0 | 0 | 107.9 | R87 Y88 T97 L101 V104 | R87-I99 WeakPolarHBondContact O-CD1 3.38Å; Y88-I99 HydrophobicContact CD1-CD1 4.47Å; Y88-I99 HydrophobicContact CE1-CD1 4.39Å; T97-I99 PolarHBondContact O-N 3.23Å; I99-L101 PolarHBondContact O-N 2.65Å; I99-V104 HydrophobicContact CG2-CG2 3.36Å | ||
| 100 | C | 50.8 | Low | 48 | Very low | 58 Ų | 58 | 92.7 Ų | 92.7 | 39% | 0.392 | 52% | 0.519 | S | S | . | . | trans | -61 | 125.2 | 178.5 | -172.8 | 0 | 0 | 0 | 0 | 110.2 | D98 D102 D103 V104 | D98-C100 PolarHBondContact O-N 3.27Å; C100-D102 PolarHBondContact O-N 3Å; C100-D103 HydrophobicContact CB-CB 4.48Å; C100-D103 WeakPolarHBondContact CB-OD2 3.42Å; C100-D103 PolarHBondContact O-N 3.43Å; C100-D103 VanDerWaalsContact O-N 3.14Å; C100-V104 PolarHBondContact O-N 3.05Å | ||
| 101 | L | 53.3 | Low | 48.2 | Very low | 79 Ų | 79 | 89.1 Ų | 89.1 | 41% | 0.414 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.6 | -24.7 | -178.5 | -66.3 | 175.3 | 0 | 0 | 0 | 112.6 | F84 I99 A105 | F84-L101 HydrophobicContact CE2-CD2 4.13Å; F84-L101 HydrophobicContact CZ-CD2 4.29Å; I99-L101 PolarHBondContact O-N 2.65Å; L101-A105 WeakPolarHBondContact O-CB 3.44Å; L101-A105 PolarHBondContact O-N 3.1Å |
| 102 | D | 55.1 | Low | 48.6 | Very low | 114 Ų | 114 | 83.7 Ų | 83.7 | 61% | 0.61 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -74.8 | -33 | 178.5 | -64.9 | -40.1 | 0 | 0 | 0 | 112.1 | C100 A105 T106 | C100-D102 PolarHBondContact O-N 3Å; D102-A105 PolarHBondContact O-N 2.84Å; D102-T106 VanDerWaalsContact O-CB 3.32Å; D102-T106 WeakPolarHBondContact O-CB 3.46Å; D102-T106 WeakPolarHBondContact O-CG2 3.39Å; D102-T106 PolarHBondContact O-N 3.39Å |
| 103 | D | 55.2 | Low | 48.4 | Very low | 108 Ų | 108 | 85.9 Ų | 85.9 | 58% | 0.578 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -70.2 | -44.9 | 175.3 | -65.5 | -38.9 | 0 | 0 | 0 | 111 | C100 A105 T106 E107 | C100-D103 HydrophobicContact CB-CB 4.48Å; C100-D103 WeakPolarHBondContact CB-OD2 3.42Å; C100-D103 PolarHBondContact O-N 3.43Å; C100-D103 VanDerWaalsContact O-N 3.14Å; D103-A105 VanDerWaalsContact C-N 3.29Å; D103-A105 PolarHBondContact O-N 2.9Å; D103-T106 WeakPolarHBondContact O-CB 3.44Å; D103-T106 PolarHBondContact O-N 2.87Å; D103-E107 WeakPolarHBondContact O-CB 3.24Å; D103-E107 PolarHBondContact O-N 3.08Å |
| 104 | V | 56.2 | Low | 48.9 | Very low | 9 Ų | 9 | 81.9 Ų | 81.9 | 6% | 0.055 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -63.9 | -34.9 | 173.5 | 179.2 | 0 | 0 | 0 | 0 | 111.3 | F84 I99 C100 L108 | F84-V104 HydrophobicContact CD2-CG1 3.87Å; F84-V104 HydrophobicContact CE2-CG1 4.27Å; I99-V104 HydrophobicContact CG2-CG2 3.36Å; C100-V104 PolarHBondContact O-N 3.05Å; V104-L108 HydrophobicContact CG1-CD1 3.72Å; V104-L108 HydrophobicContact CG1-CG 4.22Å; V104-L108 VanDerWaalsContact O-CB 3.3Å; V104-L108 WeakPolarHBondContact O-CB 3.45Å; V104-L108 VanDerWaalsContact O-CG 3.25Å; V104-L108 WeakPolarHBondContact O-CG 3.36Å; V104-L108 PolarHBondContact O-N 2.95Å |
| 105 | A | 53.6 | Low | 49.2 | Very low | 17 Ų | 17 | 79.6 Ų | 79.6 | 14% | 0.14 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -67.9 | -38.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | L101 D102 D103 S109 Q115 | L101-A105 WeakPolarHBondContact O-CB 3.44Å; L101-A105 PolarHBondContact O-N 3.1Å; D102-A105 PolarHBondContact O-N 2.84Å; D103-A105 VanDerWaalsContact C-N 3.29Å; D103-A105 PolarHBondContact O-N 2.9Å; A105-S109 PolarHBondContact O-N 2.63Å; A105-Q115 HydrophobicContact CB-CG 4.24Å |
| 106 | T | 55.6 | Low | 49.5 | Very low | 116 Ų | 116 | 78.4 Ų | 78.4 | 71% | 0.712 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -62.1 | -52.2 | 173.5 | 148.7 | 0 | 0 | 0 | 0 | 110.8 | D102 D103 L108 S109 | D102-T106 VanDerWaalsContact O-CB 3.32Å; D102-T106 WeakPolarHBondContact O-CB 3.46Å; D102-T106 WeakPolarHBondContact O-CG2 3.39Å; D102-T106 PolarHBondContact O-N 3.39Å; D103-T106 WeakPolarHBondContact O-CB 3.44Å; D103-T106 PolarHBondContact O-N 2.87Å; T106-L108 PolarHBondContact O-N 3.41Å; T106-S109 PolarHBondContact O-N 2.83Å |
| 107 | E | 54.2 | Low | 49.8 | Very low | 109 Ų | 109 | 71.7 Ų | 71.7 | 51% | 0.509 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.2 | -40.7 | -180 | -176.4 | -179.7 | -135.7 | 0 | 0 | 113.1 | R87 D103 S109 | R87-E107 IonicContact CZ-OE1 3.04Å; R87-E107 IonicContact CZ-OE2 2.65Å; R87-E107 VanDerWaalsContact CZ-OE2 3.3Å; R87-E107 IonicContact NE-OE2 3.59Å; R87-E107 PolarHBondContact NE-OE2 2.87Å; R87-E107 IonicContact NH2-OE1 3.7Å; R87-E107 PolarHBondContact NH2-OE1 3.42Å; R87-E107 IonicContact NH2-OE2 2.84Å; R87-E107 PolarHBondContact NH2-OE2 3.29Å; D103-E107 WeakPolarHBondContact O-CB 3.24Å; D103-E107 PolarHBondContact O-N 3.08Å; E107-S109 PolarHBondContact O-N 2.97Å |
| 108 | L | 54.5 | Low | 50.3 | Low | 26 Ų | 26 | 68.8 Ų | 68.8 | 14% | 0.136 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -4.5 | -178.8 | -68.4 | 177.6 | 0 | 0 | 0 | 114.1 | K83 F84 V104 T106 T110 | K83-L108 HydrophobicContact CB-CD2 3.8Å; K83-L108 HydrophobicContact CD-CD2 4.05Å; F84-L108 HydrophobicContact CB-CD1 4.3Å; V104-L108 HydrophobicContact CG1-CD1 3.72Å; V104-L108 HydrophobicContact CG1-CG 4.22Å; V104-L108 VanDerWaalsContact O-CB 3.3Å; V104-L108 WeakPolarHBondContact O-CB 3.45Å; V104-L108 VanDerWaalsContact O-CG 3.25Å; V104-L108 WeakPolarHBondContact O-CG 3.36Å; V104-L108 PolarHBondContact O-N 2.95Å; T106-L108 PolarHBondContact O-N 3.41Å; L108-T110 HydrophobicContact CB-CG2 4.1Å; L108-T110 WeakPolarHBondContact O-CG2 3.19Å; L108-T110 PolarHBondContact O-N 3.04Å; L108-T110 VanDerWaalsContact O-N 3.13Å |
| 109 | S | 42.2 | Very low | 50.8 | Low | 114 Ų | 114 | 67.7 Ų | 67.7 | 80% | 0.797 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 25.5 | 177.7 | 71.6 | 0 | 0 | 0 | 0 | 115.3 | A105 T106 E107 | A105-S109 PolarHBondContact O-N 2.63Å; T106-S109 PolarHBondContact O-N 2.83Å; E107-S109 PolarHBondContact O-N 2.97Å |
| 110 | T | 45.5 | Very low | 50.6 | Low | 28 Ų | 28 | 65.8 Ų | 65.8 | 17% | 0.172 | 37% | 0.374 | C | S | . | . | trans | -90.2 | 136 | -173.6 | 63.8 | 0 | 0 | 0 | 0 | 113.1 | L80 L108 L114 Q115 | L80-T110 HydrophobicContact CD1-CG2 3.73Å; L80-T110 HydrophobicContact CD2-CG2 3.69Å; L80-T110 HydrophobicContact CG-CG2 4.27Å; L108-T110 HydrophobicContact CB-CG2 4.1Å; L108-T110 WeakPolarHBondContact O-CG2 3.19Å; L108-T110 PolarHBondContact O-N 3.04Å; L108-T110 VanDerWaalsContact O-N 3.13Å; T110-L114 HydrophobicContact CG2-CD1 4.18Å; T110-Q115 PolarHBondContact O-NE2 3.46Å | ||
| 111 | S | 49.9 | Very low | 50.5 | Low | 84 Ų | 84 | 64 Ų | 64 | 59% | 0.587 | 36% | 0.363 | S | S | * | . | trans | -64.6 | 146.9 | 172.2 | 61.8 | 0 | 0 | 0 | 0 | 111.5 | F113 L114 | S111-F113 PolarHBondContact O-N 3.29Å; S111-L114 PolarHBondContact O-N 2.83Å | ||
| 112 | A | 47.1 | Very low | 50.4 | Low | 66 Ų | 66 | 62.3 Ų | 62.3 | 55% | 0.545 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -54.5 | -17 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | L116 | A112-L116 WeakPolarHBondContact O-CB 3.38Å; A112-L116 PolarHBondContact O-N 2.9Å |
| 113 | F | 42.5 | Very low | 50 | Low | 87 Ų | 87 | 61.6 Ų | 61.6 | 38% | 0.382 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.1 | -40.1 | 170.8 | -173.6 | -94.2 | 0 | 0 | 0 | 112.9 | S111 L116 V117 R267 | S111-F113 PolarHBondContact O-N 3.29Å; F113-L116 PolarHBondContact O-N 3.1Å; F113-V117 HydrophobicContact CD1-CG2 4.1Å; F113-V117 HydrophobicContact CE1-CG2 3.47Å; F113-V117 VanDerWaalsContact CE1-CG2 3.47Å; F113-V117 HydrophobicContact CZ-CG2 3.77Å; F113-V117 WeakPolarHBondContact O-CG2 3.48Å; F113-V117 PolarHBondContact O-N 3.33Å; F113-R267 VanDerWaalsContact CE1-NH1 3.32Å; F113-R267 VanDerWaalsContact CZ-NH1 3.31Å |
| 114 | L | 49.9 | Very low | 49.6 | Very low | 44 Ų | 44 | 56.9 Ų | 56.9 | 23% | 0.23 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -75.7 | -38.4 | -178.8 | -62.1 | -174.8 | 0 | 0 | 0 | 112 | L77 L80 T110 S111 L116 V117 L118 | L77-L114 HydrophobicContact CD1-CD2 4.29Å; L80-L114 HydrophobicContact CD1-CD1 3.74Å; T110-L114 HydrophobicContact CG2-CD1 4.18Å; S111-L114 PolarHBondContact O-N 2.83Å; L114-L116 VanDerWaalsContact C-N 3.28Å; L114-L116 PolarHBondContact O-N 3.1Å; L114-V117 PolarHBondContact O-N 2.79Å; L114-V117 VanDerWaalsContact O-N 3.14Å; L114-L118 PolarHBondContact O-N 3.48Å |
| 115 | Q | 48.9 | Very low | 49.4 | Very low | 76 Ų | 76 | 58 Ų | 58 | 36% | 0.355 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -53.4 | -47.9 | 168.4 | -60.5 | 164.8 | 2.5 | 0 | 0 | 110.3 | A105 T110 V117 L118 H119 | A105-Q115 HydrophobicContact CB-CG 4.24Å; T110-Q115 PolarHBondContact O-NE2 3.46Å; Q115-V117 PolarHBondContact O-N 2.79Å; Q115-L118 PolarHBondContact O-N 2.68Å; Q115-H119 WeakPolarHBondContact O-CB 3.24Å; Q115-H119 PolarHBondContact O-N 3.31Å |
| 116 | L | 49.4 | Very low | 48.9 | Very low | 95 Ų | 95 | 62 Ų | 62 | 50% | 0.497 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.8 | -39.2 | 177.2 | -176.7 | 65 | 0 | 0 | 0 | 112.5 | A112 F113 L114 I120 | A112-L116 WeakPolarHBondContact O-CB 3.38Å; A112-L116 PolarHBondContact O-N 2.9Å; F113-L116 PolarHBondContact O-N 3.1Å; L114-L116 VanDerWaalsContact C-N 3.28Å; L114-L116 PolarHBondContact O-N 3.1Å; L116-I120 HydrophobicContact CD1-CD1 3.88Å; L116-I120 HydrophobicContact CD1-CG1 4.22Å; L116-I120 HydrophobicContact CG-CD1 3.9Å; L116-I120 WeakPolarHBondContact O-CB 3.18Å; L116-I120 WeakPolarHBondContact O-CG1 3.15Å; L116-I120 PolarHBondContact O-N 3.04Å |
| 117 | V | 49 | Very low | 48.3 | Very low | 4 Ų | 4 | 62.2 Ų | 62.2 | 2% | 0.024 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.2 | -49.2 | 175.1 | 170.1 | 0 | 0 | 0 | 0 | 111.1 | F113 L114 Q115 I120 A121 L219 | F113-V117 HydrophobicContact CD1-CG2 4.1Å; F113-V117 HydrophobicContact CE1-CG2 3.47Å; F113-V117 VanDerWaalsContact CE1-CG2 3.47Å; F113-V117 HydrophobicContact CZ-CG2 3.77Å; F113-V117 WeakPolarHBondContact O-CG2 3.48Å; F113-V117 PolarHBondContact O-N 3.33Å; L114-V117 PolarHBondContact O-N 2.79Å; L114-V117 VanDerWaalsContact O-N 3.14Å; Q115-V117 PolarHBondContact O-N 2.79Å; V117-I120 PolarHBondContact O-N 2.92Å; V117-A121 PolarHBondContact O-N 3.31Å; V117-L219 HydrophobicContact CB-CD2 4.18Å; V117-L219 HydrophobicContact CG1-CD2 4.24Å; V117-L219 HydrophobicContact CG2-CD2 3.74Å |
| 118 | L | 50.3 | Low | 47.5 | Very low | 39 Ų | 39 | 59.3 Ų | 59.3 | 20% | 0.204 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.6 | -49.2 | -178.1 | -175.3 | 63.1 | 0 | 0 | 0 | 111.4 | F84 L114 Q115 I120 A121 V122 | F84-L118 HydrophobicContact CB-CD2 4.47Å; F84-L118 HydrophobicContact CD1-CD2 3.88Å; F84-L118 HydrophobicContact CD2-CD2 3.69Å; F84-L118 HydrophobicContact CE1-CD2 3.98Å; F84-L118 HydrophobicContact CE2-CD2 3.8Å; F84-L118 HydrophobicContact CG-CD2 3.74Å; F84-L118 HydrophobicContact CZ-CD2 3.94Å; L114-L118 PolarHBondContact O-N 3.48Å; Q115-L118 PolarHBondContact O-N 2.68Å; L118-I120 PolarHBondContact O-N 3.48Å; L118-A121 PolarHBondContact O-N 3.02Å; L118-A121 VanDerWaalsContact O-N 3.1Å; L118-V122 HydrophobicContact CD1-CG2 4.06Å; L118-V122 HydrophobicContact CG-CG2 4.33Å; L118-V122 WeakPolarHBondContact O-CB 3.43Å; L118-V122 WeakPolarHBondContact O-CG2 3.1Å; L118-V122 PolarHBondContact O-N 3.47Å |
| 119 | H | 51.5 | Low | 46.9 | Very low | 94 Ų | 94 | 59 Ų | 59 | 44% | 0.435 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.5 | -30.4 | 173.9 | -170.9 | 107.9 | 0 | 0 | 0 | 112.3 | Q115 K123 | Q115-H119 WeakPolarHBondContact O-CB 3.24Å; Q115-H119 PolarHBondContact O-N 3.31Å; H119-K123 PolarHBondContact NE2-NZ 2.83Å; H119-K123 VanDerWaalsContact O-CB 3.28Å; H119-K123 WeakPolarHBondContact O-CB 3.43Å; H119-K123 PolarHBondContact O-N 3.31Å |
| 120 | I | 47.4 | Very low | 46.6 | Very low | 15 Ų | 15 | 56.9 Ų | 56.9 | 8% | 0.077 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -70 | -55.6 | 169.6 | -78.1 | 174.2 | 0 | 0 | 0 | 110.8 | L116 V117 L118 V122 K123 T124 L219 R220 | L116-I120 HydrophobicContact CD1-CD1 3.88Å; L116-I120 HydrophobicContact CD1-CG1 4.22Å; L116-I120 HydrophobicContact CG-CD1 3.9Å; L116-I120 WeakPolarHBondContact O-CB 3.18Å; L116-I120 WeakPolarHBondContact O-CG1 3.15Å; L116-I120 PolarHBondContact O-N 3.04Å; V117-I120 PolarHBondContact O-N 2.92Å; L118-I120 PolarHBondContact O-N 3.48Å; I120-V122 PolarHBondContact O-N 2.84Å; I120-K123 PolarHBondContact O-N 3.41Å; I120-T124 WeakPolarHBondContact O-CB 3.5Å; I120-T124 PolarHBondContact O-N 3.06Å; I120-T124 PolarHBondContact O-OG1 2.89Å; I120-T124 VanDerWaalsContact O-OG1 3.05Å; I120-L219 HydrophobicContact CB-CD2 4.48Å; I120-L219 HydrophobicContact CD1-CB 4.13Å; I120-L219 HydrophobicContact CD1-CD2 4.37Å; I120-L219 HydrophobicContact CG2-CB 4.22Å; I120-L219 HydrophobicContact CG2-CD2 4.22Å; I120-L219 HydrophobicContact CG2-CG 4.17Å; I120-R220 VanDerWaalsContact CG2-CA 3.45Å; I120-R220 HydrophobicContact CG2-CB 3.84Å; I120-R220 PolarHBondContact O-NH1 2.89Å |
| 121 | A | 49.5 | Very low | 46.3 | Very low | 20 Ų | 20 | 60.3 Ų | 60.3 | 17% | 0.165 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -55.7 | -54 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V117 L118 K123 T124 V125 | V117-A121 PolarHBondContact O-N 3.31Å; L118-A121 PolarHBondContact O-N 3.02Å; L118-A121 VanDerWaalsContact O-N 3.1Å; A121-K123 PolarHBondContact O-N 2.83Å; A121-T124 WeakPolarHBondContact O-CB 3.39Å; A121-T124 PolarHBondContact O-N 3.29Å; A121-V125 WeakPolarHBondContact O-CG2 3.19Å; A121-V125 PolarHBondContact O-N 2.91Å |
| 122 | V | 49.9 | Very low | 45.8 | Very low | 43 Ų | 43 | 61.5 Ų | 61.5 | 26% | 0.261 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -57.8 | -52.1 | 179 | 174.9 | 0 | 0 | 0 | 0 | 111 | L118 I120 T124 V125 F126 F142 | L118-V122 HydrophobicContact CD1-CG2 4.06Å; L118-V122 HydrophobicContact CG-CG2 4.33Å; L118-V122 WeakPolarHBondContact O-CB 3.43Å; L118-V122 WeakPolarHBondContact O-CG2 3.1Å; L118-V122 PolarHBondContact O-N 3.47Å; I120-V122 PolarHBondContact O-N 2.84Å; V122-T124 PolarHBondContact O-N 3.42Å; V122-V125 PolarHBondContact O-N 3.3Å; V122-F126 WeakPolarHBondContact O-CB 3.37Å; V122-F126 PolarHBondContact O-N 3.42Å; V122-F142 HydrophobicContact CG1-CE2 4.08Å; V122-F142 HydrophobicContact CG2-CE2 4.37Å |
| 123 | K | 47.9 | Very low | 45.1 | Very low | 100 Ų | 100 | 60.4 Ų | 60.4 | 44% | 0.435 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -70.7 | -10 | 177.1 | -68 | -169.8 | 178.3 | 174.8 | 0 | 114.6 | H119 I120 A121 K127 R220 | H119-K123 PolarHBondContact NE2-NZ 2.83Å; H119-K123 VanDerWaalsContact O-CB 3.28Å; H119-K123 WeakPolarHBondContact O-CB 3.43Å; H119-K123 PolarHBondContact O-N 3.31Å; I120-K123 PolarHBondContact O-N 3.41Å; A121-K123 PolarHBondContact O-N 2.83Å; K123-K127 WeakPolarHBondContact O-CB 3.44Å; K123-K127 PolarHBondContact O-N 3.15Å; K123-R220 VanDerWaalsContact C-NH1 3.26Å |
| 124 | T | 46.8 | Very low | 45.1 | Very low | 8 Ų | 8 | 64.4 Ų | 64.4 | 5% | 0.049 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -79.6 | -52.8 | 168.5 | -66.9 | 0 | 0 | 0 | 0 | 109.1 | I120 A121 V122 K127 M128 R220 S223 Q224 | I120-T124 WeakPolarHBondContact O-CB 3.5Å; I120-T124 PolarHBondContact O-N 3.06Å; I120-T124 PolarHBondContact O-OG1 2.89Å; I120-T124 VanDerWaalsContact O-OG1 3.05Å; A121-T124 WeakPolarHBondContact O-CB 3.39Å; A121-T124 PolarHBondContact O-N 3.29Å; V122-T124 PolarHBondContact O-N 3.42Å; T124-K127 PolarHBondContact O-N 2.74Å; T124-M128 WeakPolarHBondContact O-CG 3.11Å; T124-M128 PolarHBondContact O-N 3.21Å; T124-R220 WeakPolarHBondContact OG1-CG 3.2Å; T124-R220 PolarHBondContact OG1-NH1 3.34Å; T124-R220 PolarHBondContact OG1-O 2.81Å; T124-S223 PolarHBondContact OG1-OG 3.45Å; T124-Q224 HydrophobicContact CG2-CB 3.71Å; T124-Q224 HydrophobicContact CG2-CG 4.33Å |
| 125 | V | 50.6 | Low | 44.5 | Very low | 33 Ų | 33 | 69.5 Ų | 69.5 | 20% | 0.2 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -57.1 | -51.5 | 177.9 | 173.4 | 0 | 0 | 0 | 0 | 110.2 | A121 V122 K127 M128 A129 M145 F149 | A121-V125 WeakPolarHBondContact O-CG2 3.19Å; A121-V125 PolarHBondContact O-N 2.91Å; V122-V125 PolarHBondContact O-N 3.3Å; V125-K127 PolarHBondContact O-N 3.33Å; V125-M128 PolarHBondContact O-N 3.14Å; V125-M128 VanDerWaalsContact O-N 3.12Å; V125-A129 PolarHBondContact O-N 3.17Å; V125-M145 HydrophobicContact CG1-SD 3.91Å; V125-F149 HydrophobicContact CG1-CD2 4.24Å; V125-F149 HydrophobicContact CG1-CE2 3.39Å; V125-F149 HydrophobicContact CG1-CZ 3.64Å |
| 126 | F | 44.9 | Very low | 43.8 | Very low | 102 Ų | 102 | 71.4 Ų | 71.4 | 45% | 0.447 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -57.9 | -42.9 | 174.9 | -173.4 | -93.8 | 0 | 0 | 0 | 112.8 | V122 M128 A129 V130 | V122-F126 WeakPolarHBondContact O-CB 3.37Å; V122-F126 PolarHBondContact O-N 3.42Å; F126-M128 VanDerWaalsContact C-N 3.34Å; F126-M128 PolarHBondContact O-N 3.05Å; F126-A129 PolarHBondContact O-N 3.18Å; F126-V130 HydrophobicContact CD1-CG2 4.02Å; F126-V130 HydrophobicContact CE1-CG2 3.77Å; F126-V130 HydrophobicContact CZ-CG2 4.09Å; F126-V130 WeakPolarHBondContact O-CB 3.37Å; F126-V130 VanDerWaalsContact O-CG2 3.31Å; F126-V130 WeakPolarHBondContact O-CG2 3.2Å; F126-V130 PolarHBondContact O-N 2.82Å |
| 127 | K | 41.5 | Very low | 43.5 | Very low | 119 Ų | 119 | 72.4 Ų | 72.4 | 52% | 0.517 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -74.5 | -21.5 | 177.9 | -167.6 | 168.8 | 178.8 | 72.7 | 0 | 113.3 | K123 T124 V125 I131 | K123-K127 WeakPolarHBondContact O-CB 3.44Å; K123-K127 PolarHBondContact O-N 3.15Å; T124-K127 PolarHBondContact O-N 2.74Å; V125-K127 PolarHBondContact O-N 3.33Å; K127-I131 HydrophobicContact CG-CD1 4.01Å; K127-I131 HydrophobicContact CG-CG1 4.4Å; K127-I131 WeakPolarHBondContact O-CB 3.37Å; K127-I131 WeakPolarHBondContact O-CD1 3.3Å; K127-I131 WeakPolarHBondContact O-CG1 3.43Å; K127-I131 PolarHBondContact O-N 3.11Å |
| 128 | M | 39.1 | Very low | 43 | Very low | 48 Ų | 48 | 79 Ų | 79 | 24% | 0.236 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -71.9 | -44 | 168.2 | -66.8 | -60.2 | 93.9 | 0 | 0 | 110.6 | T124 V125 F126 I131 L132 Q224 | T124-M128 WeakPolarHBondContact O-CG 3.11Å; T124-M128 PolarHBondContact O-N 3.21Å; V125-M128 PolarHBondContact O-N 3.14Å; V125-M128 VanDerWaalsContact O-N 3.12Å; F126-M128 VanDerWaalsContact C-N 3.34Å; F126-M128 PolarHBondContact O-N 3.05Å; M128-I131 HydrophobicContact CE-CD1 4.05Å; M128-I131 PolarHBondContact O-N 3.02Å; M128-L132 WeakPolarHBondContact O-CG 3.46Å; M128-L132 PolarHBondContact O-N 3.43Å; M128-Q224 HydrophobicContact CE-CG 4.18Å; M128-Q224 HydrophobicContact SD-CG 3.8Å; M128-Q224 PolarHBondContact SD-NE2 3.02Å |
| 129 | A | 40 | Very low | 42.3 | Very low | 19 Ų | 19 | 82.9 Ų | 82.9 | 16% | 0.157 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -58 | -51.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | V125 F126 I131 L132 T133 F149 | V125-A129 PolarHBondContact O-N 3.17Å; F126-A129 PolarHBondContact O-N 3.18Å; A129-I131 PolarHBondContact O-N 3.08Å; A129-L132 WeakPolarHBondContact O-CA 3.48Å; A129-L132 WeakPolarHBondContact O-CB 3.32Å; A129-L132 PolarHBondContact O-N 3.33Å; A129-T133 PolarHBondContact O-N 2.85Å; A129-T133 PolarHBondContact O-OG1 3.12Å; A129-F149 HydrophobicContact CB-CE2 3.97Å |
| 130 | V | 36.9 | Very low | 41.8 | Very low | 70 Ų | 70 | 85.7 Ų | 85.7 | 42% | 0.424 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.7 | -21 | -179.2 | 171.8 | 0 | 0 | 0 | 0 | 113.7 | F126 T133 | F126-V130 HydrophobicContact CD1-CG2 4.02Å; F126-V130 HydrophobicContact CE1-CG2 3.77Å; F126-V130 HydrophobicContact CZ-CG2 4.09Å; F126-V130 WeakPolarHBondContact O-CB 3.37Å; F126-V130 VanDerWaalsContact O-CG2 3.31Å; F126-V130 WeakPolarHBondContact O-CG2 3.2Å; F126-V130 PolarHBondContact O-N 2.82Å; V130-T133 WeakPolarHBondContact CA-OG1 3.27Å |
| 131 | I | 39.4 | Very low | 41.4 | Very low | 101 Ų | 101 | 88.3 Ų | 88.3 | 52% | 0.518 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -80.8 | -22.5 | 172.9 | -75.6 | 171.3 | 0 | 0 | 0 | 111.9 | K127 M128 A129 | K127-I131 HydrophobicContact CG-CD1 4.01Å; K127-I131 HydrophobicContact CG-CG1 4.4Å; K127-I131 WeakPolarHBondContact O-CB 3.37Å; K127-I131 WeakPolarHBondContact O-CD1 3.3Å; K127-I131 WeakPolarHBondContact O-CG1 3.43Å; K127-I131 PolarHBondContact O-N 3.11Å; M128-I131 HydrophobicContact CE-CD1 4.05Å; M128-I131 PolarHBondContact O-N 3.02Å; A129-I131 PolarHBondContact O-N 3.08Å |
| 132 | L | 38.3 | Very low | 41.1 | Very low | 108 Ų | 108 | 89.3 Ų | 89.3 | 57% | 0.565 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -86.4 | -30 | 174.5 | -63.7 | 169.8 | 0 | 0 | 0 | 112 | M128 A129 Q134 | M128-L132 WeakPolarHBondContact O-CG 3.46Å; M128-L132 PolarHBondContact O-N 3.43Å; A129-L132 WeakPolarHBondContact O-CA 3.48Å; A129-L132 WeakPolarHBondContact O-CB 3.32Å; A129-L132 PolarHBondContact O-N 3.33Å; L132-Q134 PolarHBondContact O-N 2.78Å |
| 133 | T | 33.9 | Very low | 40.5 | Very low | 43 Ų | 43 | 88.6 Ų | 88.6 | 26% | 0.264 | 45% | 0.454 | S | S | . | . | trans | -91.9 | 78.7 | 175 | 61.1 | 0 | 0 | 0 | 0 | 111.7 | A129 V130 M148 Y152 | A129-T133 PolarHBondContact O-N 2.85Å; A129-T133 PolarHBondContact O-OG1 3.12Å; V130-T133 WeakPolarHBondContact CA-OG1 3.27Å; T133-M148 HydrophobicContact CG2-CE 4.26Å; T133-Y152 HydrophobicContact CG2-CE2 4.08Å | ||
| 134 | Q | 41.3 | Very low | 40.1 | Very low | 171 Ų | 171 | 88.3 Ų | 88.3 | 80% | 0.799 | 45% | 0.453 | S | S | * | . | trans | -63.7 | 134.3 | 155.3 | -82.2 | -169.3 | -19.5 | 0 | 0 | 108.6 | L132 | L132-Q134 PolarHBondContact O-N 2.78Š| ||
| 135 | N | 36.9 | Very low | 39.8 | Very low | 152 Ų | 152 | 88.9 Ų | 88.9 | 81% | 0.813 | 46% | 0.455 | S | S | * | . | S | Bend | trans | 67.7 | 88.2 | -173 | -44.7 | -39.9 | 0 | 0 | 0 | 114.2 | ||
| 136 | V | 34.4 | Very low | 39.4 | Very low | 116 Ų | 116 | 90.9 Ų | 90.9 | 70% | 0.703 | 47% | 0.465 | S | S | * | . | -175.6 | 132.9 | 113.5 | 150 | 0 | 0 | 0 | 0 | 106.8 | |||||
| 137 | T | 44.1 | Very low | 39.1 | Very low | 115 Ų | 115 | 91.5 Ų | 91.5 | 71% | 0.706 | 47% | 0.472 | S | S | * | . | trans | -81.2 | 155.8 | 166.6 | 49.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 138 | D | 37.4 | Very low | 38.7 | Very low | 143 Ų | 143 | 88.6 Ų | 88.6 | 77% | 0.765 | 46% | 0.461 | S | S | * | . | trans | 71.5 | 96.3 | 169.6 | -40.4 | -51.7 | 0 | 0 | 0 | 114.9 | ||||
| 139 | F | 35.6 | Very low | 38.7 | Very low | 120 Ų | 120 | 89.4 Ų | 89.4 | 53% | 0.526 | 46% | 0.463 | S | S | . | . | trans | -152.7 | 141 | 158.7 | -112.8 | -74 | 0 | 0 | 0 | 110.5 | F144 | F139-F144 HydrophobicContact CD1-CD1 4.47Å; F139-F144 HydrophobicContact CE1-CG 4.41Å | ||
| 140 | H | 41.5 | Very low | 38.6 | Very low | 154 Ų | 154 | 90.6 Ų | 90.6 | 71% | 0.713 | 47% | 0.47 | S | S | * | . | trans | -112.4 | -3.5 | -173.8 | -108.3 | -131.4 | 0 | 0 | 0 | 114.1 | D98 | D98-H140 IonicContact OD1-CE1 3.06Å; D98-H140 IonicContact OD1-ND1 3.25Å | ||
| 141 | D | 39.5 | Very low | 38.5 | Very low | 70 Ų | 70 | 90 Ų | 90 | 37% | 0.374 | 47% | 0.469 | S | S | . | . | trans | -98.2 | 123.9 | -163 | -63.1 | -76.3 | 0 | 0 | 0 | 115.8 | N143 F144 M145 | D141-N143 VanDerWaalsContact C-N 3.34Å; D141-N143 PolarHBondContact O-N 3.02Å; D141-F144 HydrophobicContact CB-CB 3.86Å; D141-M145 PolarHBondContact O-N 3.12Å; D141-M145 VanDerWaalsContact O-N 3.17Å | ||
| 142 | F | 42.7 | Very low | 38.5 | Very low | 40 Ų | 40 | 89.1 Ų | 89.1 | 18% | 0.175 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -68.6 | -32.4 | 175.6 | -153.6 | -84.4 | 0 | 0 | 0 | 112.2 | L85 V122 M145 L146 | L85-F142 HydrophobicContact CD2-CE1 4.41Å; V122-F142 HydrophobicContact CG1-CE2 4.08Å; V122-F142 HydrophobicContact CG2-CE2 4.37Å; F142-M145 HydrophobicContact CD1-CE 3.96Å; F142-M145 HydrophobicContact CD2-CE 3.64Å; F142-M145 HydrophobicContact CE1-CE 3.85Å; F142-M145 HydrophobicContact CE2-CE 3.53Å; F142-M145 HydrophobicContact CG-CE 3.86Å; F142-M145 HydrophobicContact CZ-CE 3.64Å; F142-M145 WeakPolarHBondContact O-CB 3.42Å; F142-M145 PolarHBondContact O-N 3.07Å; F142-L146 HydrophobicContact CD1-CD1 3.99Å; F142-L146 HydrophobicContact CD1-CG 4.15Å; F142-L146 HydrophobicContact CE1-CD1 4.16Å; F142-L146 HydrophobicContact CE1-CD2 4.49Å; F142-L146 HydrophobicContact CE1-CG 4.26Å; F142-L146 WeakPolarHBondContact O-CG 3.4Å; F142-L146 PolarHBondContact O-N 2.8Å |
| 143 | N | 37.8 | Very low | 38.6 | Very low | 28 Ų | 28 | 86.7 Ų | 86.7 | 15% | 0.15 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -78.2 | -33.7 | 178.6 | -68 | -38.5 | 0 | 0 | 0 | 112.6 | P89 D90 D141 M145 L146 I147 | P89-N143 PolarHBondContact O-ND2 2.91Å; D90-N143 PolarHBondContact O-ND2 3.19Å; D141-N143 VanDerWaalsContact C-N 3.34Å; D141-N143 PolarHBondContact O-N 3.02Å; N143-M145 VanDerWaalsContact C-N 3.25Å; N143-M145 PolarHBondContact O-N 2.96Å; N143-L146 PolarHBondContact O-N 2.81Å; N143-I147 WeakPolarHBondContact O-CB 3.37Å; N143-I147 VanDerWaalsContact O-CG1 3.26Å; N143-I147 WeakPolarHBondContact O-CG1 3.48Å; N143-I147 PolarHBondContact O-N 3.41Å |
| 144 | F | 40.3 | Very low | 38.7 | Very low | 95 Ų | 95 | 88.9 Ų | 88.9 | 42% | 0.417 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.8 | -38.3 | 167.6 | -163.3 | -97 | 0 | 0 | 0 | 110.7 | F139 D141 M148 | F139-F144 HydrophobicContact CD1-CD1 4.47Å; F139-F144 HydrophobicContact CE1-CG 4.41Å; D141-F144 HydrophobicContact CB-CB 3.86Å; F144-M148 HydrophobicContact CD1-CG 3.82Å; F144-M148 HydrophobicContact CE1-CE 4.13Å; F144-M148 HydrophobicContact CE1-CG 3.61Å; F144-M148 HydrophobicContact CE1-SD 4.16Å; F144-M148 HydrophobicContact CZ-CG 4.15Å; F144-M148 HydrophobicContact CZ-SD 4.29Å; F144-M148 WeakPolarHBondContact O-CB 3.4Å; F144-M148 WeakPolarHBondContact O-CG 3.36Å; F144-M148 PolarHBondContact O-N 3.15Å |
| 145 | M | 40 | Very low | 38.4 | Very low | 19 Ų | 19 | 84.3 Ų | 84.3 | 9% | 0.094 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -63.7 | -40 | 172.9 | -172.5 | -104 | -58.2 | 0 | 0 | 112.9 | V125 D141 F142 N143 F149 | V125-M145 HydrophobicContact CG1-SD 3.91Å; D141-M145 PolarHBondContact O-N 3.12Å; D141-M145 VanDerWaalsContact O-N 3.17Å; F142-M145 HydrophobicContact CD1-CE 3.96Å; F142-M145 HydrophobicContact CD2-CE 3.64Å; F142-M145 HydrophobicContact CE1-CE 3.85Å; F142-M145 HydrophobicContact CE2-CE 3.53Å; F142-M145 HydrophobicContact CG-CE 3.86Å; F142-M145 HydrophobicContact CZ-CE 3.64Å; F142-M145 WeakPolarHBondContact O-CB 3.42Å; F142-M145 PolarHBondContact O-N 3.07Å; N143-M145 VanDerWaalsContact C-N 3.25Å; N143-M145 PolarHBondContact O-N 2.96Å; M145-F149 HydrophobicContact CG-CD2 4.23Å; M145-F149 HydrophobicContact CG-CE2 4.5Å; M145-F149 WeakPolarHBondContact O-CB 3.5Å; M145-F149 WeakPolarHBondContact O-CD2 3.43Å; M145-F149 PolarHBondContact O-N 3.05Å; M145-F149 HydrophobicContact SD-CD2 3.82Å; M145-F149 HydrophobicContact SD-CE2 4.01Å |
| 146 | L | 41.3 | Very low | 38.7 | Very low | 76 Ų | 76 | 81 Ų | 81 | 40% | 0.398 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -69.9 | -42.8 | 175.4 | -72.5 | 175.4 | 0 | 0 | 0 | 113.2 | F142 N143 F149 S150 | F142-L146 HydrophobicContact CD1-CD1 3.99Å; F142-L146 HydrophobicContact CD1-CG 4.15Å; F142-L146 HydrophobicContact CE1-CD1 4.16Å; F142-L146 HydrophobicContact CE1-CD2 4.49Å; F142-L146 HydrophobicContact CE1-CG 4.26Å; F142-L146 WeakPolarHBondContact O-CG 3.4Å; F142-L146 PolarHBondContact O-N 2.8Å; N143-L146 PolarHBondContact O-N 2.81Å; L146-F149 CarbonylContact O-C 3.6Å; L146-F149 WeakPolarHBondContact O-CB 3.33Å; L146-F149 PolarHBondContact O-N 3.28Å; L146-S150 PolarHBondContact O-N 3.12Å |
| 147 | I | 39.3 | Very low | 39 | Very low | 115 Ų | 115 | 81.9 Ų | 81.9 | 59% | 0.59 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -63.8 | -43.4 | 176.5 | -68 | 165 | 0 | 0 | 0 | 110.2 | N143 S150 S151 | N143-I147 WeakPolarHBondContact O-CB 3.37Å; N143-I147 VanDerWaalsContact O-CG1 3.26Å; N143-I147 WeakPolarHBondContact O-CG1 3.48Å; N143-I147 PolarHBondContact O-N 3.41Å; I147-S150 WeakPolarHBondContact O-CB 3.49Å; I147-S150 PolarHBondContact O-N 3.06Å; I147-S151 PolarHBondContact O-N 3.32Å |
| 148 | M | 33.2 | Very low | 38.8 | Very low | 58 Ų | 58 | 83.4 Ų | 83.4 | 29% | 0.286 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 171.7 | -72.2 | -71.7 | -97.3 | 0 | 0 | 111.5 | T133 F144 S150 S151 Y152 | T133-M148 HydrophobicContact CG2-CE 4.26Å; F144-M148 HydrophobicContact CD1-CG 3.82Å; F144-M148 HydrophobicContact CE1-CE 4.13Å; F144-M148 HydrophobicContact CE1-CG 3.61Å; F144-M148 HydrophobicContact CE1-SD 4.16Å; F144-M148 HydrophobicContact CZ-CG 4.15Å; F144-M148 HydrophobicContact CZ-SD 4.29Å; F144-M148 WeakPolarHBondContact O-CB 3.4Å; F144-M148 WeakPolarHBondContact O-CG 3.36Å; F144-M148 PolarHBondContact O-N 3.15Å; M148-S150 VanDerWaalsContact C-N 3.27Å; M148-S150 PolarHBondContact O-N 2.99Å; M148-S151 PolarHBondContact O-N 2.8Å; M148-Y152 HydrophobicContact CB-CD2 4.33Å; M148-Y152 HydrophobicContact CB-CE2 4.49Å; M148-Y152 HydrophobicContact CE-CE2 3.95Å; M148-Y152 WeakPolarHBondContact O-CB 3.23Å; M148-Y152 WeakPolarHBondContact O-CD2 3.24Å; M148-Y152 PolarHBondContact O-N 2.63Å; M148-Y152 HydrophobicContact SD-CE2 4.42Å |
| 149 | F | 38.4 | Very low | 39 | Very low | 64 Ų | 64 | 80.8 Ų | 80.8 | 28% | 0.281 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61 | -34.6 | 173.1 | -106.7 | -79.1 | 0 | 0 | 0 | 112.9 | V125 A129 M145 L146 S153 | V125-F149 HydrophobicContact CG1-CD2 4.24Å; V125-F149 HydrophobicContact CG1-CE2 3.39Å; V125-F149 HydrophobicContact CG1-CZ 3.64Å; A129-F149 HydrophobicContact CB-CE2 3.97Å; M145-F149 HydrophobicContact CG-CD2 4.23Å; M145-F149 HydrophobicContact CG-CE2 4.5Å; M145-F149 WeakPolarHBondContact O-CB 3.5Å; M145-F149 WeakPolarHBondContact O-CD2 3.43Å; M145-F149 PolarHBondContact O-N 3.05Å; M145-F149 HydrophobicContact SD-CD2 3.82Å; M145-F149 HydrophobicContact SD-CE2 4.01Å; L146-F149 CarbonylContact O-C 3.6Å; L146-F149 WeakPolarHBondContact O-CB 3.33Å; L146-F149 PolarHBondContact O-N 3.28Å; F149-S153 PolarHBondContact O-N 2.95Å |
| 150 | S | 37.8 | Very low | 39.4 | Very low | 44 Ų | 44 | 79 Ų | 79 | 31% | 0.308 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.3 | -52.7 | 172.9 | -150.2 | 0 | 0 | 0 | 0 | 110.9 | L146 I147 M148 Y152 S153 D154 | L146-S150 PolarHBondContact O-N 3.12Å; I147-S150 WeakPolarHBondContact O-CB 3.49Å; I147-S150 PolarHBondContact O-N 3.06Å; M148-S150 VanDerWaalsContact C-N 3.27Å; M148-S150 PolarHBondContact O-N 2.99Å; S150-Y152 VanDerWaalsContact C-N 3.31Å; S150-Y152 PolarHBondContact O-N 3.25Å; S150-S153 WeakPolarHBondContact O-CA 3.42Å; S150-S153 WeakPolarHBondContact O-CB 3.48Å; S150-S153 PolarHBondContact O-N 3.19Å; S150-D154 PolarHBondContact O-N 3.3Å |
| 151 | S | 35.7 | Very low | 39.2 | Very low | 59 Ų | 59 | 80 Ų | 80 | 41% | 0.413 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.2 | -38.3 | 176.8 | -176.7 | 0 | 0 | 0 | 0 | 112.9 | I147 M148 S153 D154 N155 | I147-S151 PolarHBondContact O-N 3.32Å; M148-S151 PolarHBondContact O-N 2.8Å; S151-S153 VanDerWaalsContact C-N 3.32Å; S151-S153 PolarHBondContact O-N 3.03Å; S151-D154 PolarHBondContact O-N 3.2Å; S151-N155 PolarHBondContact O-N 3.31Å; S151-N155 PolarHBondContact O-ND2 3.33Å |
| 152 | Y | 40.2 | Very low | 39.1 | Very low | 82 Ų | 82 | 80.6 Ų | 80.6 | 32% | 0.322 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -74.7 | -17.8 | 175 | -79.6 | -63.5 | 0 | 0 | 0 | 114 | T133 M148 S150 N155 F156 | T133-Y152 HydrophobicContact CG2-CE2 4.08Å; M148-Y152 HydrophobicContact CB-CD2 4.33Å; M148-Y152 HydrophobicContact CB-CE2 4.49Å; M148-Y152 HydrophobicContact CE-CE2 3.95Å; M148-Y152 WeakPolarHBondContact O-CB 3.23Å; M148-Y152 WeakPolarHBondContact O-CD2 3.24Å; M148-Y152 PolarHBondContact O-N 2.63Å; M148-Y152 HydrophobicContact SD-CE2 4.42Å; S150-Y152 VanDerWaalsContact C-N 3.31Å; S150-Y152 PolarHBondContact O-N 3.25Å; Y152-N155 HydrophobicContact CD1-CB 4.39Å; Y152-F156 PolarHBondContact O-N 3.24Å; Y152-F156 VanDerWaalsContact O-N 3.16Å |
| 153 | S | 40.4 | Very low | 39 | Very low | 56 Ų | 56 | 80.9 Ų | 80.9 | 39% | 0.392 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -67.3 | -42.6 | 169.1 | -163.1 | 0 | 0 | 0 | 0 | 110.6 | F149 S150 S151 F156 | F149-S153 PolarHBondContact O-N 2.95Å; S150-S153 WeakPolarHBondContact O-CA 3.42Å; S150-S153 WeakPolarHBondContact O-CB 3.48Å; S150-S153 PolarHBondContact O-N 3.19Å; S151-S153 VanDerWaalsContact C-N 3.32Å; S151-S153 PolarHBondContact O-N 3.03Å; S153-F156 WeakPolarHBondContact O-CB 3.19Å |
| 154 | D | 35.7 | Very low | 39.1 | Very low | 89 Ų | 89 | 83.2 Ų | 83.2 | 48% | 0.476 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -73.5 | -42.9 | 175.3 | -79.3 | -55.2 | 0 | 0 | 0 | 113.2 | S150 S151 F156 K157 | S150-D154 PolarHBondContact O-N 3.3Å; S151-D154 PolarHBondContact O-N 3.2Å; D154-F156 PolarHBondContact O-N 2.79Å; D154-F156 VanDerWaalsContact O-N 3.1Å; D154-K157 WeakPolarHBondContact O-CB 3.46Å; D154-K157 PolarHBondContact O-N 2.92Å; D154-K157 VanDerWaalsContact O-N 3.09Å; D154-K157 IonicContact OD1-NZ 3.53Å; D154-K157 PolarHBondContact OD1-NZ 3Å |
| 155 | N | 34.5 | Very low | 39 | Very low | 76 Ų | 76 | 86.5 Ų | 86.5 | 41% | 0.406 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.5 | -13.8 | 176.2 | -78.8 | -84.8 | 0 | 0 | 0 | 113.2 | S151 Y152 K157 L158 | S151-N155 PolarHBondContact O-N 3.31Å; S151-N155 PolarHBondContact O-ND2 3.33Å; Y152-N155 HydrophobicContact CD1-CB 4.39Å; N155-K157 PolarHBondContact O-N 2.95Å; N155-L158 PolarHBondContact O-N 3.12Å |
| 156 | F | 42.2 | Very low | 38.9 | Very low | 82 Ų | 82 | 88 Ų | 88 | 36% | 0.36 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -23.3 | 171.7 | -136 | -89.3 | 0 | 0 | 0 | 112.8 | Y152 S153 D154 L158 L159 E160 L231 | Y152-F156 PolarHBondContact O-N 3.24Å; Y152-F156 VanDerWaalsContact O-N 3.16Å; S153-F156 WeakPolarHBondContact O-CB 3.19Å; D154-F156 PolarHBondContact O-N 2.79Å; D154-F156 VanDerWaalsContact O-N 3.1Å; F156-L158 VanDerWaalsContact C-N 3.31Å; F156-L158 PolarHBondContact O-N 2.9Å; F156-L159 HydrophobicContact CZ-CD2 4.5Å; F156-L159 PolarHBondContact O-N 3.17Å; F156-E160 PolarHBondContact O-N 3.39Å; F156-L231 HydrophobicContact CE2-CD1 4.47Å; F156-L231 HydrophobicContact CZ-CD1 4.37Å |
| 157 | K | 41.7 | Very low | 38.9 | Very low | 134 Ų | 134 | 87.3 Ų | 87.3 | 58% | 0.583 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -32.5 | 171.7 | -68.9 | 163.3 | -176.8 | 149.6 | 0 | 112.6 | D154 N155 E160 | D154-K157 WeakPolarHBondContact O-CB 3.46Å; D154-K157 PolarHBondContact O-N 2.92Å; D154-K157 VanDerWaalsContact O-N 3.09Å; D154-K157 IonicContact OD1-NZ 3.53Å; D154-K157 PolarHBondContact OD1-NZ 3Å; N155-K157 PolarHBondContact O-N 2.95Å; K157-E160 VanDerWaalsContact O-CB 3.23Å; K157-E160 WeakPolarHBondContact O-CB 3.47Å; K157-E160 PolarHBondContact O-N 3.44Å |
| 158 | L | 40.5 | Very low | 39 | Very low | 148 Ų | 148 | 87.1 Ų | 87.1 | 78% | 0.775 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -21.1 | 176.3 | -73.9 | 171.2 | 0 | 0 | 0 | 113 | N155 F156 E160 | N155-L158 PolarHBondContact O-N 3.12Å; F156-L158 VanDerWaalsContact C-N 3.31Å; F156-L158 PolarHBondContact O-N 2.9Å; L158-E160 VanDerWaalsContact C-N 3.27Å |
| 159 | L | 40.1 | Very low | 39.4 | Very low | 87 Ų | 87 | 88 Ų | 88 | 46% | 0.455 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -3.6 | 169.9 | -157.4 | 67.2 | 0 | 0 | 0 | 112.6 | F156 Q161 S162 F163 | F156-L159 HydrophobicContact CZ-CD2 4.5Å; F156-L159 PolarHBondContact O-N 3.17Å; L159-Q161 VanDerWaalsContact C-N 3.3Å; L159-Q161 PolarHBondContact O-N 3.24Å; L159-S162 PolarHBondContact O-N 3.12Å; L159-S162 PolarHBondContact O-OG 3.38Å; L159-F163 WeakPolarHBondContact O-CB 3.5Å; L159-F163 PolarHBondContact O-N 3.22Å; L159-F163 VanDerWaalsContact O-N 3.12Å |
| 160 | E | 43.9 | Very low | 39.5 | Very low | 84 Ų | 84 | 87.9 Ų | 87.9 | 39% | 0.393 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.6 | -34.3 | -177.3 | -175 | 160 | -151.9 | 0 | 0 | 112.6 | F156 K157 L158 F163 L164 K167 | F156-E160 PolarHBondContact O-N 3.39Å; K157-E160 VanDerWaalsContact O-CB 3.23Å; K157-E160 WeakPolarHBondContact O-CB 3.47Å; K157-E160 PolarHBondContact O-N 3.44Å; L158-E160 VanDerWaalsContact C-N 3.27Å; E160-F163 CarbonylContact O-C 3.2Å; E160-F163 PolarHBondContact O-N 3.06Å; E160-L164 WeakPolarHBondContact O-CB 3.42Å; E160-L164 PolarHBondContact O-N 3.32Å; E160-K167 IonicContact OE1-NZ 2.62Å; E160-K167 PolarHBondContact OE1-NZ 2.99Å |
| 161 | Q | 37.7 | Very low | 39.6 | Very low | 173 Ų | 173 | 89.3 Ų | 89.3 | 81% | 0.808 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -66.8 | -41.1 | -177.9 | -67.2 | -168 | 1.3 | 0 | 0 | 113.6 | L159 | L159-Q161 VanDerWaalsContact C-N 3.3Å; L159-Q161 PolarHBondContact O-N 3.24Å |
| 162 | S | 38.2 | Very low | 39.5 | Very low | 83 Ų | 83 | 89.7 Ų | 89.7 | 58% | 0.58 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -75.9 | -30.6 | 175.2 | 62.2 | 0 | 0 | 0 | 0 | 111.6 | L159 | L159-S162 PolarHBondContact O-N 3.12Å; L159-S162 PolarHBondContact O-OG 3.38Å |
| 163 | F | 40.7 | Very low | 39.4 | Very low | 47 Ų | 47 | 89.1 Ų | 89.1 | 21% | 0.206 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -74 | -27.2 | 175.8 | -171.3 | -111.4 | 0 | 0 | 0 | 113.4 | L159 E160 F165 S166 K167 V232 | L159-F163 WeakPolarHBondContact O-CB 3.5Å; L159-F163 PolarHBondContact O-N 3.22Å; L159-F163 VanDerWaalsContact O-N 3.12Å; E160-F163 CarbonylContact O-C 3.2Å; E160-F163 PolarHBondContact O-N 3.06Å; F163-F165 VanDerWaalsContact C-N 3.27Å; F163-F165 PolarHBondContact O-N 3.09Å; F163-S166 CarbonylContact O-C 3.56Å; F163-S166 WeakPolarHBondContact O-CA 3.4Å; F163-S166 WeakPolarHBondContact O-CB 3.24Å; F163-S166 PolarHBondContact O-N 2.96Å; F163-K167 HydrophobicContact CD1-CB 4.17Å; F163-K167 HydrophobicContact CD1-CD 4.43Å; F163-K167 HydrophobicContact CE1-CB 3.98Å; F163-K167 HydrophobicContact CE1-CD 4.41Å; F163-K167 HydrophobicContact CE1-CG 4.27Å; F163-K167 WeakPolarHBondContact O-CB 3.22Å; F163-K167 PolarHBondContact O-N 2.76Å; F163-V232 HydrophobicContact CE2-CG2 3.96Å; F163-V232 HydrophobicContact CZ-CB 4.14Å; F163-V232 HydrophobicContact CZ-CG1 4.11Å; F163-V232 HydrophobicContact CZ-CG2 3.89Å |
| 164 | L | 39.8 | Very low | 39.3 | Very low | 77 Ų | 77 | 90.1 Ų | 90.1 | 40% | 0.403 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -56.6 | -37.6 | -176.3 | -135.2 | 161.4 | 0 | 0 | 0 | 113 | E160 K167 L168 | E160-L164 WeakPolarHBondContact O-CB 3.42Å; E160-L164 PolarHBondContact O-N 3.32Å; L164-K167 WeakPolarHBondContact O-CB 3.11Å; L164-K167 PolarHBondContact O-N 3.17Å; L164-L168 HydrophobicContact CD2-CD1 3.87Å; L164-L168 HydrophobicContact CD2-CG 4.11Å; L164-L168 WeakPolarHBondContact O-CG 3.5Å; L164-L168 PolarHBondContact O-N 3.12Å |
| 165 | F | 38.4 | Very low | 39.3 | Very low | 163 Ų | 163 | 90.1 Ų | 90.1 | 72% | 0.715 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -65.7 | -40.2 | 174.5 | -170.7 | -98.3 | 0 | 0 | 0 | 112.2 | F163 L169 | F163-F165 VanDerWaalsContact C-N 3.27Å; F163-F165 PolarHBondContact O-N 3.09Å; F165-L169 WeakPolarHBondContact O-CB 3.46Å; F165-L169 PolarHBondContact O-N 3.38Å; F165-L169 VanDerWaalsContact O-N 3.1Å |
| 166 | S | 38.1 | Very low | 39.3 | Very low | 51 Ų | 51 | 91.5 Ų | 91.5 | 36% | 0.357 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -69.4 | -39.6 | 175.1 | -163.7 | 0 | 0 | 0 | 0 | 111.9 | F163 L169 L170 | F163-S166 CarbonylContact O-C 3.56Å; F163-S166 WeakPolarHBondContact O-CA 3.4Å; F163-S166 WeakPolarHBondContact O-CB 3.24Å; F163-S166 PolarHBondContact O-N 2.96Å; S166-L169 PolarHBondContact O-N 2.72Å; S166-L170 WeakPolarHBondContact O-CB 3.47Å; S166-L170 PolarHBondContact O-N 3.3Å |
| 167 | K | 40.4 | Very low | 39.2 | Very low | 61 Ų | 61 | 91.3 Ų | 91.3 | 27% | 0.265 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -57.8 | -51.8 | 174.9 | -170 | 178.7 | -177 | 178.9 | 0 | 110.6 | E160 F163 L164 L170 E171 | E160-K167 IonicContact OE1-NZ 2.62Å; E160-K167 PolarHBondContact OE1-NZ 2.99Å; F163-K167 HydrophobicContact CD1-CB 4.17Å; F163-K167 HydrophobicContact CD1-CD 4.43Å; F163-K167 HydrophobicContact CE1-CB 3.98Å; F163-K167 HydrophobicContact CE1-CD 4.41Å; F163-K167 HydrophobicContact CE1-CG 4.27Å; F163-K167 WeakPolarHBondContact O-CB 3.22Å; F163-K167 PolarHBondContact O-N 2.76Å; L164-K167 WeakPolarHBondContact O-CB 3.11Å; L164-K167 PolarHBondContact O-N 3.17Å; K167-L170 PolarHBondContact O-N 3.35Å; K167-E171 VanDerWaalsContact O-CB 3.28Å; K167-E171 WeakPolarHBondContact O-CB 3.23Å; K167-E171 PolarHBondContact O-N 2.89Å |
| 168 | L | 41.2 | Very low | 38.9 | Very low | 112 Ų | 112 | 90.5 Ų | 90.5 | 59% | 0.586 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -62.1 | -42.8 | 175.7 | -72.6 | 167.3 | 0 | 0 | 0 | 112.7 | L164 L170 S172 | L164-L168 HydrophobicContact CD2-CD1 3.87Å; L164-L168 HydrophobicContact CD2-CG 4.11Å; L164-L168 WeakPolarHBondContact O-CG 3.5Å; L164-L168 PolarHBondContact O-N 3.12Å; L168-L170 VanDerWaalsContact C-N 3.31Å; L168-L170 PolarHBondContact O-N 3.13Å; L168-S172 PolarHBondContact O-N 3.24Å; L168-S172 PolarHBondContact O-OG 2.96Å |
| 169 | L | 42.6 | Very low | 38.4 | Very low | 76 Ų | 76 | 87.5 Ų | 87.5 | 40% | 0.398 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66.2 | -34.4 | 178.2 | -166.8 | 67.6 | 0 | 0 | 0 | 111.7 | F165 S166 S172 N173 I203 | F165-L169 WeakPolarHBondContact O-CB 3.46Å; F165-L169 PolarHBondContact O-N 3.38Å; F165-L169 VanDerWaalsContact O-N 3.1Å; S166-L169 PolarHBondContact O-N 2.72Å; L169-S172 PolarHBondContact O-OG 3.44Å; L169-N173 PolarHBondContact O-ND2 3.17Å; L169-I203 HydrophobicContact CD2-CD1 3.74Å; L169-I203 HydrophobicContact CD2-CG1 3.94Å; L169-I203 HydrophobicContact CG-CD1 3.84Å |
| 170 | L | 40.4 | Very low | 38 | Very low | 61 Ų | 61 | 88.8 Ų | 88.8 | 32% | 0.319 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -81.2 | -36.8 | 177.4 | -167 | 66.9 | 0 | 0 | 0 | 112.9 | S166 K167 L168 S172 N173 F174 V232 | S166-L170 WeakPolarHBondContact O-CB 3.47Å; S166-L170 PolarHBondContact O-N 3.3Å; K167-L170 PolarHBondContact O-N 3.35Å; L168-L170 VanDerWaalsContact C-N 3.31Å; L168-L170 PolarHBondContact O-N 3.13Å; L170-S172 VanDerWaalsContact C-N 3.31Å; L170-S172 PolarHBondContact O-N 3.07Å; L170-N173 CarbonylContact O-C 3.59Å; L170-N173 PolarHBondContact O-N 2.97Å; L170-N173 VanDerWaalsContact O-N 3.12Å; L170-F174 WeakPolarHBondContact O-CB 3.36Å; L170-F174 PolarHBondContact O-N 2.96Å; L170-V232 HydrophobicContact CD2-CG1 3.2Å |
| 171 | E | 38.7 | Very low | 37.6 | Very low | 74 Ų | 74 | 92 Ų | 92 | 35% | 0.346 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -56.3 | -46 | 175.1 | -168.3 | 73.6 | -121.8 | 0 | 0 | 110.6 | K167 N173 F174 Q175 | K167-E171 VanDerWaalsContact O-CB 3.28Å; K167-E171 WeakPolarHBondContact O-CB 3.23Å; K167-E171 PolarHBondContact O-N 2.89Å; E171-N173 PolarHBondContact O-N 2.93Å; E171-F174 PolarHBondContact O-N 3.39Å; E171-Q175 VanDerWaalsContact O-CG 3.3Å; E171-Q175 WeakPolarHBondContact O-CG 3.34Å; E171-Q175 PolarHBondContact O-N 3.05Å |
| 172 | S | 35 | Very low | 37.4 | Very low | 68 Ų | 68 | 89.8 Ų | 89.8 | 48% | 0.476 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.7 | -40.3 | 175.2 | 60.1 | 0 | 0 | 0 | 0 | 112.9 | L168 L169 L170 L176 | L168-S172 PolarHBondContact O-N 3.24Å; L168-S172 PolarHBondContact O-OG 2.96Å; L169-S172 PolarHBondContact O-OG 3.44Å; L170-S172 VanDerWaalsContact C-N 3.31Å; L170-S172 PolarHBondContact O-N 3.07Å; S172-L176 WeakPolarHBondContact O-CB 3.19Å; S172-L176 PolarHBondContact O-N 3.12Å |
| 173 | N | 37.1 | Very low | 36.8 | Very low | 69 Ų | 69 | 93.7 Ų | 93.7 | 37% | 0.369 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.9 | -33.9 | 175 | -81.7 | -81.8 | 0 | 0 | 0 | 113.1 | L169 L170 E171 L176 L177 | L169-N173 PolarHBondContact O-ND2 3.17Å; L170-N173 CarbonylContact O-C 3.59Å; L170-N173 PolarHBondContact O-N 2.97Å; L170-N173 VanDerWaalsContact O-N 3.12Å; E171-N173 PolarHBondContact O-N 2.93Å; N173-L176 WeakPolarHBondContact O-CB 3.5Å; N173-L176 PolarHBondContact O-N 2.98Å; N173-L177 PolarHBondContact O-N 2.87Å |
| 174 | F | 37.9 | Very low | 36.5 | Very low | 77 Ų | 77 | 98 Ų | 98 | 34% | 0.338 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -73.9 | -36.5 | 178.8 | -159.9 | -103.3 | 0 | 0 | 0 | 111.6 | L170 E171 L177 K178 | L170-F174 WeakPolarHBondContact O-CB 3.36Å; L170-F174 PolarHBondContact O-N 2.96Å; E171-F174 PolarHBondContact O-N 3.39Å; F174-L177 PolarHBondContact O-N 2.92Å; F174-K178 PolarHBondContact O-N 3.32Å |
| 175 | Q | 35.4 | Very low | 35.8 | Very low | 90 Ų | 90 | 103.6 Ų | 103.6 | 42% | 0.421 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.3 | -42.5 | 168.8 | -64.8 | -75.7 | 56.2 | 0 | 0 | 111.2 | E171 L177 K178 C179 | E171-Q175 VanDerWaalsContact O-CG 3.3Å; E171-Q175 WeakPolarHBondContact O-CG 3.34Å; E171-Q175 PolarHBondContact O-N 3.05Å; Q175-L177 PolarHBondContact O-N 3.08Å; Q175-K178 PolarHBondContact O-N 2.93Å; Q175-C179 PolarHBondContact O-N 2.73Å; Q175-C179 PolarHBondContact O-SG 3.1Å; Q175-C179 VanDerWaalsContact O-SG 3.32Å |
| 176 | L | 36.3 | Very low | 35.2 | Very low | 105 Ų | 105 | 100.6 Ų | 100.6 | 55% | 0.55 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -54.9 | -40.1 | 173.3 | -163.6 | 83.1 | 0 | 0 | 0 | 111.7 | S172 N173 C179 K180 | S172-L176 WeakPolarHBondContact O-CB 3.19Å; S172-L176 PolarHBondContact O-N 3.12Å; N173-L176 WeakPolarHBondContact O-CB 3.5Å; N173-L176 PolarHBondContact O-N 2.98Å; L176-C179 PolarHBondContact O-N 2.73Å; L176-K180 PolarHBondContact O-N 3.45Å |
| 177 | L | 39.4 | Very low | 34.7 | Very low | 77 Ų | 77 | 105.8 Ų | 105.8 | 40% | 0.403 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -70.2 | -29.5 | 178.5 | -159.7 | 69.7 | 0 | 0 | 0 | 113.4 | N173 F174 Q175 K180 | N173-L177 PolarHBondContact O-N 2.87Å; F174-L177 PolarHBondContact O-N 2.92Å; Q175-L177 PolarHBondContact O-N 3.08Å; L177-K180 HydrophobicContact CD1-CD 4.33Å |
| 178 | K | 34.2 | Very low | 34.2 | Very low | 117 Ų | 117 | 108.5 Ų | 108.5 | 51% | 0.509 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -71 | -39.5 | 169.8 | -68.3 | 179.5 | -164.8 | 157.1 | 0 | 112 | F174 Q175 K180 | F174-K178 PolarHBondContact O-N 3.32Å; Q175-K178 PolarHBondContact O-N 2.93Å; K178-K180 VanDerWaalsContact C-N 3.33Å; K178-K180 PolarHBondContact O-N 2.84Å |
| 179 | C | 30.9 | Very low | 33.7 | Very low | 86 Ų | 86 | 110.2 Ų | 110.2 | 58% | 0.581 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -72.3 | -18.9 | -175 | -66.6 | 0 | 0 | 0 | 0 | 114.7 | Q175 L176 N181 V182 | Q175-C179 PolarHBondContact O-N 2.73Å; Q175-C179 PolarHBondContact O-SG 3.1Å; Q175-C179 VanDerWaalsContact O-SG 3.32Å; L176-C179 PolarHBondContact O-N 2.73Å; C179-N181 PolarHBondContact O-N 3.04Å; C179-V182 PolarHBondContact O-N 3.09Å |
| 180 | K | 32 | Very low | 33.1 | Very low | 114 Ų | 114 | 112.7 Ų | 112.7 | 50% | 0.496 | 60% | 0.604 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.6 | -11.1 | 179.5 | -82.2 | -178.5 | 179.6 | 172.1 | 0 | 115.5 | L176 L177 K178 E250 | L176-K180 PolarHBondContact O-N 3.45Å; L177-K180 HydrophobicContact CD1-CD 4.33Å; K178-K180 VanDerWaalsContact C-N 3.33Å; K178-K180 PolarHBondContact O-N 2.84Å; K180-E250 IonicContact NZ-OE1 2.73Å; K180-E250 PolarHBondContact NZ-OE1 3.33Å; K180-E250 IonicContact NZ-OE2 3.68Å |
| 181 | N | 35.3 | Very low | 32.6 | Very low | 151 Ų | 151 | 118.1 Ų | 118.1 | 81% | 0.807 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | 0.7 | -176.3 | -73.6 | -32.7 | 0 | 0 | 0 | 115.7 | C179 | C179-N181 PolarHBondContact O-N 3.04Š|
| 182 | V | 33.3 | Very low | 32.6 | Very low | 126 Ų | 126 | 120 Ų | 120 | 76% | 0.764 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -120.6 | -15.9 | -166.2 | -176.9 | 0 | 0 | 0 | 0 | 115 | C179 | C179-V182 PolarHBondContact O-N 3.09Š|
| 183 | L | 26.2 | Very low | 32.4 | Very low | 166 Ų | 166 | 124.6 Ų | 124.6 | 87% | 0.869 | 67% | 0.665 | S | S | * | * | trans | -105.7 | 89.9 | -179.3 | -78.1 | 171.9 | 0 | 0 | 0 | 113.2 | ||||
| 184 | V | 33.7 | Very low | 32.3 | Very low | 138 Ų | 138 | 130.4 Ų | 130.4 | 84% | 0.836 | 69% | 0.689 | S | S | * | * | trans | -85.5 | 116.2 | 153.9 | 175.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 185 | F | 26.2 | Very low | 31.6 | Very low | 193 Ų | 193 | 129.4 Ų | 129.4 | 85% | 0.846 | 70% | 0.701 | S | S | * | * | trans | -151 | 157.2 | 155.1 | -137.5 | -94.1 | 0 | 0 | 0 | 112 | ||||
| 186 | S | 25.3 | Very low | 31.6 | Very low | 100 Ų | 100 | 132.9 Ų | 132.9 | 70% | 0.699 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -75 | 153.2 | -163.8 | -52.7 | 0 | 0 | 0 | 0 | 114.9 | P188 | S186-P188 VanDerWaalsContact O-CD 3.3Å; S186-P188 WeakPolarHBondContact O-CD 3.38Å |
| 187 | I | 27.8 | Very low | 31.2 | Very low | 160 Ų | 160 | 138 Ų | 138 | 82% | 0.821 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 120.5 | 169.9 | -60 | 167.9 | 0 | 0 | 0 | 109.5 | ||
| 188 | P | 28.4 | Very low | 30.6 | Very low | 119 Ų | 119 | 143.2 Ų | 143.2 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -84 | 138.6 | 148.7 | 34.1 | -29.7 | 0 | 0 | 0 | 109.4 | S186 | S186-P188 VanDerWaalsContact O-CD 3.3Å; S186-P188 WeakPolarHBondContact O-CD 3.38Å |
| 189 | D | 32.3 | Very low | 30.4 | Very low | 148 Ų | 148 | 143.4 Ų | 143.4 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 166.4 | -175.5 | -173.9 | 28.2 | 0 | 0 | 0 | 113.2 | ||
| 190 | N | 28.5 | Very low | 30.4 | Very low | 127 Ų | 127 | 144.2 Ų | 144.2 | 68% | 0.679 | 78% | 0.781 | S | S | * | * | trans | 100.7 | 143.8 | 151 | -146 | -18.6 | 0 | 0 | 0 | 118.8 | ||||
| 191 | K | 31 | Very low | 30.3 | Very low | 175 Ų | 175 | 145.5 Ų | 145.5 | 76% | 0.761 | 79% | 0.792 | S | S | * | * | trans | 76 | 83 | 167.1 | -52.9 | -166.6 | -179.3 | 177.8 | 0 | 119.1 | ||||
| 192 | S | 37.7 | Very low | 30 | Very low | 114 Ų | 114 | 142 Ų | 142 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | -11.5 | 120 | 146.1 | 179.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 193 | I | 30.8 | Very low | 29.9 | Very low | 165 Ų | 165 | 139 Ų | 139 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | trans | -130.9 | 129.9 | 147.7 | -63.8 | -176.8 | 0 | 0 | 0 | 107.7 | ||||
| 194 | H | 35.3 | Very low | 30.4 | Very low | 191 Ų | 191 | 136.3 Ų | 136.3 | 88% | 0.884 | 75% | 0.745 | S | S | * | * | trans | -81.1 | 121.4 | 176.7 | -132.8 | -94.9 | 0 | 0 | 0 | 109.2 | ||||
| 195 | G | 24.7 | Very low | 30.1 | Very low | 56 Ų | 56 | 133.8 Ų | 133.8 | 58% | 0.577 | 73% | 0.733 | S | S | * | * | trans | -169.2 | 136.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | F197 | G195-F197 PolarHBondContact O-N 3.03Š| ||
| 196 | D | 35.5 | Very low | 30.4 | Very low | 163 Ų | 163 | 133.4 Ų | 133.4 | 87% | 0.872 | 73% | 0.732 | S | S | * | * | trans | -63.6 | 92 | -166.3 | -69.5 | -54.8 | 0 | 0 | 0 | 116.5 | K198 | D196-K198 VanDerWaalsContact C-N 3.26Å; D196-K198 PolarHBondContact O-N 3.33Å | ||
| 197 | F | 26.8 | Very low | 31.1 | Very low | 212 Ų | 212 | 131.8 Ų | 131.8 | 93% | 0.93 | 71% | 0.712 | S | S | * | * | trans | -81.8 | 63.6 | 164.9 | -88.5 | -86.4 | 0 | 0 | 0 | 112.8 | G195 C199 | G195-F197 PolarHBondContact O-N 3.03Å; F197-C199 PolarHBondContact O-N 3.28Å | ||
| 198 | K | 27 | Very low | 31.1 | Very low | 186 Ų | 186 | 129 Ų | 129 | 81% | 0.809 | 71% | 0.705 | S | S | * | * | trans | -95.1 | 34.2 | -179.5 | -153.6 | 175.9 | -178.6 | 175.6 | 0 | 114.3 | D196 | D196-K198 VanDerWaalsContact C-N 3.26Å; D196-K198 PolarHBondContact O-N 3.33Å | ||
| 199 | C | 30 | Very low | 31.1 | Very low | 122 Ų | 122 | 127.9 Ų | 127.9 | 82% | 0.824 | 71% | 0.705 | S | S | * | * | trans | -121.7 | 75.1 | -175.9 | -74.7 | 0 | 0 | 0 | 0 | 113.4 | F197 | F197-C199 PolarHBondContact O-N 3.28Š| ||
| 200 | S | 30.5 | Very low | 31.3 | Very low | 103 Ų | 103 | 126 Ų | 126 | 72% | 0.72 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -155.5 | -19 | 166.3 | 63.5 | 0 | 0 | 0 | 0 | 115.2 | ||
| 201 | L | 31 | Very low | 31.4 | Very low | 140 Ų | 140 | 127 Ų | 127 | 73% | 0.733 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -114 | 6 | -165.4 | -130.6 | 73 | 0 | 0 | 0 | 116.1 | ||
| 202 | S | 27.6 | Very low | 31.7 | Very low | 79 Ų | 79 | 122.3 Ų | 122.3 | 55% | 0.552 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -84.5 | -10.1 | -174.6 | 48.9 | 0 | 0 | 0 | 0 | 115.5 | S205 | S202-S205 PolarHBondContact O-OG 2.99Š|
| 203 | I | 32.4 | Very low | 32.3 | Very low | 62 Ų | 62 | 121.7 Ų | 121.7 | 32% | 0.318 | 69% | 0.693 | S | S | . | * | S | Bend | trans | -83.4 | -28.9 | 179.2 | -58.8 | 176.4 | 0 | 0 | 0 | 111 | L169 S205 F206 | L169-I203 HydrophobicContact CD2-CD1 3.74Å; L169-I203 HydrophobicContact CD2-CG1 3.94Å; L169-I203 HydrophobicContact CG-CD1 3.84Å; I203-S205 PolarHBondContact O-N 3.39Å; I203-F206 PolarHBondContact O-N 3.36Å |
| 204 | L | 35.2 | Very low | 33.2 | Very low | 109 Ų | 109 | 124.8 Ų | 124.8 | 57% | 0.571 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -74.1 | -13.4 | 178.7 | -152.7 | 74.7 | 0 | 0 | 0 | 113.3 | F206 F207 | L204-F206 VanDerWaalsContact C-N 3.27Å; L204-F206 PolarHBondContact O-N 3.18Å; L204-F207 HydrophobicContact CD1-CD2 4.18Å; L204-F207 HydrophobicContact CD1-CE2 3.86Å; L204-F207 HydrophobicContact CG-CD2 4.34Å; L204-F207 WeakPolarHBondContact O-CD2 3.32Å |
| 205 | S | 29 | Very low | 34.1 | Very low | 85 Ų | 85 | 121.8 Ų | 121.8 | 59% | 0.594 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -77.2 | -2.3 | 175.4 | 27.7 | 0 | 0 | 0 | 0 | 115.1 | S202 I203 | S202-S205 PolarHBondContact O-OG 2.99Å; I203-S205 PolarHBondContact O-N 3.39Å |
| 206 | F | 31.1 | Very low | 35.7 | Very low | 185 Ų | 185 | 123.3 Ų | 123.3 | 81% | 0.811 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -81.7 | -9.9 | 172.6 | -90.3 | -84.1 | 0 | 0 | 0 | 114.4 | I203 L204 | I203-F206 PolarHBondContact O-N 3.36Å; L204-F206 VanDerWaalsContact C-N 3.27Å; L204-F206 PolarHBondContact O-N 3.18Å |
| 207 | F | 40.3 | Very low | 37.4 | Very low | 66 Ų | 66 | 124.5 Ų | 124.5 | 29% | 0.289 | 67% | 0.671 | S | S | . | * | S | Bend | trans | -67 | 128 | 159.6 | -68.6 | -75.9 | 0 | 0 | 0 | 108 | L204 A209 K225 M228 | L204-F207 HydrophobicContact CD1-CD2 4.18Å; L204-F207 HydrophobicContact CD1-CE2 3.86Å; L204-F207 HydrophobicContact CG-CD2 4.34Å; L204-F207 WeakPolarHBondContact O-CD2 3.32Å; F207-A209 PolarHBondContact O-N 3.02Å; F207-K225 HydrophobicContact CE1-CG 3.86Å; F207-K225 HydrophobicContact CZ-CD 4.3Å; F207-K225 HydrophobicContact CZ-CG 3.92Å; F207-M228 HydrophobicContact CE1-CG 4.39Å |
| 208 | P | 28.6 | Very low | 39.6 | Very low | 102 Ų | 102 | 116.1 Ų | 116.1 | 66% | 0.662 | 64% | 0.638 | S | S | * | * | trans | -56.9 | 120.9 | -178.9 | 22.7 | -33.1 | 0 | 0 | 0 | 108.9 | S210 | P208-S210 PolarHBondContact O-N 2.89Š| ||
| 209 | A | 28.4 | Very low | 42 | Very low | 95 Ų | 95 | 108.5 Ų | 108.5 | 79% | 0.785 | 61% | 0.606 | S | S | * | * | trans | -71.3 | 69.5 | -169.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F207 V211 | F207-A209 PolarHBondContact O-N 3.02Å; A209-V211 WeakPolarHBondContact O-CG2 3.23Å; A209-V211 PolarHBondContact O-N 2.99Å; A209-V211 VanDerWaalsContact O-N 3.14Å | ||
| 210 | S | 35.4 | Very low | 44.1 | Very low | 108 Ų | 108 | 105.6 Ų | 105.6 | 76% | 0.755 | 58% | 0.578 | S | S | * | * | trans | -60 | 117.2 | 173.1 | -165.3 | 0 | 0 | 0 | 0 | 108.1 | P208 N212 | P208-S210 PolarHBondContact O-N 2.89Å; S210-N212 PolarHBondContact O-N 3.37Å | ||
| 211 | V | 30.9 | Very low | 46.1 | Very low | 149 Ų | 149 | 101.9 Ų | 101.9 | 90% | 0.903 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -73.5 | 64.6 | -163.2 | -169.7 | 0 | 0 | 0 | 0 | 111.8 | A209 | A209-V211 WeakPolarHBondContact O-CG2 3.23Å; A209-V211 PolarHBondContact O-N 2.99Å; A209-V211 VanDerWaalsContact O-N 3.14Å |
| 212 | N | 38.6 | Very low | 48.3 | Very low | 76 Ų | 76 | 96.2 Ų | 96.2 | 41% | 0.406 | 52% | 0.521 | S | S | . | . | trans | -160.8 | 68 | -179.9 | -157.8 | -12.8 | 0 | 0 | 0 | 113.4 | S210 R214 K215 | S210-N212 PolarHBondContact O-N 3.37Å; N212-R214 PolarHBondContact O-N 3.5Å; N212-K215 PolarHBondContact O-N 3.16Å | ||
| 213 | S | 49.1 | Very low | 50.8 | Low | 101 Ų | 101 | 92.8 Ų | 92.8 | 71% | 0.706 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -15.3 | 176.5 | 56.2 | 0 | 0 | 0 | 0 | 114.9 | K215 D216 | S213-K215 PolarHBondContact O-N 3.21Å; S213-D216 WeakPolarHBondContact CA-OD2 3.46Å |
| 214 | R | 50.7 | Low | 52.8 | Low | 231 Ų | 231 | 91.9 Ų | 91.9 | 87% | 0.872 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -13.9 | 170.7 | -71 | -178.2 | -86 | -164.6 | -7.7 | 113.4 | N212 | N212-R214 PolarHBondContact O-N 3.5Š|
| 215 | K | 54.3 | Low | 54.9 | Low | 127 Ų | 127 | 89 Ų | 89 | 55% | 0.552 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -106.6 | -8.4 | -174.6 | -155.5 | 165.6 | -174 | 171.2 | 0 | 115.1 | N212 S213 K217 S218 | N212-K215 PolarHBondContact O-N 3.16Å; S213-K215 PolarHBondContact O-N 3.21Å; K215-K217 PolarHBondContact O-N 3.36Å; K215-S218 WeakPolarHBondContact O-CB 3.48Å; K215-S218 PolarHBondContact O-N 3.23Å |
| 216 | D | 58.2 | Low | 57.5 | Low | 89 Ų | 89 | 85 Ų | 85 | 48% | 0.476 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -16.3 | -176.6 | -70.9 | -44.5 | 0 | 0 | 0 | 115.3 | S213 S218 | S213-D216 WeakPolarHBondContact CA-OD2 3.46Å; D216-S218 VanDerWaalsContact C-N 3.27Å |
| 217 | K | 71 | Confident | 59.7 | Low | 188 Ų | 188 | 77.8 Ų | 77.8 | 82% | 0.817 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -2.1 | 174.8 | -62.6 | 171.1 | -175.1 | 172.4 | 0 | 112.9 | K215 | K215-K217 PolarHBondContact O-N 3.36Š|
| 218 | S | 72.9 | Confident | 61.4 | Low | 35 Ų | 35 | 77.7 Ų | 77.7 | 25% | 0.245 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -68.8 | 144.4 | -179.2 | -175 | 0 | 0 | 0 | 0 | 112.4 | K215 D216 R220 V221 M222 | K215-S218 WeakPolarHBondContact O-CB 3.48Å; K215-S218 PolarHBondContact O-N 3.23Å; D216-S218 VanDerWaalsContact C-N 3.27Å; S218-R220 PolarHBondContact O-N 3.23Å; S218-R220 VanDerWaalsContact O-N 3.07Å; S218-R220 PolarHBondContact OG-N 3.47Å; S218-V221 PolarHBondContact O-N 3.48Å; S218-M222 PolarHBondContact O-N 2.85Å |
| 219 | L | 76.1 | Confident | 63.7 | Low | 27 Ų | 27 | 73.9 Ų | 73.9 | 14% | 0.141 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -52 | -29.8 | 169.5 | -171.6 | 73.1 | 0 | 0 | 0 | 112.2 | V117 I120 M222 S223 R267 I271 | V117-L219 HydrophobicContact CB-CD2 4.18Å; V117-L219 HydrophobicContact CG1-CD2 4.24Å; V117-L219 HydrophobicContact CG2-CD2 3.74Å; I120-L219 HydrophobicContact CB-CD2 4.48Å; I120-L219 HydrophobicContact CD1-CB 4.13Å; I120-L219 HydrophobicContact CD1-CD2 4.37Å; I120-L219 HydrophobicContact CG2-CB 4.22Å; I120-L219 HydrophobicContact CG2-CD2 4.22Å; I120-L219 HydrophobicContact CG2-CG 4.17Å; L219-M222 PolarHBondContact O-N 3.12Å; L219-S223 PolarHBondContact O-N 3.23Å; L219-S223 PolarHBondContact O-OG 2.94Å; L219-R267 HydrophobicContact CD1-CB 3.83Å; L219-R267 HydrophobicContact CD1-CG 4.12Å; L219-I271 HydrophobicContact CD1-CD1 3.82Å; L219-I271 HydrophobicContact CD1-CG1 4.2Å |
| 220 | R | 75.6 | Confident | 66 | Low | 61 Ų | 61 | 69.3 Ų | 69.3 | 23% | 0.23 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.5 | -45.9 | 175.3 | 175 | 165.3 | -53 | -60.1 | 5.7 | 112.9 | I120 K123 T124 S218 S223 Q224 | I120-R220 VanDerWaalsContact CG2-CA 3.45Å; I120-R220 HydrophobicContact CG2-CB 3.84Å; I120-R220 PolarHBondContact O-NH1 2.89Å; K123-R220 VanDerWaalsContact C-NH1 3.26Å; T124-R220 WeakPolarHBondContact OG1-CG 3.2Å; T124-R220 PolarHBondContact OG1-NH1 3.34Å; T124-R220 PolarHBondContact OG1-O 2.81Å; S218-R220 PolarHBondContact O-N 3.23Å; S218-R220 VanDerWaalsContact O-N 3.07Å; S218-R220 PolarHBondContact OG-N 3.47Å; R220-S223 PolarHBondContact O-OG 2.96Å; R220-Q224 WeakPolarHBondContact O-CB 3.36Å; R220-Q224 PolarHBondContact O-N 3.43Å; R220-Q224 VanDerWaalsContact O-N 3.15Å |
| 221 | V | 71.6 | Confident | 68 | Low | 24 Ų | 24 | 66.4 Ų | 66.4 | 15% | 0.145 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -75.4 | -33.7 | 179.7 | -179.1 | 0 | 0 | 0 | 0 | 110 | S218 K225 | S218-V221 PolarHBondContact O-N 3.48Å; V221-K225 HydrophobicContact CG1-CD 4.13Å; V221-K225 HydrophobicContact CG1-CG 4.42Å; V221-K225 WeakPolarHBondContact O-CB 3.46Å; V221-K225 WeakPolarHBondContact O-CG 3.49Å; V221-K225 PolarHBondContact O-N 3.45Å |
| 222 | M | 77.4 | Confident | 69.7 | Low | 21 Ų | 21 | 61 Ų | 61 | 10% | 0.103 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.4 | -46.8 | 174.5 | -162.6 | -176.2 | -50.1 | 0 | 0 | 112.4 | S218 L219 F226 L247 K264 R267 L268 I271 | S218-M222 PolarHBondContact O-N 2.85Å; L219-M222 PolarHBondContact O-N 3.12Å; M222-F226 VanDerWaalsContact O-CB 3.22Å; M222-F226 WeakPolarHBondContact O-CB 3.45Å; M222-F226 PolarHBondContact O-N 3.41Å; M222-L247 HydrophobicContact CG-CD1 4.24Å; M222-K264 HydrophobicContact CE-CB 4.49Å; M222-K264 HydrophobicContact CE-CG 3.83Å; M222-K264 HydrophobicContact SD-CB 4.43Å; M222-K264 HydrophobicContact SD-CG 4.35Å; M222-R267 HydrophobicContact CE-CB 4.24Å; M222-R267 HydrophobicContact SD-CB 3.62Å; M222-L268 HydrophobicContact CG-CD2 4.26Å; M222-L268 HydrophobicContact SD-CD2 4.42Å; M222-I271 HydrophobicContact CG-CD1 4.38Å; M222-I271 HydrophobicContact SD-CD1 4.47Å |
| 223 | S | 81.1 | Confident | 71.2 | Confident | 7 Ų | 7 | 58.4 Ų | 58.4 | 5% | 0.049 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.9 | -39.5 | 177.4 | 61.6 | 0 | 0 | 0 | 0 | 112.3 | T124 L219 R220 F226 V227 | T124-S223 PolarHBondContact OG1-OG 3.45Å; L219-S223 PolarHBondContact O-N 3.23Å; L219-S223 PolarHBondContact O-OG 2.94Å; R220-S223 PolarHBondContact O-OG 2.96Å; S223-F226 PolarHBondContact O-N 3.46Å; S223-V227 WeakPolarHBondContact O-CG2 3.37Å; S223-V227 PolarHBondContact O-N 3.32Å |
| 224 | Q | 74.3 | Confident | 71.8 | Confident | 43 Ų | 43 | 58.1 Ų | 58.1 | 20% | 0.201 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.6 | -52.9 | 174.3 | -173.8 | -175.2 | -8.8 | 0 | 0 | 111.6 | T124 M128 R220 F226 V227 M228 | T124-Q224 HydrophobicContact CG2-CB 3.71Å; T124-Q224 HydrophobicContact CG2-CG 4.33Å; M128-Q224 HydrophobicContact CE-CG 4.18Å; M128-Q224 HydrophobicContact SD-CG 3.8Å; M128-Q224 PolarHBondContact SD-NE2 3.02Å; R220-Q224 WeakPolarHBondContact O-CB 3.36Å; R220-Q224 PolarHBondContact O-N 3.43Å; R220-Q224 VanDerWaalsContact O-N 3.15Å; Q224-F226 VanDerWaalsContact C-N 3.3Å; Q224-F226 PolarHBondContact O-N 3.35Å; Q224-V227 PolarHBondContact O-N 3.18Å; Q224-M228 WeakPolarHBondContact O-CB 3.26Å; Q224-M228 PolarHBondContact O-N 3.19Å |
| 225 | K | 79.1 | Confident | 72.5 | Confident | 50 Ų | 50 | 51.3 Ų | 51.3 | 22% | 0.217 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.1 | -28.8 | -179.9 | -70.9 | -175.9 | 175.6 | -176.5 | 0 | 112.5 | F207 V221 L229 L247 | F207-K225 HydrophobicContact CE1-CG 3.86Å; F207-K225 HydrophobicContact CZ-CD 4.3Å; F207-K225 HydrophobicContact CZ-CG 3.92Å; V221-K225 HydrophobicContact CG1-CD 4.13Å; V221-K225 HydrophobicContact CG1-CG 4.42Å; V221-K225 WeakPolarHBondContact O-CB 3.46Å; V221-K225 WeakPolarHBondContact O-CG 3.49Å; V221-K225 PolarHBondContact O-N 3.45Å; K225-L229 WeakPolarHBondContact O-CB 3.39Å; K225-L229 PolarHBondContact O-N 2.86Å; K225-L229 VanDerWaalsContact O-N 3.07Å; K225-L247 HydrophobicContact CB-CD2 3.24Å; K225-L247 HydrophobicContact CD-CD2 4.13Å; K225-L247 HydrophobicContact CG-CD2 4.31Å |
| 226 | F | 82.1 | Confident | 73.5 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69.5 | -46.7 | 174.2 | -175.2 | -124.1 | 0 | 0 | 0 | 112.2 | M222 S223 Q224 L229 F230 V238 L240 A243 L247 L268 I271 A272 L275 | M222-F226 VanDerWaalsContact O-CB 3.22Å; M222-F226 WeakPolarHBondContact O-CB 3.45Å; M222-F226 PolarHBondContact O-N 3.41Å; S223-F226 PolarHBondContact O-N 3.46Å; Q224-F226 VanDerWaalsContact C-N 3.3Å; Q224-F226 PolarHBondContact O-N 3.35Å; F226-L229 WeakPolarHBondContact O-CB 3.39Å; F226-L229 PolarHBondContact O-N 3.38Å; F226-F230 HydrophobicContact CD1-CE2 4.01Å; F226-F230 HydrophobicContact CD2-CE2 4.11Å; F226-F230 AromaticContact CE1-CE2 3.69Å; F226-F230 HydrophobicContact CE1-CE2 3.69Å; F226-F230 HydrophobicContact CE1-CZ 4.19Å; F226-F230 AromaticContact CE2-CE2 3.78Å; F226-F230 HydrophobicContact CE2-CE2 3.78Å; F226-F230 HydrophobicContact CE2-CZ 4.08Å; F226-F230 HydrophobicContact CG-CE2 4.23Å; F226-F230 AromaticContact CZ-CE2 3.56Å; F226-F230 HydrophobicContact CZ-CE2 3.56Å; F226-F230 AromaticContact CZ-CZ 3.74Å; F226-F230 HydrophobicContact CZ-CZ 3.74Å; F226-F230 WeakPolarHBondContact O-CD2 3.39Å; F226-V238 HydrophobicContact CE2-CG1 4.2Å; F226-L240 HydrophobicContact CE2-CD2 3.84Å; F226-L240 HydrophobicContact CZ-CD2 3.59Å; F226-A243 HydrophobicContact CD2-CB 3.89Å; F226-A243 HydrophobicContact CE2-CB 3.86Å; F226-L247 HydrophobicContact CB-CD1 4.36Å; F226-L268 HydrophobicContact CB-CD2 4.04Å; F226-L268 HydrophobicContact CD1-CD2 4.2Å; F226-L268 HydrophobicContact CD2-CD2 3.66Å; F226-L268 HydrophobicContact CE2-CD2 4.08Å; F226-L268 HydrophobicContact CG-CD2 3.72Å; F226-I271 HydrophobicContact CD1-CB 4.4Å; F226-I271 HydrophobicContact CD1-CG2 3.67Å; F226-I271 HydrophobicContact CE1-CG2 4.1Å; F226-A272 HydrophobicContact CE1-CB 4.15Å; F226-A272 HydrophobicContact CZ-CB 4.3Å; F226-L275 HydrophobicContact CD1-CD1 4.03Å; F226-L275 HydrophobicContact CE1-CD1 4.03Å |
| 227 | V | 78.3 | Confident | 74.4 | Confident | 33 Ų | 33 | 47.5 Ų | 47.5 | 20% | 0.2 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.8 | -45 | 173.9 | 173.4 | 0 | 0 | 0 | 0 | 110.7 | S223 Q224 L229 F230 L231 L275 W298 | S223-V227 WeakPolarHBondContact O-CG2 3.37Å; S223-V227 PolarHBondContact O-N 3.32Å; Q224-V227 PolarHBondContact O-N 3.18Å; V227-L229 PolarHBondContact O-N 3.35Å; V227-F230 PolarHBondContact O-N 3.15Å; V227-L231 PolarHBondContact O-N 3.07Å; V227-L275 HydrophobicContact CG2-CD1 3.99Å; V227-L275 HydrophobicContact CG2-CD2 4.24Å; V227-W298 HydrophobicContact CG1-CH2 4.21Å; V227-W298 HydrophobicContact CG1-CZ3 4.25Å |
| 228 | M | 76 | Confident | 74.9 | Confident | 65 Ų | 65 | 38.8 Ų | 38.8 | 32% | 0.32 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -55.9 | -38.7 | 176.3 | -171.1 | 61.1 | 66.7 | 0 | 0 | 112.1 | F207 Q224 F230 L231 V232 | F207-M228 HydrophobicContact CE1-CG 4.39Å; Q224-M228 WeakPolarHBondContact O-CB 3.26Å; Q224-M228 PolarHBondContact O-N 3.19Å; M228-F230 VanDerWaalsContact C-N 3.29Å; M228-F230 PolarHBondContact O-N 3.06Å; M228-L231 PolarHBondContact O-N 2.84Å; M228-V232 HydrophobicContact CG-CG2 3.96Å; M228-V232 VanDerWaalsContact O-CB 3.24Å; M228-V232 WeakPolarHBondContact O-CB 3.48Å; M228-V232 VanDerWaalsContact O-CG2 3.23Å; M228-V232 WeakPolarHBondContact O-CG2 3.35Å; M228-V232 PolarHBondContact O-N 3.16Å; M228-V232 HydrophobicContact SD-CG2 3.85Å |
| 229 | L | 77.5 | Confident | 75.5 | Confident | 21 Ų | 21 | 38.6 Ų | 38.6 | 11% | 0.11 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.8 | -31 | 178.8 | -174.2 | 59.8 | 0 | 0 | 0 | 113 | K225 F226 V227 S233 V238 A243 I246 | K225-L229 WeakPolarHBondContact O-CB 3.39Å; K225-L229 PolarHBondContact O-N 2.86Å; K225-L229 VanDerWaalsContact O-N 3.07Å; F226-L229 WeakPolarHBondContact O-CB 3.39Å; F226-L229 PolarHBondContact O-N 3.38Å; V227-L229 PolarHBondContact O-N 3.35Å; L229-S233 WeakPolarHBondContact CD1-OG 3.42Å; L229-S233 WeakPolarHBondContact O-CB 3.26Å; L229-S233 PolarHBondContact O-N 3.32Å; L229-S233 PolarHBondContact O-OG 2.98Å; L229-V238 HydrophobicContact CD2-CG1 3.7Å; L229-V238 HydrophobicContact CG-CG1 4.17Å; L229-V238 HydrophobicContact CG-CG2 4.07Å; L229-A243 HydrophobicContact CD2-CB 3.78Å; L229-I246 HydrophobicContact CD1-CD1 3.89Å; L229-I246 HydrophobicContact CD2-CD1 4.04Å |
| 230 | F | 76.8 | Confident | 75.9 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -70.1 | -44.4 | 173.1 | -71.8 | -83.5 | 0 | 0 | 0 | 112.5 | F226 V227 M228 V232 H236 V238 I281 F296 W298 | F226-F230 HydrophobicContact CD1-CE2 4.01Å; F226-F230 HydrophobicContact CD2-CE2 4.11Å; F226-F230 AromaticContact CE1-CE2 3.69Å; F226-F230 HydrophobicContact CE1-CE2 3.69Å; F226-F230 HydrophobicContact CE1-CZ 4.19Å; F226-F230 AromaticContact CE2-CE2 3.78Å; F226-F230 HydrophobicContact CE2-CE2 3.78Å; F226-F230 HydrophobicContact CE2-CZ 4.08Å; F226-F230 HydrophobicContact CG-CE2 4.23Å; F226-F230 AromaticContact CZ-CE2 3.56Å; F226-F230 HydrophobicContact CZ-CE2 3.56Å; F226-F230 AromaticContact CZ-CZ 3.74Å; F226-F230 HydrophobicContact CZ-CZ 3.74Å; F226-F230 WeakPolarHBondContact O-CD2 3.39Å; V227-F230 PolarHBondContact O-N 3.15Å; M228-F230 VanDerWaalsContact C-N 3.29Å; M228-F230 PolarHBondContact O-N 3.06Å; F230-V232 VanDerWaalsContact C-N 3.26Å; F230-V232 PolarHBondContact O-N 2.77Å; F230-H236 PolarHBondContact O-ND1 3.17Å; F230-V238 HydrophobicContact CD1-CB 4.05Å; F230-V238 HydrophobicContact CD1-CG2 3.6Å; F230-V238 HydrophobicContact CD2-CG2 4.44Å; F230-V238 HydrophobicContact CE1-CB 3.63Å; F230-V238 HydrophobicContact CE1-CG2 3.75Å; F230-V238 HydrophobicContact CE2-CB 4.47Å; F230-V238 HydrophobicContact CG-CG2 3.97Å; F230-V238 HydrophobicContact CZ-CB 3.86Å; F230-V238 HydrophobicContact CZ-CG2 4.23Å; F230-I281 HydrophobicContact CE1-CG2 4.28Å; F230-I281 HydrophobicContact CZ-CD1 4.25Å; F230-I281 HydrophobicContact CZ-CG2 4.27Å; F230-F296 HydrophobicContact CE1-CB 3.83Å; F230-F296 HydrophobicContact CZ-CB 3.83Å; F230-W298 HydrophobicContact CB-CB 4.16Å; F230-W298 HydrophobicContact CB-CD2 4.17Å; F230-W298 HydrophobicContact CB-CE3 3.75Å; F230-W298 HydrophobicContact CB-CG 4.36Å; F230-W298 HydrophobicContact CD1-CB 4.13Å; F230-W298 HydrophobicContact CD1-CE3 4.48Å; F230-W298 HydrophobicContact CD2-CE3 4.36Å; F230-W298 HydrophobicContact CG-CB 4.49Å; F230-W298 AromaticContact CG-CE3 3.97Å; F230-W298 HydrophobicContact CG-CE3 3.97Å |
| 231 | L | 76.6 | Confident | 76.1 | Confident | 47 Ų | 47 | 37.6 Ų | 37.6 | 25% | 0.246 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.1 | -32.9 | 178.9 | -58.5 | 176.8 | 0 | 0 | 0 | 111.9 | F156 V227 M228 W298 | F156-L231 HydrophobicContact CE2-CD1 4.47Å; F156-L231 HydrophobicContact CZ-CD1 4.37Å; V227-L231 PolarHBondContact O-N 3.07Å; M228-L231 PolarHBondContact O-N 2.84Å; L231-W298 HydrophobicContact CD2-CZ2 4.18Å |
| 232 | V | 67.6 | Low | 76.5 | Confident | 35 Ų | 35 | 39 Ų | 39 | 21% | 0.212 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -90.5 | -25.2 | -173.8 | 166.8 | 0 | 0 | 0 | 0 | 113.4 | F163 L170 M228 F230 | F163-V232 HydrophobicContact CE2-CG2 3.96Å; F163-V232 HydrophobicContact CZ-CB 4.14Å; F163-V232 HydrophobicContact CZ-CG1 4.11Å; F163-V232 HydrophobicContact CZ-CG2 3.89Å; L170-V232 HydrophobicContact CD2-CG1 3.2Å; M228-V232 HydrophobicContact CG-CG2 3.96Å; M228-V232 VanDerWaalsContact O-CB 3.24Å; M228-V232 WeakPolarHBondContact O-CB 3.48Å; M228-V232 VanDerWaalsContact O-CG2 3.23Å; M228-V232 WeakPolarHBondContact O-CG2 3.35Å; M228-V232 PolarHBondContact O-N 3.16Å; M228-V232 HydrophobicContact SD-CG2 3.85Å; F230-V232 VanDerWaalsContact C-N 3.26Å; F230-V232 PolarHBondContact O-N 2.77Å |
| 233 | S | 70.1 | Confident | 76.9 | Confident | 21 Ų | 21 | 38 Ų | 38 | 15% | 0.147 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -82.8 | 132.6 | -178.8 | -60.5 | 0 | 0 | 0 | 0 | 111.8 | L229 P235 H236 | L229-S233 WeakPolarHBondContact CD1-OG 3.42Å; L229-S233 WeakPolarHBondContact O-CB 3.26Å; L229-S233 PolarHBondContact O-N 3.32Å; L229-S233 PolarHBondContact O-OG 2.98Å; S233-P235 CarbonylContact C-O 3.34Å; S233-P235 WeakPolarHBondContact CB-O 3.46Å; S233-P235 CarbonylContact O-C 3.53Å; S233-H236 WeakPolarHBondContact O-CA 3.18Å; S233-H236 PolarHBondContact O-N 2.84Å; S233-H236 PolarHBondContact O-ND1 3.41Å; S233-H236 VanDerWaalsContact O-ND1 3.08Å |
| 234 | N | 60.4 | Low | 77 | Confident | 96 Ų | 96 | 37.7 Ų | 37.7 | 51% | 0.513 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -112.8 | 121.7 | 163.3 | -169.8 | 6.3 | 0 | 0 | 0 | 109.1 | ||
| 235 | P | 65.5 | Low | 77.3 | Confident | 87 Ų | 87 | 42.5 Ų | 42.5 | 57% | 0.565 | 23% | 0.228 | S | C | * | . | S | Bend | cis | -64.8 | 162.5 | -8.4 | 31 | -37.3 | 0 | 0 | 0 | 112 | S233 V237 | S233-P235 CarbonylContact C-O 3.34Å; S233-P235 WeakPolarHBondContact CB-O 3.46Å; S233-P235 CarbonylContact O-C 3.53Å; P235-V237 HydrophobicContact CB-CG2 4.39Å; P235-V237 HydrophobicContact CG-CB 4.46Å; P235-V237 PolarHBondContact O-N 3.2Å |
| 236 | H | 74.8 | Confident | 77.3 | Confident | 89 Ų | 89 | 44 Ų | 44 | 41% | 0.412 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -71.3 | 41.3 | 176.9 | -56.4 | -67.8 | 0 | 0 | 0 | 113.7 | F230 S233 K297 W298 | F230-H236 PolarHBondContact O-ND1 3.17Å; S233-H236 WeakPolarHBondContact O-CA 3.18Å; S233-H236 PolarHBondContact O-N 2.84Å; S233-H236 PolarHBondContact O-ND1 3.41Å; S233-H236 VanDerWaalsContact O-ND1 3.08Å; H236-K297 WeakPolarHBondContact O-CA 3.32Å; H236-W298 HydrophobicContact CB-CB 3.87Å; H236-W298 PolarHBondContact O-N 2.86Å |
| 237 | V | 78.3 | Confident | 77 | Confident | 47 Ų | 47 | 45 Ų | 45 | 29% | 0.285 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 115.9 | -177.4 | -179.9 | 0 | 0 | 0 | 0 | 109.3 | P235 V286 A295 F296 K297 | P235-V237 HydrophobicContact CB-CG2 4.39Å; P235-V237 HydrophobicContact CG-CB 4.46Å; P235-V237 PolarHBondContact O-N 3.2Å; V237-V286 HydrophobicContact CG1-CG2 3.71Å; V237-A295 HydrophobicContact CG1-CB 3.88Å; V237-F296 CarbonylContact C-O 3.53Å; V237-F296 VanDerWaalsContact CA-O 3.28Å; V237-F296 WeakPolarHBondContact CA-O 3.4Å; V237-K297 HydrophobicContact CG2-CB 4.2Å; V237-K297 HydrophobicContact CG2-CG 4.03Å |
| 238 | V | 81.2 | Confident | 76.9 | Confident | 5 Ų | 5 | 45.5 Ų | 45.5 | 3% | 0.03 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 123.7 | -175.1 | -179.1 | 0 | 0 | 0 | 0 | 109.8 | F226 L229 F230 A243 F296 | F226-V238 HydrophobicContact CE2-CG1 4.2Å; L229-V238 HydrophobicContact CD2-CG1 3.7Å; L229-V238 HydrophobicContact CG-CG1 4.17Å; L229-V238 HydrophobicContact CG-CG2 4.07Å; F230-V238 HydrophobicContact CD1-CB 4.05Å; F230-V238 HydrophobicContact CD1-CG2 3.6Å; F230-V238 HydrophobicContact CD2-CG2 4.44Å; F230-V238 HydrophobicContact CE1-CB 3.63Å; F230-V238 HydrophobicContact CE1-CG2 3.75Å; F230-V238 HydrophobicContact CE2-CB 4.47Å; F230-V238 HydrophobicContact CG-CG2 3.97Å; F230-V238 HydrophobicContact CZ-CB 3.86Å; F230-V238 HydrophobicContact CZ-CG2 4.23Å; V238-A243 HydrophobicContact CG1-CB 3.77Å; V238-F296 PolarHBondContact N-O 3.14Å; V238-F296 PolarHBondContact O-N 2.95Å |
| 239 | S | 84.4 | Confident | 76.5 | Confident | 31 Ų | 31 | 44.1 Ų | 44.1 | 22% | 0.217 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 143.1 | 168.4 | 65.7 | 0 | 0 | 0 | 0 | 110.6 | D241 V242 A243 | S239-D241 VanDerWaalsContact C-N 3.27Å; S239-D241 PolarHBondContact O-N 2.89Å; S239-V242 PolarHBondContact O-N 2.79Å; S239-V242 VanDerWaalsContact OG-CG2 3.27Å; S239-V242 WeakPolarHBondContact OG-CG2 3.37Å; S239-A243 PolarHBondContact O-N 3.29Å |
| 240 | L | 84.6 | Confident | 75.6 | Confident | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.6 | -27.9 | -170.9 | -59.1 | -169.3 | 0 | 0 | 0 | 113.4 | F226 A244 L268 Y269 F296 | F226-L240 HydrophobicContact CE2-CD2 3.84Å; F226-L240 HydrophobicContact CZ-CD2 3.59Å; L240-A244 WeakPolarHBondContact O-CB 3.49Å; L240-A244 PolarHBondContact O-N 2.95Å; L240-L268 HydrophobicContact CD1-CB 4.43Å; L240-L268 HydrophobicContact CD2-CB 4.23Å; L240-Y269 HydrophobicContact CD1-CD1 3.48Å; L240-Y269 VanDerWaalsContact CD1-CD1 3.48Å; L240-Y269 HydrophobicContact CD1-CD2 3.98Å; L240-Y269 HydrophobicContact CD1-CE1 3.46Å; L240-Y269 VanDerWaalsContact CD1-CE1 3.46Å; L240-Y269 HydrophobicContact CD1-CE2 3.95Å; L240-Y269 HydrophobicContact CD1-CG 3.74Å; L240-F296 HydrophobicContact CD1-CE2 3.83Å; L240-F296 HydrophobicContact CD2-CD2 3.67Å; L240-F296 HydrophobicContact CD2-CE2 3.7Å; L240-F296 HydrophobicContact CG-CD2 4.1Å; L240-F296 HydrophobicContact CG-CE2 3.75Å |
| 241 | D | 81 | Confident | 74.3 | Confident | 66 Ų | 66 | 55.3 Ų | 55.3 | 35% | 0.353 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -72.1 | -38.2 | 177.1 | -58.2 | -51.4 | 0 | 0 | 0 | 112 | S239 A244 K245 F261 | S239-D241 VanDerWaalsContact C-N 3.27Å; S239-D241 PolarHBondContact O-N 2.89Å; D241-A244 PolarHBondContact O-N 2.8Å; D241-K245 WeakPolarHBondContact O-CG 3.41Å; D241-K245 PolarHBondContact O-N 2.88Å; D241-F261 HydrophobicContact CB-CZ 4.31Å |
| 242 | V | 79.9 | Confident | 73.6 | Confident | 54 Ų | 54 | 61 Ų | 61 | 33% | 0.327 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -68.2 | -45.7 | 174.4 | 172.6 | 0 | 0 | 0 | 0 | 109.9 | S239 A244 K245 I246 | S239-V242 PolarHBondContact O-N 2.79Å; S239-V242 VanDerWaalsContact OG-CG2 3.27Å; S239-V242 WeakPolarHBondContact OG-CG2 3.37Å; V242-A244 VanDerWaalsContact C-N 3.34Å; V242-A244 PolarHBondContact O-N 2.96Å; V242-K245 PolarHBondContact O-N 3.36Å; V242-I246 HydrophobicContact CG1-CD1 3.82Å; V242-I246 WeakPolarHBondContact O-CG1 3.39Å; V242-I246 PolarHBondContact O-N 3.07Å |
| 243 | A | 84.5 | Confident | 72.6 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -56.8 | -45.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F226 L229 V238 S239 K245 I246 L247 L268 | F226-A243 HydrophobicContact CD2-CB 3.89Å; F226-A243 HydrophobicContact CE2-CB 3.86Å; L229-A243 HydrophobicContact CD2-CB 3.78Å; V238-A243 HydrophobicContact CG1-CB 3.77Å; S239-A243 PolarHBondContact O-N 3.29Å; A243-K245 VanDerWaalsContact C-N 3.35Å; A243-K245 PolarHBondContact O-N 3.2Å; A243-I246 PolarHBondContact O-N 2.94Å; A243-L247 HydrophobicContact CB-CD1 4.38Å; A243-L247 WeakPolarHBondContact O-CB 3.41Å; A243-L247 WeakPolarHBondContact O-CD1 3.47Å; A243-L247 WeakPolarHBondContact O-CG 3.39Å; A243-L247 PolarHBondContact O-N 3.47Å; A243-L268 HydrophobicContact CB-CD1 3.87Å |
| 244 | A | 83.4 | Confident | 71.8 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.3 | -36.7 | 180 | 0 | 0 | 0 | 0 | 0 | 113.1 | L240 D241 V242 I248 F261 V265 L268 | L240-A244 WeakPolarHBondContact O-CB 3.49Å; L240-A244 PolarHBondContact O-N 2.95Å; D241-A244 PolarHBondContact O-N 2.8Å; V242-A244 VanDerWaalsContact C-N 3.34Å; V242-A244 PolarHBondContact O-N 2.96Å; A244-I248 VanDerWaalsContact O-CG1 3.3Å; A244-I248 WeakPolarHBondContact O-CG1 3.4Å; A244-I248 PolarHBondContact O-N 2.96Å; A244-I248 VanDerWaalsContact O-N 3.15Å; A244-F261 HydrophobicContact CB-CD2 3.85Å; A244-F261 HydrophobicContact CB-CE2 3.42Å; A244-F261 VanDerWaalsContact CB-CE2 3.42Å; A244-F261 HydrophobicContact CB-CZ 4.05Å; A244-V265 HydrophobicContact CB-CG2 3.47Å; A244-V265 VanDerWaalsContact CB-CG2 3.47Å; A244-L268 HydrophobicContact CB-CD1 3.96Å |
| 245 | K | 81 | Confident | 71.6 | Confident | 143 Ų | 143 | 68 Ų | 68 | 62% | 0.622 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -61.9 | -54.9 | 171.4 | -72.2 | 175.2 | 179.9 | -172.7 | 0 | 111.2 | D241 V242 A243 L247 I248 G249 F261 | D241-K245 WeakPolarHBondContact O-CG 3.41Å; D241-K245 PolarHBondContact O-N 2.88Å; V242-K245 PolarHBondContact O-N 3.36Å; A243-K245 VanDerWaalsContact C-N 3.35Å; A243-K245 PolarHBondContact O-N 3.2Å; K245-L247 PolarHBondContact O-N 3.01Å; K245-I248 PolarHBondContact O-N 2.82Å; K245-G249 PolarHBondContact O-N 3.4Å; K245-F261 HydrophobicContact CG-CE2 4.22Å |
| 246 | I | 79.4 | Confident | 71.4 | Confident | 81 Ų | 81 | 70.4 Ų | 70.4 | 42% | 0.415 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -58.8 | -34.3 | 179.8 | -64.5 | 167.7 | 0 | 0 | 0 | 111.5 | L229 V242 A243 | L229-I246 HydrophobicContact CD1-CD1 3.89Å; L229-I246 HydrophobicContact CD2-CD1 4.04Å; V242-I246 HydrophobicContact CG1-CD1 3.82Å; V242-I246 WeakPolarHBondContact O-CG1 3.39Å; V242-I246 PolarHBondContact O-N 3.07Å; A243-I246 PolarHBondContact O-N 2.94Å |
| 247 | L | 75.8 | Confident | 71.1 | Confident | 22 Ų | 22 | 68 Ų | 68 | 12% | 0.115 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -7.1 | 179 | -68.7 | 169 | 0 | 0 | 0 | 114.6 | M222 K225 F226 A243 K245 K264 L268 | M222-L247 HydrophobicContact CG-CD1 4.24Å; K225-L247 HydrophobicContact CB-CD2 3.24Å; K225-L247 HydrophobicContact CD-CD2 4.13Å; K225-L247 HydrophobicContact CG-CD2 4.31Å; F226-L247 HydrophobicContact CB-CD1 4.36Å; A243-L247 HydrophobicContact CB-CD1 4.38Å; A243-L247 WeakPolarHBondContact O-CB 3.41Å; A243-L247 WeakPolarHBondContact O-CD1 3.47Å; A243-L247 WeakPolarHBondContact O-CG 3.39Å; A243-L247 PolarHBondContact O-N 3.47Å; K245-L247 PolarHBondContact O-N 3.01Å; L247-K264 PolarHBondContact O-NZ 3.12Å; L247-L268 HydrophobicContact CD1-CD1 3.97Å; L247-L268 HydrophobicContact CD1-CD2 3.65Å; L247-L268 HydrophobicContact CD1-CG 4.31Å |
| 248 | I | 75.6 | Confident | 71.1 | Confident | 44 Ų | 44 | 72.7 Ų | 72.7 | 23% | 0.226 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -40.6 | 164.5 | -65.9 | 165.5 | 0 | 0 | 0 | 110.1 | A244 K245 F261 K264 | A244-I248 VanDerWaalsContact O-CG1 3.3Å; A244-I248 WeakPolarHBondContact O-CG1 3.4Å; A244-I248 PolarHBondContact O-N 2.96Å; A244-I248 VanDerWaalsContact O-N 3.15Å; K245-I248 PolarHBondContact O-N 2.82Å; I248-F261 HydrophobicContact CD1-CB 3.8Å; I248-F261 HydrophobicContact CD1-CD2 3.75Å; I248-F261 HydrophobicContact CD1-CG 4.28Å; I248-K264 HydrophobicContact CD1-CD 4.43Å; I248-K264 HydrophobicContact CG1-CD 3.63Å |
| 249 | G | 68.9 | Low | 70.9 | Confident | 36 Ų | 36 | 75.8 Ų | 75.8 | 37% | 0.371 | 41% | 0.408 | S | S | . | . | trans | 89.6 | 157.9 | -162 | 0 | 0 | 0 | 0 | 0 | 110.3 | K245 D251 | K245-G249 PolarHBondContact O-N 3.4Å; G249-D251 PolarHBondContact O-N 3.32Å | ||
| 250 | E | 57.1 | Low | 70.7 | Confident | 128 Ų | 128 | 78.8 Ų | 78.8 | 60% | 0.598 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -82 | 48 | -179.3 | -155.3 | 167.1 | 133 | 0 | 0 | 111.1 | K180 H252 | K180-E250 IonicContact NZ-OE1 2.73Å; K180-E250 PolarHBondContact NZ-OE1 3.33Å; K180-E250 IonicContact NZ-OE2 3.68Å; E250-H252 PolarHBondContact O-N 3.48Å; E250-H252 VanDerWaalsContact O-N 3.07Å |
| 251 | D | 51.1 | Low | 70.6 | Confident | 128 Ų | 128 | 81.6 Ų | 81.6 | 68% | 0.684 | 43% | 0.43 | S | S | * | . | trans | -82.3 | 79.7 | -178.8 | -165.5 | 12.3 | 0 | 0 | 0 | 109.9 | G249 V253 | G249-D251 PolarHBondContact O-N 3.32Å; D251-V253 VanDerWaalsContact C-N 3.34Å; D251-V253 PolarHBondContact O-N 3.34Å | ||
| 252 | H | 60.1 | Low | 70.7 | Confident | 166 Ų | 166 | 86.3 Ų | 86.3 | 77% | 0.769 | 45% | 0.447 | S | S | * | . | trans | -88.9 | 49.4 | -153 | -136 | -76.9 | 0 | 0 | 0 | 114.9 | E250 | E250-H252 PolarHBondContact O-N 3.48Å; E250-H252 VanDerWaalsContact O-N 3.07Å | ||
| 253 | V | 47.2 | Very low | 70.9 | Confident | 117 Ų | 117 | 87.9 Ų | 87.9 | 71% | 0.709 | 46% | 0.457 | S | S | * | . | trans | -125.8 | 111.6 | -179 | -171 | 0 | 0 | 0 | 0 | 113.6 | D251 | D251-V253 VanDerWaalsContact C-N 3.34Å; D251-V253 PolarHBondContact O-N 3.34Å | ||
| 254 | A | 53.1 | Low | 70.7 | Confident | 73 Ų | 73 | 90 Ų | 90 | 60% | 0.603 | 47% | 0.466 | S | S | * | . | S | Bend | trans | 67 | 156.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | Q256 | A254-Q256 PolarHBondContact O-N 2.89Š|
| 255 | D | 57.4 | Low | 70.9 | Confident | 109 Ų | 109 | 90.9 Ų | 90.9 | 58% | 0.583 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -10.3 | -170 | -71.2 | -88 | 0 | 0 | 0 | 117.4 | D257 K258 | D255-D257 PolarHBondContact O-N 2.83Å; D255-K258 HydrophobicContact CB-CD 4.44Å; D255-K258 PolarHBondContact O-N 3.25Å; D255-K258 VanDerWaalsContact O-N 3.15Å; D255-K258 WeakPolarHBondContact OD1-CE 3.38Å; D255-K258 IonicContact OD1-NZ 2.65Å; D255-K258 PolarHBondContact OD1-NZ 3.2Å |
| 256 | Q | 60.9 | Low | 71.1 | Confident | 137 Ų | 137 | 91.5 Ų | 91.5 | 64% | 0.64 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43.2 | -41 | 175.4 | -74.3 | -82.8 | -12 | 0 | 0 | 112.5 | A254 K258 S259 | A254-Q256 PolarHBondContact O-N 2.89Å; Q256-K258 PolarHBondContact O-N 2.97Å; Q256-S259 PolarHBondContact O-OG 2.88Å |
| 257 | D | 68.1 | Low | 71.5 | Confident | 38 Ų | 38 | 91.1 Ų | 91.1 | 20% | 0.203 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -80 | -11.7 | -169.5 | -84.7 | 48.2 | 0 | 0 | 0 | 114.5 | D255 S259 K260 F261 | D255-D257 PolarHBondContact O-N 2.83Å; D257-S259 PolarHBondContact O-N 3.19Å; D257-K260 PolarHBondContact O-N 3.49Å; D257-K260 VanDerWaalsContact O-N 3.12Å; D257-K260 WeakPolarHBondContact OD1-CD 3.44Å; D257-K260 VanDerWaalsContact OD1-CE 3.27Å; D257-K260 WeakPolarHBondContact OD1-CE 3.45Å; D257-K260 IonicContact OD1-NZ 3.68Å; D257-K260 PolarHBondContact OD1-NZ 3.47Å; D257-K260 IonicContact OD2-NZ 3.83Å; D257-F261 VanDerWaalsContact O-CB 3.32Å; D257-F261 WeakPolarHBondContact O-CB 3.48Å; D257-F261 PolarHBondContact O-N 3.29Å |
| 258 | K | 77.6 | Confident | 72 | Confident | 146 Ų | 146 | 90 Ų | 90 | 64% | 0.635 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -59.1 | -37 | 172.4 | -69.3 | 175.1 | 173.5 | 172.7 | 0 | 111.6 | D255 Q256 K262 | D255-K258 HydrophobicContact CB-CD 4.44Å; D255-K258 PolarHBondContact O-N 3.25Å; D255-K258 VanDerWaalsContact O-N 3.15Å; D255-K258 WeakPolarHBondContact OD1-CE 3.38Å; D255-K258 IonicContact OD1-NZ 2.65Å; D255-K258 PolarHBondContact OD1-NZ 3.2Å; Q256-K258 PolarHBondContact O-N 2.97Å; K258-K262 WeakPolarHBondContact O-CB 3.25Å; K258-K262 PolarHBondContact O-N 2.99Å; K258-K262 VanDerWaalsContact O-N 3.12Å |
| 259 | S | 76.9 | Confident | 72.7 | Confident | 71 Ų | 71 | 92.2 Ų | 92.2 | 50% | 0.497 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -68.7 | -41.6 | 175 | 70.4 | 0 | 0 | 0 | 0 | 112.5 | Q256 D257 T263 | Q256-S259 PolarHBondContact O-OG 2.88Å; D257-S259 PolarHBondContact O-N 3.19Å; S259-T263 WeakPolarHBondContact O-CB 3.44Å; S259-T263 PolarHBondContact O-N 3.49Å; S259-T263 VanDerWaalsContact O-N 3.08Å; S259-T263 PolarHBondContact O-OG1 3.02Å |
| 260 | K | 80.2 | Confident | 73.4 | Confident | 93 Ų | 93 | 91.5 Ų | 91.5 | 40% | 0.404 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -69.7 | -41.1 | -179.5 | -53.6 | 178.4 | -159.4 | 159.2 | 0 | 110.6 | D257 T263 K264 | D257-K260 PolarHBondContact O-N 3.49Å; D257-K260 VanDerWaalsContact O-N 3.12Å; D257-K260 WeakPolarHBondContact OD1-CD 3.44Å; D257-K260 VanDerWaalsContact OD1-CE 3.27Å; D257-K260 WeakPolarHBondContact OD1-CE 3.45Å; D257-K260 IonicContact OD1-NZ 3.68Å; D257-K260 PolarHBondContact OD1-NZ 3.47Å; D257-K260 IonicContact OD2-NZ 3.83Å; K260-T263 PolarHBondContact O-N 3.35Å; K260-K264 WeakPolarHBondContact O-CG 3.4Å; K260-K264 PolarHBondContact O-N 3.46Å |
| 261 | F | 83.3 | Confident | 74.7 | Confident | 61 Ų | 61 | 86 Ų | 86 | 27% | 0.268 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -59.2 | -54.7 | 172.5 | -179.1 | -91.8 | 0 | 0 | 0 | 111.5 | D241 A244 K245 I248 D257 T263 K264 V265 | D241-F261 HydrophobicContact CB-CZ 4.31Å; A244-F261 HydrophobicContact CB-CD2 3.85Å; A244-F261 HydrophobicContact CB-CE2 3.42Å; A244-F261 VanDerWaalsContact CB-CE2 3.42Å; A244-F261 HydrophobicContact CB-CZ 4.05Å; K245-F261 HydrophobicContact CG-CE2 4.22Å; I248-F261 HydrophobicContact CD1-CB 3.8Å; I248-F261 HydrophobicContact CD1-CD2 3.75Å; I248-F261 HydrophobicContact CD1-CG 4.28Å; D257-F261 VanDerWaalsContact O-CB 3.32Å; D257-F261 WeakPolarHBondContact O-CB 3.48Å; D257-F261 PolarHBondContact O-N 3.29Å; F261-T263 PolarHBondContact O-N 2.94Å; F261-K264 PolarHBondContact O-N 3.13Å; F261-K264 VanDerWaalsContact O-N 3.11Å; F261-V265 HydrophobicContact CD1-CG2 3.95Å; F261-V265 HydrophobicContact CD2-CG2 4.45Å; F261-V265 HydrophobicContact CE1-CG2 3.59Å; F261-V265 HydrophobicContact CE2-CG2 4.14Å; F261-V265 HydrophobicContact CG-CG2 4.36Å; F261-V265 HydrophobicContact CZ-CG2 3.69Å; F261-V265 WeakPolarHBondContact O-CB 3.3Å; F261-V265 WeakPolarHBondContact O-CG2 3.13Å; F261-V265 PolarHBondContact O-N 3.45Å |
| 262 | K | 83.3 | Confident | 76.4 | Confident | 166 Ų | 166 | 79.9 Ų | 79.9 | 72% | 0.722 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -54.4 | -38.4 | 176.4 | -174.3 | 175.5 | -179.2 | 177.6 | 0 | 112.3 | K258 R266 | K258-K262 WeakPolarHBondContact O-CB 3.25Å; K258-K262 PolarHBondContact O-N 2.99Å; K258-K262 VanDerWaalsContact O-N 3.12Å; K262-R266 PolarHBondContact O-N 3.14Å; K262-R266 VanDerWaalsContact O-N 3.14Å |
| 263 | T | 83.3 | Confident | 77.5 | Confident | 86 Ų | 86 | 75.2 Ų | 75.2 | 53% | 0.528 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -70 | -45.7 | 177.2 | -55.5 | 0 | 0 | 0 | 0 | 112.4 | S259 K260 F261 R266 R267 | S259-T263 WeakPolarHBondContact O-CB 3.44Å; S259-T263 PolarHBondContact O-N 3.49Å; S259-T263 VanDerWaalsContact O-N 3.08Å; S259-T263 PolarHBondContact O-OG1 3.02Å; K260-T263 PolarHBondContact O-N 3.35Å; F261-T263 PolarHBondContact O-N 2.94Å; T263-R266 PolarHBondContact O-N 3.1Å; T263-R267 PolarHBondContact O-N 3.24Å; T263-R267 VanDerWaalsContact O-N 3.12Å |
| 264 | K | 82.1 | Confident | 79.2 | Confident | 45 Ų | 45 | 69.9 Ų | 69.9 | 20% | 0.196 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.2 | -46.4 | 176.3 | -75.7 | -176.4 | 178.7 | 177.6 | 0 | 111.8 | M222 L247 I248 K260 F261 R266 R267 L268 | M222-K264 HydrophobicContact CE-CB 4.49Å; M222-K264 HydrophobicContact CE-CG 3.83Å; M222-K264 HydrophobicContact SD-CB 4.43Å; M222-K264 HydrophobicContact SD-CG 4.35Å; L247-K264 PolarHBondContact O-NZ 3.12Å; I248-K264 HydrophobicContact CD1-CD 4.43Å; I248-K264 HydrophobicContact CG1-CD 3.63Å; K260-K264 WeakPolarHBondContact O-CG 3.4Å; K260-K264 PolarHBondContact O-N 3.46Å; F261-K264 PolarHBondContact O-N 3.13Å; F261-K264 VanDerWaalsContact O-N 3.11Å; K264-R266 VanDerWaalsContact C-N 3.27Å; K264-R266 PolarHBondContact O-N 2.86Å; K264-R267 CarbonylContact O-C 3.53Å; K264-R267 WeakPolarHBondContact O-CA 3.13Å; K264-R267 PolarHBondContact O-N 3.32Å; K264-L268 WeakPolarHBondContact O-CG 3.4Å; K264-L268 PolarHBondContact O-N 2.91Å |
| 265 | V | 86.3 | Confident | 80.5 | Confident | 19 Ų | 19 | 66.9 Ų | 66.9 | 12% | 0.115 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -52.6 | -45.4 | 173.3 | 167.2 | 0 | 0 | 0 | 0 | 110.8 | A244 F261 R267 L268 Y269 | A244-V265 HydrophobicContact CB-CG2 3.47Å; A244-V265 VanDerWaalsContact CB-CG2 3.47Å; F261-V265 HydrophobicContact CD1-CG2 3.95Å; F261-V265 HydrophobicContact CD2-CG2 4.45Å; F261-V265 HydrophobicContact CE1-CG2 3.59Å; F261-V265 HydrophobicContact CE2-CG2 4.14Å; F261-V265 HydrophobicContact CG-CG2 4.36Å; F261-V265 HydrophobicContact CZ-CG2 3.69Å; F261-V265 WeakPolarHBondContact O-CB 3.3Å; F261-V265 WeakPolarHBondContact O-CG2 3.13Å; F261-V265 PolarHBondContact O-N 3.45Å; V265-R267 PolarHBondContact O-N 2.84Å; V265-L268 WeakPolarHBondContact O-CB 3.49Å; V265-L268 PolarHBondContact O-N 3.41Å; V265-L268 VanDerWaalsContact O-N 3.17Å; V265-Y269 HydrophobicContact CG1-CD2 3.95Å; V265-Y269 HydrophobicContact CG1-CE2 3.56Å; V265-Y269 WeakPolarHBondContact O-CD2 3.13Å; V265-Y269 PolarHBondContact O-N 3.05Å |
| 266 | R | 86.1 | Confident | 81.7 | Confident | 156 Ų | 156 | 68.1 Ų | 68.1 | 59% | 0.589 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -60.4 | -41.5 | 175.1 | -177.4 | 144.9 | -179.1 | 67 | -2.4 | 112.8 | K262 T263 K264 L268 Y269 D270 | K262-R266 PolarHBondContact O-N 3.14Å; K262-R266 VanDerWaalsContact O-N 3.14Å; T263-R266 PolarHBondContact O-N 3.1Å; K264-R266 VanDerWaalsContact C-N 3.27Å; K264-R266 PolarHBondContact O-N 2.86Å; R266-L268 VanDerWaalsContact C-N 3.34Å; R266-Y269 PolarHBondContact O-N 3.43Å; R266-D270 VanDerWaalsContact O-CG 3.3Å; R266-D270 PolarHBondContact O-N 3.06Å; R266-D270 VanDerWaalsContact O-N 3.08Å |
| 267 | R | 88.1 | Confident | 82.5 | Confident | 72 Ų | 72 | 62 Ų | 62 | 27% | 0.272 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -69.5 | -28.4 | 175.3 | -62.5 | -42.5 | -178.7 | -171.1 | 2.2 | 113.6 | F113 L219 M222 T263 K264 V265 D270 I271 | F113-R267 VanDerWaalsContact CE1-NH1 3.32Å; F113-R267 VanDerWaalsContact CZ-NH1 3.31Å; L219-R267 HydrophobicContact CD1-CB 3.83Å; L219-R267 HydrophobicContact CD1-CG 4.12Å; M222-R267 HydrophobicContact CE-CB 4.24Å; M222-R267 HydrophobicContact SD-CB 3.62Å; T263-R267 PolarHBondContact O-N 3.24Å; T263-R267 VanDerWaalsContact O-N 3.12Å; K264-R267 CarbonylContact O-C 3.53Å; K264-R267 WeakPolarHBondContact O-CA 3.13Å; K264-R267 PolarHBondContact O-N 3.32Å; V265-R267 PolarHBondContact O-N 2.84Å; R267-D270 WeakPolarHBondContact CD-OD2 3.18Å; R267-D270 IonicContact CZ-OD2 2.82Å; R267-D270 IonicContact NE-OD2 2.76Å; R267-D270 IonicContact NH1-OD2 3.3Å; R267-D270 PolarHBondContact NH1-OD2 3.32Å; R267-D270 WeakPolarHBondContact O-CB 3.38Å; R267-D270 PolarHBondContact O-N 2.71Å; R267-I271 WeakPolarHBondContact O-CD1 3.23Å; R267-I271 VanDerWaalsContact O-CG1 3.24Å; R267-I271 WeakPolarHBondContact O-CG1 3.29Å; R267-I271 PolarHBondContact O-N 3.47Å |
| 268 | L | 86.6 | Confident | 82.6 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -69.3 | -37.3 | 171.4 | -67.6 | 179.7 | 0 | 0 | 0 | 112.3 | M222 F226 L240 A243 A244 L247 K264 V265 R266 I271 A272 | M222-L268 HydrophobicContact CG-CD2 4.26Å; M222-L268 HydrophobicContact SD-CD2 4.42Å; F226-L268 HydrophobicContact CB-CD2 4.04Å; F226-L268 HydrophobicContact CD1-CD2 4.2Å; F226-L268 HydrophobicContact CD2-CD2 3.66Å; F226-L268 HydrophobicContact CE2-CD2 4.08Å; F226-L268 HydrophobicContact CG-CD2 3.72Å; L240-L268 HydrophobicContact CD1-CB 4.43Å; L240-L268 HydrophobicContact CD2-CB 4.23Å; A243-L268 HydrophobicContact CB-CD1 3.87Å; A244-L268 HydrophobicContact CB-CD1 3.96Å; L247-L268 HydrophobicContact CD1-CD1 3.97Å; L247-L268 HydrophobicContact CD1-CD2 3.65Å; L247-L268 HydrophobicContact CD1-CG 4.31Å; K264-L268 WeakPolarHBondContact O-CG 3.4Å; K264-L268 PolarHBondContact O-N 2.91Å; V265-L268 WeakPolarHBondContact O-CB 3.49Å; V265-L268 PolarHBondContact O-N 3.41Å; V265-L268 VanDerWaalsContact O-N 3.17Å; R266-L268 VanDerWaalsContact C-N 3.34Å; L268-I271 HydrophobicContact CD2-CD1 4.42Å; L268-I271 PolarHBondContact O-N 2.91Å; L268-A272 WeakPolarHBondContact O-CB 3.17Å; L268-A272 PolarHBondContact O-N 2.73Å |
| 269 | Y | 88.5 | Confident | 82.5 | Confident | 89 Ų | 89 | 63 Ų | 63 | 35% | 0.349 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 167.9 | -76.3 | -72.8 | 0 | 0 | 0 | 111.6 | L240 V265 R266 A272 N273 | L240-Y269 HydrophobicContact CD1-CD1 3.48Å; L240-Y269 VanDerWaalsContact CD1-CD1 3.48Å; L240-Y269 HydrophobicContact CD1-CD2 3.98Å; L240-Y269 HydrophobicContact CD1-CE1 3.46Å; L240-Y269 VanDerWaalsContact CD1-CE1 3.46Å; L240-Y269 HydrophobicContact CD1-CE2 3.95Å; L240-Y269 HydrophobicContact CD1-CG 3.74Å; V265-Y269 HydrophobicContact CG1-CD2 3.95Å; V265-Y269 HydrophobicContact CG1-CE2 3.56Å; V265-Y269 WeakPolarHBondContact O-CD2 3.13Å; V265-Y269 PolarHBondContact O-N 3.05Å; R266-Y269 PolarHBondContact O-N 3.43Å; Y269-A272 PolarHBondContact O-N 3.01Å; Y269-N273 WeakPolarHBondContact O-CB 3.13Å; Y269-N273 VanDerWaalsContact O-CG 3.25Å; Y269-N273 PolarHBondContact O-N 2.83Å; Y269-N273 PolarHBondContact O-ND2 3.36Å |
| 270 | D | 85.2 | Confident | 82.4 | Confident | 21 Ų | 21 | 61 Ų | 61 | 11% | 0.112 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.8 | -48.8 | 176.9 | -58.7 | -27.1 | 0 | 0 | 0 | 111.1 | L77 R266 R267 V274 | L77-D270 HydrophobicContact CD2-CB 4.18Å; R266-D270 VanDerWaalsContact O-CG 3.3Å; R266-D270 PolarHBondContact O-N 3.06Å; R266-D270 VanDerWaalsContact O-N 3.08Å; R267-D270 WeakPolarHBondContact CD-OD2 3.18Å; R267-D270 IonicContact CZ-OD2 2.82Å; R267-D270 IonicContact NE-OD2 2.76Å; R267-D270 IonicContact NH1-OD2 3.3Å; R267-D270 PolarHBondContact NH1-OD2 3.32Å; R267-D270 WeakPolarHBondContact O-CB 3.38Å; R267-D270 PolarHBondContact O-N 2.71Å; D270-V274 PolarHBondContact O-N 3.43Å |
| 271 | I | 84.1 | Confident | 82.4 | Confident | 12 Ų | 12 | 56.7 Ų | 56.7 | 6% | 0.062 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.9 | -45.1 | 179.1 | -65.2 | 158.7 | 0 | 0 | 0 | 111.7 | L219 M222 F226 R267 L268 N273 V274 L275 | L219-I271 HydrophobicContact CD1-CD1 3.82Å; L219-I271 HydrophobicContact CD1-CG1 4.2Å; M222-I271 HydrophobicContact CG-CD1 4.38Å; M222-I271 HydrophobicContact SD-CD1 4.47Å; F226-I271 HydrophobicContact CD1-CB 4.4Å; F226-I271 HydrophobicContact CD1-CG2 3.67Å; F226-I271 HydrophobicContact CE1-CG2 4.1Å; R267-I271 WeakPolarHBondContact O-CD1 3.23Å; R267-I271 VanDerWaalsContact O-CG1 3.24Å; R267-I271 WeakPolarHBondContact O-CG1 3.29Å; R267-I271 PolarHBondContact O-N 3.47Å; L268-I271 HydrophobicContact CD2-CD1 4.42Å; L268-I271 PolarHBondContact O-N 2.91Å; I271-N273 VanDerWaalsContact C-N 3.3Å; I271-N273 PolarHBondContact O-N 2.88Å; I271-V274 PolarHBondContact O-N 3.06Å; I271-V274 VanDerWaalsContact O-N 3.13Å; I271-L275 HydrophobicContact CG2-CD1 3.88Å; I271-L275 HydrophobicContact CG2-CG 4.24Å; I271-L275 PolarHBondContact O-N 3.31Å |
| 272 | A | 85.3 | Confident | 82.3 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.5 | -34 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F226 L268 Y269 R276 I281 F296 | F226-A272 HydrophobicContact CE1-CB 4.15Å; F226-A272 HydrophobicContact CZ-CB 4.3Å; L268-A272 WeakPolarHBondContact O-CB 3.17Å; L268-A272 PolarHBondContact O-N 2.73Å; Y269-A272 PolarHBondContact O-N 3.01Å; A272-R276 VanDerWaalsContact O-CB 3.24Å; A272-R276 WeakPolarHBondContact O-CB 3.21Å; A272-R276 PolarHBondContact O-N 2.94Å; A272-I281 HydrophobicContact CB-CD1 4.02Å; A272-F296 HydrophobicContact CB-CD1 4.22Å; A272-F296 HydrophobicContact CB-CD2 4.38Å; A272-F296 HydrophobicContact CB-CE1 3.85Å; A272-F296 HydrophobicContact CB-CE2 4.06Å; A272-F296 HydrophobicContact CB-CG 4.47Å; A272-F296 HydrophobicContact CB-CZ 3.77Å |
| 273 | N | 85 | Confident | 82.3 | Confident | 69 Ų | 69 | 54 Ų | 54 | 37% | 0.369 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.6 | -35.3 | 173.4 | -73.7 | -39.9 | 0 | 0 | 0 | 112.6 | Y269 I271 S277 | Y269-N273 WeakPolarHBondContact O-CB 3.13Å; Y269-N273 VanDerWaalsContact O-CG 3.25Å; Y269-N273 PolarHBondContact O-N 2.83Å; Y269-N273 PolarHBondContact O-ND2 3.36Å; I271-N273 VanDerWaalsContact C-N 3.3Å; I271-N273 PolarHBondContact O-N 2.88Å; N273-S277 WeakPolarHBondContact O-CB 3.48Å; N273-S277 PolarHBondContact O-N 3.06Å; N273-S277 VanDerWaalsContact O-N 3.12Å; N273-S277 PolarHBondContact O-OG 3.07Å |
| 274 | V | 81.9 | Confident | 81.9 | Confident | 5 Ų | 5 | 55.2 Ų | 55.2 | 3% | 0.03 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69.2 | -49.8 | 173.3 | 174.2 | 0 | 0 | 0 | 0 | 110.5 | L77 D270 I271 R276 S277 L278 | L77-V274 HydrophobicContact CD1-CG2 4.18Å; L77-V274 HydrophobicContact CD2-CG2 3.86Å; L77-V274 HydrophobicContact CG-CG2 3.9Å; D270-V274 PolarHBondContact O-N 3.43Å; I271-V274 PolarHBondContact O-N 3.06Å; I271-V274 VanDerWaalsContact O-N 3.13Å; V274-R276 VanDerWaalsContact C-N 3.28Å; V274-R276 PolarHBondContact O-N 3.03Å; V274-S277 WeakPolarHBondContact O-CA 3.47Å; V274-S277 WeakPolarHBondContact O-CB 3.34Å; V274-S277 PolarHBondContact O-N 3.36Å; V274-L278 HydrophobicContact CG1-CD1 4Å; V274-L278 WeakPolarHBondContact O-CG 3.31Å; V274-L278 PolarHBondContact O-N 3.31Å |
| 275 | L | 80.3 | Confident | 81.4 | Confident | 9 Ų | 9 | 58.7 Ų | 58.7 | 5% | 0.047 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.6 | -34.6 | 178 | -68.6 | 174.6 | 0 | 0 | 0 | 112.9 | F226 V227 I271 L278 K279 L280 I281 | F226-L275 HydrophobicContact CD1-CD1 4.03Å; F226-L275 HydrophobicContact CE1-CD1 4.03Å; V227-L275 HydrophobicContact CG2-CD1 3.99Å; V227-L275 HydrophobicContact CG2-CD2 4.24Å; I271-L275 HydrophobicContact CG2-CD1 3.88Å; I271-L275 HydrophobicContact CG2-CG 4.24Å; I271-L275 PolarHBondContact O-N 3.31Å; L275-L278 HydrophobicContact CD2-CD1 4.49Å; L275-L278 CarbonylContact O-C 3.57Å; L275-L278 PolarHBondContact O-N 3.09Å; L275-K279 PolarHBondContact O-N 3.5Å; L275-L280 HydrophobicContact CD2-CD1 3.99Å; L275-L280 PolarHBondContact O-N 3.18Å; L275-L280 VanDerWaalsContact O-N 3.12Å; L275-I281 HydrophobicContact CB-CD1 3.62Å; L275-I281 HydrophobicContact CB-CG1 3.76Å; L275-I281 HydrophobicContact CB-CG2 4.41Å; L275-I281 HydrophobicContact CD1-CD1 4.17Å |
| 276 | R | 83.8 | Confident | 80.5 | Confident | 135 Ų | 135 | 60.1 Ų | 60.1 | 51% | 0.509 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -70.1 | -32.5 | 172.8 | -177.1 | 175.5 | -178.9 | -83.7 | -5.3 | 112.7 | A272 V274 L278 K279 I281 | A272-R276 VanDerWaalsContact O-CB 3.24Å; A272-R276 WeakPolarHBondContact O-CB 3.21Å; A272-R276 PolarHBondContact O-N 2.94Å; V274-R276 VanDerWaalsContact C-N 3.28Å; V274-R276 PolarHBondContact O-N 3.03Å; R276-L278 VanDerWaalsContact C-N 3.34Å; R276-K279 PolarHBondContact O-N 3.17Å; R276-K279 VanDerWaalsContact O-N 3.17Å; R276-I281 WeakPolarHBondContact CA-O 3.37Å; R276-I281 HydrophobicContact CB-CG1 4.25Å |
| 277 | S | 75.7 | Confident | 78.8 | Confident | 9 Ų | 9 | 58.9 Ų | 58.9 | 6% | 0.063 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -72.9 | -30.4 | 175.1 | -55.7 | 0 | 0 | 0 | 0 | 111.8 | G78 H82 N273 V274 K279 | G78-S277 WeakPolarHBondContact CA-OG 3.32Å; H82-S277 WeakPolarHBondContact CE1-CB 3.48Å; H82-S277 PolarHBondContact CE1-OG 3.05Å; H82-S277 VanDerWaalsContact CE1-OG 3.31Å; N273-S277 WeakPolarHBondContact O-CB 3.48Å; N273-S277 PolarHBondContact O-N 3.06Å; N273-S277 VanDerWaalsContact O-N 3.12Å; N273-S277 PolarHBondContact O-OG 3.07Å; V274-S277 WeakPolarHBondContact O-CA 3.47Å; V274-S277 WeakPolarHBondContact O-CB 3.34Å; V274-S277 PolarHBondContact O-N 3.36Å; S277-K279 PolarHBondContact O-N 3.02Å |
| 278 | L | 72.1 | Confident | 77.3 | Confident | 51 Ų | 51 | 60.5 Ų | 60.5 | 27% | 0.267 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | 6.5 | 167.9 | -65.9 | 164.5 | 0 | 0 | 0 | 113.4 | L85 V274 L275 R276 L280 | L85-L278 HydrophobicContact CD1-CD2 3.91Å; L85-L278 HydrophobicContact CD2-CD2 3.83Å; L85-L278 HydrophobicContact CG-CD2 4.45Å; V274-L278 HydrophobicContact CG1-CD1 4Å; V274-L278 WeakPolarHBondContact O-CG 3.31Å; V274-L278 PolarHBondContact O-N 3.31Å; L275-L278 HydrophobicContact CD2-CD1 4.49Å; L275-L278 CarbonylContact O-C 3.57Å; L275-L278 PolarHBondContact O-N 3.09Å; R276-L278 VanDerWaalsContact C-N 3.34Å; L278-L280 HydrophobicContact CB-CD1 4.13Å; L278-L280 HydrophobicContact CB-CG 4.1Å; L278-L280 HydrophobicContact CD1-CD1 4.43Å; L278-L280 PolarHBondContact O-N 2.93Å |
| 279 | K | 74.9 | Confident | 75.5 | Confident | 153 Ų | 153 | 66.1 Ų | 66.1 | 67% | 0.665 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | -3.2 | -174.6 | -60.3 | 177.2 | -177.8 | 170.5 | 0 | 116.8 | L275 R276 S277 I281 | L275-K279 PolarHBondContact O-N 3.5Å; R276-K279 PolarHBondContact O-N 3.17Å; R276-K279 VanDerWaalsContact O-N 3.17Å; S277-K279 PolarHBondContact O-N 3.02Å; K279-I281 VanDerWaalsContact C-N 3.28Å; K279-I281 PolarHBondContact O-N 3.36Å |
| 280 | L | 73.6 | Confident | 73.8 | Confident | 29 Ų | 29 | 65.2 Ų | 65.2 | 15% | 0.152 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -62.5 | -28.1 | -177.3 | -64.1 | 174.1 | 0 | 0 | 0 | 114.4 | L275 L278 W298 I299 G300 | L275-L280 HydrophobicContact CD2-CD1 3.99Å; L275-L280 PolarHBondContact O-N 3.18Å; L275-L280 VanDerWaalsContact O-N 3.12Å; L278-L280 HydrophobicContact CB-CD1 4.13Å; L278-L280 HydrophobicContact CB-CG 4.1Å; L278-L280 HydrophobicContact CD1-CD1 4.43Å; L278-L280 PolarHBondContact O-N 2.93Å; L280-W298 HydrophobicContact CB-CH2 4.22Å; L280-W298 HydrophobicContact CB-CZ3 4.25Å; L280-W298 HydrophobicContact CD1-CH2 4.39Å; L280-I299 PolarHBondContact O-N 2.96Å; L280-G300 PolarHBondContact O-N 2.89Å |
| 281 | I | 80.6 | Confident | 72.4 | Confident | 3 Ų | 3 | 66 Ų | 66 | 2% | 0.015 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 140.6 | 177.1 | 71.4 | -179.5 | 0 | 0 | 0 | 112.6 | F230 A272 L275 R276 K279 F296 K297 W298 | F230-I281 HydrophobicContact CE1-CG2 4.28Å; F230-I281 HydrophobicContact CZ-CD1 4.25Å; F230-I281 HydrophobicContact CZ-CG2 4.27Å; A272-I281 HydrophobicContact CB-CD1 4.02Å; L275-I281 HydrophobicContact CB-CD1 3.62Å; L275-I281 HydrophobicContact CB-CG1 3.76Å; L275-I281 HydrophobicContact CB-CG2 4.41Å; L275-I281 HydrophobicContact CD1-CD1 4.17Å; R276-I281 WeakPolarHBondContact CA-O 3.37Å; R276-I281 HydrophobicContact CB-CG1 4.25Å; K279-I281 VanDerWaalsContact C-N 3.28Å; K279-I281 PolarHBondContact O-N 3.36Å; I281-F296 HydrophobicContact CD1-CB 3.99Å; I281-F296 HydrophobicContact CD1-CD1 3.63Å; I281-F296 HydrophobicContact CD1-CE1 4.43Å; I281-F296 HydrophobicContact CD1-CG 3.97Å; I281-F296 HydrophobicContact CG1-CD1 4.04Å; I281-K297 CarbonylContact C-O 3.54Å; I281-K297 VanDerWaalsContact CA-O 3.24Å; I281-K297 WeakPolarHBondContact CA-O 3.45Å; I281-K297 WeakPolarHBondContact CB-O 3.2Å; I281-W298 HydrophobicContact CG2-CE3 3.59Å; I281-W298 HydrophobicContact CG2-CZ3 4.02Å |
| 282 | E | 80.8 | Confident | 71 | Confident | 94 Ų | 94 | 76.1 Ų | 76.1 | 44% | 0.439 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 160 | 168.3 | -133.1 | -159.5 | 139.5 | 0 | 0 | 111.9 | F296 K297 I299 | E282-F296 CarbonylContact O-C 3.57Å; E282-F296 WeakPolarHBondContact O-CA 3.19Å; E282-F296 WeakPolarHBondContact O-CB 3.4Å; E282-F296 VanDerWaalsContact O-CD1 3.32Å; E282-F296 WeakPolarHBondContact O-CD1 3.15Å; E282-K297 PolarHBondContact N-O 3.35Å; E282-K297 PolarHBondContact O-N 2.89Å; E282-I299 HydrophobicContact CB-CD1 3.65Å; E282-I299 HydrophobicContact CB-CG1 4.14Å; E282-I299 HydrophobicContact CG-CD1 3.8Å |
| 283 | K | 83.3 | Confident | 70.2 | Confident | 78 Ų | 78 | 79.8 Ų | 79.8 | 34% | 0.339 | 42% | 0.418 | S | S | . | . | trans | -101.9 | 90.4 | 170.7 | -174.8 | -143.2 | 174.7 | -175.3 | 0 | 109.8 | H285 F296 | K283-H285 PolarHBondContact NZ-NE2 3.04Å; K283-H285 VanDerWaalsContact NZ-NE2 3.12Å; K283-F296 HydrophobicContact CB-CD1 4.17Å; K283-F296 HydrophobicContact CB-CE1 3.85Å; K283-F296 HydrophobicContact CG-CD1 4.47Å; K283-F296 HydrophobicContact CG-CE1 3.91Å; K283-F296 HydrophobicContact CG-CZ 4.11Å | ||
| 284 | F | 75.6 | Confident | 69.6 | Low | 111 Ų | 111 | 78.3 Ų | 78.3 | 49% | 0.487 | 41% | 0.413 | S | S | . | . | trans | -91.9 | 143.9 | 176.9 | -172 | -98.8 | 0 | 0 | 0 | 111.3 | V286 A295 | F284-V286 HydrophobicContact CD1-CG2 4.1Å; F284-V286 HydrophobicContact CE1-CG2 4.46Å; F284-A295 PolarHBondContact N-O 3.22Å; F284-A295 CarbonylContact O-C 3.3Å; F284-A295 VanDerWaalsContact O-C 3.3Å; F284-A295 WeakPolarHBondContact O-CA 3.28Å; F284-A295 PolarHBondContact O-N 2.82Å | ||
| 285 | H | 71 | Confident | 69.5 | Low | 117 Ų | 117 | 78 Ų | 78 | 54% | 0.542 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 110.6 | 174.8 | -65 | 93.9 | 0 | 0 | 0 | 110.3 | K283 T287 K293 | K283-H285 PolarHBondContact NZ-NE2 3.04Å; K283-H285 VanDerWaalsContact NZ-NE2 3.12Å; H285-T287 PolarHBondContact O-N 2.76Å; H285-K293 WeakPolarHBondContact CA-O 3.49Å |
| 286 | V | 68.1 | Low | 69.7 | Low | 49 Ų | 49 | 77.9 Ų | 77.9 | 30% | 0.297 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 122 | 176.8 | 165.9 | 0 | 0 | 0 | 0 | 109.6 | V237 F284 E288 K293 A295 | V237-V286 HydrophobicContact CG1-CG2 3.71Å; F284-V286 HydrophobicContact CD1-CG2 4.1Å; F284-V286 HydrophobicContact CE1-CG2 4.46Å; V286-E288 VanDerWaalsContact C-N 3.3Å; V286-E288 HydrophobicContact CG1-CB 4.41Å; V286-E288 PolarHBondContact O-N 3.21Å; V286-E288 VanDerWaalsContact O-N 3.09Å; V286-K293 PolarHBondContact N-O 3.42Å; V286-K293 PolarHBondContact O-N 3.41Å; V286-A295 HydrophobicContact CB-CB 4.09Å; V286-A295 HydrophobicContact CG2-CB 3.47Å; V286-A295 VanDerWaalsContact CG2-CB 3.47Å |
| 287 | T | 51.4 | Low | 69.7 | Low | 131 Ų | 131 | 76.3 Ų | 76.3 | 80% | 0.804 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 78.3 | 170.6 | -53.5 | 0 | 0 | 0 | 0 | 109.6 | H285 | H285-T287 PolarHBondContact O-N 2.76Å |
| 288 | E | 55.4 | Low | 70 | Confident | 106 Ų | 106 | 77.7 Ų | 77.7 | 50% | 0.495 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 150.9 | 162.5 | -168.9 | 178.9 | -150.6 | 0 | 0 | 108.9 | V286 G290 G291 K293 | V286-E288 VanDerWaalsContact C-N 3.3Å; V286-E288 HydrophobicContact CG1-CB 4.41Å; V286-E288 PolarHBondContact O-N 3.21Å; V286-E288 VanDerWaalsContact O-N 3.09Å; E288-G290 PolarHBondContact O-N 3.28Å; E288-G291 PolarHBondContact O-N 2.92Å; E288-K293 WeakPolarHBondContact OE2-CE 3.35Å; E288-K293 IonicContact OE2-NZ 2.99Å; E288-K293 PolarHBondContact OE2-NZ 3.23Å |
| 289 | A | 47.9 | Very low | 70.1 | Confident | 117 Ų | 117 | 79.4 Ų | 79.4 | 97% | 0.967 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 4.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 290 | G | 53.6 | Low | 69.5 | Low | 70 Ų | 70 | 72.2 Ų | 72.2 | 72% | 0.722 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.3 | 10.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | E288 | E288-G290 PolarHBondContact O-N 3.28Š|
| 291 | G | 55 | Low | 68.3 | Low | 39 Ų | 39 | 72.3 Ų | 72.3 | 40% | 0.402 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 128.5 | 171.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | E288 K293 | E288-G291 PolarHBondContact O-N 2.92Å; G291-K293 PolarHBondContact O-N 2.91Å |
| 292 | R | 55.4 | Low | 66.4 | Low | 224 Ų | 224 | 76.5 Ų | 76.5 | 85% | 0.845 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 84.6 | -175.2 | -64.1 | -179.1 | -178.7 | 175.5 | 0.3 | 112.4 | ||
| 293 | K | 69.6 | Low | 64.2 | Low | 76 Ų | 76 | 80.4 Ų | 80.4 | 33% | 0.33 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 137.8 | 177.7 | -66.8 | 178 | -174.6 | 174.3 | 0 | 111.3 | H285 V286 E288 G291 A295 | H285-K293 WeakPolarHBondContact CA-O 3.49Å; V286-K293 PolarHBondContact N-O 3.42Å; V286-K293 PolarHBondContact O-N 3.41Å; E288-K293 WeakPolarHBondContact OE2-CE 3.35Å; E288-K293 IonicContact OE2-NZ 2.99Å; E288-K293 PolarHBondContact OE2-NZ 3.23Å; G291-K293 PolarHBondContact O-N 2.91Å; K293-A295 PolarHBondContact O-N 3.41Å |
| 294 | P | 71.1 | Confident | 61.7 | Low | 38 Ų | 38 | 83.7 Ų | 83.7 | 25% | 0.247 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 113 | 170 | 30.4 | -32.3 | 0 | 0 | 0 | 109.5 | ||
| 295 | A | 81 | Confident | 59.7 | Low | 0 Ų | 0 | 83.4 Ų | 83.4 | 0% | 0 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 177.4 | 165 | 0 | 0 | 0 | 0 | 0 | 109.3 | V237 F284 V286 K293 | V237-A295 HydrophobicContact CG1-CB 3.88Å; F284-A295 PolarHBondContact N-O 3.22Å; F284-A295 CarbonylContact O-C 3.3Å; F284-A295 VanDerWaalsContact O-C 3.3Å; F284-A295 WeakPolarHBondContact O-CA 3.28Å; F284-A295 PolarHBondContact O-N 2.82Å; V286-A295 HydrophobicContact CB-CB 4.09Å; V286-A295 HydrophobicContact CG2-CB 3.47Å; V286-A295 VanDerWaalsContact CG2-CB 3.47Å; K293-A295 PolarHBondContact O-N 3.41Å |
| 296 | F | 84.3 | Confident | 57.7 | Low | 6 Ų | 6 | 83.3 Ų | 83.3 | 3% | 0.026 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 139.9 | 172.6 | -65 | -93.9 | 0 | 0 | 0 | 109.1 | F230 V237 V238 L240 A272 I281 E282 K283 | F230-F296 HydrophobicContact CE1-CB 3.83Å; F230-F296 HydrophobicContact CZ-CB 3.83Å; V237-F296 CarbonylContact C-O 3.53Å; V237-F296 VanDerWaalsContact CA-O 3.28Å; V237-F296 WeakPolarHBondContact CA-O 3.4Å; V238-F296 PolarHBondContact N-O 3.14Å; V238-F296 PolarHBondContact O-N 2.95Å; L240-F296 HydrophobicContact CD1-CE2 3.83Å; L240-F296 HydrophobicContact CD2-CD2 3.67Å; L240-F296 HydrophobicContact CD2-CE2 3.7Å; L240-F296 HydrophobicContact CG-CD2 4.1Å; L240-F296 HydrophobicContact CG-CE2 3.75Å; A272-F296 HydrophobicContact CB-CD1 4.22Å; A272-F296 HydrophobicContact CB-CD2 4.38Å; A272-F296 HydrophobicContact CB-CE1 3.85Å; A272-F296 HydrophobicContact CB-CE2 4.06Å; A272-F296 HydrophobicContact CB-CG 4.47Å; A272-F296 HydrophobicContact CB-CZ 3.77Å; I281-F296 HydrophobicContact CD1-CB 3.99Å; I281-F296 HydrophobicContact CD1-CD1 3.63Å; I281-F296 HydrophobicContact CD1-CE1 4.43Å; I281-F296 HydrophobicContact CD1-CG 3.97Å; I281-F296 HydrophobicContact CG1-CD1 4.04Å; E282-F296 CarbonylContact O-C 3.57Å; E282-F296 WeakPolarHBondContact O-CA 3.19Å; E282-F296 WeakPolarHBondContact O-CB 3.4Å; E282-F296 VanDerWaalsContact O-CD1 3.32Å; E282-F296 WeakPolarHBondContact O-CD1 3.15Å; K283-F296 HydrophobicContact CB-CD1 4.17Å; K283-F296 HydrophobicContact CB-CE1 3.85Å; K283-F296 HydrophobicContact CG-CD1 4.47Å; K283-F296 HydrophobicContact CG-CE1 3.91Å; K283-F296 HydrophobicContact CG-CZ 4.11Å |
| 297 | K | 83 | Confident | 56 | Low | 101 Ų | 101 | 87.8 Ų | 87.8 | 44% | 0.439 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 134.9 | 173.5 | -174.4 | -165.3 | 169.2 | -167.7 | 0 | 107.9 | H236 V237 I281 E282 I299 | H236-K297 WeakPolarHBondContact O-CA 3.32Å; V237-K297 HydrophobicContact CG2-CB 4.2Å; V237-K297 HydrophobicContact CG2-CG 4.03Å; I281-K297 CarbonylContact C-O 3.54Å; I281-K297 VanDerWaalsContact CA-O 3.24Å; I281-K297 WeakPolarHBondContact CA-O 3.45Å; I281-K297 WeakPolarHBondContact CB-O 3.2Å; E282-K297 PolarHBondContact N-O 3.35Å; E282-K297 PolarHBondContact O-N 2.89Å; K297-I299 PolarHBondContact O-N 2.71Å |
| 298 | W | 83 | Confident | 55.1 | Low | 38 Ų | 38 | 89.5 Ų | 89.5 | 14% | 0.144 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 124.5 | 166.1 | -168.6 | -103.3 | 0 | 0 | 0 | 109.7 | V227 F230 L231 H236 L280 I281 G300 | V227-W298 HydrophobicContact CG1-CH2 4.21Å; V227-W298 HydrophobicContact CG1-CZ3 4.25Å; F230-W298 HydrophobicContact CB-CB 4.16Å; F230-W298 HydrophobicContact CB-CD2 4.17Å; F230-W298 HydrophobicContact CB-CE3 3.75Å; F230-W298 HydrophobicContact CB-CG 4.36Å; F230-W298 HydrophobicContact CD1-CB 4.13Å; F230-W298 HydrophobicContact CD1-CE3 4.48Å; F230-W298 HydrophobicContact CD2-CE3 4.36Å; F230-W298 HydrophobicContact CG-CB 4.49Å; F230-W298 AromaticContact CG-CE3 3.97Å; F230-W298 HydrophobicContact CG-CE3 3.97Å; L231-W298 HydrophobicContact CD2-CZ2 4.18Å; H236-W298 HydrophobicContact CB-CB 3.87Å; H236-W298 PolarHBondContact O-N 2.86Å; L280-W298 HydrophobicContact CB-CH2 4.22Å; L280-W298 HydrophobicContact CB-CZ3 4.25Å; L280-W298 HydrophobicContact CD1-CH2 4.39Å; I281-W298 HydrophobicContact CG2-CE3 3.59Å; I281-W298 HydrophobicContact CG2-CZ3 4.02Å; W298-G300 VanDerWaalsContact NE1-CA 3.34Å |
| 299 | I | 73.1 | Confident | 53.7 | Low | 87 Ų | 87 | 91.5 Ų | 91.5 | 45% | 0.446 | 52% | 0.515 | S | S | . | . | trans | -95.8 | -39.6 | 166.3 | -68.5 | 177.9 | 0 | 0 | 0 | 108.9 | L280 E282 K297 | L280-I299 PolarHBondContact O-N 2.96Å; E282-I299 HydrophobicContact CB-CD1 3.65Å; E282-I299 HydrophobicContact CB-CG1 4.14Å; E282-I299 HydrophobicContact CG-CD1 3.8Å; K297-I299 PolarHBondContact O-N 2.71Å | ||
| 300 | G | 63.3 | Low | 53 | Low | 3 Ų | 3 | 94.6 Ų | 94.6 | 3% | 0.031 | 51% | 0.514 | C | S | . | . | trans | 79.7 | -171.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L280 W298 | L280-G300 PolarHBondContact O-N 2.89Å; W298-G300 VanDerWaalsContact NE1-CA 3.34Å | ||
| 301 | P | 48.7 | Very low | 51.8 | Low | 30 Ų | 30 | 95.6 Ų | 95.6 | 20% | 0.195 | 51% | 0.51 | C | S | . | . | S | Bend | trans | -59.1 | 148.4 | 165 | -19.4 | 34.1 | 0 | 0 | 0 | 110.2 | E303 | P301-E303 PolarHBondContact O-N 3.29Š|
| 302 | V | 39.4 | Very low | 50.5 | Low | 92 Ų | 92 | 103.1 Ų | 103.1 | 56% | 0.558 | 53% | 0.532 | S | S | * | . | trans | -67 | 115.5 | -171.7 | 176.3 | 0 | 0 | 0 | 0 | 111 | L304 | V302-L304 HydrophobicContact CG1-CD2 4.48Å; V302-L304 PolarHBondContact O-N 3.46Å | ||
| 303 | E | 34.4 | Very low | 49 | Very low | 175 Ų | 175 | 98.2 Ų | 98.2 | 82% | 0.818 | 53% | 0.532 | S | S | * | . | trans | -60.2 | 106.6 | 156.9 | -74.9 | -178.6 | 132.4 | 0 | 0 | 108.2 | P301 | P301-E303 PolarHBondContact O-N 3.29Š| ||
| 304 | L | 32.1 | Very low | 46.9 | Very low | 148 Ų | 148 | 99.7 Ų | 99.7 | 78% | 0.775 | 55% | 0.552 | S | S | * | * | trans | -66.2 | 130.5 | 161.7 | -67.4 | 175.3 | 0 | 0 | 0 | 107.3 | V302 | V302-L304 HydrophobicContact CG1-CD2 4.48Å; V302-L304 PolarHBondContact O-N 3.46Å | ||
| 305 | P | 32.5 | Very low | 44.7 | Very low | 104 Ų | 104 | 102.6 Ų | 102.6 | 68% | 0.675 | 57% | 0.573 | S | S | * | * | trans | -63.4 | 134.9 | -174.7 | 25.1 | -33.8 | 0 | 0 | 0 | 110.6 | V307 | P305-V307 PolarHBondContact O-N 3.05Å; P305-V307 VanDerWaalsContact O-N 3.12Å | ||
| 306 | P | 29.1 | Very low | 41.9 | Very low | 115 Ų | 115 | 112 Ų | 112 | 75% | 0.747 | 62% | 0.617 | S | S | * | * | trans | -68 | 112.9 | -179.8 | 27.2 | -33.7 | 0 | 0 | 0 | 110.1 | Q308 | P306-Q308 PolarHBondContact O-N 3.36Å; P306-Q308 VanDerWaalsContact O-N 3.1Å | ||
| 307 | V | 32.6 | Very low | 39 | Very low | 144 Ų | 144 | 121.6 Ų | 121.6 | 87% | 0.873 | 66% | 0.659 | S | S | * | * | trans | -73.2 | 100.9 | 172.5 | 179.9 | 0 | 0 | 0 | 0 | 108.3 | P305 | P305-V307 PolarHBondContact O-N 3.05Å; P305-V307 VanDerWaalsContact O-N 3.12Å | ||
| 308 | Q | 33.5 | Very low | 36.5 | Very low | 166 Ų | 166 | 122.4 Ų | 122.4 | 78% | 0.776 | 68% | 0.675 | S | S | * | * | trans | -92.6 | 115.1 | 169.5 | -72.9 | -172.7 | -12 | 0 | 0 | 110.6 | P306 | P306-Q308 PolarHBondContact O-N 3.36Å; P306-Q308 VanDerWaalsContact O-N 3.1Å | ||
| 309 | D | 26.1 | Very low | 33.8 | Very low | 148 Ų | 148 | 125.7 Ų | 125.7 | 79% | 0.791 | 70% | 0.703 | S | S | * | * | trans | 16 | 108.9 | 150.5 | -56.2 | -44.6 | 0 | 0 | 0 | 118.9 | ||||
| 310 | L | 32.3 | Very low | 31.7 | Very low | 182 Ų | 182 | 129.8 Ų | 129.8 | 95% | 0.953 | 72% | 0.721 | S | S | * | * | trans | -108.9 | 132.9 | 136.5 | -105.3 | 79.5 | 0 | 0 | 0 | 108.3 | ||||
| 311 | S | 28.8 | Very low | 30 | Very low | 92 Ų | 92 | 139.5 Ų | 139.5 | 64% | 0.643 | 76% | 0.762 | S | S | * | * | trans | -128.2 | 146.8 | -177 | 71.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 312 | K | 27.2 | Very low | 29.1 | Very low | 196 Ų | 196 | 147.2 Ų | 147.2 | 85% | 0.852 | 79% | 0.793 | S | S | * | * | trans | 72.7 | 113.8 | 166.2 | -53.6 | 168.9 | -174.7 | 174.3 | 0 | 117.8 | ||||
| 313 | S | 24.7 | Very low | 28.5 | Very low | 121 Ų | 121 | 154.6 Ų | 154.6 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | -159.8 | 171 | 104.8 | 51.9 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 314 | S | 24.9 | Very low | 28 | Very low | 107 Ų | 107 | 151.7 Ų | 151.7 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | trans | -18.7 | 132.4 | 177.5 | -78.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 315 | S | 25.3 | Very low | 27.8 | Very low | 100 Ų | 100 | 152.5 Ų | 152.5 | 70% | 0.699 | 81% | 0.809 | S | S | * | * | cis | 90.2 | 102 | 45.9 | 77.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 316 | E | 21.8 | Very low | 27.5 | Very low | 196 Ų | 196 | 155.2 Ų | 155.2 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | trans | 178.2 | 150.4 | 131.5 | -99.4 | 179.3 | 151.3 | 0 | 0 | 111.4 | ||||
| 317 | F | 23.1 | Very low | 27.5 | Very low | 209 Ų | 209 | 154.9 Ų | 154.9 | 92% | 0.917 | 81% | 0.81 | S | S | * | * | trans | -132.3 | 132.7 | 170.3 | -87.7 | -75.1 | 0 | 0 | 0 | 108.3 | ||||
| 318 | P | 31.8 | Very low | 27.3 | Very low | 118 Ų | 118 | 154 Ų | 154 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | -142.8 | 171.8 | 110 | 18.1 | 4.9 | 0 | 0 | 0 | 112.6 | |||||
| 319 | S | 25.4 | Very low | 27.3 | Very low | 107 Ų | 107 | 151.2 Ų | 151.2 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | cis | -160.8 | 154 | -13 | -111.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 320 | Q | 28.9 | Very low | 27.4 | Very low | 173 Ų | 173 | 151.8 Ų | 151.8 | 81% | 0.808 | 80% | 0.802 | S | S | * | * | trans | 4.5 | 136.6 | 157.1 | -53.2 | -179.1 | 0.6 | 0 | 0 | 121.5 | ||||
| 321 | K | 27.6 | Very low | 27.6 | Very low | 206 Ų | 206 | 150.2 Ų | 150.2 | 90% | 0.896 | 80% | 0.795 | S | S | * | * | -165 | 138.1 | 108.1 | -106.7 | 161.4 | -174.1 | 170.6 | 0 | 113.9 | |||||
| 322 | K | 29.8 | Very low | 27.6 | Very low | 193 Ų | 193 | 150.2 Ų | 150.2 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | trans | -78.8 | 150 | 166.7 | -75.4 | -178 | 174.2 | -178.9 | 0 | 110.6 | ||||
| 323 | R | 25.9 | Very low | 28 | Very low | 247 Ų | 247 | 145.5 Ų | 145.5 | 93% | 0.932 | 79% | 0.792 | S | S | * | * | -140.7 | 140.1 | 128.5 | -99.9 | -171.3 | -179.6 | -178.3 | 0.2 | 110.2 | |||||
| 324 | V | 24.8 | Very low | 28.8 | Very low | 113 Ų | 113 | 148 Ų | 148 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | trans | -109.3 | 144.6 | 170.2 | 171.7 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 325 | L | 28.5 | Very low | 29.3 | Very low | 166 Ų | 166 | 150.8 Ų | 150.8 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | trans | -153.8 | 131.5 | 158.8 | -108.9 | 168.3 | 0 | 0 | 0 | 109.2 | ||||
| 326 | E | 25.7 | Very low | 29.8 | Very low | 160 Ų | 160 | 152.6 Ų | 152.6 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -80 | 157.2 | -179.9 | -74.9 | -72 | 107.5 | 0 | 0 | 112 | ||
| 327 | P | 29.8 | Very low | 30.5 | Very low | 108 Ų | 108 | 151.7 Ų | 151.7 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 136.7 | 170.2 | 31.9 | -33.2 | 0 | 0 | 0 | 111.7 | ||
| 328 | S | 26.6 | Very low | 31.1 | Very low | 125 Ų | 125 | 147.9 Ų | 147.9 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 149.3 | 175 | -169 | 0 | 0 | 0 | 0 | 112.1 | ||
| 329 | V | 34.2 | Very low | 31.2 | Very low | 109 Ų | 109 | 147.7 Ų | 147.7 | 66% | 0.661 | 79% | 0.786 | S | S | * | * | trans | -96.2 | 175.9 | 180 | -158.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 330 | E | 29.1 | Very low | 32.1 | Very low | 159 Ų | 159 | 148.4 Ų | 148.4 | 74% | 0.743 | 79% | 0.791 | S | S | * | * | trans | 61.7 | 102 | 172.8 | -69.4 | 100 | -128.7 | 0 | 0 | 119 | ||||
| 331 | N | 34.9 | Very low | 32.9 | Very low | 150 Ų | 150 | 143.8 Ų | 143.8 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | -157.9 | 150.6 | 103.9 | -120.2 | -72.3 | 0 | 0 | 0 | 117.6 | |||||
| 332 | C | 30.3 | Very low | 33.3 | Very low | 92 Ų | 92 | 138.5 Ų | 138.5 | 62% | 0.622 | 79% | 0.785 | S | S | * | * | trans | 50.8 | 64.1 | 157.5 | -76.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 333 | A | 34.6 | Very low | 34.3 | Very low | 97 Ų | 97 | 139.8 Ų | 139.8 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | trans | -69.2 | 127.8 | 148.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 334 | K | 42.3 | Very low | 35 | Very low | 172 Ų | 172 | 139.3 Ų | 139.3 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | -142.5 | 149 | 166.4 | -66 | -173.4 | -178.6 | 175.6 | 0 | 109.7 | ||||
| 335 | N | 35 | Very low | 35.7 | Very low | 166 Ų | 166 | 138.7 Ų | 138.7 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | trans | 74.4 | 40.9 | 176.9 | -49.3 | -34.7 | 0 | 0 | 0 | 117.7 | ||||
| 336 | L | 36.1 | Very low | 36.6 | Very low | 139 Ų | 139 | 139.3 Ų | 139.3 | 73% | 0.728 | 79% | 0.785 | S | S | * | * | trans | -81.7 | 133.5 | 153.4 | -73 | 176.5 | 0 | 0 | 0 | 110.2 | ||||
| 337 | F | 35.8 | Very low | 37.9 | Very low | 176 Ų | 176 | 138.6 Ų | 138.6 | 77% | 0.772 | 79% | 0.792 | S | S | * | * | trans | 65.3 | 110.8 | 170.8 | -43 | -64.6 | 0 | 0 | 0 | 119.1 | ||||
| 338 | P | 35.5 | Very low | 39.4 | Very low | 130 Ų | 130 | 141.5 Ų | 141.5 | 84% | 0.844 | 79% | 0.789 | S | S | * | * | trans | -71.1 | 128.3 | 133.2 | -1.1 | 20 | 0 | 0 | 0 | 108.8 | ||||
| 339 | S | 33.8 | Very low | 40.6 | Very low | 114 Ų | 114 | 142 Ų | 142 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | trans | -70.5 | 157.7 | 176 | -169.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 340 | S | 44.4 | Very low | 42.2 | Very low | 121 Ų | 121 | 141.4 Ų | 141.4 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | S | Bend | trans | 5.8 | 131.2 | 160.9 | -165.6 | 0 | 0 | 0 | 0 | 119.6 | ||
| 341 | G | 46.6 | Very low | 43.9 | Very low | 77 Ų | 77 | 137.5 Ų | 137.5 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | trans | 121.8 | 20.1 | 141 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 342 | A | 34.4 | Very low | 45.2 | Very low | 95 Ų | 95 | 134.4 Ų | 134.4 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | trans | -143.1 | 138 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | R344 | A342-R344 PolarHBondContact O-N 2.77Š| ||
| 343 | K | 51.9 | Low | 47.4 | Very low | 219 Ų | 219 | 134 Ų | 134 | 95% | 0.952 | 74% | 0.74 | S | S | * | * | trans | -74.4 | 80.5 | 174.4 | -67 | 176 | -178.1 | 172.3 | 0 | 110.8 | S345 | K343-S345 PolarHBondContact O-N 3.28Š| ||
| 344 | R | 40.1 | Very low | 49.3 | Very low | 237 Ų | 237 | 137.4 Ų | 137.4 | 89% | 0.894 | 74% | 0.736 | S | S | * | * | trans | -78.4 | 100.2 | -178.2 | -160.8 | 171.2 | -171.5 | 128.3 | -0.7 | 111.4 | A342 | A342-R344 PolarHBondContact O-N 2.77Š| ||
| 345 | S | 39.2 | Very low | 50.9 | Low | 100 Ų | 100 | 133.9 Ų | 133.9 | 70% | 0.699 | 73% | 0.725 | S | S | * | * | trans | -69.3 | 136.1 | 172.3 | 56.4 | 0 | 0 | 0 | 0 | 111 | K343 T347 | K343-S345 PolarHBondContact O-N 3.28Å; S345-T347 PolarHBondContact O-N 3.09Å | ||
| 346 | F | 47.2 | Very low | 53 | Low | 179 Ų | 179 | 128.4 Ų | 128.4 | 79% | 0.785 | 70% | 0.703 | S | S | * | * | trans | -52.4 | 136.5 | 165.4 | -64.4 | -81.9 | 0 | 0 | 0 | 110.9 | R348 | F346-R348 PolarHBondContact O-N 3.43Š| ||
| 347 | T | 54.8 | Low | 55.1 | Low | 146 Ų | 146 | 128.2 Ų | 128.2 | 90% | 0.896 | 70% | 0.696 | S | S | * | * | trans | -67 | 93.5 | 177.2 | 38.8 | 0 | 0 | 0 | 0 | 110.4 | S345 | S345-T347 PolarHBondContact O-N 3.09Š| ||
| 348 | R | 59.7 | Low | 57.4 | Low | 168 Ų | 168 | 123.2 Ų | 123.2 | 63% | 0.634 | 68% | 0.683 | S | S | * | * | trans | -77.5 | 141.7 | 176 | -58.9 | -175.5 | -170.4 | -86.9 | -0.4 | 110.1 | F346 L352 | F346-R348 PolarHBondContact O-N 3.43Å; R348-L352 HydrophobicContact CB-CB 4.12Å; R348-L352 HydrophobicContact CB-CD1 4.37Å | ||
| 349 | H | 53.4 | Low | 59.5 | Low | 136 Ų | 136 | 121.2 Ų | 121.2 | 63% | 0.63 | 66% | 0.664 | S | S | * | * | trans | -50.6 | 145.1 | 176.2 | -129 | -112.2 | 0 | 0 | 0 | 111.7 | S351 L352 I353 | H349-S351 PolarHBondContact O-N 3.44Å; H349-L352 WeakPolarHBondContact O-CB 3.42Å; H349-L352 PolarHBondContact O-N 3.25Å; H349-I353 PolarHBondContact O-N 2.96Å | ||
| 350 | P | 67.6 | Low | 61.7 | Low | 97 Ų | 97 | 121.3 Ų | 121.3 | 63% | 0.63 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -58.8 | -26.6 | -175.5 | 20.1 | -32.2 | 0 | 0 | 0 | 113.9 | I353 K354 | P350-I353 PolarHBondContact O-N 3.07Å; P350-K354 WeakPolarHBondContact O-CB 3.14Å; P350-K354 PolarHBondContact O-N 2.99Å |
| 351 | S | 63.6 | Low | 63.3 | Low | 76 Ų | 76 | 118.8 Ų | 118.8 | 53% | 0.531 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -61.1 | -43.8 | 170.4 | 48.2 | 0 | 0 | 0 | 0 | 113 | H349 K354 L355 | H349-S351 PolarHBondContact O-N 3.44Å; S351-K354 WeakPolarHBondContact O-CB 3.5Å; S351-K354 PolarHBondContact O-N 3.06Å; S351-L355 PolarHBondContact O-N 2.89Å |
| 352 | L | 63.2 | Low | 64.7 | Low | 85 Ų | 85 | 119.8 Ų | 119.8 | 45% | 0.445 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -68.9 | -33.6 | 176 | -78 | 168.2 | 0 | 0 | 0 | 112.3 | R348 H349 K354 L355 A356 | R348-L352 HydrophobicContact CB-CB 4.12Å; R348-L352 HydrophobicContact CB-CD1 4.37Å; H349-L352 WeakPolarHBondContact O-CB 3.42Å; H349-L352 PolarHBondContact O-N 3.25Å; L352-K354 VanDerWaalsContact C-N 3.34Å; L352-L355 HydrophobicContact CD2-CD2 4.44Å; L352-L355 PolarHBondContact O-N 3.26Å; L352-A356 VanDerWaalsContact O-CB 3.31Å; L352-A356 WeakPolarHBondContact O-CB 3.41Å; L352-A356 PolarHBondContact O-N 2.98Å |
| 353 | I | 75.1 | Confident | 66.3 | Low | 85 Ų | 85 | 123.5 Ų | 123.5 | 44% | 0.436 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65.4 | -40.7 | 172.8 | -60.6 | 175.9 | 0 | 0 | 0 | 110.2 | H349 P350 A356 K357 | H349-I353 PolarHBondContact O-N 2.96Å; P350-I353 PolarHBondContact O-N 3.07Å; I353-A356 PolarHBondContact O-N 2.76Å; I353-K357 WeakPolarHBondContact O-CG 3.46Å; I353-K357 PolarHBondContact O-N 2.92Å |
| 354 | K | 74.8 | Confident | 67.2 | Low | 168 Ų | 168 | 120.3 Ų | 120.3 | 73% | 0.73 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -65.7 | -42.5 | 176.7 | -151.6 | 171 | -173.3 | 178.2 | 0 | 111.6 | P350 S351 L352 S358 | P350-K354 WeakPolarHBondContact O-CB 3.14Å; P350-K354 PolarHBondContact O-N 2.99Å; S351-K354 WeakPolarHBondContact O-CB 3.5Å; S351-K354 PolarHBondContact O-N 3.06Å; L352-K354 VanDerWaalsContact C-N 3.34Å; K354-S358 WeakPolarHBondContact O-CB 3.48Å; K354-S358 PolarHBondContact O-N 2.8Å |
| 355 | L | 77.6 | Confident | 68.3 | Low | 97 Ų | 97 | 116.8 Ų | 116.8 | 51% | 0.508 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.1 | -46.6 | 173.9 | -178.9 | 62.2 | 0 | 0 | 0 | 112.2 | S351 L352 K357 S358 I359 | S351-L355 PolarHBondContact O-N 2.89Å; L352-L355 HydrophobicContact CD2-CD2 4.44Å; L352-L355 PolarHBondContact O-N 3.26Å; L355-K357 PolarHBondContact O-N 3.33Å; L355-S358 WeakPolarHBondContact O-CB 3.23Å; L355-S358 PolarHBondContact O-N 2.94Å; L355-I359 HydrophobicContact CD1-CD1 4.04Å; L355-I359 HydrophobicContact CD1-CG1 4.38Å; L355-I359 HydrophobicContact CG-CD1 3.95Å; L355-I359 WeakPolarHBondContact O-CG1 3.47Å; L355-I359 PolarHBondContact O-N 3.27Å |
| 356 | A | 78.9 | Confident | 69.3 | Low | 51 Ų | 51 | 117.7 Ų | 117.7 | 42% | 0.421 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61.2 | -44.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L352 I353 I359 Q360 | L352-A356 VanDerWaalsContact O-CB 3.31Å; L352-A356 WeakPolarHBondContact O-CB 3.41Å; L352-A356 PolarHBondContact O-N 2.98Å; I353-A356 PolarHBondContact O-N 2.76Å; A356-I359 PolarHBondContact O-N 3.17Å; A356-Q360 PolarHBondContact O-N 3.14Å |
| 357 | K | 79.2 | Confident | 69.5 | Low | 135 Ų | 135 | 115.6 Ų | 115.6 | 59% | 0.587 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -60.8 | -46.1 | 173.2 | -73.8 | -177.4 | 177.3 | -174.2 | 0 | 111.7 | I353 L355 I359 Q360 D361 | I353-K357 WeakPolarHBondContact O-CG 3.46Å; I353-K357 PolarHBondContact O-N 2.92Å; L355-K357 PolarHBondContact O-N 3.33Å; K357-I359 VanDerWaalsContact C-N 3.32Å; K357-I359 PolarHBondContact O-N 2.94Å; K357-Q360 CarbonylContact O-C 3.59Å; K357-Q360 WeakPolarHBondContact O-CA 3.46Å; K357-Q360 WeakPolarHBondContact O-CB 3.35Å; K357-Q360 PolarHBondContact O-N 3.45Å; K357-D361 PolarHBondContact O-N 2.98Å |
| 358 | S | 84.4 | Confident | 69.1 | Low | 72 Ų | 72 | 112.9 Ų | 112.9 | 50% | 0.503 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -55.4 | -45 | 176.6 | -167.7 | 0 | 0 | 0 | 0 | 112.4 | K354 L355 Q360 D361 D362 | K354-S358 WeakPolarHBondContact O-CB 3.48Å; K354-S358 PolarHBondContact O-N 2.8Å; L355-S358 WeakPolarHBondContact O-CB 3.23Å; L355-S358 PolarHBondContact O-N 2.94Å; S358-Q360 VanDerWaalsContact C-N 3.35Å; S358-D361 PolarHBondContact O-N 3Å; S358-D362 WeakPolarHBondContact O-CB 3.37Å; S358-D362 PolarHBondContact O-N 3.47Å |
| 359 | I | 80.2 | Confident | 68.1 | Low | 87 Ų | 87 | 109.4 Ų | 109.4 | 45% | 0.446 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67 | -37.4 | 177.2 | -66.6 | 165.2 | 0 | 0 | 0 | 110.8 | L355 A356 K357 R363 | L355-I359 HydrophobicContact CD1-CD1 4.04Å; L355-I359 HydrophobicContact CD1-CG1 4.38Å; L355-I359 HydrophobicContact CG-CD1 3.95Å; L355-I359 WeakPolarHBondContact O-CG1 3.47Å; L355-I359 PolarHBondContact O-N 3.27Å; A356-I359 PolarHBondContact O-N 3.17Å; K357-I359 VanDerWaalsContact C-N 3.32Å; K357-I359 PolarHBondContact O-N 2.94Å; I359-R363 WeakPolarHBondContact O-CB 3.4Å; I359-R363 VanDerWaalsContact O-CG 3.22Å; I359-R363 WeakPolarHBondContact O-CG 3.5Å; I359-R363 PolarHBondContact O-N 3.27Å; I359-R363 VanDerWaalsContact O-N 3.12Å |
| 360 | Q | 79.8 | Confident | 68.1 | Low | 117 Ų | 117 | 109.3 Ų | 109.3 | 55% | 0.547 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.3 | -41.4 | 175.4 | -138.5 | 83.8 | 6.6 | 0 | 0 | 111.9 | A356 K357 S358 R364 | A356-Q360 PolarHBondContact O-N 3.14Å; K357-Q360 CarbonylContact O-C 3.59Å; K357-Q360 WeakPolarHBondContact O-CA 3.46Å; K357-Q360 WeakPolarHBondContact O-CB 3.35Å; K357-Q360 PolarHBondContact O-N 3.45Å; S358-Q360 VanDerWaalsContact C-N 3.35Å; Q360-R364 WeakPolarHBondContact O-CG 3.26Å; Q360-R364 PolarHBondContact O-N 2.97Å |
| 361 | D | 76.8 | Confident | 66.5 | Low | 68 Ų | 68 | 110.4 Ų | 110.4 | 36% | 0.364 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -76.6 | -36.5 | -177.2 | -70.9 | -36.4 | 0 | 0 | 0 | 112.8 | K357 S358 R363 R364 K365 | K357-D361 PolarHBondContact O-N 2.98Å; S358-D361 PolarHBondContact O-N 3Å; D361-R363 VanDerWaalsContact C-N 3.34Å; D361-R364 WeakPolarHBondContact O-CB 3.49Å; D361-R364 PolarHBondContact O-N 3.36Å; D361-R364 VanDerWaalsContact O-N 3.11Å; D361-R364 IonicContact OD1-CZ 3.92Å; D361-R364 VanDerWaalsContact OD1-CZ 3.25Å; D361-R364 IonicContact OD1-NE 2.65Å; D361-R364 PolarHBondContact OD1-NE 2.89Å; D361-R364 IonicContact OD1-NH2 2.63Å; D361-R364 PolarHBondContact OD1-NH2 2.95Å; D361-K365 PolarHBondContact O-N 3Å |
| 362 | D | 76.3 | Confident | 65 | Low | 97 Ų | 97 | 111.8 Ų | 111.8 | 52% | 0.519 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -63.9 | -42.5 | 171.6 | -158.3 | 53.2 | 0 | 0 | 0 | 110.8 | S358 R364 K365 I366 | S358-D362 WeakPolarHBondContact O-CB 3.37Å; S358-D362 PolarHBondContact O-N 3.47Å; D362-R364 PolarHBondContact O-N 3.12Å; D362-K365 PolarHBondContact O-N 3.22Å; D362-I366 PolarHBondContact O-N 2.93Å; D362-I366 VanDerWaalsContact O-N 3.15Å |
| 363 | R | 69.7 | Low | 64 | Low | 174 Ų | 174 | 113.8 Ų | 113.8 | 66% | 0.657 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66.5 | -18.8 | 171.7 | -69.1 | -178.4 | 78.8 | 177.3 | 6.7 | 114.1 | I359 D361 N367 | I359-R363 WeakPolarHBondContact O-CB 3.4Å; I359-R363 VanDerWaalsContact O-CG 3.22Å; I359-R363 WeakPolarHBondContact O-CG 3.5Å; I359-R363 PolarHBondContact O-N 3.27Å; I359-R363 VanDerWaalsContact O-N 3.12Å; D361-R363 VanDerWaalsContact C-N 3.34Å; R363-N367 PolarHBondContact O-ND2 3.27Å |
| 364 | R | 69.1 | Low | 61.8 | Low | 152 Ų | 152 | 116.8 Ų | 116.8 | 57% | 0.574 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -80.1 | -47 | 168.8 | -77.9 | -172.2 | -85.2 | -138.8 | 4 | 111.3 | Q360 D361 D362 I366 N367 S368 | Q360-R364 WeakPolarHBondContact O-CG 3.26Å; Q360-R364 PolarHBondContact O-N 2.97Å; D361-R364 WeakPolarHBondContact O-CB 3.49Å; D361-R364 PolarHBondContact O-N 3.36Å; D361-R364 VanDerWaalsContact O-N 3.11Å; D361-R364 IonicContact OD1-CZ 3.92Å; D361-R364 VanDerWaalsContact OD1-CZ 3.25Å; D361-R364 IonicContact OD1-NE 2.65Å; D361-R364 PolarHBondContact OD1-NE 2.89Å; D361-R364 IonicContact OD1-NH2 2.63Å; D361-R364 PolarHBondContact OD1-NH2 2.95Å; D362-R364 PolarHBondContact O-N 3.12Å; R364-I366 VanDerWaalsContact C-N 3.32Å; R364-I366 PolarHBondContact O-N 3.07Å; R364-N367 PolarHBondContact O-N 3Å; R364-S368 PolarHBondContact O-N 3.48Å; R364-S368 PolarHBondContact O-OG 3.01Å |
| 365 | K | 64.6 | Low | 60 | Low | 163 Ų | 163 | 117.8 Ų | 117.8 | 71% | 0.709 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -54.3 | -43.8 | 178.4 | -76.6 | -178.2 | 174.8 | -177 | 0 | 113.2 | D361 D362 N367 | D361-K365 PolarHBondContact O-N 3Å; D362-K365 PolarHBondContact O-N 3.22Å; K365-N367 PolarHBondContact O-N 3.38Å |
| 366 | I | 59.3 | Low | 57.5 | Low | 119 Ų | 119 | 119.1 Ų | 119.1 | 61% | 0.61 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -3.8 | 179.7 | 68.3 | -176.6 | 0 | 0 | 0 | 114.4 | D362 R364 | D362-I366 PolarHBondContact O-N 2.93Å; D362-I366 VanDerWaalsContact O-N 3.15Å; R364-I366 VanDerWaalsContact C-N 3.32Å; R364-I366 PolarHBondContact O-N 3.07Å |
| 367 | N | 51 | Low | 55.3 | Low | 135 Ų | 135 | 123.1 Ų | 123.1 | 72% | 0.722 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.8 | 12.3 | -177.4 | -73.3 | -67.8 | 0 | 0 | 0 | 113.6 | R363 R364 K365 | R363-N367 PolarHBondContact O-ND2 3.27Å; R364-N367 PolarHBondContact O-N 3Å; K365-N367 PolarHBondContact O-N 3.38Å |
| 368 | S | 47.3 | Very low | 53.4 | Low | 89 Ų | 89 | 124.9 Ų | 124.9 | 62% | 0.622 | 70% | 0.696 | S | S | * | * | trans | -132.7 | 89.6 | -177.2 | 63.4 | 0 | 0 | 0 | 0 | 113.3 | R364 | R364-S368 PolarHBondContact O-N 3.48Å; R364-S368 PolarHBondContact O-OG 3.01Å | ||
| 369 | A | 39.5 | Very low | 50.9 | Low | 94 Ų | 94 | 124.6 Ų | 124.6 | 78% | 0.777 | 70% | 0.704 | S | S | * | * | trans | -114 | 148.3 | 153.3 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 370 | P | 52.4 | Low | 48.6 | Very low | 135 Ų | 135 | 128.2 Ų | 128.2 | 88% | 0.877 | 72% | 0.724 | S | S | * | * | trans | -85.1 | 150.7 | -158.5 | 32.5 | -36.4 | 0 | 0 | 0 | 114.7 | ||||
| 371 | S | 33.5 | Very low | 47.4 | Very low | 119 Ų | 119 | 128.5 Ų | 128.5 | 83% | 0.832 | 74% | 0.736 | S | S | * | * | trans | -129.7 | 138.9 | 155.4 | -170.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 372 | S | 31.7 | Very low | 45.7 | Very low | 105 Ų | 105 | 130 Ų | 130 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | trans | -85.1 | 158 | -171.6 | 40.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 373 | P | 42.9 | Very low | 44.2 | Very low | 127 Ų | 127 | 132.9 Ų | 132.9 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | trans | -83.5 | 142.7 | -171.8 | 32.7 | -35.5 | 0 | 0 | 0 | 113.5 | ||||
| 374 | T | 29.5 | Very low | 42.8 | Very low | 149 Ų | 149 | 130.2 Ų | 130.2 | 91% | 0.914 | 78% | 0.777 | S | S | * | * | trans | -118.8 | 154.7 | 161.5 | 44.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 375 | K | 36.1 | Very low | 41.6 | Very low | 189 Ų | 189 | 130.3 Ų | 130.3 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | -130.5 | 107.2 | -158 | 173.9 | -164.6 | 171.4 | -173.7 | 0 | 112.1 | ||||
| 376 | C | 26.4 | Very low | 41.1 | Very low | 125 Ų | 125 | 128 Ų | 128 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | trans | -137.5 | 115.9 | 157.7 | -68.9 | 0 | 0 | 0 | 0 | 106 | ||||
| 377 | V | 31.3 | Very low | 41.3 | Very low | 134 Ų | 134 | 125.6 Ų | 125.6 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | 76.9 | 132.8 | 67.5 | 177.9 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 378 | L | 40.5 | Very low | 42.5 | Very low | 173 Ų | 173 | 123.1 Ų | 123.1 | 91% | 0.906 | 77% | 0.773 | S | S | * | * | trans | -81.3 | 145.7 | -165.5 | 178.8 | 68.5 | 0 | 0 | 0 | 113 | ||||
| 379 | G | 31.7 | Very low | 43.9 | Very low | 65 Ų | 65 | 126.6 Ų | 126.6 | 67% | 0.67 | 78% | 0.777 | S | S | * | * | trans | 173.1 | 93.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 380 | D | 31.9 | Very low | 45.8 | Very low | 164 Ų | 164 | 128 Ų | 128 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | trans | 56.1 | 160.4 | 151.5 | -71.6 | -15.7 | 0 | 0 | 0 | 124 | ||||
| 381 | P | 54.9 | Low | 47.1 | Very low | 122 Ų | 122 | 124 Ų | 124 | 79% | 0.792 | 75% | 0.747 | S | S | * | * | trans | -119 | 114.7 | -163.8 | 35.7 | -18.4 | 0 | 0 | 0 | 114.5 | ||||
| 382 | A | 40.9 | Very low | 49.5 | Very low | 101 Ų | 101 | 122.8 Ų | 122.8 | 84% | 0.835 | 73% | 0.729 | S | S | * | * | trans | -138 | 96.2 | 173 | 0 | 0 | 0 | 0 | 0 | 113.4 | V384 | A382-V384 PolarHBondContact O-N 3.48Š| ||
| 383 | N | 43.7 | Very low | 51.9 | Low | 156 Ų | 156 | 122.1 Ų | 122.1 | 83% | 0.834 | 72% | 0.717 | S | S | * | * | trans | -32.6 | 105.7 | 166.1 | 176.7 | 12.5 | 0 | 0 | 0 | 116.4 | ||||
| 384 | V | 39.9 | Very low | 53.9 | Low | 119 Ų | 119 | 119 Ų | 119 | 72% | 0.721 | 70% | 0.701 | S | S | * | * | trans | -143.9 | 96.3 | 145.6 | -174.6 | 0 | 0 | 0 | 0 | 109.5 | A382 V386 | A382-V384 PolarHBondContact O-N 3.48Å; V384-V386 HydrophobicContact CG1-CG2 4.15Å; V384-V386 PolarHBondContact O-N 2.89Å; V384-V386 VanDerWaalsContact O-N 3.15Å | ||
| 385 | D | 45.7 | Very low | 56.4 | Low | 154 Ų | 154 | 114.2 Ų | 114.2 | 82% | 0.824 | 68% | 0.677 | S | S | * | * | trans | -73.1 | 101.3 | 168.9 | -123 | -24.6 | 0 | 0 | 0 | 109.2 | P387 | D385-P387 WeakPolarHBondContact O-CD 3.45Š| ||
| 386 | V | 52.4 | Low | 58.7 | Low | 113 Ų | 113 | 110.2 Ų | 110.2 | 69% | 0.685 | 66% | 0.663 | S | S | * | * | trans | -75.7 | 108.4 | 174.9 | 179 | 0 | 0 | 0 | 0 | 108.1 | V384 S388 | V384-V386 HydrophobicContact CG1-CG2 4.15Å; V384-V386 PolarHBondContact O-N 2.89Å; V384-V386 VanDerWaalsContact O-N 3.15Å; V386-S388 PolarHBondContact O-N 2.94Å | ||
| 387 | P | 64.1 | Low | 61.3 | Low | 70 Ų | 70 | 107.9 Ų | 107.9 | 46% | 0.455 | 65% | 0.648 | S | S | . | * | trans | -66.1 | 129.3 | -171.6 | 26.6 | -34 | 0 | 0 | 0 | 110.1 | D385 A391 Q392 | D385-P387 WeakPolarHBondContact O-CD 3.45Å; P387-A391 HydrophobicContact CB-CB 4.44Å; P387-Q392 HydrophobicContact CB-CG 4.43Å; P387-Q392 HydrophobicContact CG-CG 4.01Å | ||
| 388 | S | 77.2 | Confident | 63.9 | Low | 83 Ų | 83 | 108.2 Ų | 108.2 | 58% | 0.58 | 64% | 0.638 | S | S | * | * | trans | -44.7 | 141.9 | 178.8 | 172.9 | 0 | 0 | 0 | 0 | 111.9 | V386 M390 A391 Q392 | V386-S388 PolarHBondContact O-N 2.94Å; S388-M390 PolarHBondContact O-N 2.95Å; S388-A391 WeakPolarHBondContact O-CA 3.43Å; S388-A391 WeakPolarHBondContact O-CB 3.31Å; S388-A391 PolarHBondContact O-N 2.94Å; S388-Q392 PolarHBondContact O-N 3.46Å; S388-Q392 VanDerWaalsContact O-N 3.12Å | ||
| 389 | K | 76.1 | Confident | 66 | Low | 162 Ų | 162 | 104.8 Ų | 104.8 | 70% | 0.704 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -52.9 | -27.9 | -177.1 | -155.1 | 167.7 | -171.8 | 171.8 | 0 | 112.9 | L393 | K389-L393 WeakPolarHBondContact O-CG 3.49Å; K389-L393 PolarHBondContact O-N 3.48Å; K389-L393 VanDerWaalsContact O-N 3.11Å |
| 390 | M | 78.4 | Confident | 68.3 | Low | 122 Ų | 122 | 107.8 Ų | 107.8 | 60% | 0.601 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -76.7 | -32.9 | 174.3 | -62.7 | -58.4 | 97.3 | 0 | 0 | 113.7 | S388 L393 A394 | S388-M390 PolarHBondContact O-N 2.95Å; M390-L393 HydrophobicContact CE-CD1 3.7Å; M390-L393 PolarHBondContact O-N 3.34Å; M390-A394 VanDerWaalsContact O-CB 3.27Å; M390-A394 WeakPolarHBondContact O-CB 3.37Å; M390-A394 PolarHBondContact O-N 3.37Å |
| 391 | A | 79.6 | Confident | 70.5 | Confident | 52 Ų | 52 | 105.6 Ų | 105.6 | 43% | 0.43 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -67.3 | -39.6 | 172 | 0 | 0 | 0 | 0 | 0 | 111.1 | P387 S388 A394 A395 | P387-A391 HydrophobicContact CB-CB 4.44Å; S388-A391 WeakPolarHBondContact O-CA 3.43Å; S388-A391 WeakPolarHBondContact O-CB 3.31Å; S388-A391 PolarHBondContact O-N 2.94Å; A391-A394 PolarHBondContact O-N 3.23Å; A391-A395 WeakPolarHBondContact O-CB 3.41Å; A391-A395 PolarHBondContact O-N 3.26Å |
| 392 | Q | 84.2 | Confident | 71.5 | Confident | 93 Ų | 93 | 104 Ų | 104 | 44% | 0.435 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -61.8 | -48 | 172.5 | -68 | -177.2 | -21.3 | 0 | 0 | 112 | P387 S388 A394 A395 I396 | P387-Q392 HydrophobicContact CB-CG 4.43Å; P387-Q392 HydrophobicContact CG-CG 4.01Å; S388-Q392 PolarHBondContact O-N 3.46Å; S388-Q392 VanDerWaalsContact O-N 3.12Å; Q392-A394 PolarHBondContact O-N 3.37Å; Q392-A395 PolarHBondContact O-N 3.06Å; Q392-I396 VanDerWaalsContact O-CG1 3.32Å; Q392-I396 WeakPolarHBondContact O-CG1 3.37Å; Q392-I396 PolarHBondContact O-N 3.06Å |
| 393 | L | 83.4 | Confident | 73.1 | Confident | 92 Ų | 92 | 105 Ų | 105 | 48% | 0.482 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.1 | -39.8 | 175.4 | -70.7 | -175.8 | 0 | 0 | 0 | 112.4 | K389 M390 A395 I396 C397 | K389-L393 WeakPolarHBondContact O-CG 3.49Å; K389-L393 PolarHBondContact O-N 3.48Å; K389-L393 VanDerWaalsContact O-N 3.11Å; M390-L393 HydrophobicContact CE-CD1 3.7Å; M390-L393 PolarHBondContact O-N 3.34Å; L393-A395 PolarHBondContact O-N 3.12Å; L393-I396 PolarHBondContact O-N 2.9Å; L393-C397 WeakPolarHBondContact O-CB 3.35Å; L393-C397 PolarHBondContact O-N 2.97Å; L393-C397 PolarHBondContact O-SG 3.22Å; L393-C397 VanDerWaalsContact O-SG 3.38Å |
| 394 | A | 85.1 | Confident | 74.2 | Confident | 60 Ų | 60 | 101.7 Ų | 101.7 | 50% | 0.496 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.9 | -41.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | M390 A391 Q392 C397 K398 | M390-A394 VanDerWaalsContact O-CB 3.27Å; M390-A394 WeakPolarHBondContact O-CB 3.37Å; M390-A394 PolarHBondContact O-N 3.37Å; A391-A394 PolarHBondContact O-N 3.23Å; Q392-A394 PolarHBondContact O-N 3.37Å; A394-C397 PolarHBondContact O-N 2.84Å; A394-K398 WeakPolarHBondContact O-CB 3.46Å; A394-K398 PolarHBondContact O-N 3.04Å |
| 395 | A | 80.1 | Confident | 75.4 | Confident | 50 Ų | 50 | 97.4 Ų | 97.4 | 41% | 0.413 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.7 | -45.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A391 Q392 L393 K398 I399 | A391-A395 WeakPolarHBondContact O-CB 3.41Å; A391-A395 PolarHBondContact O-N 3.26Å; Q392-A395 PolarHBondContact O-N 3.06Å; L393-A395 PolarHBondContact O-N 3.12Å; A395-K398 PolarHBondContact O-N 3.27Å; A395-I399 VanDerWaalsContact O-CG1 3.31Å; A395-I399 WeakPolarHBondContact O-CG1 3.43Å; A395-I399 PolarHBondContact O-N 3.15Å |
| 396 | I | 85.1 | Confident | 75.8 | Confident | 104 Ų | 104 | 92.6 Ų | 92.6 | 53% | 0.533 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.5 | -44.5 | 177.7 | -67.3 | 163.6 | 0 | 0 | 0 | 111.2 | Q392 L393 K398 I399 K400 | Q392-I396 VanDerWaalsContact O-CG1 3.32Å; Q392-I396 WeakPolarHBondContact O-CG1 3.37Å; Q392-I396 PolarHBondContact O-N 3.06Å; L393-I396 PolarHBondContact O-N 2.9Å; I396-K398 PolarHBondContact O-N 2.82Å; I396-I399 PolarHBondContact O-N 3.18Å; I396-K400 PolarHBondContact O-N 3.01Å; I396-K400 VanDerWaalsContact O-N 3.08Å |
| 397 | C | 80.8 | Confident | 76.3 | Confident | 76 Ų | 76 | 90.3 Ų | 90.3 | 51% | 0.514 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.3 | -40.6 | 175.3 | -73.3 | 0 | 0 | 0 | 0 | 112.3 | L393 A394 K400 L401 | L393-C397 WeakPolarHBondContact O-CB 3.35Å; L393-C397 PolarHBondContact O-N 2.97Å; L393-C397 PolarHBondContact O-SG 3.22Å; L393-C397 VanDerWaalsContact O-SG 3.38Å; A394-C397 PolarHBondContact O-N 2.84Å; C397-K400 PolarHBondContact O-N 3.11Å; C397-L401 WeakPolarHBondContact O-CG 3.22Å; C397-L401 PolarHBondContact O-N 2.96Å; C397-L401 VanDerWaalsContact O-N 3.12Å |
| 398 | K | 86.4 | Confident | 75.5 | Confident | 141 Ų | 141 | 95.4 Ų | 95.4 | 61% | 0.613 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.5 | -50.1 | 176.3 | -174 | -178.3 | 177.5 | -174.2 | 0 | 111.6 | A394 A395 I396 K400 L401 D402 | A394-K398 WeakPolarHBondContact O-CB 3.46Å; A394-K398 PolarHBondContact O-N 3.04Å; A395-K398 PolarHBondContact O-N 3.27Å; I396-K398 PolarHBondContact O-N 2.82Å; K398-K400 VanDerWaalsContact C-N 3.25Å; K398-K400 PolarHBondContact O-N 3.31Å; K398-L401 PolarHBondContact O-N 3.19Å; K398-D402 PolarHBondContact O-N 3.33Å |
| 399 | I | 84.4 | Confident | 74.6 | Confident | 102 Ų | 102 | 97.5 Ų | 97.5 | 52% | 0.523 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -56.6 | -41.5 | 178.3 | -68.8 | 163.4 | 0 | 0 | 0 | 111 | A395 I396 D402 Q403 | A395-I399 VanDerWaalsContact O-CG1 3.31Å; A395-I399 WeakPolarHBondContact O-CG1 3.43Å; A395-I399 PolarHBondContact O-N 3.15Å; I396-I399 PolarHBondContact O-N 3.18Å; I399-D402 PolarHBondContact O-N 3.44Å; I399-Q403 WeakPolarHBondContact O-CG 3.35Å; I399-Q403 PolarHBondContact O-N 3.47Å |
| 400 | K | 79.9 | Confident | 73.7 | Confident | 127 Ų | 127 | 94.8 Ų | 94.8 | 55% | 0.552 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.3 | -42 | 179.6 | -167.3 | 169 | -176.9 | 175.5 | 0 | 112.9 | I396 C397 K398 Q403 E404 | I396-K400 PolarHBondContact O-N 3.01Å; I396-K400 VanDerWaalsContact O-N 3.08Å; C397-K400 PolarHBondContact O-N 3.11Å; K398-K400 VanDerWaalsContact C-N 3.25Å; K398-K400 PolarHBondContact O-N 3.31Å; K400-Q403 PolarHBondContact O-N 3.31Å; K400-E404 WeakPolarHBondContact O-CG 3.43Å; K400-E404 PolarHBondContact O-N 3.2Å |
| 401 | L | 78.6 | Confident | 72.4 | Confident | 118 Ų | 118 | 97.2 Ų | 97.2 | 62% | 0.618 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.2 | -39.2 | 175.4 | -70.6 | 169.4 | 0 | 0 | 0 | 112.4 | C397 K398 E404 S405 | C397-L401 WeakPolarHBondContact O-CG 3.22Å; C397-L401 PolarHBondContact O-N 2.96Å; C397-L401 VanDerWaalsContact O-N 3.12Å; K398-L401 PolarHBondContact O-N 3.19Å; L401-E404 PolarHBondContact O-N 2.65Å; L401-S405 PolarHBondContact O-N 3.43Å |
| 402 | D | 75.3 | Confident | 71.1 | Confident | 89 Ų | 89 | 101 Ų | 101 | 48% | 0.476 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.6 | -41.1 | 176.1 | -84.1 | -40.1 | 0 | 0 | 0 | 111.7 | K398 I399 S405 S406 | K398-D402 PolarHBondContact O-N 3.33Å; I399-D402 PolarHBondContact O-N 3.44Å; D402-S405 PolarHBondContact O-N 3.11Å; D402-S405 PolarHBondContact O-OG 3.43Å; D402-S406 PolarHBondContact O-N 3.36Å |
| 403 | Q | 74.1 | Confident | 69.4 | Low | 123 Ų | 123 | 103.9 Ų | 103.9 | 58% | 0.575 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -58.2 | -50.6 | 171.8 | -77.5 | -176.7 | -4.3 | 0 | 0 | 111.9 | I399 K400 S405 S406 V407 | I399-Q403 WeakPolarHBondContact O-CG 3.35Å; I399-Q403 PolarHBondContact O-N 3.47Å; K400-Q403 PolarHBondContact O-N 3.31Å; Q403-S405 VanDerWaalsContact C-N 3.31Å; Q403-S405 PolarHBondContact O-N 3.35Å; Q403-S406 WeakPolarHBondContact O-CB 3.45Å; Q403-S406 PolarHBondContact O-N 3.37Å; Q403-S406 VanDerWaalsContact O-N 3.11Å; Q403-S406 PolarHBondContact O-OG 3.04Å; Q403-V407 PolarHBondContact O-N 3.39Å |
| 404 | E | 67.5 | Low | 67.8 | Low | 86 Ų | 86 | 103.3 Ų | 103.3 | 40% | 0.402 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.3 | -39.9 | 178.2 | -72.5 | 174.2 | -161.5 | 0 | 0 | 111.7 | K400 L401 S406 V407 W408 | K400-E404 WeakPolarHBondContact O-CG 3.43Å; K400-E404 PolarHBondContact O-N 3.2Å; L401-E404 PolarHBondContact O-N 2.65Å; E404-S406 VanDerWaalsContact C-N 3.33Å; E404-S406 PolarHBondContact O-N 3.44Å; E404-V407 PolarHBondContact O-N 3.12Å; E404-W408 PolarHBondContact O-N 3.42Å |
| 405 | S | 66.3 | Low | 66 | Low | 29 Ų | 29 | 107.6 Ų | 107.6 | 20% | 0.203 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -63.2 | -36.4 | 174.9 | 95.4 | 0 | 0 | 0 | 0 | 112.9 | L401 D402 Q403 W408 K409 | L401-S405 PolarHBondContact O-N 3.43Å; D402-S405 PolarHBondContact O-N 3.11Å; D402-S405 PolarHBondContact O-OG 3.43Å; Q403-S405 VanDerWaalsContact C-N 3.31Å; Q403-S405 PolarHBondContact O-N 3.35Å; S405-W408 PolarHBondContact O-N 3.33Å; S405-K409 WeakPolarHBondContact O-CD 3.46Å; S405-K409 VanDerWaalsContact O-CG 3.24Å; S405-K409 WeakPolarHBondContact O-CG 3.41Å; S405-K409 PolarHBondContact O-N 3.24Å; S405-K409 PolarHBondContact OG-NZ 3.28Å |
| 406 | S | 52.3 | Low | 64.2 | Low | 52 Ų | 52 | 114.3 Ų | 114.3 | 36% | 0.364 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -67.1 | -38.6 | 179.5 | 79.6 | 0 | 0 | 0 | 0 | 111.9 | D402 Q403 E404 W408 K409 N410 | D402-S406 PolarHBondContact O-N 3.36Å; Q403-S406 WeakPolarHBondContact O-CB 3.45Å; Q403-S406 PolarHBondContact O-N 3.37Å; Q403-S406 VanDerWaalsContact O-N 3.11Å; Q403-S406 PolarHBondContact O-OG 3.04Å; E404-S406 VanDerWaalsContact C-N 3.33Å; E404-S406 PolarHBondContact O-N 3.44Å; S406-W408 PolarHBondContact O-N 3.39Å; S406-K409 PolarHBondContact O-N 3.49Å; S406-N410 WeakPolarHBondContact O-CB 3.34Å; S406-N410 PolarHBondContact O-N 3.04Å |
| 407 | V | 63.1 | Low | 62.4 | Low | 65 Ų | 65 | 112.8 Ų | 112.8 | 39% | 0.394 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.1 | -41.1 | 176.9 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | Q403 E404 R411 | Q403-V407 PolarHBondContact O-N 3.39Å; E404-V407 PolarHBondContact O-N 3.12Å; V407-R411 WeakPolarHBondContact O-CG 3.34Å; V407-R411 PolarHBondContact O-N 3.03Å |
| 408 | W | 47.7 | Very low | 60.6 | Low | 178 Ų | 178 | 118.8 Ų | 118.8 | 67% | 0.674 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -69.2 | -43.1 | 176.5 | -62.2 | -15.1 | 0 | 0 | 0 | 112.4 | E404 S405 S406 N410 R411 L412 | E404-W408 PolarHBondContact O-N 3.42Å; S405-W408 PolarHBondContact O-N 3.33Å; S406-W408 PolarHBondContact O-N 3.39Å; W408-N410 VanDerWaalsContact C-N 3.28Å; W408-N410 PolarHBondContact O-N 3.34Å; W408-R411 PolarHBondContact O-N 3.3Å; W408-L412 PolarHBondContact O-N 3.38Å |
| 409 | K | 57.6 | Low | 58.4 | Low | 127 Ų | 127 | 120.9 Ų | 120.9 | 55% | 0.552 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -57.7 | -39.5 | 175.1 | -71.8 | 160.4 | -174.7 | 160.7 | 0 | 112 | S405 S406 K413 | S405-K409 WeakPolarHBondContact O-CD 3.46Å; S405-K409 VanDerWaalsContact O-CG 3.24Å; S405-K409 WeakPolarHBondContact O-CG 3.41Å; S405-K409 PolarHBondContact O-N 3.24Å; S405-K409 PolarHBondContact OG-NZ 3.28Å; S406-K409 PolarHBondContact O-N 3.49Å; K409-K413 PolarHBondContact O-N 3.2Å |
| 410 | N | 57.4 | Low | 56.7 | Low | 104 Ų | 104 | 122.9 Ų | 122.9 | 56% | 0.556 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -75.9 | -37.8 | 178.6 | -72.5 | -14.8 | 0 | 0 | 0 | 113.3 | S406 W408 L412 K413 S414 | S406-N410 WeakPolarHBondContact O-CB 3.34Å; S406-N410 PolarHBondContact O-N 3.04Å; W408-N410 VanDerWaalsContact C-N 3.28Å; W408-N410 PolarHBondContact O-N 3.34Å; N410-L412 VanDerWaalsContact C-N 3.31Å; N410-L412 PolarHBondContact O-N 3.41Å; N410-K413 PolarHBondContact O-N 3.42Å; N410-S414 PolarHBondContact O-N 3.22Å |
| 411 | R | 52.7 | Low | 55 | Low | 174 Ų | 174 | 124.2 Ų | 124.2 | 66% | 0.657 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -61 | -39.7 | 172.7 | -73.8 | 176.5 | -166 | -106.2 | 3.2 | 112.1 | V407 W408 S414 H415 | V407-R411 WeakPolarHBondContact O-CG 3.34Å; V407-R411 PolarHBondContact O-N 3.03Å; W408-R411 PolarHBondContact O-N 3.3Å; R411-S414 PolarHBondContact O-N 2.95Å; R411-H415 PolarHBondContact O-N 3.34Å; R411-H415 VanDerWaalsContact O-N 3.12Å |
| 412 | L | 51.4 | Low | 52.8 | Low | 131 Ų | 131 | 123.3 Ų | 123.3 | 69% | 0.686 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -66.5 | -40.5 | -179.5 | -161.4 | 68.2 | 0 | 0 | 0 | 112.4 | W408 N410 H415 Y416 | W408-L412 PolarHBondContact O-N 3.38Å; N410-L412 VanDerWaalsContact C-N 3.31Å; N410-L412 PolarHBondContact O-N 3.41Å; L412-H415 PolarHBondContact O-N 3.12Å; L412-Y416 PolarHBondContact O-N 3.39Å |
| 413 | K | 47.8 | Very low | 50.9 | Low | 153 Ų | 153 | 128.6 Ų | 128.6 | 67% | 0.665 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -61.4 | -44.1 | 174.2 | -72.6 | 179.1 | 177.1 | -176.1 | 0 | 112.4 | K409 N410 H415 Y416 A417 | K409-K413 PolarHBondContact O-N 3.2Å; N410-K413 PolarHBondContact O-N 3.42Å; K413-H415 PolarHBondContact O-N 3.38Å; K413-Y416 PolarHBondContact O-N 3.21Å; K413-A417 PolarHBondContact O-N 3.47Å |
| 414 | S | 50.6 | Low | 49 | Very low | 80 Ų | 80 | 130.3 Ų | 130.3 | 56% | 0.559 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -59.7 | -44.5 | 176.3 | -179.1 | 0 | 0 | 0 | 0 | 112.3 | N410 R411 Y416 A417 R418 | N410-S414 PolarHBondContact O-N 3.22Å; R411-S414 PolarHBondContact O-N 2.95Å; S414-Y416 VanDerWaalsContact C-N 3.31Å; S414-Y416 PolarHBondContact O-N 2.89Å; S414-A417 PolarHBondContact O-N 3.02Å; S414-R418 PolarHBondContact O-N 3.11Å; S414-R418 VanDerWaalsContact O-N 3.11Å |
| 415 | H | 47.3 | Very low | 47.2 | Very low | 150 Ų | 150 | 133.1 Ų | 133.1 | 69% | 0.694 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -65.6 | -29.3 | -180 | -112.7 | -77.4 | 0 | 0 | 0 | 114.3 | R411 L412 K413 | R411-H415 PolarHBondContact O-N 3.34Å; R411-H415 VanDerWaalsContact O-N 3.12Å; L412-H415 PolarHBondContact O-N 3.12Å; K413-H415 PolarHBondContact O-N 3.38Å |
| 416 | Y | 41.9 | Very low | 45.3 | Very low | 191 Ų | 191 | 140.1 Ų | 140.1 | 75% | 0.749 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -76.1 | -44.5 | 176.6 | -136.5 | -95.4 | 0 | 0 | 0 | 111.5 | L412 K413 S414 R418 K419 | L412-Y416 PolarHBondContact O-N 3.39Å; K413-Y416 PolarHBondContact O-N 3.21Å; S414-Y416 VanDerWaalsContact C-N 3.31Å; S414-Y416 PolarHBondContact O-N 2.89Å; Y416-R418 PolarHBondContact O-N 3.39Å; Y416-K419 PolarHBondContact O-N 3Å |
| 417 | A | 46.7 | Very low | 45.2 | Very low | 72 Ų | 72 | 142.6 Ų | 142.6 | 60% | 0.595 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -62.1 | -40.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K413 S414 K419 | K413-A417 PolarHBondContact O-N 3.47Å; S414-A417 PolarHBondContact O-N 3.02Å; A417-K419 PolarHBondContact O-N 3Å |
| 418 | R | 43.3 | Very low | 43.4 | Very low | 202 Ų | 202 | 147.3 Ų | 147.3 | 76% | 0.762 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -14.5 | -178.1 | -161.8 | 64.8 | -179.9 | -167.7 | 3.2 | 114 | S414 Y416 | S414-R418 PolarHBondContact O-N 3.11Å; S414-R418 VanDerWaalsContact O-N 3.11Å; Y416-R418 PolarHBondContact O-N 3.39Å |
| 419 | K | 41.5 | Very low | 42.4 | Very low | 185 Ų | 185 | 146 Ų | 146 | 80% | 0.804 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | -7.6 | -174.9 | -154.3 | 175.7 | -179.6 | -176.1 | 0 | 114.6 | Y416 A417 | Y416-K419 PolarHBondContact O-N 3Å; A417-K419 PolarHBondContact O-N 3Å |
| 420 | I | 47.1 | Very low | 40.9 | Very low | 144 Ų | 144 | 146 Ų | 146 | 74% | 0.738 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -94.6 | -22.9 | -175.7 | -64.2 | -63.4 | 0 | 0 | 0 | 113.5 | ||
| 421 | L | 44 | Very low | 40.3 | Very low | 155 Ų | 155 | 146.6 Ų | 146.6 | 81% | 0.812 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -102.6 | 11.6 | -165.9 | -165.4 | 51.5 | 0 | 0 | 0 | 115.8 | ||
| 422 | C | 34.2 | Very low | 39 | Very low | 100 Ų | 100 | 143 Ų | 143 | 68% | 0.676 | 75% | 0.745 | S | S | * | * | trans | -132.2 | 54.1 | -174.8 | -61.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 423 | K | 34.3 | Very low | 37.7 | Very low | 200 Ų | 200 | 140.7 Ų | 140.7 | 87% | 0.87 | 75% | 0.745 | S | S | * | * | trans | -143.8 | 78.3 | 157.3 | -81.6 | -161.7 | 175.1 | -171.6 | 0 | 110.5 | ||||
| 424 | N | 34.3 | Very low | 36.8 | Very low | 159 Ų | 159 | 139.3 Ų | 139.3 | 85% | 0.85 | 75% | 0.749 | S | S | * | * | trans | -159.6 | 140.9 | 161.9 | -103.9 | -20.6 | 0 | 0 | 0 | 110.4 | ||||
| 425 | V | 28.9 | Very low | 35.6 | Very low | 144 Ų | 144 | 142.1 Ų | 142.1 | 87% | 0.873 | 75% | 0.753 | S | S | * | * | trans | 68.6 | 133.9 | 170 | -175.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 426 | M | 28.1 | Very low | 34.6 | Very low | 176 Ų | 176 | 145 Ų | 145 | 87% | 0.867 | 76% | 0.758 | S | S | * | * | trans | -112 | 164.5 | 168.5 | -103.9 | -104.2 | 121.7 | 0 | 0 | 109 | ||||
| 427 | P | 48.2 | Very low | 34 | Very low | 104 Ų | 104 | 142.8 Ų | 142.8 | 68% | 0.675 | 76% | 0.76 | S | S | * | * | trans | -95.7 | 169.9 | -149.2 | 37.8 | -38.8 | 0 | 0 | 0 | 115.5 | ||||
| 428 | K | 26.7 | Very low | 34 | Very low | 164 Ų | 164 | 144.8 Ų | 144.8 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | trans | -150.6 | 133.4 | 151.7 | -120.4 | -175.7 | 179.7 | -73.7 | 0 | 113.3 | ||||
| 429 | E | 26.5 | Very low | 33.3 | Very low | 151 Ų | 151 | 139.4 Ų | 139.4 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | trans | 52.8 | 127.8 | 148.5 | -79.6 | 130.6 | -141.4 | 0 | 0 | 125.1 | ||||
| 430 | T | 26 | Very low | 32.9 | Very low | 128 Ų | 128 | 135 Ų | 135 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | -66.5 | -176.5 | 158.7 | 43.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 431 | P | 45.1 | Very low | 32.1 | Very low | 116 Ų | 116 | 134.4 Ų | 134.4 | 75% | 0.753 | 76% | 0.757 | S | S | * | * | cis | -136.5 | -166.7 | 2.5 | 34.9 | -12.5 | 0 | 0 | 0 | 115.9 | ||||
| 432 | A | 24.1 | Very low | 31.5 | Very low | 97 Ų | 97 | 136.5 Ų | 136.5 | 80% | 0.802 | 75% | 0.754 | S | S | * | * | trans | 79.3 | 147.1 | 150.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 433 | A | 26 | Very low | 31.3 | Very low | 84 Ų | 84 | 137.6 Ų | 137.6 | 69% | 0.694 | 75% | 0.753 | S | S | * | * | cis | -167.9 | 179.9 | -18.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 434 | T | 28.5 | Very low | 31 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | trans | 84 | 99.6 | 149.2 | -50.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 435 | E | 24.6 | Very low | 31 | Very low | 139 Ų | 139 | 138.3 Ų | 138.3 | 65% | 0.65 | 75% | 0.745 | S | S | * | * | trans | 57.2 | 143.7 | 131.1 | -62.9 | -161.3 | 140.8 | 0 | 0 | 126.4 | ||||
| 436 | R | 26.5 | Very low | 31.2 | Very low | 210 Ų | 210 | 136 Ų | 136 | 79% | 0.792 | 74% | 0.741 | S | S | * | * | trans | 76.4 | 99.9 | 137.9 | -84 | -173.1 | -84.8 | 171.9 | -7.7 | 122.7 | ||||
| 437 | D | 30.1 | Very low | 31.4 | Very low | 146 Ų | 146 | 132.5 Ų | 132.5 | 78% | 0.781 | 74% | 0.74 | S | S | * | * | -48.8 | 161.6 | 126.9 | -91.1 | -53.9 | 0 | 0 | 0 | 112.4 | |||||
| 438 | P | 45.8 | Very low | 30.4 | Very low | 113 Ų | 113 | 131.3 Ų | 131.3 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | cis | -155.8 | 165.1 | 44.1 | 44 | -22.9 | 0 | 0 | 0 | 121.6 | ||||
| 439 | A | 28.6 | Very low | 30.8 | Very low | 89 Ų | 89 | 128.5 Ų | 128.5 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | trans | 67.7 | 147.5 | 134.4 | 0 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 440 | A | 32.5 | Very low | 31.1 | Very low | 92 Ų | 92 | 126.4 Ų | 126.4 | 76% | 0.76 | 75% | 0.752 | S | S | * | * | trans | 76.1 | 151.1 | 151.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 441 | E | 30.6 | Very low | 31.1 | Very low | 132 Ų | 132 | 126.5 Ų | 126.5 | 62% | 0.617 | 75% | 0.752 | S | S | * | * | cis | -163.5 | 154.1 | 8.7 | -176.6 | 64.8 | 176.7 | 0 | 0 | 112.8 | ||||
| 442 | R | 31.7 | Very low | 30.4 | Very low | 199 Ų | 199 | 128.5 Ų | 128.5 | 75% | 0.751 | 75% | 0.75 | S | S | * | * | trans | 76.7 | 157.3 | 153.9 | -92.3 | 155.2 | -139.4 | -170 | 6.5 | 121.3 | ||||
| 443 | L | 29.3 | Very low | 30.9 | Very low | 124 Ų | 124 | 131 Ų | 131 | 65% | 0.649 | 75% | 0.748 | S | S | * | * | cis | -155.4 | 144 | 25.8 | -157.2 | 110.8 | 0 | 0 | 0 | 116.1 | ||||
| 444 | R | 28 | Very low | 31.6 | Very low | 203 Ų | 203 | 132.7 Ų | 132.7 | 77% | 0.766 | 75% | 0.752 | S | S | * | * | trans | 65.7 | 116.6 | 156.1 | -77.8 | -176.9 | -176.2 | 148.2 | 3.4 | 125 | ||||
| 445 | Q | 35.3 | Very low | 31.9 | Very low | 170 Ų | 170 | 132.8 Ų | 132.8 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | 38.1 | 144.5 | 115.3 | -68 | 166.7 | -50 | 0 | 0 | 121.6 | |||||
| 446 | A | 33.6 | Very low | 32.2 | Very low | 95 Ų | 95 | 134 Ų | 134 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | cis | -171.5 | -164.8 | -12 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 447 | A | 31.9 | Very low | 32.2 | Very low | 103 Ų | 103 | 129.3 Ų | 129.3 | 85% | 0.851 | 76% | 0.756 | S | S | * | * | cis | -162.6 | 176.8 | 1.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 448 | G | 28.1 | Very low | 32 | Very low | 80 Ų | 80 | 127.6 Ų | 127.6 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | trans | 132.3 | 144.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 449 | A | 33.4 | Very low | 32.2 | Very low | 104 Ų | 104 | 127.6 Ų | 127.6 | 86% | 0.86 | 76% | 0.755 | S | S | * | * | trans | -160.1 | -178.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 450 | V | 33.3 | Very low | 32.1 | Very low | 108 Ų | 108 | 131.1 Ų | 131.1 | 66% | 0.655 | 76% | 0.761 | S | S | * | * | cis | -159.8 | 152 | 6.5 | 77.1 | 0 | 0 | 0 | 0 | 113 | F452 | V450-F452 HydrophobicContact CG1-CD2 4.43Å; V450-F452 HydrophobicContact CG2-CD2 3.87Å; V450-F452 HydrophobicContact CG2-CE2 3.91Å | ||
| 451 | T | 26.6 | Very low | 32.2 | Very low | 129 Ų | 129 | 133.8 Ų | 133.8 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | trans | -159.9 | 156.6 | 141.5 | 44.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 452 | F | 28.9 | Very low | 32.6 | Very low | 159 Ų | 159 | 133.3 Ų | 133.3 | 70% | 0.697 | 77% | 0.769 | S | S | * | * | cis | 89 | 94.7 | 14.1 | -68.1 | -76.9 | 0 | 0 | 0 | 117.1 | V450 | V450-F452 HydrophobicContact CG1-CD2 4.43Å; V450-F452 HydrophobicContact CG2-CD2 3.87Å; V450-F452 HydrophobicContact CG2-CE2 3.91Å | ||
| 453 | I | 36.1 | Very low | 32.5 | Very low | 148 Ų | 148 | 129.4 Ų | 129.4 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | cis | 72.1 | 131.7 | 49.2 | -58.8 | 177.7 | 0 | 0 | 0 | 110.5 | ||||
| 454 | P | 41.2 | Very low | 32.4 | Very low | 120 Ų | 120 | 130.3 Ų | 130.3 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | cis | -141 | -171.2 | 43.8 | 34.9 | -11.3 | 0 | 0 | 0 | 119.1 | ||||
| 455 | T | 33.1 | Very low | 32.5 | Very low | 125 Ų | 125 | 128.2 Ų | 128.2 | 77% | 0.767 | 78% | 0.775 | S | S | * | * | trans | -79.3 | 177.2 | 170.1 | 49.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 456 | Q | 31.8 | Very low | 32.7 | Very low | 166 Ų | 166 | 125.8 Ų | 125.8 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | trans | 163.4 | 147.9 | 130.9 | -81.5 | -82.7 | 40.1 | 0 | 0 | 113.6 | ||||
| 457 | C | 26.2 | Very low | 32.4 | Very low | 110 Ų | 110 | 130.7 Ų | 130.7 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | trans | 40.2 | 145.4 | 150.7 | -62.8 | 0 | 0 | 0 | 0 | 126.4 | ||||
| 458 | S | 26.2 | Very low | 32.4 | Very low | 111 Ų | 111 | 133.7 Ų | 133.7 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | -83.3 | -172.6 | 153.8 | -38.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 459 | P | 48.9 | Very low | 32.6 | Very low | 112 Ų | 112 | 141.3 Ų | 141.3 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | cis | -140.2 | -146.7 | 0.9 | 35.4 | -9.5 | 0 | 0 | 0 | 113.9 | ||||
| 460 | L | 28.3 | Very low | 32.3 | Very low | 163 Ų | 163 | 139.6 Ų | 139.6 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | 95.7 | 152.3 | 162.8 | -103.7 | 71.5 | 0 | 0 | 0 | 120.9 | ||||
| 461 | I | 33.8 | Very low | 32.1 | Very low | 149 Ų | 149 | 142.8 Ų | 142.8 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | trans | -129.8 | 132.2 | -170.3 | -63.4 | 160.4 | 0 | 0 | 0 | 108.3 | ||||
| 462 | P | 39.1 | Very low | 32.6 | Very low | 121 Ų | 121 | 140 Ų | 140 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | -141.2 | 163.7 | 126.8 | 16.3 | 6.1 | 0 | 0 | 0 | 112.2 | |||||
| 463 | V | 29.1 | Very low | 32.9 | Very low | 117 Ų | 117 | 139 Ų | 139 | 71% | 0.709 | 79% | 0.793 | S | S | * | * | cis | 159.2 | 166.7 | -15.1 | 137.7 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 464 | L | 27.3 | Very low | 32.9 | Very low | 144 Ų | 144 | 142.2 Ų | 142.2 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | trans | 71.6 | 99.2 | 168.5 | -80 | 161.8 | 0 | 0 | 0 | 120 | ||||
| 465 | L | 30.4 | Very low | 32.6 | Very low | 158 Ų | 158 | 141.3 Ų | 141.3 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | 43.1 | 156.2 | 115.1 | -85.3 | 84.6 | 0 | 0 | 0 | 123.2 | |||||
| 466 | P | 38.3 | Very low | 32.6 | Very low | 120 Ų | 120 | 140.7 Ų | 140.7 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | trans | -94.8 | 153.4 | -163.5 | 37.7 | -36.3 | 0 | 0 | 0 | 115.3 | ||||
| 467 | Q | 28.8 | Very low | 32.5 | Very low | 197 Ų | 197 | 143.3 Ų | 143.3 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | trans | -112.5 | 155.7 | 169.1 | -166.7 | 159.7 | -33.1 | 0 | 0 | 111.6 | ||||
| 468 | Q | 32.3 | Very low | 32.8 | Very low | 167 Ų | 167 | 145.5 Ų | 145.5 | 78% | 0.78 | 80% | 0.804 | S | S | * | * | trans | -116.6 | 168.4 | -160.1 | -93 | -77.4 | -2.8 | 0 | 0 | 114.3 | ||||
| 469 | R | 30.3 | Very low | 33.1 | Very low | 240 Ų | 240 | 147 Ų | 147 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | trans | 80.2 | 139 | 175.4 | -53.2 | -179.7 | 175.6 | -172.8 | -1.9 | 116.2 | ||||
| 470 | G | 28.1 | Very low | 32.4 | Very low | 67 Ų | 67 | 147.6 Ų | 147.6 | 69% | 0.691 | 80% | 0.802 | S | S | * | * | cis | 176.4 | -165.5 | -4.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 471 | N | 30.1 | Very low | 32.4 | Very low | 175 Ų | 175 | 144 Ų | 144 | 94% | 0.936 | 79% | 0.79 | S | S | * | * | trans | 74.4 | 136.4 | -178.3 | -64.4 | -1 | 0 | 0 | 0 | 117.2 | ||||
| 472 | G | 35.3 | Very low | 32.5 | Very low | 71 Ų | 71 | 142 Ų | 142 | 73% | 0.732 | 79% | 0.79 | S | S | * | * | trans | -97.1 | -146.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 473 | P | 36.5 | Very low | 32 | Very low | 137 Ų | 137 | 145 Ų | 145 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | cis | -118.5 | -177.6 | 46.9 | 40.2 | -33.7 | 0 | 0 | 0 | 116.1 | ||||
| 474 | Y | 35.9 | Very low | 32.2 | Very low | 217 Ų | 217 | 150.9 Ų | 150.9 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | trans | -85.6 | 153.2 | -171 | -114.7 | -106.1 | 0 | 0 | 0 | 114.6 | V476 | Y474-V476 HydrophobicContact CD1-CG2 3.94Å; Y474-V476 HydrophobicContact CE1-CG2 4.41Å | ||
| 475 | A | 34.4 | Very low | 32.1 | Very low | 100 Ų | 100 | 150 Ų | 150 | 83% | 0.826 | 81% | 0.813 | S | S | * | * | trans | -140.2 | 126.7 | 152.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 476 | V | 33 | Very low | 32.1 | Very low | 112 Ų | 112 | 150 Ų | 150 | 68% | 0.679 | 81% | 0.814 | S | S | * | * | trans | -89.8 | 130.5 | -172.5 | 178.7 | 0 | 0 | 0 | 0 | 110.8 | Y474 L478 | Y474-V476 HydrophobicContact CD1-CG2 3.94Å; Y474-V476 HydrophobicContact CE1-CG2 4.41Å; V476-L478 HydrophobicContact CG1-CG 4.24Å | ||
| 477 | Y | 29.4 | Very low | 31.7 | Very low | 221 Ų | 221 | 148 Ų | 148 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | trans | -100.1 | 110.8 | 170.1 | -140.5 | -88.6 | 0 | 0 | 0 | 109.5 | ||||
| 478 | L | 32.7 | Very low | 31.9 | Very low | 157 Ų | 157 | 146.7 Ų | 146.7 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | trans | -95 | 130.3 | 174.4 | -84.4 | 167.1 | 0 | 0 | 0 | 110.4 | V476 | V476-L478 HydrophobicContact CG1-CG 4.24Š| ||
| 479 | H | 33.5 | Very low | 31.9 | Very low | 141 Ų | 141 | 144.6 Ų | 144.6 | 65% | 0.653 | 81% | 0.81 | S | S | * | * | trans | -131.1 | 106.8 | 179.8 | -176.2 | -72.5 | 0 | 0 | 0 | 110.6 | S481 | H479-S481 PolarHBondContact CE1-OG 3.34Å; H479-S481 VanDerWaalsContact CE1-OG 3.31Å; H479-S481 PolarHBondContact ND1-OG 3.19Å; H479-S481 VanDerWaalsContact ND1-OG 3.09Å | ||
| 480 | P | 33.3 | Very low | 32 | Very low | 125 Ų | 125 | 143.7 Ų | 143.7 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | trans | -83.6 | 119.7 | 169.4 | 31.6 | -29.6 | 0 | 0 | 0 | 110.2 | ||||
| 481 | S | 28.9 | Very low | 32.4 | Very low | 87 Ų | 87 | 146.5 Ų | 146.5 | 61% | 0.608 | 81% | 0.812 | S | S | * | * | trans | -94.5 | 135.6 | -178.4 | -61.1 | 0 | 0 | 0 | 0 | 112.6 | H479 | H479-S481 PolarHBondContact CE1-OG 3.34Å; H479-S481 VanDerWaalsContact CE1-OG 3.31Å; H479-S481 PolarHBondContact ND1-OG 3.19Å; H479-S481 VanDerWaalsContact ND1-OG 3.09Å | ||
| 482 | S | 35.9 | Very low | 32.6 | Very low | 109 Ų | 109 | 146.6 Ų | 146.6 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | trans | 41.1 | 121.2 | 145.5 | 62.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 483 | L | 29.2 | Very low | 32.9 | Very low | 182 Ų | 182 | 148.9 Ų | 148.9 | 95% | 0.953 | 81% | 0.809 | S | S | * | * | trans | -123.6 | 147.2 | 142.2 | -94.2 | 171.2 | 0 | 0 | 0 | 110.1 | ||||
| 484 | R | 32 | Very low | 33.1 | Very low | 242 Ų | 242 | 149.3 Ų | 149.3 | 91% | 0.913 | 81% | 0.81 | S | S | * | * | trans | -98.5 | 153.9 | 175.3 | -48.5 | -177.5 | -162 | 175.4 | 5.8 | 110.2 | ||||
| 485 | S | 26.5 | Very low | 33.1 | Very low | 125 Ų | 125 | 144.3 Ų | 144.3 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -144.3 | 163.6 | 139.1 | 63.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 486 | N | 30.4 | Very low | 33.1 | Very low | 159 Ų | 159 | 147.4 Ų | 147.4 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | trans | -147.7 | 146.9 | -169.3 | -159.8 | 4.1 | 0 | 0 | 0 | 111.4 | ||||
| 487 | A | 29.4 | Very low | 33.2 | Very low | 78 Ų | 78 | 146.4 Ų | 146.4 | 65% | 0.645 | 81% | 0.811 | S | S | * | * | trans | 52.9 | 123.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 488 | L | 32.1 | Very low | 33.3 | Very low | 168 Ų | 168 | 142 Ų | 142 | 88% | 0.88 | 81% | 0.808 | S | S | * | * | -179.2 | 158.6 | 104.2 | -100.1 | 162.2 | 0 | 0 | 0 | 115.1 | |||||
| 489 | S | 32.6 | Very low | 33.3 | Very low | 123 Ų | 123 | 144.3 Ų | 144.3 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | 76 | 164.5 | 164.7 | 84 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 490 | R | 33.3 | Very low | 33.3 | Very low | 222 Ų | 222 | 143.2 Ų | 143.2 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | trans | -155.7 | 131.3 | -155 | 168.8 | -169.6 | -179.9 | -172.9 | 3.9 | 109.8 | ||||
| 491 | P | 36.1 | Very low | 33.2 | Very low | 125 Ų | 125 | 143.8 Ų | 143.8 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -68 | 137 | 172.4 | -18.6 | 32 | 0 | 0 | 0 | 112.2 | ||
| 492 | Q | 34.9 | Very low | 33.5 | Very low | 177 Ų | 177 | 146 Ų | 146 | 83% | 0.827 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 151.1 | 167.8 | -75.1 | -170.2 | -9.6 | 0 | 0 | 111.5 | ||
| 493 | P | 41.5 | Very low | 33.3 | Very low | 119 Ų | 119 | 149.5 Ų | 149.5 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 128.3 | 161.8 | 33.5 | -29.5 | 0 | 0 | 0 | 110.3 | ||
| 494 | T | 40.3 | Very low | 33.6 | Very low | 146 Ų | 146 | 147.9 Ų | 147.9 | 90% | 0.896 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 130.1 | 172.2 | 38 | 0 | 0 | 0 | 0 | 111.2 | ||
| 495 | S | 34.5 | Very low | 33.5 | Very low | 113 Ų | 113 | 143.5 Ų | 143.5 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | -109.4 | 140.6 | 170.2 | 57.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 496 | L | 36.4 | Very low | 33.9 | Very low | 165 Ų | 165 | 144.9 Ų | 144.9 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | -140.6 | 95.8 | 166.1 | -113 | 171.2 | 0 | 0 | 0 | 108.5 | ||||
| 497 | A | 34.1 | Very low | 33.9 | Very low | 90 Ų | 90 | 143.7 Ų | 143.7 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | trans | -102 | 96.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 498 | V | 31 | Very low | 34 | Very low | 130 Ų | 130 | 142.9 Ų | 142.9 | 79% | 0.788 | 79% | 0.789 | S | S | * | * | trans | -77.8 | 121.6 | 169.8 | 179.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 499 | R | 33 | Very low | 33.9 | Very low | 204 Ų | 204 | 144.1 Ų | 144.1 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | trans | -85.7 | 111.6 | -177.8 | -64.4 | 171.2 | 63.8 | 107.3 | -1.5 | 109.9 | M501 | R499-M501 PolarHBondContact O-N 2.97Š| ||
| 500 | S | 33.9 | Very low | 33.7 | Very low | 119 Ų | 119 | 143.5 Ų | 143.5 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | -71.3 | 97.9 | 165.2 | -59.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 501 | M | 32.1 | Very low | 34 | Very low | 137 Ų | 137 | 138 Ų | 138 | 68% | 0.675 | 78% | 0.779 | S | S | * | * | trans | -79.1 | 113.1 | 168.3 | -72.3 | -81.4 | -68.1 | 0 | 0 | 109.1 | R499 F503 | R499-M501 PolarHBondContact O-N 2.97Å; M501-F503 HydrophobicContact CE-CE2 4.11Å | ||
| 502 | T | 33.8 | Very low | 33.6 | Very low | 133 Ų | 133 | 137.2 Ų | 137.2 | 82% | 0.816 | 78% | 0.777 | S | S | * | * | trans | -98.1 | 114.1 | 162.7 | 49.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 503 | F | 32.8 | Very low | 33.3 | Very low | 183 Ų | 183 | 133.1 Ų | 133.1 | 80% | 0.803 | 77% | 0.773 | S | S | * | * | trans | -75.5 | 131.7 | 167.1 | -104.7 | -99.7 | 0 | 0 | 0 | 109.1 | M501 | M501-F503 HydrophobicContact CE-CE2 4.11Š| ||
| 504 | E | 35.4 | Very low | 33.3 | Very low | 148 Ų | 148 | 132.8 Ų | 132.8 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | trans | -80.7 | 138 | 150.6 | -73.6 | -137.3 | 142.1 | 0 | 0 | 108 | K506 | E504-K506 VanDerWaalsContact OE2-CE 3.3Å; E504-K506 WeakPolarHBondContact OE2-CE 3.46Å; E504-K506 IonicContact OE2-NZ 2.69Å; E504-K506 PolarHBondContact OE2-NZ 3.43Å | ||
| 505 | D | 28.5 | Very low | 32.7 | Very low | 149 Ų | 149 | 131 Ų | 131 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | trans | -121.4 | 144 | 159.5 | -169.3 | 8.9 | 0 | 0 | 0 | 108.8 | ||||
| 506 | K | 35.8 | Very low | 32.4 | Very low | 155 Ų | 155 | 129.8 Ų | 129.8 | 67% | 0.674 | 76% | 0.762 | S | S | * | * | trans | -145.3 | 85.1 | -173 | -84 | -178.5 | 169.3 | 143.8 | 0 | 111.3 | E504 | E504-K506 VanDerWaalsContact OE2-CE 3.3Å; E504-K506 WeakPolarHBondContact OE2-CE 3.46Å; E504-K506 IonicContact OE2-NZ 2.69Å; E504-K506 PolarHBondContact OE2-NZ 3.43Å | ||
| 507 | T | 30.5 | Very low | 32 | Very low | 134 Ų | 134 | 126.3 Ų | 126.3 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | trans | -174.4 | 135.1 | 148.4 | -76.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 508 | G | 30.6 | Very low | 31.9 | Very low | 61 Ų | 61 | 131.4 Ų | 131.4 | 63% | 0.629 | 76% | 0.762 | S | S | * | * | cis | 167.2 | -176.3 | -4.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 509 | Q | 30.5 | Very low | 31.8 | Very low | 194 Ų | 194 | 130.4 Ų | 130.4 | 91% | 0.907 | 76% | 0.76 | S | S | * | * | trans | 67.9 | 136.4 | 168.8 | -52.3 | -177.1 | 16.7 | 0 | 0 | 118.2 | ||||
| 510 | S | 28 | Very low | 31.9 | Very low | 109 Ų | 109 | 131.9 Ų | 131.9 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | trans | -99.1 | 153 | 158.9 | 176 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 511 | P | 39.5 | Very low | 32.4 | Very low | 106 Ų | 106 | 131.4 Ų | 131.4 | 69% | 0.688 | 76% | 0.76 | S | S | * | * | -143.8 | 171.3 | 114.2 | 38.7 | -26.4 | 0 | 0 | 0 | 115.4 | |||||
| 512 | S | 27.9 | Very low | 32.3 | Very low | 109 Ų | 109 | 129.4 Ų | 129.4 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | trans | 62.1 | 120.1 | 155.8 | 56.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 513 | A | 29.7 | Very low | 32 | Very low | 92 Ų | 92 | 128.4 Ų | 128.4 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | trans | -79.1 | 165.7 | 142.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 514 | P | 41.4 | Very low | 31.9 | Very low | 111 Ų | 111 | 129.9 Ų | 129.9 | 72% | 0.721 | 76% | 0.764 | S | S | * | * | -148.1 | 170.6 | 92.7 | 41.2 | -26.2 | 0 | 0 | 0 | 115.6 | |||||
| 515 | S | 27.9 | Very low | 31.4 | Very low | 108 Ų | 108 | 130.5 Ų | 130.5 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | trans | 35.9 | 152.3 | 142.6 | 64 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 516 | A | 28.2 | Very low | 31.4 | Very low | 89 Ų | 89 | 128.3 Ų | 128.3 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | cis | 177.8 | 166.7 | -17.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 517 | A | 28.3 | Very low | 30.9 | Very low | 91 Ų | 91 | 128.8 Ų | 128.8 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | trans | 64.5 | 162.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 518 | K | 31.4 | Very low | 30.7 | Very low | 198 Ų | 198 | 125.4 Ų | 125.4 | 86% | 0.861 | 77% | 0.765 | S | S | * | * | cis | -144.9 | 173.8 | -14.9 | -140.7 | 94.6 | 172.3 | -172.4 | 0 | 104.6 | ||||
| 519 | S | 29.1 | Very low | 30.4 | Very low | 108 Ų | 108 | 128.1 Ų | 128.1 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | cis | -159.7 | 157.2 | 10.1 | 48.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 520 | R | 34.8 | Very low | 31.2 | Very low | 236 Ų | 236 | 124 Ų | 124 | 89% | 0.891 | 76% | 0.764 | S | S | * | * | trans | -145.9 | 139.4 | 159.2 | 174 | -179.2 | 171.6 | -162.8 | -2.6 | 109.1 | ||||
| 521 | P | 44.5 | Very low | 31.2 | Very low | 109 Ų | 109 | 126.1 Ų | 126.1 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | trans | -120.2 | -177.9 | 158.5 | 38.1 | -26.7 | 0 | 0 | 0 | 112.2 | ||||
| 522 | A | 30.1 | Very low | 30.7 | Very low | 94 Ų | 94 | 126.8 Ų | 126.8 | 78% | 0.777 | 77% | 0.768 | S | S | * | * | -171.5 | 134.3 | -51.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 523 | S | 26.2 | Very low | 30.7 | Very low | 112 Ų | 112 | 128.4 Ų | 128.4 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | trans | -164.7 | 109.2 | 158.5 | 33.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 524 | R | 30.8 | Very low | 30.7 | Very low | 215 Ų | 215 | 133 Ų | 133 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | 74.9 | 104.8 | 92.3 | -72 | -155.8 | 153.7 | 147.6 | 3.9 | 112.6 | |||||
| 525 | E | 26 | Very low | 30 | Very low | 160 Ų | 160 | 138 Ų | 138 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | 74.9 | 138.3 | 84.8 | -73.4 | 166.8 | 155.2 | 0 | 0 | 112 | |||||
| 526 | S | 28.3 | Very low | 29.9 | Very low | 104 Ų | 104 | 139.8 Ų | 139.8 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | cis | -170.8 | 170.9 | -21.1 | 64.5 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 527 | D | 25.6 | Very low | 29.8 | Very low | 164 Ų | 164 | 146.3 Ų | 146.3 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | cis | -156.9 | -164.5 | -5.1 | -148.3 | -84.7 | 0 | 0 | 0 | 108.8 | ||||
| 528 | G | 26 | Very low | 29.9 | Very low | 63 Ų | 63 | 146.4 Ų | 146.4 | 65% | 0.649 | 77% | 0.772 | S | S | * | * | trans | 132.5 | 110.5 | 153 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 529 | S | 24.8 | Very low | 29.5 | Very low | 119 Ų | 119 | 142.8 Ų | 142.8 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | trans | -135 | 170.3 | 155.5 | -79.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 530 | P | 46.5 | Very low | 29.4 | Very low | 107 Ų | 107 | 142 Ų | 142 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | cis | -151.7 | -179.8 | 23.4 | 46.2 | -26.2 | 0 | 0 | 0 | 118.9 | ||||
| 531 | L | 27.7 | Very low | 29 | Very low | 153 Ų | 153 | 137.1 Ų | 137.1 | 80% | 0.801 | 76% | 0.762 | S | S | * | * | trans | 62.1 | 162.1 | 139.8 | -105.6 | 82.3 | 0 | 0 | 0 | 125.4 | ||||
| 532 | T | 29.3 | Very low | 28.2 | Very low | 120 Ų | 120 | 136.6 Ų | 136.6 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | trans | 89 | 138.8 | 164.5 | 74.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 533 | L | 29.1 | Very low | 28.1 | Very low | 143 Ų | 143 | 140.7 Ų | 140.7 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | cis | -160.1 | 148.8 | -6.4 | -121.6 | 169.9 | 0 | 0 | 0 | 113.3 | ||||
| 534 | K | 28.9 | Very low | 28.2 | Very low | 190 Ų | 190 | 140.9 Ų | 140.9 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | trans | 63.3 | 139 | 173.4 | -73.9 | 161.7 | 178.5 | 170.3 | 0 | 114.1 | ||||
| 535 | R | 26.2 | Very low | 28.2 | Very low | 214 Ų | 214 | 135.9 Ų | 135.9 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | cis | -161 | 167.7 | 18.5 | -123.2 | 172.6 | 147.5 | 167.7 | -9.1 | 107.1 | ||||
| 536 | Q | 26.4 | Very low | 29.5 | Very low | 146 Ų | 146 | 133.8 Ų | 133.8 | 68% | 0.682 | 77% | 0.769 | S | S | * | * | cis | -157.8 | -176.5 | -2.1 | -157.7 | 169.6 | -115.8 | 0 | 0 | 110.1 | ||||
| 537 | R | 25.8 | Very low | 29.5 | Very low | 226 Ų | 226 | 133.9 Ų | 133.9 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | trans | -45.8 | 156.9 | 164.8 | -73.9 | 178.8 | 177.4 | 167.2 | -2.4 | 116.1 | ||||
| 538 | S | 29.8 | Very low | 29.7 | Very low | 93 Ų | 93 | 136 Ų | 136 | 65% | 0.65 | 77% | 0.771 | S | S | * | * | cis | -176 | 146.8 | -9.2 | 48.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 539 | C | 23.2 | Very low | 29.7 | Very low | 122 Ų | 122 | 137.5 Ų | 137.5 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | trans | 66.2 | 146.8 | 156.3 | -62.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 540 | S | 27.7 | Very low | 29.8 | Very low | 92 Ų | 92 | 143.8 Ų | 143.8 | 64% | 0.643 | 78% | 0.783 | S | S | * | * | cis | -174.6 | 137.3 | -16.3 | 48.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 541 | T | 26.1 | Very low | 29.3 | Very low | 134 Ų | 134 | 149 Ų | 149 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | 57.3 | 152.1 | 145.7 | 51.9 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 542 | A | 28.8 | Very low | 29.8 | Very low | 97 Ų | 97 | 147.6 Ų | 147.6 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | cis | -165.3 | -166.8 | -13.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 543 | E | 27 | Very low | 30 | Very low | 181 Ų | 181 | 148.1 Ų | 148.1 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | -93.5 | 166.8 | -164.2 | -50.1 | 175.3 | 106.9 | 0 | 0 | 116.9 | ||||
| 544 | S | 27.4 | Very low | 31 | Very low | 116 Ų | 116 | 147.2 Ų | 147.2 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | trans | 80.3 | 148.9 | 141.6 | 78.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 545 | S | 32 | Very low | 31 | Very low | 110 Ų | 110 | 145 Ų | 145 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -102.1 | 175.5 | 164.7 | -50.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 546 | P | 53.3 | Low | 31.1 | Very low | 116 Ų | 116 | 145 Ų | 145 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | cis | -146.6 | -168.6 | 11.3 | 41.8 | -20.2 | 0 | 0 | 0 | 117.1 | ||||
| 547 | S | 28.8 | Very low | 31.3 | Very low | 106 Ų | 106 | 146.9 Ų | 146.9 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | trans | 125.6 | 146.3 | 132.8 | 79.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 548 | K | 28.8 | Very low | 31.3 | Very low | 207 Ų | 207 | 141.9 Ų | 141.9 | 90% | 0.9 | 79% | 0.794 | S | S | * | * | trans | 30.8 | 130.6 | 157.9 | -65.8 | 175.2 | 176.5 | 172.3 | 0 | 119.4 | ||||
| 549 | A | 26.6 | Very low | 31.1 | Very low | 95 Ų | 95 | 146.3 Ų | 146.3 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | 180 | 159.3 | 60.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 550 | R | 27.1 | Very low | 31.3 | Very low | 251 Ų | 251 | 146.2 Ų | 146.2 | 95% | 0.947 | 80% | 0.797 | S | S | * | * | trans | 63.8 | 146.6 | 152 | -117.9 | 178.3 | -174.8 | -178.3 | 0.2 | 122.5 | ||||
| 551 | R | 34.8 | Very low | 31.3 | Very low | 216 Ų | 216 | 147 Ų | 147 | 82% | 0.815 | 80% | 0.802 | S | S | * | * | trans | -92.5 | 170.8 | 165.9 | -44.4 | 177.8 | -177.1 | 164.9 | -1.7 | 110.3 | ||||
| 552 | P | 39 | Very low | 31.3 | Very low | 124 Ų | 124 | 148.2 Ų | 148.2 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | -149 | 164.5 | 78.4 | 41.4 | -24.3 | 0 | 0 | 0 | 117.2 | |||||
| 553 | D | 33.2 | Very low | 31.1 | Very low | 132 Ų | 132 | 152.4 Ų | 152.4 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | trans | -77.7 | 164.9 | 158.2 | -45.1 | -91.9 | 0 | 0 | 0 | 110.7 | ||||
| 554 | P | 49.7 | Very low | 31.1 | Very low | 123 Ų | 123 | 147.5 Ų | 147.5 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | -151.1 | 172.2 | 91.8 | 39.3 | -21.4 | 0 | 0 | 0 | 117.1 | |||||
| 555 | N | 29.2 | Very low | 31.1 | Very low | 145 Ų | 145 | 145.6 Ų | 145.6 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | trans | -69.1 | 156.9 | 169.6 | -95 | -100.5 | 0 | 0 | 0 | 113.3 | ||||
| 556 | F | 28.8 | Very low | 30.9 | Very low | 212 Ų | 212 | 146.1 Ų | 146.1 | 93% | 0.93 | 80% | 0.801 | S | S | * | * | trans | -149.2 | 162.9 | 137.1 | -109.2 | -75.3 | 0 | 0 | 0 | 112.2 | ||||
| 557 | K | 29.6 | Very low | 29.7 | Very low | 187 Ų | 187 | 149.7 Ų | 149.7 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | trans | -146.5 | 159.3 | -166.8 | -176.2 | -179.3 | -176.9 | -179.2 | 0 | 108.8 | ||||
| 558 | V | 26.5 | Very low | 29.7 | Very low | 120 Ų | 120 | 151.5 Ų | 151.5 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | 137.9 | 110.9 | 152.1 | 165.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 559 | K | 26.1 | Very low | 29.8 | Very low | 186 Ų | 186 | 148 Ų | 148 | 81% | 0.809 | 81% | 0.805 | S | S | * | * | 173.9 | 123.2 | 126.2 | -97.7 | 143.4 | -176.4 | 179.8 | 0 | 109.2 | |||||
| 560 | T | 27.4 | Very low | 29.8 | Very low | 120 Ų | 120 | 151.8 Ų | 151.8 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | 52.9 | 134.4 | 80.8 | 28.8 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 561 | C | 27.3 | Very low | 29.8 | Very low | 110 Ų | 110 | 146.6 Ų | 146.6 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | cis | -142.5 | 177.5 | 21.1 | -98.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 562 | M | 26.2 | Very low | 29.3 | Very low | 159 Ų | 159 | 143.6 Ų | 143.6 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | trans | -15.5 | 169.7 | 155 | -36.7 | -55.1 | -153.2 | 0 | 0 | 119.9 | ||||
| 563 | E | 24.6 | Very low | 28.8 | Very low | 185 Ų | 185 | 143.9 Ų | 143.9 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | cis | -161.3 | 177.2 | 11.5 | -147.1 | 164.2 | 129.2 | 0 | 0 | 112.5 | ||||
| 564 | G | 27.1 | Very low | 28.4 | Very low | 78 Ų | 78 | 143.9 Ų | 143.9 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | 93 | 149.1 | 160.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 565 | G | 27 | Very low | 27.2 | Very low | 75 Ų | 75 | 143.6 Ų | 143.6 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | trans | 179.7 | -173.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 566 | C | 28 | Very low | 27.1 | Very low | 121 Ų | 121 | 145.4 Ų | 145.4 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | 65.4 | 118.6 | 174.7 | -158.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 567 | H | 28.3 | Very low | 27.1 | Very low | 191 Ų | 191 | 142.5 Ų | 142.5 | 88% | 0.884 | 77% | 0.773 | S | S | * | * | trans | -157 | 141.1 | 132.6 | -106.7 | -72.9 | 0 | 0 | 0 | 109.7 | ||||
| 568 | D | 29.2 | Very low | 27.1 | Very low | 144 Ų | 144 | 140.4 Ų | 140.4 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | trans | -120.3 | 120.9 | 175.4 | 172.9 | 27.2 | 0 | 0 | 0 | 109.2 | ||||
| 569 | V | 30.5 | Very low | 27 | Very low | 134 Ų | 134 | 138.6 Ų | 138.6 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | trans | -144.8 | 142.8 | 168.9 | -173.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 570 | K | 26.7 | Very low | 27 | Very low | 174 Ų | 174 | 138.1 Ų | 138.1 | 76% | 0.757 | 76% | 0.761 | S | S | * | * | trans | -116.4 | 145.2 | -168.5 | 177.1 | -177.9 | -177 | 175.4 | 0 | 110 | ||||
| 571 | L | 27 | Very low | 27 | Very low | 143 Ų | 143 | 142 Ų | 142 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | trans | 160.3 | 145.1 | 132.6 | -83.2 | 161.2 | 0 | 0 | 0 | 115.1 | ||||
| 572 | H | 24.6 | Very low | 27 | Very low | 152 Ų | 152 | 142.2 Ų | 142.2 | 70% | 0.704 | 76% | 0.757 | S | S | * | * | trans | 62.6 | 100 | 148.5 | -83.7 | 70.1 | 0 | 0 | 0 | 124.2 | ||||
| 573 | L | 27.2 | Very low | 27 | Very low | 131 Ų | 131 | 143.1 Ų | 143.1 | 69% | 0.686 | 76% | 0.76 | S | S | * | * | 52.8 | 122.9 | 114.8 | -82.5 | 165.3 | 0 | 0 | 0 | 123.2 | |||||
| 574 | N | 24.8 | Very low | 27.2 | Very low | 131 Ų | 131 | 139.9 Ų | 139.9 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | 102.7 | 121.2 | 128.9 | -95.1 | -11.1 | 0 | 0 | 0 | 123.3 | |||||
| 575 | T | 25.2 | Very low | 27.3 | Very low | 117 Ų | 117 | 144.1 Ų | 144.1 | 72% | 0.718 | 76% | 0.756 | S | S | * | * | trans | 74 | 121.3 | 140.2 | 50.9 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 576 | K | 27.5 | Very low | 27.7 | Very low | 183 Ų | 183 | 146.3 Ų | 146.3 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | trans | 82.7 | 116.9 | 139 | -78.1 | -175.6 | 175.1 | -179.3 | 0 | 122.1 | ||||
| 577 | L | 27.9 | Very low | 28.2 | Very low | 152 Ų | 152 | 146.5 Ų | 146.5 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | trans | 71.3 | 159.4 | 141.2 | -56.8 | 171.3 | 0 | 0 | 0 | 116.5 | ||||
| 578 | L | 29.8 | Very low | 28.3 | Very low | 142 Ų | 142 | 142.5 Ų | 142.5 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | cis | -149.2 | 173.1 | 11.3 | -167.9 | 56.3 | 0 | 0 | 0 | 112.6 | ||||
| 579 | S | 24.6 | Very low | 28.3 | Very low | 82 Ų | 82 | 139.2 Ų | 139.2 | 57% | 0.573 | 75% | 0.754 | S | S | * | * | trans | 93.8 | 145.7 | 145.4 | 82.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 580 | F | 26.3 | Very low | 28.3 | Very low | 176 Ų | 176 | 143.8 Ų | 143.8 | 77% | 0.772 | 76% | 0.758 | S | S | * | * | cis | -136.1 | 137.5 | 7.4 | -89.6 | -74.3 | 0 | 0 | 0 | 110.8 | ||||
| 581 | Y | 27.7 | Very low | 28.4 | Very low | 202 Ų | 202 | 143.1 Ų | 143.1 | 79% | 0.792 | 76% | 0.762 | S | S | * | * | 60.1 | 147.7 | 102.3 | -91.6 | -114.8 | 0 | 0 | 0 | 118.3 | |||||
| 582 | N | 26.5 | Very low | 28.8 | Very low | 114 Ų | 114 | 143.3 Ų | 143.3 | 61% | 0.61 | 76% | 0.762 | S | S | * | * | cis | -175.9 | -177 | -31 | -134.2 | -32.7 | 0 | 0 | 0 | 111.7 | ||||
| 583 | Q | 26.8 | Very low | 29.3 | Very low | 179 Ų | 179 | 141.9 Ų | 141.9 | 84% | 0.836 | 77% | 0.767 | S | S | * | * | trans | 78.5 | 125 | 175.1 | -54.2 | -179.1 | -2 | 0 | 0 | 115.9 | ||||
| 584 | T | 27.5 | Very low | 29.7 | Very low | 116 Ų | 116 | 143 Ų | 143 | 71% | 0.712 | 77% | 0.772 | S | S | * | * | cis | 90.4 | 109.6 | -1.8 | -27.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 585 | L | 30.3 | Very low | 29.7 | Very low | 167 Ų | 167 | 141.7 Ų | 141.7 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | 178.3 | 174.6 | 118 | -96.5 | 164.6 | 0 | 0 | 0 | 114.6 | |||||
| 586 | V | 35.7 | Very low | 29.9 | Very low | 122 Ų | 122 | 143.5 Ų | 143.5 | 74% | 0.739 | 77% | 0.773 | S | S | * | * | trans | -119.8 | -179.9 | -167.2 | -147 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 587 | P | 38 | Very low | 29.9 | Very low | 125 Ų | 125 | 141.9 Ų | 141.9 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | -137.3 | 163.3 | 114.3 | 39.1 | -29.8 | 0 | 0 | 0 | 114.9 | |||||
| 588 | A | 31.3 | Very low | 29.8 | Very low | 106 Ų | 106 | 139.2 Ų | 139.2 | 88% | 0.876 | 76% | 0.762 | S | S | * | * | trans | -112.7 | 164.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 589 | G | 27.6 | Very low | 29.8 | Very low | 75 Ų | 75 | 139.4 Ų | 139.4 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | trans | -154.4 | 149.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 590 | Y | 31.9 | Very low | 30 | Very low | 230 Ų | 230 | 142.5 Ų | 142.5 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | trans | -98.9 | 149.4 | -174.5 | -74.6 | -112.9 | 0 | 0 | 0 | 112.3 | ||||
| 591 | L | 27.7 | Very low | 29.8 | Very low | 160 Ų | 160 | 138.9 Ų | 138.9 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | 170.3 | 154.5 | 119.3 | -93.8 | 161.3 | 0 | 0 | 0 | 113.7 | |||||
| 592 | I | 35.9 | Very low | 29.6 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 75% | 0.754 | 77% | 0.765 | S | S | * | * | trans | -137.5 | 133.9 | 161.4 | -50.6 | 175.1 | 0 | 0 | 0 | 106.1 | I594 | I592-I594 HydrophobicContact CG2-CG1 4.46Š| ||
| 593 | P | 34.3 | Very low | 29.6 | Very low | 123 Ų | 123 | 141.6 Ų | 141.6 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | -139.5 | 170.7 | 126.2 | 34.3 | -19.9 | 0 | 0 | 0 | 113.8 | |||||
| 594 | I | 36.1 | Very low | 29.6 | Very low | 155 Ų | 155 | 139.3 Ų | 139.3 | 80% | 0.795 | 76% | 0.764 | S | S | * | * | trans | -116.6 | 143.9 | -172.6 | -58.4 | 160.6 | 0 | 0 | 0 | 110.3 | I592 | I592-I594 HydrophobicContact CG2-CG1 4.46Š| ||
| 595 | S | 26 | Very low | 29.7 | Very low | 102 Ų | 102 | 141.4 Ų | 141.4 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | trans | -139.6 | 126.3 | 155.7 | 45.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 596 | Q | 28.8 | Very low | 29.7 | Very low | 156 Ų | 156 | 140.6 Ų | 140.6 | 73% | 0.729 | 76% | 0.762 | S | S | * | * | 61.3 | 135.1 | 83 | -64.8 | -178.7 | -5.1 | 0 | 0 | 112.8 | |||||
| 597 | Q | 27 | Very low | 29.2 | Very low | 149 Ų | 149 | 141.3 Ų | 141.3 | 70% | 0.696 | 76% | 0.762 | S | S | * | * | cis | -158.9 | 150 | 3.4 | -113.2 | 159.9 | -10.7 | 0 | 0 | 108 | ||||
| 598 | S | 26.7 | Very low | 28.7 | Very low | 95 Ų | 95 | 140.2 Ų | 140.2 | 66% | 0.664 | 76% | 0.757 | S | S | * | * | 59.2 | 146.5 | 90.3 | 103.4 | 0 | 0 | 0 | 0 | 115 | |||||
| 599 | L | 29.3 | Very low | 28.5 | Very low | 147 Ų | 147 | 138.1 Ų | 138.1 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | cis | -169.5 | -171.6 | 5.2 | -131.8 | 172.2 | 0 | 0 | 0 | 110 | ||||
| 600 | I | 28.3 | Very low | 28.7 | Very low | 147 Ų | 147 | 143.6 Ų | 143.6 | 75% | 0.754 | 75% | 0.751 | S | S | * | * | trans | 73.6 | 141.8 | 158.6 | -67.4 | 148 | 0 | 0 | 0 | 115.8 | ||||
| 601 | S | 21.8 | Very low | 28.6 | Very low | 99 Ų | 99 | 140.3 Ų | 140.3 | 69% | 0.692 | 74% | 0.744 | S | S | * | * | cis | -175.1 | 172.8 | -13.6 | -92.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 602 | Y | 24.4 | Very low | 28.8 | Very low | 188 Ų | 188 | 136.6 Ų | 136.6 | 74% | 0.737 | 73% | 0.732 | S | S | * | * | cis | -177 | -173.8 | -30.2 | -165.3 | -109 | 0 | 0 | 0 | 107.9 | E604 | Y602-E604 WeakPolarHBondContact CE1-OE2 3.43Š| ||
| 603 | K | 27 | Very low | 28.5 | Very low | 185 Ų | 185 | 135 Ų | 135 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | trans | 77.2 | 124.6 | 177.8 | -62.1 | -164.3 | 171.2 | -168.1 | 0 | 116.9 | ||||
| 604 | E | 26.7 | Very low | 28.1 | Very low | 132 Ų | 132 | 137.2 Ų | 137.2 | 62% | 0.617 | 72% | 0.721 | S | S | * | * | cis | 95.6 | 130.1 | 12.9 | -163.9 | -174.8 | -166 | 0 | 0 | 116.6 | Y602 | Y602-E604 WeakPolarHBondContact CE1-OE2 3.43Š| ||
| 605 | L | 28.4 | Very low | 27.6 | Very low | 159 Ų | 159 | 134.7 Ų | 134.7 | 83% | 0.832 | 72% | 0.718 | S | S | * | * | trans | -148.9 | -159.8 | 150.1 | -149.9 | 64.4 | 0 | 0 | 0 | 110.2 | ||||
| 606 | Q | 30.2 | Very low | 27.6 | Very low | 151 Ų | 151 | 134.7 Ų | 134.7 | 71% | 0.706 | 72% | 0.718 | S | S | * | * | trans | -133.6 | 169.6 | -151.1 | -77.6 | 178.2 | -18.1 | 0 | 0 | 111.5 | ||||
| 607 | N | 26.2 | Very low | 27.5 | Very low | 137 Ų | 137 | 137.1 Ų | 137.1 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | cis | -160.3 | -177.2 | 3.7 | -122.5 | 7.1 | 0 | 0 | 0 | 107.3 | ||||
| 608 | S | 27.9 | Very low | 27.5 | Very low | 102 Ų | 102 | 135.7 Ų | 135.7 | 71% | 0.713 | 72% | 0.717 | S | S | * | * | cis | -170.6 | 169.6 | -12 | 41.9 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 609 | G | 26.3 | Very low | 27.5 | Very low | 62 Ų | 62 | 140.7 Ų | 140.7 | 64% | 0.639 | 72% | 0.723 | S | S | * | * | cis | 172.5 | -178.6 | -6.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 610 | E | 31 | Very low | 27.3 | Very low | 190 Ų | 190 | 141.9 Ų | 141.9 | 89% | 0.888 | 73% | 0.725 | S | S | * | * | trans | 66.6 | 136.2 | 150.2 | -72 | 167.3 | -159.1 | 0 | 0 | 120.6 | ||||
| 611 | E | 30.7 | Very low | 27.3 | Very low | 160 Ų | 160 | 141 Ų | 141 | 75% | 0.748 | 73% | 0.726 | S | S | * | * | cis | -165.4 | 172.8 | -13.4 | -144.9 | -149.1 | -148.2 | 0 | 0 | 112.9 | ||||
| 612 | S | 31.7 | Very low | 28.3 | Very low | 83 Ų | 83 | 141.5 Ų | 141.5 | 58% | 0.58 | 73% | 0.727 | S | S | * | * | trans | 71 | 141.8 | 152.9 | -93.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 613 | N | 29.4 | Very low | 28.4 | Very low | 112 Ų | 112 | 138.5 Ų | 138.5 | 60% | 0.599 | 73% | 0.729 | S | S | * | * | cis | -166.4 | 149.2 | -1.8 | -136.5 | -44.7 | 0 | 0 | 0 | 112.3 | ||||
| 614 | K | 26.7 | Very low | 28.4 | Very low | 170 Ų | 170 | 134 Ų | 134 | 74% | 0.739 | 73% | 0.727 | S | S | * | * | trans | 56.6 | 129.7 | 159.4 | -66.1 | 141.1 | -172.8 | 168.3 | 0 | 119.4 | ||||
| 615 | S | 25.1 | Very low | 28.6 | Very low | 102 Ų | 102 | 133.4 Ų | 133.4 | 71% | 0.713 | 73% | 0.732 | S | S | * | * | cis | 80.8 | 133.4 | 40 | 78.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 616 | S | 25.9 | Very low | 28.6 | Very low | 103 Ų | 103 | 135.9 Ų | 135.9 | 72% | 0.72 | 73% | 0.731 | S | S | * | * | cis | -176.8 | -168.6 | -5.2 | 47.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 617 | Y | 27.5 | Very low | 28.4 | Very low | 206 Ų | 206 | 138.1 Ų | 138.1 | 81% | 0.808 | 74% | 0.739 | S | S | * | * | trans | 89.7 | 108.5 | 166.2 | -86.4 | -107.3 | 0 | 0 | 0 | 123.2 | ||||
| 618 | I | 26.9 | Very low | 28.4 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 61% | 0.61 | 74% | 0.739 | S | S | * | * | trans | 39.1 | 114.4 | 136.9 | -36.8 | 180 | 0 | 0 | 0 | 122.3 | ||||
| 619 | Y | 25.2 | Very low | 28.5 | Very low | 201 Ų | 201 | 138.7 Ų | 138.7 | 79% | 0.788 | 74% | 0.74 | S | S | * | * | -179.3 | 145.4 | 103.1 | -112 | -70.9 | 0 | 0 | 0 | 116.6 | |||||
| 620 | Q | 26 | Very low | 29 | Very low | 171 Ų | 171 | 143.9 Ų | 143.9 | 80% | 0.799 | 75% | 0.751 | S | S | * | * | trans | 70.5 | 145.3 | 150.2 | -104.5 | 152.9 | -22.7 | 0 | 0 | 124.4 | ||||
| 621 | T | 27.8 | Very low | 28.9 | Very low | 128 Ų | 128 | 139.3 Ų | 139.3 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | trans | -104.3 | -172.6 | 175.1 | 54.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 622 | P | 42.6 | Very low | 28.9 | Very low | 110 Ų | 110 | 137.1 Ų | 137.1 | 71% | 0.714 | 74% | 0.743 | S | S | * | * | cis | -144.5 | -171.3 | 8.6 | 34 | -8.8 | 0 | 0 | 0 | 118 | ||||
| 623 | T | 28.2 | Very low | 28.8 | Very low | 125 Ų | 125 | 141.7 Ų | 141.7 | 77% | 0.767 | 76% | 0.76 | S | S | * | * | trans | 103.2 | 130.1 | 143 | -21.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 624 | A | 27.1 | Very low | 28.7 | Very low | 92 Ų | 92 | 146.3 Ų | 146.3 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | trans | 65.7 | 154.1 | 162.4 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 625 | V | 29.7 | Very low | 28.6 | Very low | 119 Ų | 119 | 143 Ų | 143 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | cis | -134.2 | 177.2 | 13 | -177.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 626 | Y | 29.3 | Very low | 28.7 | Very low | 210 Ų | 210 | 143.6 Ų | 143.6 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | trans | 93.4 | 81.3 | 166.4 | -66.6 | -81.9 | 0 | 0 | 0 | 118.9 | ||||
| 627 | F | 25.8 | Very low | 28.8 | Very low | 198 Ų | 198 | 148.9 Ų | 148.9 | 87% | 0.868 | 78% | 0.78 | S | S | * | * | trans | -144.7 | 140.9 | 132.9 | -139.5 | -93.1 | 0 | 0 | 0 | 110 | ||||
| 628 | C | 26.6 | Very low | 28.8 | Very low | 108 Ų | 108 | 144.6 Ų | 144.6 | 73% | 0.73 | 78% | 0.781 | S | S | * | * | trans | 61.6 | 154.5 | -169.8 | -64.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 629 | I | 29.7 | Very low | 28.7 | Very low | 144 Ų | 144 | 143.9 Ų | 143.9 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | cis | -125.4 | 130 | 19.9 | -69.5 | 166.7 | 0 | 0 | 0 | 111.6 | ||||
| 630 | I | 36.3 | Very low | 28.8 | Very low | 170 Ų | 170 | 139.1 Ų | 139.1 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | trans | -90.4 | 109.9 | 149.3 | -70 | 179.4 | 0 | 0 | 0 | 107 | ||||
| 631 | S | 29.9 | Very low | 28.8 | Very low | 94 Ų | 94 | 135.6 Ų | 135.6 | 66% | 0.657 | 80% | 0.795 | S | S | * | * | trans | 178.4 | 160.2 | 162.7 | -85.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 632 | S | 29.7 | Very low | 28.7 | Very low | 115 Ų | 115 | 137 Ų | 137 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | 66.5 | 86.8 | 168.4 | -55.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 633 | L | 29.7 | Very low | 27.8 | Very low | 179 Ų | 179 | 139.3 Ų | 139.3 | 94% | 0.937 | 80% | 0.798 | S | S | * | * | trans | -151 | 89.9 | 132 | -142.6 | 76.6 | 0 | 0 | 0 | 111.8 | ||||
| 634 | F | 27.5 | Very low | 27.8 | Very low | 209 Ų | 209 | 139.2 Ų | 139.2 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | trans | -134.2 | 118.9 | 169 | -135.7 | -87.8 | 0 | 0 | 0 | 110.7 | ||||
| 635 | C | 25.2 | Very low | 28 | Very low | 100 Ų | 100 | 140.4 Ų | 140.4 | 68% | 0.676 | 80% | 0.795 | S | S | * | * | trans | 45.3 | 110.5 | 160.5 | -162.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 636 | S | 27.1 | Very low | 28 | Very low | 115 Ų | 115 | 140.6 Ų | 140.6 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | 174 | 163.8 | 113.7 | -78.6 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 637 | R | 27.3 | Very low | 28 | Very low | 214 Ų | 214 | 135.4 Ų | 135.4 | 81% | 0.808 | 79% | 0.789 | S | S | * | * | cis | 166.5 | 131.1 | -40.7 | 174.3 | 178.4 | -173.3 | -164.2 | 2.9 | 107 | ||||
| 638 | S | 27.2 | Very low | 28 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | trans | 64.4 | 166.2 | 179.9 | -63.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 639 | A | 25.2 | Very low | 28.1 | Very low | 103 Ų | 103 | 134.4 Ų | 134.4 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | cis | -140.5 | -178.8 | 2.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 640 | A | 27.7 | Very low | 28 | Very low | 102 Ų | 102 | 139 Ų | 139 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | trans | -88.9 | 155.2 | -170.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 641 | A | 24.5 | Very low | 27.5 | Very low | 97 Ų | 97 | 138.5 Ų | 138.5 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | trans | -148.6 | 128.6 | 140.4 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 642 | L | 26.5 | Very low | 27.3 | Very low | 158 Ų | 158 | 137.8 Ų | 137.8 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | cis | 95.2 | 120.6 | 37.1 | -170.4 | 74.5 | 0 | 0 | 0 | 112.1 | ||||
| 643 | E | 23.8 | Very low | 27.2 | Very low | 157 Ų | 157 | 141.8 Ų | 141.8 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | trans | 60.7 | 123.8 | 163.2 | -75.8 | -62.2 | 147.9 | 0 | 0 | 121 | ||||
| 644 | V | 28.8 | Very low | 27.9 | Very low | 123 Ų | 123 | 138.7 Ų | 138.7 | 75% | 0.745 | 79% | 0.792 | S | S | * | * | 156 | 109.3 | 110.9 | 171.4 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 645 | T | 29.7 | Very low | 28 | Very low | 117 Ų | 117 | 136.8 Ų | 136.8 | 72% | 0.718 | 79% | 0.79 | S | S | * | * | trans | -86.8 | 146.2 | 157.1 | 40.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 646 | P | 30.7 | Very low | 28.2 | Very low | 123 Ų | 123 | 136.5 Ų | 136.5 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | trans | -112.6 | 138.3 | 139.7 | 33.5 | -29.4 | 0 | 0 | 0 | 111.7 | ||||
| 647 | T | 28.9 | Very low | 28.3 | Very low | 101 Ų | 101 | 136.2 Ų | 136.2 | 62% | 0.62 | 80% | 0.799 | S | S | * | * | trans | -109.4 | 171.9 | -177.5 | -51.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 648 | N | 26.2 | Very low | 28.3 | Very low | 140 Ų | 140 | 130.7 Ų | 130.7 | 75% | 0.749 | 80% | 0.8 | S | S | * | * | trans | 99.1 | 116 | 170.8 | -54.4 | -72.5 | 0 | 0 | 0 | 114.2 | ||||
| 649 | L | 28.4 | Very low | 28.4 | Very low | 146 Ų | 146 | 131.7 Ų | 131.7 | 76% | 0.764 | 80% | 0.801 | S | S | * | * | cis | 88.2 | 106.7 | 40.2 | -69.5 | 171.6 | 0 | 0 | 0 | 114.2 | ||||
| 650 | R | 27 | Very low | 28.6 | Very low | 240 Ų | 240 | 132.1 Ų | 132.1 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | -179.2 | 165.2 | 119.6 | -95.7 | 169.9 | -172.7 | -146.2 | 2.2 | 108.7 | |||||
| 651 | L | 27.5 | Very low | 28.5 | Very low | 160 Ų | 160 | 132.1 Ų | 132.1 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | cis | 175.4 | 126.4 | -34.4 | 169.2 | 62.4 | 0 | 0 | 0 | 105.1 | ||||
| 652 | G | 25.1 | Very low | 29.2 | Very low | 79 Ų | 79 | 132.6 Ų | 132.6 | 81% | 0.814 | 79% | 0.786 | S | S | * | * | trans | -171 | 74.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 653 | K | 27.6 | Very low | 29.5 | Very low | 199 Ų | 199 | 132.9 Ų | 132.9 | 87% | 0.865 | 78% | 0.783 | S | S | * | * | trans | -100.2 | 177.5 | 157 | -89.9 | 176.3 | 177.9 | 176.4 | 0 | 107.6 | ||||
| 654 | P | 45.1 | Very low | 30.3 | Very low | 114 Ų | 114 | 133.5 Ų | 133.5 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | cis | -106.6 | -158 | 7 | 44.2 | -33.8 | 0 | 0 | 0 | 111.5 | ||||
| 655 | L | 27.8 | Very low | 30.6 | Very low | 169 Ų | 169 | 132.9 Ų | 132.9 | 89% | 0.885 | 78% | 0.784 | S | S | * | * | cis | -141.5 | -142.4 | 2.4 | -166 | 44.5 | 0 | 0 | 0 | 110 | ||||
| 656 | A | 29.5 | Very low | 30.7 | Very low | 93 Ų | 93 | 132 Ų | 132 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | -154.9 | 156.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 657 | A | 29.4 | Very low | 31 | Very low | 109 Ų | 109 | 138.4 Ų | 138.4 | 90% | 0.901 | 79% | 0.791 | S | S | * | * | trans | -154.8 | 149.9 | 157.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 658 | A | 28.2 | Very low | 31.4 | Very low | 98 Ų | 98 | 139.9 Ų | 139.9 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | trans | -144.8 | 149 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 659 | V | 29.3 | Very low | 32.1 | Very low | 138 Ų | 138 | 138.8 Ų | 138.8 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | trans | -166.4 | 147.8 | 161.1 | 123.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 660 | S | 28.1 | Very low | 32.8 | Very low | 111 Ų | 111 | 136.6 Ų | 136.6 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | trans | 54.6 | 129.2 | 163.4 | 62 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 661 | S | 26.6 | Very low | 33.8 | Very low | 103 Ų | 103 | 129.1 Ų | 129.1 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | trans | -100.4 | 171.9 | 156.3 | -164.3 | 0 | 0 | 0 | 0 | 109.2 | H663 | S661-H663 PolarHBondContact OG-N 3.03Š| ||
| 662 | P | 39.4 | Very low | 35.4 | Very low | 107 Ų | 107 | 124.5 Ų | 124.5 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | -146.6 | 142.4 | 85.3 | 33.9 | -14.9 | 0 | 0 | 0 | 117.1 | |||||
| 663 | H | 31.8 | Very low | 37.5 | Very low | 164 Ų | 164 | 125.5 Ų | 125.5 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | trans | 61.1 | 144.8 | 159.2 | -55.4 | -46 | 0 | 0 | 0 | 119.4 | S661 | S661-H663 PolarHBondContact OG-N 3.03Š| ||
| 664 | Q | 41.9 | Very low | 39.5 | Very low | 169 Ų | 169 | 119.6 Ų | 119.6 | 79% | 0.79 | 74% | 0.744 | S | S | * | * | cis | -157.2 | 143.3 | -18.6 | -106.2 | -157.4 | 56.2 | 0 | 0 | 106.4 | ||||
| 665 | P | 34.8 | Very low | 41 | Very low | 110 Ų | 110 | 118.7 Ų | 118.7 | 71% | 0.714 | 73% | 0.732 | S | S | * | * | -158.7 | 177.3 | 111.9 | 39.1 | -19.6 | 0 | 0 | 0 | 117.1 | |||||
| 666 | S | 32.3 | Very low | 43.4 | Very low | 99 Ų | 99 | 114.8 Ų | 114.8 | 69% | 0.692 | 71% | 0.712 | S | S | * | * | trans | 44.2 | 115.2 | 151.7 | 60.7 | 0 | 0 | 0 | 0 | 120.6 | V668 | S666-V668 PolarHBondContact O-N 3.44Š| ||
| 667 | R | 35.9 | Very low | 45.5 | Very low | 258 Ų | 258 | 114.6 Ų | 114.6 | 97% | 0.974 | 70% | 0.697 | S | S | * | * | trans | -72 | 109.6 | 179.1 | -68.2 | -177.7 | 177.3 | 176.9 | -0.7 | 113.9 | ||||
| 668 | V | 36.7 | Very low | 47.8 | Very low | 132 Ų | 132 | 115.5 Ų | 115.5 | 80% | 0.8 | 68% | 0.681 | S | S | * | * | trans | -95.1 | 149.7 | 160.1 | 179.3 | 0 | 0 | 0 | 0 | 109.5 | S666 S670 | S666-V668 PolarHBondContact O-N 3.44Å; V668-S670 PolarHBondContact O-N 3Å; V668-S670 VanDerWaalsContact O-N 3.12Å | ||
| 669 | S | 41.9 | Very low | 50.3 | Low | 117 Ų | 117 | 114 Ų | 114 | 82% | 0.818 | 66% | 0.663 | S | S | * | * | trans | -65 | 102.6 | -178 | 174.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 670 | S | 42 | Very low | 52.6 | Low | 100 Ų | 100 | 110 Ų | 110 | 70% | 0.699 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 143.2 | 167.4 | 48.3 | 0 | 0 | 0 | 0 | 111.8 | V668 | V668-S670 PolarHBondContact O-N 3Å; V668-S670 VanDerWaalsContact O-N 3.12Å |
| 671 | P | 49.8 | Very low | 55 | Low | 83 Ų | 83 | 108.6 Ų | 108.6 | 54% | 0.539 | 62% | 0.617 | S | S | . | * | P | Polyproline II helix | trans | -68.4 | 147.3 | 169.1 | 30.1 | -34 | 0 | 0 | 0 | 110.1 | ||
| 672 | S | 59.2 | Low | 56.8 | Low | 62 Ų | 62 | 108.9 Ų | 108.9 | 43% | 0.434 | 61% | 0.61 | S | S | . | * | P | Polyproline II helix | trans | -67.6 | 144.7 | 179.8 | 57.4 | 0 | 0 | 0 | 0 | 111.4 | A674 I675 L676 | S672-A674 PolarHBondContact O-N 3.29Å; S672-A674 VanDerWaalsContact O-N 3.07Å; S672-I675 PolarHBondContact O-N 3.08Å; S672-I675 WeakPolarHBondContact OG-CD1 3.24Å; S672-L676 PolarHBondContact O-N 2.68Å |
| 673 | P | 69.6 | Low | 58.9 | Low | 100 Ų | 100 | 109.2 Ų | 109.2 | 65% | 0.649 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -55.6 | -31.9 | -174.8 | -28.9 | 35.8 | 0 | 0 | 0 | 114.6 | I675 L676 N677 | P673-I675 VanDerWaalsContact C-N 3.34Å; P673-I675 PolarHBondContact O-N 2.96Å; P673-L676 PolarHBondContact O-N 3.49Å; P673-N677 PolarHBondContact O-N 2.94Å |
| 674 | A | 70.8 | Confident | 60.7 | Low | 75 Ų | 75 | 104.5 Ų | 104.5 | 62% | 0.62 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -61.4 | -38.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S672 F678 | S672-A674 PolarHBondContact O-N 3.29Å; S672-A674 VanDerWaalsContact O-N 3.07Å; A674-F678 VanDerWaalsContact O-CB 3.23Å; A674-F678 WeakPolarHBondContact O-CB 3.49Å; A674-F678 PolarHBondContact O-N 2.95Å |
| 675 | I | 75.6 | Confident | 61.9 | Low | 95 Ų | 95 | 102 Ų | 102 | 49% | 0.487 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67.6 | -43 | 177.1 | -63 | 172.4 | 0 | 0 | 0 | 109.6 | S672 P673 F678 T679 | S672-I675 PolarHBondContact O-N 3.08Å; S672-I675 WeakPolarHBondContact OG-CD1 3.24Å; P673-I675 VanDerWaalsContact C-N 3.34Å; P673-I675 PolarHBondContact O-N 2.96Å; I675-F678 PolarHBondContact O-N 3.46Å; I675-T679 PolarHBondContact O-N 3.39Å; I675-T679 PolarHBondContact O-OG1 3.27Å; I675-T679 VanDerWaalsContact O-OG1 3.05Å |
| 676 | L | 78.3 | Confident | 63.6 | Low | 88 Ų | 88 | 100.1 Ų | 100.1 | 46% | 0.461 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.3 | -45.4 | -178.2 | -145.5 | 165.4 | 0 | 0 | 0 | 111.2 | S672 P673 T679 L680 | S672-L676 PolarHBondContact O-N 2.68Å; P673-L676 PolarHBondContact O-N 3.49Å; L676-T679 PolarHBondContact O-N 2.77Å; L676-L680 HydrophobicContact CD2-CD1 3.58Å; L676-L680 HydrophobicContact CD2-CG 3.99Å; L676-L680 WeakPolarHBondContact O-CG 3.49Å; L676-L680 PolarHBondContact O-N 3.49Å |
| 677 | N | 73.4 | Confident | 64.4 | Low | 88 Ų | 88 | 100.9 Ų | 100.9 | 47% | 0.471 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.8 | -43.3 | 173.3 | -78.1 | -5.1 | 0 | 0 | 0 | 112.3 | P673 T679 L680 Q681 | P673-N677 PolarHBondContact O-N 2.94Å; N677-T679 VanDerWaalsContact C-N 3.35Å; N677-T679 PolarHBondContact O-N 2.88Å; N677-L680 PolarHBondContact O-N 3.12Å; N677-Q681 WeakPolarHBondContact O-CB 3.41Å; N677-Q681 WeakPolarHBondContact O-CG 3.32Å; N677-Q681 PolarHBondContact O-N 3.47Å |
| 678 | F | 78.6 | Confident | 65 | Low | 128 Ų | 128 | 92.4 Ų | 92.4 | 56% | 0.561 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.2 | -42.1 | 175.8 | -179.4 | -107.5 | 0 | 0 | 0 | 111.6 | A674 I675 N682 | A674-F678 VanDerWaalsContact O-CB 3.23Å; A674-F678 WeakPolarHBondContact O-CB 3.49Å; A674-F678 PolarHBondContact O-N 2.95Å; I675-F678 PolarHBondContact O-N 3.46Å; F678-N682 WeakPolarHBondContact CD1-ND2 3.38Å; F678-N682 WeakPolarHBondContact CD2-ND2 3.2Å; F678-N682 WeakPolarHBondContact CE1-ND2 3.31Å; F678-N682 VanDerWaalsContact CE2-ND2 3.29Å; F678-N682 WeakPolarHBondContact CE2-ND2 3.42Å; F678-N682 WeakPolarHBondContact CZ-ND2 3.27Å; F678-N682 WeakPolarHBondContact O-CB 3.41Å; F678-N682 PolarHBondContact O-N 3.47Å; F678-N682 PolarHBondContact O-ND2 2.88Å |
| 679 | T | 81.1 | Confident | 65.5 | Low | 68 Ų | 68 | 92.1 Ų | 92.1 | 42% | 0.417 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.1 | -42.7 | 174.5 | -59 | 0 | 0 | 0 | 0 | 112 | I675 L676 N677 N682 L683 | I675-T679 PolarHBondContact O-N 3.39Å; I675-T679 PolarHBondContact O-OG1 3.27Å; I675-T679 VanDerWaalsContact O-OG1 3.05Å; L676-T679 PolarHBondContact O-N 2.77Å; N677-T679 VanDerWaalsContact C-N 3.35Å; N677-T679 PolarHBondContact O-N 2.88Å; T679-N682 PolarHBondContact O-N 3.5Å; T679-L683 HydrophobicContact CG2-CD1 3.92Å; T679-L683 WeakPolarHBondContact O-CB 3.47Å; T679-L683 VanDerWaalsContact O-CG 3.26Å; T679-L683 WeakPolarHBondContact O-CG 3.35Å; T679-L683 PolarHBondContact O-N 3.11Å; T679-L683 VanDerWaalsContact O-N 3.09Å |
| 680 | L | 75.8 | Confident | 65.3 | Low | 52 Ų | 52 | 93.2 Ų | 93.2 | 27% | 0.272 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -69.6 | -35.5 | 179.4 | -68.5 | 174.1 | 0 | 0 | 0 | 113.3 | L676 N677 L683 G684 L685 I686 | L676-L680 HydrophobicContact CD2-CD1 3.58Å; L676-L680 HydrophobicContact CD2-CG 3.99Å; L676-L680 WeakPolarHBondContact O-CG 3.49Å; L676-L680 PolarHBondContact O-N 3.49Å; N677-L680 PolarHBondContact O-N 3.12Å; L680-L683 PolarHBondContact O-N 2.94Å; L680-G684 PolarHBondContact O-N 3.3Å; L680-L685 HydrophobicContact CD2-CB 4.26Å; L680-L685 HydrophobicContact CD2-CD1 3.94Å; L680-L685 PolarHBondContact O-N 3.02Å; L680-I686 HydrophobicContact CB-CD1 3.71Å; L680-I686 HydrophobicContact CB-CG1 3.81Å |
| 681 | Q | 79.2 | Confident | 65 | Low | 82 Ų | 82 | 92.1 Ų | 92.1 | 38% | 0.383 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.4 | -48.1 | 172.3 | -75.9 | 173.1 | -16.1 | 0 | 0 | 111.4 | N677 L683 G684 I686 | N677-Q681 WeakPolarHBondContact O-CB 3.41Å; N677-Q681 WeakPolarHBondContact O-CG 3.32Å; N677-Q681 PolarHBondContact O-N 3.47Å; Q681-L683 PolarHBondContact O-N 3.27Å; Q681-G684 PolarHBondContact O-N 3.31Å; Q681-I686 HydrophobicContact CG-CD1 3.95Å; Q681-I686 HydrophobicContact CG-CG1 3.75Å |
| 682 | N | 64.6 | Low | 64 | Low | 109 Ų | 109 | 92.5 Ų | 92.5 | 58% | 0.583 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -67.2 | -21 | 178.7 | -72.2 | -57.1 | 0 | 0 | 0 | 113.7 | F678 T679 G684 | F678-N682 WeakPolarHBondContact CD1-ND2 3.38Å; F678-N682 WeakPolarHBondContact CD2-ND2 3.2Å; F678-N682 WeakPolarHBondContact CE1-ND2 3.31Å; F678-N682 VanDerWaalsContact CE2-ND2 3.29Å; F678-N682 WeakPolarHBondContact CE2-ND2 3.42Å; F678-N682 WeakPolarHBondContact CZ-ND2 3.27Å; F678-N682 WeakPolarHBondContact O-CB 3.41Å; F678-N682 PolarHBondContact O-N 3.47Å; F678-N682 PolarHBondContact O-ND2 2.88Å; T679-N682 PolarHBondContact O-N 3.5Å; N682-G684 VanDerWaalsContact C-N 3.33Å |
| 683 | L | 83.1 | Confident | 62.4 | Low | 115 Ų | 115 | 99.7 Ų | 99.7 | 60% | 0.602 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | 0.6 | 171.9 | -69.1 | 171 | 0 | 0 | 0 | 113.2 | T679 L680 Q681 L685 | T679-L683 HydrophobicContact CG2-CD1 3.92Å; T679-L683 WeakPolarHBondContact O-CB 3.47Å; T679-L683 VanDerWaalsContact O-CG 3.26Å; T679-L683 WeakPolarHBondContact O-CG 3.35Å; T679-L683 PolarHBondContact O-N 3.11Å; T679-L683 VanDerWaalsContact O-N 3.09Å; L680-L683 PolarHBondContact O-N 2.94Å; Q681-L683 PolarHBondContact O-N 3.27Å; L683-L685 HydrophobicContact CB-CD1 3.93Å; L683-L685 HydrophobicContact CB-CG 3.88Å; L683-L685 HydrophobicContact CD1-CD1 4.22Å; L683-L685 PolarHBondContact O-N 3.15Å |
| 684 | G | 69.5 | Low | 60.4 | Low | 64 Ų | 64 | 98.2 Ų | 98.2 | 66% | 0.66 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.7 | 14.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L680 Q681 N682 | L680-G684 PolarHBondContact O-N 3.3Å; Q681-G684 PolarHBondContact O-N 3.31Å; N682-G684 VanDerWaalsContact C-N 3.33Å |
| 685 | L | 68.3 | Low | 58.3 | Low | 118 Ų | 118 | 100.2 Ų | 100.2 | 62% | 0.618 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -87.6 | -12.6 | -174.1 | -62.5 | 177.7 | 0 | 0 | 0 | 113.4 | L680 L683 | L680-L685 HydrophobicContact CD2-CB 4.26Å; L680-L685 HydrophobicContact CD2-CD1 3.94Å; L680-L685 PolarHBondContact O-N 3.02Å; L683-L685 HydrophobicContact CB-CD1 3.93Å; L683-L685 HydrophobicContact CB-CG 3.88Å; L683-L685 HydrophobicContact CD1-CD1 4.22Å; L683-L685 PolarHBondContact O-N 3.15Å |
| 686 | I | 69.2 | Low | 55.9 | Low | 69 Ų | 69 | 101.6 Ų | 101.6 | 35% | 0.354 | 63% | 0.634 | S | S | . | * | S | Bend | trans | -138.2 | 129.6 | 168.3 | 54.9 | -179.1 | 0 | 0 | 0 | 109.8 | L680 Q681 | L680-I686 HydrophobicContact CB-CD1 3.71Å; L680-I686 HydrophobicContact CB-CG1 3.81Å; Q681-I686 HydrophobicContact CG-CD1 3.95Å; Q681-I686 HydrophobicContact CG-CG1 3.75Å |
| 687 | S | 50.5 | Low | 53.8 | Low | 115 Ų | 115 | 106.2 Ų | 106.2 | 80% | 0.804 | 65% | 0.653 | S | S | * | * | trans | -72.3 | 144.3 | 174.8 | -56.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 688 | S | 47.3 | Very low | 52.4 | Low | 81 Ų | 81 | 107 Ų | 107 | 57% | 0.566 | 66% | 0.663 | S | S | * | * | trans | -64.1 | 130.6 | 171.8 | -66.6 | 0 | 0 | 0 | 0 | 110.9 | T690 | S688-T690 PolarHBondContact O-N 3.24Å; S688-T690 VanDerWaalsContact O-N 3.07Å | ||
| 689 | P | 47.1 | Very low | 50.8 | Low | 126 Ų | 126 | 106 Ų | 106 | 82% | 0.818 | 67% | 0.669 | S | S | * | * | trans | -75.4 | 98.5 | 177.7 | 29.7 | -33.6 | 0 | 0 | 0 | 110.7 | ||||
| 690 | T | 39.5 | Very low | 48.3 | Very low | 139 Ų | 139 | 111.9 Ų | 111.9 | 85% | 0.853 | 69% | 0.692 | S | S | * | * | trans | -110.3 | 101.1 | 172.6 | -34.9 | 0 | 0 | 0 | 0 | 108.5 | S688 | S688-T690 PolarHBondContact O-N 3.24Å; S688-T690 VanDerWaalsContact O-N 3.07Å | ||
| 691 | G | 33.8 | Very low | 46 | Very low | 78 Ų | 78 | 112.6 Ų | 112.6 | 80% | 0.804 | 71% | 0.712 | S | S | * | * | trans | 160.9 | 117.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 692 | A | 29.7 | Very low | 43.8 | Very low | 91 Ų | 91 | 114.1 Ų | 114.1 | 75% | 0.752 | 74% | 0.738 | S | S | * | * | trans | -70 | 154.8 | -171.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 693 | F | 26.1 | Very low | 42 | Very low | 212 Ų | 212 | 112.5 Ų | 112.5 | 93% | 0.93 | 75% | 0.748 | S | S | * | * | -130 | 144.8 | 126.5 | -70.5 | -88 | 0 | 0 | 0 | 106 | |||||
| 694 | G | 26 | Very low | 39.4 | Very low | 69 Ų | 69 | 111.1 Ų | 111.1 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | cis | 100 | 118.6 | 9.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 695 | S | 27.6 | Very low | 37.7 | Very low | 118 Ų | 118 | 114.5 Ų | 114.5 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | cis | -160.3 | 173.7 | -3.8 | 59.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 696 | S | 25.4 | Very low | 36.8 | Very low | 123 Ų | 123 | 114.5 Ų | 114.5 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | trans | -150 | 160.5 | 154.7 | 55 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 697 | Q | 33.2 | Very low | 34.6 | Very low | 186 Ų | 186 | 115 Ų | 115 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | trans | -107.9 | 168.3 | -147.7 | -94.1 | -171.8 | -81.9 | 0 | 0 | 117.6 | ||||
| 698 | P | 45.3 | Very low | 34.3 | Very low | 103 Ų | 103 | 115.5 Ų | 115.5 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | trans | -101.7 | -171.5 | -170.4 | 43 | -38.1 | 0 | 0 | 0 | 114.1 | ||||
| 699 | P | 45.4 | Very low | 33.4 | Very low | 108 Ų | 108 | 120.1 Ų | 120.1 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | -137.7 | 170.9 | 115.6 | 40 | -30.1 | 0 | 0 | 0 | 112.9 | |||||
| 700 | E | 27.1 | Very low | 32.4 | Very low | 192 Ų | 192 | 117.5 Ų | 117.5 | 90% | 0.897 | 80% | 0.804 | S | S | * | * | cis | -166.3 | -176.9 | -20.7 | -107 | -175.3 | 89.3 | 0 | 0 | 110 | ||||
| 701 | G | 28.7 | Very low | 32 | Very low | 67 Ų | 67 | 118.9 Ų | 118.9 | 69% | 0.691 | 81% | 0.805 | S | S | * | * | trans | 93.9 | 87.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 702 | A | 32 | Very low | 31.8 | Very low | 113 Ų | 113 | 123.5 Ų | 123.5 | 93% | 0.934 | 81% | 0.805 | S | S | * | * | 68.4 | 125.3 | 80.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 703 | G | 27 | Very low | 32.7 | Very low | 76 Ų | 76 | 124.1 Ų | 124.1 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | cis | 177.1 | -172.1 | 1.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 704 | A | 28.2 | Very low | 32.8 | Very low | 85 Ų | 85 | 125.9 Ų | 125.9 | 70% | 0.702 | 80% | 0.802 | S | S | * | * | cis | -173.2 | 149.9 | -13.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 705 | T | 35.1 | Very low | 32.9 | Very low | 135 Ų | 135 | 126.2 Ų | 126.2 | 83% | 0.828 | 81% | 0.806 | S | S | * | * | trans | 73 | 169.9 | 151.5 | 63 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 706 | P | 47.5 | Very low | 33.1 | Very low | 119 Ų | 119 | 128.8 Ų | 128.8 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | -144.5 | 138.4 | -80.1 | 40.6 | -20.3 | 0 | 0 | 0 | 119.5 | |||||
| 707 | G | 24.5 | Very low | 33.4 | Very low | 78 Ų | 78 | 128.1 Ų | 128.1 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | 63.6 | -175.4 | 149.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 708 | P | 43.6 | Very low | 33.2 | Very low | 127 Ų | 127 | 128.5 Ų | 128.5 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | cis | -128.1 | 174.6 | -6.7 | 42.3 | -27.5 | 0 | 0 | 0 | 116.2 | ||||
| 709 | L | 28.6 | Very low | 32.6 | Very low | 178 Ų | 178 | 131.8 Ų | 131.8 | 93% | 0.932 | 81% | 0.809 | S | S | * | * | trans | -7.5 | 141.1 | 160.3 | -53 | 170.1 | 0 | 0 | 0 | 121.3 | ||||
| 710 | G | 26.6 | Very low | 31.7 | Very low | 71 Ų | 71 | 135.7 Ų | 135.7 | 73% | 0.732 | 82% | 0.815 | S | S | * | * | trans | 149.2 | 110.8 | 141.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 711 | L | 29.8 | Very low | 32.7 | Very low | 168 Ų | 168 | 131.7 Ų | 131.7 | 88% | 0.88 | 81% | 0.806 | S | S | * | * | trans | 48.9 | 114.8 | 144.8 | -54.6 | 175.2 | 0 | 0 | 0 | 122.3 | ||||
| 712 | Q | 30 | Very low | 32.7 | Very low | 174 Ų | 174 | 134.5 Ų | 134.5 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | 26 | 152.3 | 128.4 | -56.7 | -77 | 36.4 | 0 | 0 | 121.6 | |||||
| 713 | P | 48.2 | Very low | 32.4 | Very low | 104 Ų | 104 | 134 Ų | 134 | 68% | 0.675 | 80% | 0.799 | S | S | * | * | cis | -138.3 | -155.8 | -39.2 | 40 | -20.9 | 0 | 0 | 0 | 111.7 | ||||
| 714 | R | 28.9 | Very low | 33.5 | Very low | 249 Ų | 249 | 136 Ų | 136 | 94% | 0.94 | 80% | 0.798 | S | S | * | * | trans | 82.4 | 144.5 | 154.5 | -163.6 | -176.1 | -169.4 | 162.3 | 2.2 | 118.4 | ||||
| 715 | G | 28.6 | Very low | 33.6 | Very low | 76 Ų | 76 | 137.7 Ų | 137.7 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | trans | 121.4 | 118.8 | 155.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 716 | L | 31.8 | Very low | 33.3 | Very low | 172 Ų | 172 | 139.5 Ų | 139.5 | 90% | 0.901 | 80% | 0.799 | S | S | * | * | trans | -98 | 164 | 175.2 | -84.2 | 161 | 0 | 0 | 0 | 112.4 | ||||
| 717 | V | 31.6 | Very low | 32.4 | Very low | 110 Ų | 110 | 140.2 Ų | 140.2 | 67% | 0.667 | 80% | 0.8 | S | S | * | * | trans | 101.7 | 119.8 | 139.5 | 137.2 | 0 | 0 | 0 | 0 | 122 | ||||
| 718 | F | 29.8 | Very low | 32.8 | Very low | 193 Ų | 193 | 144.9 Ų | 144.9 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | trans | 67.8 | 174 | 161.7 | -60.3 | 156.1 | 0 | 0 | 0 | 117.8 | ||||
| 719 | I | 31.7 | Very low | 32.8 | Very low | 172 Ų | 172 | 144.2 Ų | 144.2 | 88% | 0.882 | 80% | 0.797 | S | S | * | * | cis | -141.6 | 175.9 | 21.6 | -46.7 | 164.5 | 0 | 0 | 0 | 112.9 | ||||
| 720 | K | 26.8 | Very low | 32.7 | Very low | 190 Ų | 190 | 140.5 Ų | 140.5 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | trans | -89.8 | -173.1 | 177.7 | -119.1 | -170.3 | 171.4 | 179.1 | 0 | 113.6 | ||||
| 721 | P | 48 | Very low | 32.9 | Very low | 108 Ų | 108 | 145 Ų | 145 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | cis | -111.5 | -145.6 | 14.3 | 19.9 | 6.2 | 0 | 0 | 0 | 113.7 | ||||
| 722 | V | 29.6 | Very low | 33.5 | Very low | 126 Ų | 126 | 142.9 Ų | 142.9 | 76% | 0.764 | 79% | 0.794 | S | S | * | * | cis | -155.5 | 169.1 | 4.2 | -129.6 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 723 | S | 24.8 | Very low | 33.4 | Very low | 104 Ų | 104 | 138.4 Ų | 138.4 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | cis | 74.9 | 142.1 | 9.7 | -58.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 724 | P | 50 | Low | 32.5 | Very low | 118 Ų | 118 | 142.7 Ų | 142.7 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | cis | -116.2 | 166 | -7 | 38.5 | -22.3 | 0 | 0 | 0 | 114.1 | ||||
| 725 | V | 30.7 | Very low | 33.1 | Very low | 119 Ų | 119 | 135.8 Ų | 135.8 | 72% | 0.721 | 79% | 0.794 | S | S | * | * | cis | 80.5 | 127.5 | 38.7 | 175.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 726 | Q | 28.9 | Very low | 33 | Very low | 174 Ų | 174 | 139.8 Ų | 139.8 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | cis | -162.3 | -165.3 | 37.2 | -153.5 | 161 | -109.2 | 0 | 0 | 115.4 | ||||
| 727 | V | 28.9 | Very low | 32.9 | Very low | 133 Ų | 133 | 138 Ų | 138 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | trans | 89.1 | 146.5 | 158.2 | -134.7 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 728 | Q | 31.2 | Very low | 32.7 | Very low | 176 Ų | 176 | 139.7 Ų | 139.7 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | trans | -119.8 | -163.4 | 174.2 | -57.7 | -174.1 | -14.3 | 0 | 0 | 109.8 | ||||
| 729 | P | 44.9 | Very low | 32.8 | Very low | 114 Ų | 114 | 138 Ų | 138 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | cis | -138.7 | -166.5 | -6.9 | 43.3 | -23.1 | 0 | 0 | 0 | 116.6 | ||||
| 730 | A | 26.6 | Very low | 32.6 | Very low | 100 Ų | 100 | 134.7 Ų | 134.7 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | trans | 96 | 158.2 | 155.1 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 731 | L | 30.6 | Very low | 32.8 | Very low | 166 Ų | 166 | 132.9 Ų | 132.9 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | trans | -103.3 | 179.7 | -179.6 | -118.1 | 71.8 | 0 | 0 | 0 | 110 | ||||
| 732 | P | 41.9 | Very low | 32.1 | Very low | 122 Ų | 122 | 136.9 Ų | 136.9 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | cis | -130.3 | 179.2 | -24.5 | 39.6 | -24.2 | 0 | 0 | 0 | 113.2 | ||||
| 733 | G | 26.8 | Very low | 32.1 | Very low | 81 Ų | 81 | 138.9 Ų | 138.9 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | 158.9 | 146.3 | 159.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 734 | Q | 30.1 | Very low | 32.9 | Very low | 193 Ų | 193 | 140.2 Ų | 140.2 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -97.8 | 169.7 | 155.4 | -96.6 | -172.7 | -14.8 | 0 | 0 | 108.3 | ||||
| 735 | P | 41.9 | Very low | 31.9 | Very low | 104 Ų | 104 | 141.7 Ų | 141.7 | 68% | 0.675 | 80% | 0.803 | S | S | * | * | cis | -151.1 | -179.5 | 34.2 | 44.3 | -23.2 | 0 | 0 | 0 | 119.4 | ||||
| 736 | L | 26.4 | Very low | 31.7 | Very low | 160 Ų | 160 | 143.7 Ų | 143.7 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | trans | 46.9 | 128.2 | 143.7 | -72.4 | 164.7 | 0 | 0 | 0 | 123.9 | ||||
| 737 | T | 28.8 | Very low | 31.8 | Very low | 135 Ų | 135 | 139.7 Ų | 139.7 | 83% | 0.828 | 80% | 0.804 | S | S | * | * | trans | 175.5 | 161.8 | 142.5 | 21.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 738 | L | 28.3 | Very low | 32 | Very low | 145 Ų | 145 | 139.4 Ų | 139.4 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | cis | -162.6 | 172.1 | -39.2 | -128.1 | -175.8 | 0 | 0 | 0 | 109.2 | ||||
| 739 | I | 32.3 | Very low | 32.5 | Very low | 159 Ų | 159 | 136.2 Ų | 136.2 | 82% | 0.815 | 80% | 0.797 | S | S | * | * | trans | 68.5 | 144.8 | 163.9 | -63 | 155.2 | 0 | 0 | 0 | 117.2 | ||||
| 740 | S | 26.6 | Very low | 31.7 | Very low | 101 Ų | 101 | 140.7 Ų | 140.7 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | cis | -164.5 | 124.2 | -35.8 | -176.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 741 | L | 31.8 | Very low | 31.7 | Very low | 152 Ų | 152 | 140.3 Ų | 140.3 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | trans | 13.5 | 130.4 | 138.7 | -116.7 | 170.9 | 0 | 0 | 0 | 122.3 | ||||
| 742 | Q | 32.9 | Very low | 31.7 | Very low | 192 Ų | 192 | 138.2 Ų | 138.2 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | trans | -160.1 | 156.3 | 134.4 | -145.7 | 165.3 | 9.5 | 0 | 0 | 113.8 | ||||
| 743 | Q | 28.6 | Very low | 31 | Very low | 169 Ų | 169 | 136.3 Ų | 136.3 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | -113.7 | 160.1 | 175.9 | -69.6 | 179 | -49.5 | 0 | 0 | 112.2 | ||||
| 744 | P | 43.2 | Very low | 31.1 | Very low | 132 Ų | 132 | 140.3 Ų | 140.3 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | -133.7 | -166.9 | 123 | 39.5 | -30.4 | 0 | 0 | 0 | 113.5 | |||||
| 745 | L | 28.2 | Very low | 31.8 | Very low | 149 Ų | 149 | 136.1 Ų | 136.1 | 78% | 0.78 | 79% | 0.794 | S | S | * | * | trans | -156.5 | 137.3 | -154 | -177.6 | 60 | 0 | 0 | 0 | 115.9 | ||||
| 746 | M | 27.3 | Very low | 31.3 | Very low | 160 Ų | 160 | 140.6 Ų | 140.6 | 79% | 0.788 | 81% | 0.806 | S | S | * | * | trans | 68.3 | 163.1 | 164.1 | -68.4 | -68.5 | 104.1 | 0 | 0 | 117.5 | ||||
| 747 | A | 30 | Very low | 31.4 | Very low | 91 Ų | 91 | 140.4 Ų | 140.4 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | cis | -153.6 | -177.7 | 31.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 748 | T | 32.4 | Very low | 31.5 | Very low | 127 Ų | 127 | 138.6 Ų | 138.6 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | trans | -107.2 | -169.4 | 179.5 | 55.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 749 | P | 43.3 | Very low | 31.8 | Very low | 109 Ų | 109 | 138.4 Ų | 138.4 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | cis | -151.1 | 177.8 | 16.4 | 45.7 | -23.6 | 0 | 0 | 0 | 121.2 | ||||
| 750 | K | 28.4 | Very low | 31.8 | Very low | 208 Ų | 208 | 140.9 Ų | 140.9 | 90% | 0.904 | 79% | 0.792 | S | S | * | * | trans | 40 | 122.5 | 145.7 | -72.1 | -179.6 | 176.8 | -176.7 | 0 | 123.7 | ||||
| 751 | A | 26.4 | Very low | 32.1 | Very low | 91 Ų | 91 | 143.9 Ų | 143.9 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | trans | -172.8 | 111.6 | 136.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 752 | S | 29.5 | Very low | 32.1 | Very low | 122 Ų | 122 | 143.2 Ų | 143.2 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | 62.5 | 113.6 | 86.6 | 70.4 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 753 | G | 28 | Very low | 32.2 | Very low | 83 Ų | 83 | 139.9 Ų | 139.9 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | trans | 154.2 | 136.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 754 | L | 28.5 | Very low | 32.3 | Very low | 164 Ų | 164 | 137.8 Ų | 137.8 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | trans | -140.9 | 171 | 173.8 | -124.6 | 176.1 | 0 | 0 | 0 | 108.6 | ||||
| 755 | P | 45.9 | Very low | 31.9 | Very low | 106 Ų | 106 | 137.3 Ų | 137.3 | 69% | 0.688 | 79% | 0.787 | S | S | * | * | -84.4 | 177.9 | -100.2 | 40.4 | -29.1 | 0 | 0 | 0 | 114.9 | |||||
| 756 | Q | 29.5 | Very low | 32.1 | Very low | 198 Ų | 198 | 137.9 Ų | 137.9 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | trans | -148.1 | 169.5 | 143.4 | -89.6 | -126.5 | -7.9 | 0 | 0 | 111.4 | ||||
| 757 | H | 29.4 | Very low | 32.1 | Very low | 156 Ų | 156 | 135.9 Ų | 135.9 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | trans | -139.2 | 137.1 | -156.1 | 161.4 | -74.2 | 0 | 0 | 0 | 111.2 | ||||
| 758 | S | 31.3 | Very low | 32.6 | Very low | 96 Ų | 96 | 137.7 Ų | 137.7 | 67% | 0.671 | 80% | 0.796 | S | S | * | * | trans | -178.4 | 134.3 | 148.7 | -89 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 759 | F | 34.1 | Very low | 32.5 | Very low | 142 Ų | 142 | 139.7 Ų | 139.7 | 62% | 0.623 | 80% | 0.801 | S | S | * | * | trans | 39.7 | 128.6 | 142.8 | -65.7 | -75.1 | 0 | 0 | 0 | 123 | ||||
| 760 | F | 33 | Very low | 31.9 | Very low | 211 Ų | 211 | 139.3 Ų | 139.3 | 93% | 0.925 | 81% | 0.807 | S | S | * | * | -160.6 | 153.7 | 94.4 | -100.2 | -70.9 | 0 | 0 | 0 | 111.8 | |||||
| 761 | H | 33 | Very low | 32 | Very low | 163 Ų | 163 | 134.1 Ų | 134.1 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | -101 | 159.2 | 179.7 | -76.6 | -87.7 | 0 | 0 | 0 | 112.9 | ||||
| 762 | T | 30.7 | Very low | 32.1 | Very low | 139 Ų | 139 | 138.9 Ų | 138.9 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | trans | -144.5 | 147.4 | 156.4 | 11 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 763 | P | 35.6 | Very low | 32.1 | Very low | 122 Ų | 122 | 139.8 Ų | 139.8 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | trans | -98.7 | 162.7 | -164.1 | 38 | -36.4 | 0 | 0 | 0 | 115.2 | ||||
| 764 | V | 31.6 | Very low | 32.4 | Very low | 124 Ų | 124 | 142.2 Ų | 142.2 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | trans | -110.2 | 129.1 | 172.6 | 177.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 765 | P | 33.9 | Very low | 32.8 | Very low | 123 Ų | 123 | 139.3 Ų | 139.3 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | trans | -84.3 | 131.5 | 170.8 | 32.6 | -31.5 | 0 | 0 | 0 | 111.4 | ||||
| 766 | L | 32.3 | Very low | 32.2 | Very low | 160 Ų | 160 | 140.2 Ų | 140.2 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | trans | -105.6 | 138.4 | 170.9 | -67.1 | 175 | 0 | 0 | 0 | 110.4 | ||||
| 767 | S | 27.4 | Very low | 32.4 | Very low | 119 Ų | 119 | 134.2 Ų | 134.2 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | -92 | 129.9 | 170.9 | -60.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 768 | P | 39.9 | Very low | 32.6 | Very low | 129 Ų | 129 | 135.9 Ų | 135.9 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | trans | -78.5 | 153.9 | 176.2 | 32.5 | -34.7 | 0 | 0 | 0 | 112 | ||||
| 769 | L | 30.9 | Very low | 33 | Very low | 169 Ų | 169 | 136.9 Ų | 136.9 | 89% | 0.885 | 82% | 0.823 | S | S | * | * | trans | -122.2 | 146.6 | 173.4 | -155.1 | 86.3 | 0 | 0 | 0 | 109.8 | ||||
| 770 | A | 30.6 | Very low | 32.8 | Very low | 101 Ų | 101 | 135 Ų | 135 | 84% | 0.835 | 83% | 0.834 | S | S | * | * | trans | 63.1 | 134.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 771 | A | 30.7 | Very low | 33.2 | Very low | 99 Ų | 99 | 130.8 Ų | 130.8 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | trans | -145.5 | 134.8 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 772 | M | 29.1 | Very low | 33.3 | Very low | 191 Ų | 191 | 134.3 Ų | 134.3 | 94% | 0.941 | 84% | 0.837 | S | S | * | * | trans | -77.7 | 160.1 | 175.1 | -82.1 | -179.3 | 158.1 | 0 | 0 | 111.8 | ||||
| 773 | V | 29.9 | Very low | 33.5 | Very low | 140 Ų | 140 | 134.8 Ų | 134.8 | 85% | 0.848 | 84% | 0.84 | S | S | * | * | trans | -92.5 | 127.7 | 172.3 | 175.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 774 | T | 33.4 | Very low | 33.4 | Very low | 135 Ų | 135 | 135 Ų | 135 | 83% | 0.828 | 84% | 0.839 | S | S | * | * | trans | -129.7 | 153.8 | 158.4 | 54.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 775 | A | 36.2 | Very low | 33.4 | Very low | 102 Ų | 102 | 138.7 Ų | 138.7 | 84% | 0.843 | 84% | 0.84 | S | S | * | * | trans | -113.6 | 101.3 | -163.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 776 | S | 33.2 | Very low | 33.3 | Very low | 125 Ų | 125 | 138.8 Ų | 138.8 | 87% | 0.874 | 84% | 0.839 | S | S | * | * | trans | -160.1 | 154.6 | 157.5 | 56.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 777 | G | 34.1 | Very low | 33.6 | Very low | 73 Ų | 73 | 135.5 Ų | 135.5 | 75% | 0.753 | 83% | 0.827 | S | S | * | * | trans | -103.3 | 175.8 | -168.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 778 | Q | 33.6 | Very low | 33.8 | Very low | 190 Ų | 190 | 139.1 Ų | 139.1 | 89% | 0.888 | 83% | 0.83 | S | S | * | * | trans | 79.3 | 136.8 | 178.6 | -61.3 | -64.3 | -12.7 | 0 | 0 | 117.2 | ||||
| 779 | P | 39.5 | Very low | 33.5 | Very low | 117 Ų | 117 | 144.6 Ų | 144.6 | 76% | 0.76 | 84% | 0.835 | S | S | * | * | trans | -99.1 | 146.4 | -178.5 | 37.8 | -32.3 | 0 | 0 | 0 | 113.1 | ||||
| 780 | A | 30.9 | Very low | 33.7 | Very low | 104 Ų | 104 | 145 Ų | 145 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | trans | -146.4 | 134.6 | 167 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 781 | S | 39.9 | Very low | 33.9 | Very low | 121 Ų | 121 | 147.8 Ų | 147.8 | 85% | 0.846 | 83% | 0.829 | S | S | * | * | trans | -102 | 114.2 | -178.9 | 42.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 782 | R | 36.4 | Very low | 34 | Very low | 238 Ų | 238 | 149.2 Ų | 149.2 | 90% | 0.898 | 82% | 0.823 | S | S | * | * | trans | -142.2 | 126 | 165.7 | -71.7 | -167.2 | 174.3 | 175.7 | -1 | 111.7 | ||||
| 783 | T | 35.4 | Very low | 34.1 | Very low | 149 Ų | 149 | 146.1 Ų | 146.1 | 91% | 0.914 | 82% | 0.815 | S | S | * | * | trans | -83.3 | 139.8 | 171.4 | -31.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 784 | V | 32.1 | Very low | 34.2 | Very low | 126 Ų | 126 | 145.2 Ų | 145.2 | 76% | 0.764 | 81% | 0.814 | S | S | * | * | trans | -129.6 | 135.8 | 175.6 | -179.3 | 0 | 0 | 0 | 0 | 109.5 | V786 | V784-V786 HydrophobicContact CG1-CG2 4.35Š| ||
| 785 | Y | 33.1 | Very low | 34.3 | Very low | 201 Ų | 201 | 143.4 Ų | 143.4 | 79% | 0.788 | 81% | 0.813 | S | S | * | * | trans | -122.7 | 131.6 | -178.1 | 167.9 | -84 | 0 | 0 | 0 | 109.1 | P787 | Y785-P787 HydrophobicContact CE1-CB 4.35Š| ||
| 786 | V | 31.2 | Very low | 34.7 | Very low | 126 Ų | 126 | 148 Ų | 148 | 76% | 0.764 | 82% | 0.818 | S | S | * | * | trans | -141.9 | 135.8 | 175.7 | -178.4 | 0 | 0 | 0 | 0 | 107.9 | V784 | V784-V786 HydrophobicContact CG1-CG2 4.35Š| ||
| 787 | P | 38.4 | Very low | 34.9 | Very low | 90 Ų | 90 | 149.1 Ų | 149.1 | 58% | 0.584 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 159.6 | -159.6 | 36.1 | -37.6 | 0 | 0 | 0 | 115.4 | Y785 | Y785-P787 HydrophobicContact CE1-CB 4.35Š|
| 788 | Q | 31.1 | Very low | 34.8 | Very low | 195 Ų | 195 | 154.5 Ų | 154.5 | 91% | 0.911 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 142.3 | 167.6 | -67 | 175.7 | -32.6 | 0 | 0 | 111.1 | ||
| 789 | R | 34.9 | Very low | 34.9 | Very low | 245 Ų | 245 | 152.8 Ų | 152.8 | 93% | 0.925 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 136.9 | 163.1 | -61.2 | -176.7 | -168.7 | 164 | 3.9 | 109 | ||
| 790 | K | 34.1 | Very low | 34.6 | Very low | 176 Ų | 176 | 154.6 Ų | 154.6 | 77% | 0.765 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 155.5 | 164.7 | -78.5 | -174.6 | 161.9 | -157.9 | 0 | 110.5 | ||
| 791 | L | 34.5 | Very low | 34.8 | Very low | 161 Ų | 161 | 157.4 Ų | 157.4 | 84% | 0.843 | 84% | 0.84 | S | S | * | * | trans | -128.7 | 111.4 | 156.2 | -159.1 | 84.8 | 0 | 0 | 0 | 106.4 | ||||
| 792 | D | 32.1 | Very low | 34.5 | Very low | 129 Ų | 129 | 159.6 Ų | 159.6 | 69% | 0.69 | 84% | 0.84 | S | S | * | * | trans | -89.8 | 140.5 | 172.3 | -73.8 | -72 | 0 | 0 | 0 | 108.9 | ||||
| 793 | V | 32.9 | Very low | 34.4 | Very low | 126 Ų | 126 | 154.7 Ų | 154.7 | 76% | 0.764 | 84% | 0.837 | S | S | * | * | trans | -135 | 109.2 | 172.5 | 179 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 794 | S | 30.5 | Very low | 34.3 | Very low | 120 Ų | 120 | 155.1 Ų | 155.1 | 84% | 0.839 | 83% | 0.831 | S | S | * | * | trans | -102.8 | 139.3 | 164.4 | -65.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 795 | A | 36.3 | Very low | 34.5 | Very low | 98 Ų | 98 | 157.1 Ų | 157.1 | 81% | 0.81 | 84% | 0.836 | S | S | * | * | trans | -94 | 134.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 796 | E | 44 | Very low | 34.6 | Very low | 199 Ų | 199 | 153.8 Ų | 153.8 | 93% | 0.93 | 84% | 0.84 | S | S | * | * | trans | -95.7 | 100.8 | 161.1 | -68.7 | -178 | 118.5 | 0 | 0 | 108 | ||||
| 797 | D | 37.8 | Very low | 34.9 | Very low | 147 Ų | 147 | 156.1 Ų | 156.1 | 79% | 0.786 | 85% | 0.846 | S | S | * | * | trans | -161.8 | 123.1 | 132.4 | -142.4 | -34.5 | 0 | 0 | 0 | 110.8 | ||||
| 798 | S | 32.1 | Very low | 34.6 | Very low | 187 Ų | 187 | 162.1 Ų | 162.1 | 100% | 1.308 | 87% | 0.87 | S | S | * | * | trans | 54.4 | 0 | 169.6 | -57.4 | 0 | 0 | 0 | 0 | 118.8 |
Retrieved 798 of 798 residues in 744.2 ms
(Link to these results)