| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 29.3 | Very low | 29.2 | Very low | 235 Ų | 235 | 152.8 Ų | 152.8 | 100% | 1.158 | 81% | 0.812 | S | S | * | * | 0 | 131.4 | 0 | -68.5 | 163.7 | 169.1 | 0 | 0 | 106.7 | |||||
| 2 | E | 26.8 | Very low | 29.4 | Very low | 190 Ų | 190 | 148.8 Ų | 148.8 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | trans | 52.9 | 169 | 160.4 | -58.3 | -171.3 | 135.2 | 0 | 0 | 119.6 | ||||
| 3 | P | 33.7 | Very low | 29.5 | Very low | 118 Ų | 118 | 146 Ų | 146 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | cis | -112.2 | 168.6 | -31.7 | 24.9 | -6.5 | 0 | 0 | 0 | 112.1 | ||||
| 4 | K | 31.4 | Very low | 29.6 | Very low | 183 Ų | 183 | 140.2 Ų | 140.2 | 80% | 0.796 | 77% | 0.773 | S | S | * | * | trans | -94.6 | 131.6 | 162.4 | -65.6 | 171.3 | -178.5 | 170.1 | 0 | 107.6 | ||||
| 5 | E | 31.9 | Very low | 30.1 | Very low | 192 Ų | 192 | 140.3 Ų | 140.3 | 90% | 0.897 | 76% | 0.763 | S | S | * | * | trans | -147.6 | 152.6 | 163.2 | -134.3 | 160 | -136.4 | 0 | 0 | 112.6 | ||||
| 6 | T | 26.9 | Very low | 30.3 | Very low | 126 Ų | 126 | 145.4 Ų | 145.4 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | trans | -112.3 | 122.2 | -156.9 | 50.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 7 | C | 27.7 | Very low | 30.6 | Very low | 115 Ų | 115 | 145.6 Ų | 145.6 | 78% | 0.777 | 77% | 0.768 | S | S | * | * | trans | -85.8 | 123.2 | 173.8 | -169.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 8 | M | 25.2 | Very low | 30.7 | Very low | 140 Ų | 140 | 147.7 Ų | 147.7 | 69% | 0.69 | 76% | 0.764 | S | S | * | * | trans | -105.7 | 121.3 | 173.2 | -72.9 | 175.8 | 48.7 | 0 | 0 | 110.2 | ||||
| 9 | F | 30.3 | Very low | 31 | Very low | 146 Ų | 146 | 150.2 Ų | 150.2 | 64% | 0.64 | 76% | 0.763 | S | S | * | * | trans | -142 | 120.8 | 167.3 | -95 | -79.8 | 0 | 0 | 0 | 114.9 | ||||
| 10 | D | 29 | Very low | 31.1 | Very low | 139 Ų | 139 | 148.7 Ų | 148.7 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | trans | 41.1 | 107.2 | 151 | -66.6 | -11.5 | 0 | 0 | 0 | 122.7 | ||||
| 11 | A | 29.2 | Very low | 31.3 | Very low | 97 Ų | 97 | 145.3 Ų | 145.3 | 80% | 0.802 | 76% | 0.76 | S | S | * | * | trans | -76.1 | 132.5 | 137.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 12 | P | 31.4 | Very low | 31.6 | Very low | 105 Ų | 105 | 138.7 Ų | 138.7 | 68% | 0.682 | 72% | 0.723 | S | S | * | * | S | Bend | -146.9 | 18.5 | 74.4 | 38.5 | -19.9 | 0 | 0 | 0 | 115.9 | |||
| 13 | V | 31 | Very low | 32.5 | Very low | 112 Ų | 112 | 131.3 Ų | 131.3 | 68% | 0.679 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -73.4 | -34.8 | -173.1 | -177.5 | 0 | 0 | 0 | 0 | 113.2 | K15 R16 | V13-K15 VanDerWaalsContact C-N 3.26Å; V13-K15 PolarHBondContact O-N 3.25Å; V13-K15 VanDerWaalsContact O-N 3.09Å; V13-R16 PolarHBondContact O-N 3.07Å |
| 14 | A | 31.2 | Very low | 33.2 | Very low | 65 Ų | 65 | 129.5 Ų | 129.5 | 54% | 0.537 | 68% | 0.683 | S | S | . | * | G | 310 helix | trans | -61.7 | -22.4 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | R16 | A14-R16 VanDerWaalsContact C-N 3.27Å; A14-R16 PolarHBondContact O-N 2.64Å |
| 15 | K | 36.9 | Very low | 34.3 | Very low | 142 Ų | 142 | 124.8 Ų | 124.8 | 62% | 0.617 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -77.4 | 2.4 | -178.7 | -80.6 | -168 | 170.2 | -174.7 | 0 | 115 | V13 D87 | V13-K15 VanDerWaalsContact C-N 3.26Å; V13-K15 PolarHBondContact O-N 3.25Å; V13-K15 VanDerWaalsContact O-N 3.09Å; K15-D87 WeakPolarHBondContact CE-OD2 3.37Å; K15-D87 IonicContact NZ-OD2 3.96Å; K15-D87 PolarHBondContact NZ-OD2 3.43Å |
| 16 | R | 33.4 | Very low | 35.7 | Very low | 221 Ų | 221 | 119.4 Ų | 119.4 | 83% | 0.834 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -103.4 | -24.3 | 178.5 | -70.3 | -171.8 | -178 | 175.9 | 3.2 | 116.4 | V13 A14 | V13-R16 PolarHBondContact O-N 3.07Å; A14-R16 VanDerWaalsContact C-N 3.27Å; A14-R16 PolarHBondContact O-N 2.64Å |
| 17 | L | 34.8 | Very low | 37.5 | Very low | 150 Ų | 150 | 117 Ų | 117 | 79% | 0.785 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -92.7 | -13.8 | -169.2 | -88.2 | 155.6 | 0 | 0 | 0 | 115.9 | R19 | L17-R19 VanDerWaalsContact C-N 3.32Å; L17-R19 PolarHBondContact O-N 3.28Å |
| 18 | R | 33.3 | Very low | 39.6 | Very low | 183 Ų | 183 | 114.3 Ų | 114.3 | 69% | 0.691 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -79.5 | -1.8 | -174.2 | -56.9 | -174.4 | -172.4 | 175.4 | 1 | 115.7 | ||
| 19 | R | 35.2 | Very low | 42.2 | Very low | 195 Ų | 195 | 110.6 Ų | 110.6 | 74% | 0.736 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | 2.8 | -154 | -79.1 | -174.9 | 166.2 | -170 | -5.8 | 118.1 | L17 | L17-R19 VanDerWaalsContact C-N 3.32Å; L17-R19 PolarHBondContact O-N 3.28Å |
| 20 | S | 33.7 | Very low | 44.5 | Very low | 119 Ų | 119 | 105.1 Ų | 105.1 | 83% | 0.832 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | -10.4 | -171.1 | 50.8 | 0 | 0 | 0 | 0 | 116.5 | ||
| 21 | A | 34.3 | Very low | 47 | Very low | 78 Ų | 78 | 103.7 Ų | 103.7 | 65% | 0.645 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -154.4 | -44.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S23 | A21-S23 VanDerWaalsContact C-N 3.26Å; A21-S23 PolarHBondContact O-N 2.82Å |
| 22 | Y | 35.6 | Very low | 49.6 | Very low | 97 Ų | 97 | 99.7 Ų | 99.7 | 38% | 0.38 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -5 | -176.2 | -97.9 | -99.7 | 0 | 0 | 0 | 115.6 | H288 L291 | Y22-H288 AromaticContact CE2-CE1 3.5Å; Y22-H288 VanDerWaalsContact CE2-CE1 3.5Å; Y22-H288 WeakPolarHBondContact CE2-CE1 3.36Å; Y22-H288 AromaticContact CE2-ND1 3.25Å; Y22-H288 VanDerWaalsContact CE2-ND1 3.25Å; Y22-H288 WeakPolarHBondContact CE2-ND1 3.36Å; Y22-H288 AromaticContact CZ-CE1 4Å; Y22-H288 AromaticContact CZ-ND1 3.33Å; Y22-H288 VanDerWaalsContact CZ-ND1 3.33Å; Y22-H288 PolarHBondContact OH-ND1 2.89Å; Y22-L291 HydrophobicContact CE1-CD1 4.49Å; Y22-L291 WeakPolarHBondContact OH-CD1 3.37Å |
| 23 | S | 45.8 | Very low | 52.4 | Low | 35 Ų | 35 | 94.7 Ų | 94.7 | 25% | 0.245 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -67.9 | -46.4 | -169.8 | -145.5 | 0 | 0 | 0 | 0 | 112.5 | A21 V25 V26 D27 | A21-S23 VanDerWaalsContact C-N 3.26Å; A21-S23 PolarHBondContact O-N 2.82Å; S23-V25 PolarHBondContact O-N 3.05Å; S23-V26 PolarHBondContact O-N 2.8Å; S23-D27 VanDerWaalsContact C-OD2 3.31Å; S23-D27 WeakPolarHBondContact CB-OD2 3.4Å; S23-D27 VanDerWaalsContact O-CB 3.27Å; S23-D27 WeakPolarHBondContact O-CB 3.45Å; S23-D27 PolarHBondContact O-N 3.08Å; S23-D27 PolarHBondContact OG-OD2 3.36Å |
| 24 | S | 49.9 | Very low | 55 | Low | 79 Ų | 79 | 93.8 Ų | 93.8 | 55% | 0.552 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -57.2 | -45.9 | -166.8 | 49 | 0 | 0 | 0 | 0 | 114.2 | E28 | S24-E28 WeakPolarHBondContact O-CB 3.5Å; S24-E28 PolarHBondContact O-N 3.37Å |
| 25 | V | 52.6 | Low | 57.7 | Low | 84 Ų | 84 | 93.9 Ų | 93.9 | 51% | 0.509 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -70 | -42.7 | -177.4 | -177.1 | 0 | 0 | 0 | 0 | 111.5 | S23 E28 Q29 | S23-V25 PolarHBondContact O-N 3.05Å; V25-E28 PolarHBondContact O-N 3.18Å; V25-Q29 WeakPolarHBondContact O-CG 3.15Å; V25-Q29 PolarHBondContact O-N 3.11Å |
| 26 | V | 61.8 | Low | 60.3 | Low | 80 Ų | 80 | 87.2 Ų | 87.2 | 49% | 0.485 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -69.3 | -40.2 | 177.7 | -177.7 | 0 | 0 | 0 | 0 | 110.7 | S23 E28 Q29 A30 | S23-V26 PolarHBondContact O-N 2.8Å; V26-E28 VanDerWaalsContact C-N 3.25Å; V26-E28 PolarHBondContact O-N 3.44Å; V26-Q29 PolarHBondContact O-N 2.96Å; V26-A30 WeakPolarHBondContact O-CB 3.46Å; V26-A30 PolarHBondContact O-N 2.84Å |
| 27 | D | 64.6 | Low | 63.1 | Low | 76 Ų | 76 | 77 Ų | 77 | 41% | 0.406 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.2 | -29.6 | 174.9 | -68.5 | -43.8 | 0 | 0 | 0 | 111.5 | S23 R31 | S23-D27 VanDerWaalsContact C-OD2 3.31Å; S23-D27 WeakPolarHBondContact CB-OD2 3.4Å; S23-D27 VanDerWaalsContact O-CB 3.27Å; S23-D27 WeakPolarHBondContact O-CB 3.45Å; S23-D27 PolarHBondContact O-N 3.08Å; S23-D27 PolarHBondContact OG-OD2 3.36Å; D27-R31 VanDerWaalsContact C-NH1 3.34Å; D27-R31 WeakPolarHBondContact O-CG 3.36Å; D27-R31 PolarHBondContact O-N 3.21Å; D27-R31 PolarHBondContact O-NH1 2.9Å |
| 28 | E | 71.5 | Confident | 65.6 | Low | 57 Ų | 57 | 75.3 Ų | 75.3 | 27% | 0.266 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -78.6 | -46.4 | 174.8 | -162.8 | 63.8 | -105.7 | 0 | 0 | 112.6 | S24 V25 V26 A30 R31 C32 | S24-E28 WeakPolarHBondContact O-CB 3.5Å; S24-E28 PolarHBondContact O-N 3.37Å; V25-E28 PolarHBondContact O-N 3.18Å; V26-E28 VanDerWaalsContact C-N 3.25Å; V26-E28 PolarHBondContact O-N 3.44Å; E28-A30 PolarHBondContact O-N 2.9Å; E28-R31 CarbonylContact O-C 3.53Å; E28-R31 WeakPolarHBondContact O-CA 3.44Å; E28-R31 VanDerWaalsContact O-CB 3.31Å; E28-R31 WeakPolarHBondContact O-CB 3.46Å; E28-R31 PolarHBondContact O-N 3.12Å; E28-R31 IonicContact OE1-CZ 3.9Å; E28-R31 IonicContact OE1-NE 2.79Å; E28-R31 PolarHBondContact OE1-NE 2.92Å; E28-R31 IonicContact OE1-NH2 3.76Å; E28-R31 IonicContact OE2-CZ 2.67Å; E28-R31 VanDerWaalsContact OE2-CZ 3.27Å; E28-R31 IonicContact OE2-NE 3.26Å; E28-R31 PolarHBondContact OE2-NE 2.79Å; E28-R31 VanDerWaalsContact OE2-NE 3.09Å; E28-R31 IonicContact OE2-NH2 2.92Å; E28-R31 PolarHBondContact OE2-NH2 2.86Å; E28-C32 PolarHBondContact O-N 3.12Å |
| 29 | Q | 80.8 | Confident | 68 | Low | 63 Ų | 63 | 67.4 Ų | 67.4 | 29% | 0.294 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -55.8 | -41.9 | 173.8 | -74.2 | -69 | -38.9 | 0 | 0 | 111.3 | V25 V26 R31 C32 C33 | V25-Q29 WeakPolarHBondContact O-CG 3.15Å; V25-Q29 PolarHBondContact O-N 3.11Å; V26-Q29 PolarHBondContact O-N 2.96Å; Q29-R31 VanDerWaalsContact C-N 3.34Å; Q29-R31 PolarHBondContact O-N 2.89Å; Q29-C32 PolarHBondContact O-N 2.9Å; Q29-C33 PolarHBondContact O-N 3.07Å; Q29-C33 PolarHBondContact O-SG 3.31Å |
| 30 | A | 79.1 | Confident | 70.2 | Confident | 31 Ų | 31 | 58.1 Ų | 58.1 | 26% | 0.256 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.5 | -32.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | V26 E28 Q34 | V26-A30 WeakPolarHBondContact O-CB 3.46Å; V26-A30 PolarHBondContact O-N 2.84Å; E28-A30 PolarHBondContact O-N 2.9Å; A30-Q34 VanDerWaalsContact O-CG 3.28Å; A30-Q34 WeakPolarHBondContact O-CG 3.4Å; A30-Q34 PolarHBondContact O-N 2.97Å |
| 31 | R | 81.5 | Confident | 72.7 | Confident | 108 Ų | 108 | 56.3 Ų | 56.3 | 41% | 0.408 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.2 | -44.4 | 171.2 | -80.6 | -176.9 | -71.2 | -80.9 | 9 | 111.3 | D27 E28 Q29 Q34 K35 | D27-R31 VanDerWaalsContact C-NH1 3.34Å; D27-R31 WeakPolarHBondContact O-CG 3.36Å; D27-R31 PolarHBondContact O-N 3.21Å; D27-R31 PolarHBondContact O-NH1 2.9Å; E28-R31 CarbonylContact O-C 3.53Å; E28-R31 WeakPolarHBondContact O-CA 3.44Å; E28-R31 VanDerWaalsContact O-CB 3.31Å; E28-R31 WeakPolarHBondContact O-CB 3.46Å; E28-R31 PolarHBondContact O-N 3.12Å; E28-R31 IonicContact OE1-CZ 3.9Å; E28-R31 IonicContact OE1-NE 2.79Å; E28-R31 PolarHBondContact OE1-NE 2.92Å; E28-R31 IonicContact OE1-NH2 3.76Å; E28-R31 IonicContact OE2-CZ 2.67Å; E28-R31 VanDerWaalsContact OE2-CZ 3.27Å; E28-R31 IonicContact OE2-NE 3.26Å; E28-R31 PolarHBondContact OE2-NE 2.79Å; E28-R31 VanDerWaalsContact OE2-NE 3.09Å; E28-R31 IonicContact OE2-NH2 2.92Å; E28-R31 PolarHBondContact OE2-NH2 2.86Å; Q29-R31 VanDerWaalsContact C-N 3.34Å; Q29-R31 PolarHBondContact O-N 2.89Å; R31-Q34 PolarHBondContact O-N 3.12Å; R31-K35 WeakPolarHBondContact O-CG 3.33Å; R31-K35 PolarHBondContact O-N 3.43Å |
| 32 | C | 84.3 | Confident | 74.9 | Confident | 13 Ų | 13 | 56.8 Ų | 56.8 | 9% | 0.088 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.1 | -44 | 179.4 | -66.2 | 0 | 0 | 0 | 0 | 112.3 | E28 Q29 Q34 K35 L36 V92 | E28-C32 PolarHBondContact O-N 3.12Å; Q29-C32 PolarHBondContact O-N 2.9Å; C32-Q34 VanDerWaalsContact C-N 3.27Å; C32-Q34 PolarHBondContact O-N 2.69Å; C32-K35 PolarHBondContact O-N 3.2Å; C32-L36 PolarHBondContact O-N 3.07Å; C32-V92 HydrophobicContact CB-CG2 3.44Å; C32-V92 VanDerWaalsContact CB-CG2 3.44Å |
| 33 | C | 88.8 | Confident | 77.1 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.007 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.5 | -36.6 | 172.9 | -61.9 | 0 | 0 | 0 | 0 | 112.5 | Q29 F37 L84 F95 | Q29-C33 PolarHBondContact O-N 3.07Å; Q29-C33 PolarHBondContact O-SG 3.31Å; C33-F37 WeakPolarHBondContact O-CB 3.23Å; C33-F37 PolarHBondContact O-N 3.35Å; C33-L84 HydrophobicContact CB-CD1 3.66Å; C33-F95 HydrophobicContact CB-CB 4.34Å; C33-F95 HydrophobicContact CB-CD2 4.34Å; C33-F95 HydrophobicContact CB-CG 4.36Å |
| 34 | Q | 86.6 | Confident | 78.8 | Confident | 92 Ų | 92 | 59.4 Ų | 59.4 | 43% | 0.43 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -68.5 | -43.7 | 175 | -73.7 | 173.1 | 25.1 | 0 | 0 | 112.5 | A30 R31 C32 F37 F38 L84 | A30-Q34 VanDerWaalsContact O-CG 3.28Å; A30-Q34 WeakPolarHBondContact O-CG 3.4Å; A30-Q34 PolarHBondContact O-N 2.97Å; R31-Q34 PolarHBondContact O-N 3.12Å; C32-Q34 VanDerWaalsContact C-N 3.27Å; C32-Q34 PolarHBondContact O-N 2.69Å; Q34-F37 PolarHBondContact O-N 2.66Å; Q34-F38 WeakPolarHBondContact O-CD2 3.44Å; Q34-F38 PolarHBondContact O-N 3.49Å; Q34-L84 HydrophobicContact CG-CD1 4.1Å; Q34-L84 HydrophobicContact CG-CD2 4.24Å; Q34-L84 HydrophobicContact CG-CG 4.3Å |
| 35 | K | 87.7 | Confident | 80 | Confident | 68 Ų | 68 | 57.3 Ų | 57.3 | 30% | 0.296 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.7 | -50.1 | 174.8 | -69.3 | -178.6 | -175.2 | 176.7 | 0 | 111.2 | R31 C32 F37 F38 A39 L134 L141 | R31-K35 WeakPolarHBondContact O-CG 3.33Å; R31-K35 PolarHBondContact O-N 3.43Å; C32-K35 PolarHBondContact O-N 3.2Å; K35-F37 PolarHBondContact O-N 2.98Å; K35-F38 PolarHBondContact O-N 3.06Å; K35-F38 VanDerWaalsContact O-N 3.11Å; K35-A39 PolarHBondContact O-N 3.02Å; K35-L134 HydrophobicContact CB-CD1 3.7Å; K35-L134 HydrophobicContact CB-CD2 4.16Å; K35-L134 HydrophobicContact CD-CD1 4.43Å; K35-L134 HydrophobicContact CD-CD2 3.4Å; K35-L134 HydrophobicContact CG-CD2 4.46Å; K35-L141 VanDerWaalsContact NZ-CD1 3.27Å |
| 36 | L | 90.9 | Very high | 81.1 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -56.3 | -46.4 | 177 | -77.4 | 169.2 | 0 | 0 | 0 | 111.9 | C32 F38 A39 C40 V92 F95 M96 M127 E130 R131 L134 | C32-L36 PolarHBondContact O-N 3.07Å; L36-F38 VanDerWaalsContact C-N 3.31Å; L36-F38 PolarHBondContact O-N 2.97Å; L36-A39 WeakPolarHBondContact O-CB 3.27Å; L36-A39 PolarHBondContact O-N 3.28Å; L36-A39 VanDerWaalsContact O-N 3.12Å; L36-C40 PolarHBondContact O-N 3.33Å; L36-C40 PolarHBondContact O-SG 2.72Å; L36-V92 HydrophobicContact CD1-CG1 3.64Å; L36-V92 HydrophobicContact CD1-CG2 4.43Å; L36-F95 HydrophobicContact CB-CD1 4.11Å; L36-F95 HydrophobicContact CB-CE1 3.54Å; L36-F95 HydrophobicContact CB-CZ 4.07Å; L36-F95 HydrophobicContact CD1-CD1 3.99Å; L36-F95 HydrophobicContact CD1-CE1 4.19Å; L36-F95 HydrophobicContact CG-CE1 4.45Å; L36-M96 HydrophobicContact CD1-CG 4.45Å; L36-M96 HydrophobicContact CD1-SD 4.14Å; L36-M127 HydrophobicContact CB-CE 4.24Å; L36-M127 HydrophobicContact CD2-CE 3.83Å; L36-E130 HydrophobicContact CD2-CB 4.48Å; L36-R131 HydrophobicContact CD2-CB 4.28Å; L36-L134 HydrophobicContact CD2-CD1 3.71Å; L36-L134 HydrophobicContact CG-CD1 3.68Å |
| 37 | F | 92 | Very high | 81.7 | Confident | 7 Ų | 7 | 66.2 Ų | 66.2 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.6 | -33.1 | 177.4 | -177.6 | -97.5 | 0 | 0 | 0 | 113.7 | C33 Q34 K35 C40 R41 L77 V80 H81 L84 F95 | C33-F37 WeakPolarHBondContact O-CB 3.23Å; C33-F37 PolarHBondContact O-N 3.35Å; Q34-F37 PolarHBondContact O-N 2.66Å; K35-F37 PolarHBondContact O-N 2.98Å; F37-C40 WeakPolarHBondContact O-CB 3.18Å; F37-R41 VanDerWaalsContact O-CB 3.29Å; F37-R41 WeakPolarHBondContact O-CB 3.48Å; F37-R41 PolarHBondContact O-N 2.73Å; F37-L77 HydrophobicContact CE2-CB 4.42Å; F37-L77 HydrophobicContact CE2-CD2 4.3Å; F37-V80 HydrophobicContact CD2-CG1 4.03Å; F37-V80 HydrophobicContact CE2-CG1 4.35Å; F37-H81 HydrophobicContact CE1-CB 4.2Å; F37-H81 AromaticContact CE1-CG 3.91Å; F37-H81 HydrophobicContact CE2-CB 3.84Å; F37-H81 HydrophobicContact CZ-CB 3.5Å; F37-H81 VanDerWaalsContact CZ-CB 3.5Å; F37-H81 AromaticContact CZ-CG 3.65Å; F37-H81 AromaticContact CZ-ND1 3.95Å; F37-L84 HydrophobicContact CB-CD2 3.52Å; F37-L84 HydrophobicContact CD1-CD2 3.9Å; F37-L84 HydrophobicContact CD2-CD2 4.36Å; F37-L84 HydrophobicContact CG-CD2 3.65Å; F37-F95 HydrophobicContact CB-CE2 3.88Å; F37-F95 HydrophobicContact CB-CZ 3.93Å; F37-F95 HydrophobicContact CD2-CE2 4.23Å; F37-F95 HydrophobicContact CD2-CZ 4.44Å |
| 38 | F | 86.8 | Confident | 82.2 | Confident | 114 Ų | 114 | 63.9 Ų | 63.9 | 50% | 0.5 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -69.3 | -36.1 | 172.5 | -81.1 | -64.3 | 0 | 0 | 0 | 112.4 | Q34 K35 L36 R41 N42 | Q34-F38 WeakPolarHBondContact O-CD2 3.44Å; Q34-F38 PolarHBondContact O-N 3.49Å; K35-F38 PolarHBondContact O-N 3.06Å; K35-F38 VanDerWaalsContact O-N 3.11Å; L36-F38 VanDerWaalsContact C-N 3.31Å; L36-F38 PolarHBondContact O-N 2.97Å; F38-R41 PolarHBondContact O-N 3.49Å; F38-N42 VanDerWaalsContact O-CB 3.29Å; F38-N42 WeakPolarHBondContact O-CB 3.42Å; F38-N42 VanDerWaalsContact O-CG 3.24Å; F38-N42 PolarHBondContact O-N 2.89Å; F38-N42 PolarHBondContact O-ND2 2.87Å; F38-N42 VanDerWaalsContact O-ND2 3.16Å |
| 39 | A | 84.9 | Confident | 82.7 | Confident | 17 Ų | 17 | 66.2 Ų | 66.2 | 14% | 0.14 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.5 | -48.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | K35 L36 R41 N42 F43 E130 | K35-A39 PolarHBondContact O-N 3.02Å; L36-A39 WeakPolarHBondContact O-CB 3.27Å; L36-A39 PolarHBondContact O-N 3.28Å; L36-A39 VanDerWaalsContact O-N 3.12Å; A39-R41 PolarHBondContact O-N 3.34Å; A39-N42 PolarHBondContact O-N 2.94Å; A39-N42 VanDerWaalsContact O-N 3.14Å; A39-F43 PolarHBondContact O-N 2.99Å; A39-E130 HydrophobicContact CB-CB 4.44Å; A39-E130 HydrophobicContact CB-CG 3.59Å |
| 40 | C | 81.8 | Confident | 82.8 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -42.3 | -55.2 | 170 | -66.9 | 0 | 0 | 0 | 0 | 110.5 | L36 F37 S52 L77 F123 M127 | L36-C40 PolarHBondContact O-N 3.33Å; L36-C40 PolarHBondContact O-SG 2.72Å; F37-C40 WeakPolarHBondContact O-CB 3.18Å; C40-S52 VanDerWaalsContact O-CB 3.27Å; C40-S52 WeakPolarHBondContact O-CB 3.34Å; C40-L77 HydrophobicContact CB-CD2 4.23Å; C40-F123 HydrophobicContact CB-CZ 3.8Å; C40-F123 WeakPolarHBondContact O-CE2 3.3Å; C40-M127 HydrophobicContact CB-SD 4.29Å; C40-M127 WeakPolarHBondContact SG-CE 3.49Å; C40-M127 PolarHBondContact SG-SD 3.35Å |
| 41 | R | 84.9 | Confident | 83 | Confident | 82 Ų | 82 | 65.2 Ų | 65.2 | 31% | 0.309 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.2 | -39.2 | -173.8 | 168.8 | 170.2 | -176.2 | 82.3 | 16.2 | 113.1 | F37 F38 A39 S52 F56 | F37-R41 VanDerWaalsContact O-CB 3.29Å; F37-R41 WeakPolarHBondContact O-CB 3.48Å; F37-R41 PolarHBondContact O-N 2.73Å; F38-R41 PolarHBondContact O-N 3.49Å; A39-R41 PolarHBondContact O-N 3.34Å; R41-S52 PolarHBondContact O-OG 3.15Å; R41-F56 HydrophobicContact CB-CZ 4.48Å; R41-F56 HydrophobicContact CG-CZ 4.1Å |
| 42 | N | 81.6 | Confident | 83.1 | Confident | 87 Ų | 87 | 60.1 Ų | 60.1 | 47% | 0.465 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -99 | -5.7 | -168.2 | -65.9 | -26.8 | 0 | 0 | 0 | 114.3 | F38 A39 R44 Y50 | F38-N42 VanDerWaalsContact O-CB 3.29Å; F38-N42 WeakPolarHBondContact O-CB 3.42Å; F38-N42 VanDerWaalsContact O-CG 3.24Å; F38-N42 PolarHBondContact O-N 2.89Å; F38-N42 PolarHBondContact O-ND2 2.87Å; F38-N42 VanDerWaalsContact O-ND2 3.16Å; A39-N42 PolarHBondContact O-N 2.94Å; A39-N42 VanDerWaalsContact O-N 3.14Å; N42-R44 PolarHBondContact O-N 3.45Å; N42-Y50 WeakPolarHBondContact O-CE1 3.42Å |
| 43 | F | 80.9 | Confident | 83 | Confident | 59 Ų | 59 | 63.8 Ų | 63.8 | 26% | 0.259 | 30% | 0.295 | S | S | . | . | trans | -62.8 | 133.3 | -179 | -179.9 | -136 | 0 | 0 | 0 | 112.7 | A39 Y50 I51 F123 M126 | A39-F43 PolarHBondContact O-N 2.99Å; F43-Y50 WeakPolarHBondContact O-CA 3.42Å; F43-Y50 WeakPolarHBondContact O-CD1 3.37Å; F43-I51 HydrophobicContact CD1-CB 4.18Å; F43-I51 HydrophobicContact CD1-CD1 4Å; F43-I51 HydrophobicContact CD1-CG1 4.27Å; F43-I51 HydrophobicContact CE1-CB 4.49Å; F43-I51 HydrophobicContact CE1-CD1 3.47Å; F43-I51 VanDerWaalsContact CE1-CD1 3.47Å; F43-I51 HydrophobicContact CE1-CG1 4.22Å; F43-I51 HydrophobicContact CZ-CD1 4.12Å; F43-I51 PolarHBondContact O-N 3.42Å; F43-F123 HydrophobicContact CD1-CD2 4.43Å; F43-M126 HydrophobicContact CB-CE 3.76Å; F43-M126 HydrophobicContact CB-CG 4.39Å; F43-M126 HydrophobicContact CB-SD 4.23Å; F43-M126 HydrophobicContact CD1-CB 3.9Å; F43-M126 HydrophobicContact CD1-CE 3.58Å; F43-M126 HydrophobicContact CD1-CG 3.68Å; F43-M126 HydrophobicContact CD1-SD 4.3Å; F43-M126 HydrophobicContact CD2-CG 3.68Å; F43-M126 HydrophobicContact CE1-CB 3.48Å; F43-M126 VanDerWaalsContact CE1-CB 3.48Å; F43-M126 HydrophobicContact CE1-CE 4.32Å; F43-M126 HydrophobicContact CE1-CG 3.69Å; F43-M126 HydrophobicContact CE2-CB 4.2Å; F43-M126 HydrophobicContact CE2-CG 3.74Å; F43-M126 HydrophobicContact CG-CB 4.39Å; F43-M126 HydrophobicContact CG-CE 3.81Å; F43-M126 HydrophobicContact CG-CG 3.66Å; F43-M126 HydrophobicContact CG-SD 4.14Å; F43-M126 HydrophobicContact CZ-CB 3.68Å; F43-M126 HydrophobicContact CZ-CG 3.75Å | ||
| 44 | R | 81.9 | Confident | 82.7 | Confident | 128 Ų | 128 | 65.7 Ų | 65.7 | 48% | 0.483 | 31% | 0.305 | S | S | . | . | B | Isolated β-bridge | trans | -119.7 | 146.3 | 174.7 | -67.9 | 176.6 | 176.1 | -122.3 | 10.5 | 110.3 | N42 G48 R49 Y50 | N42-R44 PolarHBondContact O-N 3.45Å; R44-G48 WeakPolarHBondContact CD-O 3.49Å; R44-G48 PolarHBondContact NH1-O 2.87Å; R44-R49 CarbonylContact C-O 3.52Å; R44-R49 WeakPolarHBondContact CA-O 3.44Å; R44-Y50 HydrophobicContact CG-CD1 3.74Å; R44-Y50 HydrophobicContact CG-CE1 3.76Å; R44-Y50 HydrophobicContact CG-CG 4.19Å; R44-Y50 VanDerWaalsContact NE-CZ 3.26Å; R44-Y50 PolarHBondContact NE-OH 3.16Å; R44-Y50 PolarHBondContact NH2-OH 3.21Å |
| 45 | N | 76.1 | Confident | 82.8 | Confident | 35 Ų | 35 | 61.8 Ų | 61.8 | 19% | 0.187 | 29% | 0.287 | C | S | . | . | trans | -79.2 | -176.3 | 169.3 | 68.8 | -0.9 | 0 | 0 | 0 | 111.9 | E47 G48 R49 I51 | N45-E47 VanDerWaalsContact C-N 3.28Å; N45-E47 PolarHBondContact ND2-OE2 2.93Å; N45-E47 PolarHBondContact O-N 3Å; N45-E47 PolarHBondContact OD1-N 2.94Å; N45-E47 PolarHBondContact OD1-OE2 2.78Å; N45-G48 WeakPolarHBondContact O-CA 3.45Å; N45-G48 PolarHBondContact O-N 3.28Å; N45-G48 PolarHBondContact OD1-N 2.86Å; N45-R49 PolarHBondContact N-O 3.14Å; N45-R49 WeakPolarHBondContact OD1-CA 3.37Å; N45-R49 WeakPolarHBondContact OD1-CB 3.47Å; N45-R49 PolarHBondContact OD1-N 2.94Å; N45-R49 PolarHBondContact OD1-O 2.97Å; N45-I51 HydrophobicContact CB-CD1 3.77Å; N45-I51 HydrophobicContact CB-CG1 3.85Å | ||
| 46 | E | 74.1 | Confident | 82.7 | Confident | 197 Ų | 197 | 60.8 Ų | 60.8 | 92% | 0.921 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -31.5 | -179.6 | -63.7 | -179.2 | -171.1 | 0 | 0 | 112.3 | G48 | E46-G48 PolarHBondContact O-N 2.98Š|
| 47 | E | 75.6 | Confident | 82.4 | Confident | 155 Ų | 155 | 70.1 Ų | 70.1 | 72% | 0.724 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | 2.2 | 171.5 | -52.8 | 83.3 | 175.4 | 0 | 0 | 113.4 | N45 R49 | N45-E47 VanDerWaalsContact C-N 3.28Å; N45-E47 PolarHBondContact ND2-OE2 2.93Å; N45-E47 PolarHBondContact O-N 3Å; N45-E47 PolarHBondContact OD1-N 2.94Å; N45-E47 PolarHBondContact OD1-OE2 2.78Å; E47-R49 VanDerWaalsContact C-N 3.26Å; E47-R49 PolarHBondContact O-N 2.86Å |
| 48 | G | 75 | Confident | 82.1 | Confident | 26 Ų | 26 | 70.8 Ų | 70.8 | 27% | 0.268 | 32% | 0.323 | S | S | . | . | S | Bend | trans | 75.3 | 3.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | R44 N45 E46 | R44-G48 WeakPolarHBondContact CD-O 3.49Å; R44-G48 PolarHBondContact NH1-O 2.87Å; N45-G48 WeakPolarHBondContact O-CA 3.45Å; N45-G48 PolarHBondContact O-N 3.28Å; N45-G48 PolarHBondContact OD1-N 2.86Å; E46-G48 PolarHBondContact O-N 2.98Å |
| 49 | R | 82.1 | Confident | 82 | Confident | 106 Ų | 106 | 67 Ų | 67 | 40% | 0.4 | 31% | 0.31 | S | S | . | . | trans | -72.6 | 140.9 | 174.2 | 175.7 | -177.2 | 175.6 | -135.1 | -3.2 | 110.2 | R44 N45 E47 I51 D119 | R44-R49 CarbonylContact C-O 3.52Å; R44-R49 WeakPolarHBondContact CA-O 3.44Å; N45-R49 PolarHBondContact N-O 3.14Å; N45-R49 WeakPolarHBondContact OD1-CA 3.37Å; N45-R49 WeakPolarHBondContact OD1-CB 3.47Å; N45-R49 PolarHBondContact OD1-N 2.94Å; N45-R49 PolarHBondContact OD1-O 2.97Å; E47-R49 VanDerWaalsContact C-N 3.26Å; E47-R49 PolarHBondContact O-N 2.86Å; R49-I51 PolarHBondContact O-N 2.76Å; R49-D119 IonicContact CZ-OD2 2.76Å; R49-D119 IonicContact NH1-OD1 3.52Å; R49-D119 IonicContact NH1-OD2 3.47Å; R49-D119 PolarHBondContact NH1-OD2 2.99Å; R49-D119 IonicContact NH2-OD2 3.18Å | ||
| 50 | Y | 81.8 | Confident | 81.8 | Confident | 70 Ų | 70 | 69.3 Ų | 69.3 | 28% | 0.275 | 33% | 0.325 | S | S | . | . | B | Isolated β-bridge | trans | -75.3 | 111.9 | 174.3 | -72.2 | -79.1 | 0 | 0 | 0 | 110.3 | N42 F43 R44 S52 D53 | N42-Y50 WeakPolarHBondContact O-CE1 3.42Å; F43-Y50 WeakPolarHBondContact O-CA 3.42Å; F43-Y50 WeakPolarHBondContact O-CD1 3.37Å; R44-Y50 HydrophobicContact CG-CD1 3.74Å; R44-Y50 HydrophobicContact CG-CE1 3.76Å; R44-Y50 HydrophobicContact CG-CG 4.19Å; R44-Y50 VanDerWaalsContact NE-CZ 3.26Å; R44-Y50 PolarHBondContact NE-OH 3.16Å; R44-Y50 PolarHBondContact NH2-OH 3.21Å; Y50-S52 PolarHBondContact O-N 2.97Å; Y50-D53 WeakPolarHBondContact O-CB 3.41Å; Y50-D53 PolarHBondContact O-N 3.43Å; Y50-D53 VanDerWaalsContact O-N 3.13Å |
| 51 | I | 83.4 | Confident | 81.8 | Confident | 3 Ų | 3 | 76.3 Ų | 76.3 | 2% | 0.015 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -64.7 | -24.7 | 177.9 | -55.6 | -171.5 | 0 | 0 | 0 | 110.9 | F43 N45 R49 D53 F55 D119 F123 | F43-I51 HydrophobicContact CD1-CB 4.18Å; F43-I51 HydrophobicContact CD1-CD1 4Å; F43-I51 HydrophobicContact CD1-CG1 4.27Å; F43-I51 HydrophobicContact CE1-CB 4.49Å; F43-I51 HydrophobicContact CE1-CD1 3.47Å; F43-I51 VanDerWaalsContact CE1-CD1 3.47Å; F43-I51 HydrophobicContact CE1-CG1 4.22Å; F43-I51 HydrophobicContact CZ-CD1 4.12Å; F43-I51 PolarHBondContact O-N 3.42Å; N45-I51 HydrophobicContact CB-CD1 3.77Å; N45-I51 HydrophobicContact CB-CG1 3.85Å; R49-I51 PolarHBondContact O-N 2.76Å; I51-D53 PolarHBondContact O-N 2.93Å; I51-D53 VanDerWaalsContact O-N 3.16Å; I51-F55 HydrophobicContact CG2-CE2 4.14Å; I51-F55 WeakPolarHBondContact O-CD2 3.36Å; I51-D119 HydrophobicContact CG2-CB 3.75Å; I51-D119 WeakPolarHBondContact CG2-O 3.39Å; I51-F123 HydrophobicContact CB-CD2 4.3Å; I51-F123 HydrophobicContact CG2-CB 4Å; I51-F123 HydrophobicContact CG2-CD2 3.99Å; I51-F123 HydrophobicContact CG2-CG 4.5Å |
| 52 | S | 83.5 | Confident | 81.7 | Confident | 1 Ų | 1 | 82.1 Ų | 82.1 | 1% | 0.007 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -61.4 | -17.5 | 174.3 | 56.8 | 0 | 0 | 0 | 0 | 115 | C40 R41 Y50 I54 F55 F56 | C40-S52 VanDerWaalsContact O-CB 3.27Å; C40-S52 WeakPolarHBondContact O-CB 3.34Å; R41-S52 PolarHBondContact O-OG 3.15Å; Y50-S52 PolarHBondContact O-N 2.97Å; S52-I54 PolarHBondContact O-N 2.83Å; S52-F55 CarbonylContact O-C 3.5Å; S52-F55 PolarHBondContact O-N 3.2Å; S52-F56 WeakPolarHBondContact O-CD2 3.4Å; S52-F56 PolarHBondContact O-N 2.92Å; S52-F56 VanDerWaalsContact O-N 3.16Å |
| 53 | D | 82.2 | Confident | 81.7 | Confident | 90 Ų | 90 | 81.9 Ų | 81.9 | 48% | 0.481 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -62.1 | -40.4 | -175.2 | -73 | -19.9 | 0 | 0 | 0 | 112.9 | Y50 I51 F55 | Y50-D53 WeakPolarHBondContact O-CB 3.41Å; Y50-D53 PolarHBondContact O-N 3.43Å; Y50-D53 VanDerWaalsContact O-N 3.13Å; I51-D53 PolarHBondContact O-N 2.93Å; I51-D53 VanDerWaalsContact O-N 3.16Å; D53-F55 PolarHBondContact O-N 3.37Å |
| 54 | I | 83.9 | Confident | 81.8 | Confident | 42 Ų | 42 | 79.6 Ų | 79.6 | 22% | 0.215 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -71.4 | -19.1 | 176.2 | 69.9 | 173.5 | 0 | 0 | 0 | 112.7 | S52 E116 D119 | S52-I54 PolarHBondContact O-N 2.83Å; I54-E116 HydrophobicContact CD1-CB 4.02Å; I54-E116 HydrophobicContact CD1-CG 4.15Å; I54-E116 HydrophobicContact CG2-CG 4.48Å; I54-D119 HydrophobicContact CD1-CB 3.56Å |
| 55 | F | 88.4 | Confident | 81.9 | Confident | 10 Ų | 10 | 77.4 Ų | 77.4 | 4% | 0.044 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -97.8 | -4.8 | -176.4 | -64.8 | -62.5 | 0 | 0 | 0 | 114 | I51 S52 D53 R57 D76 L77 M102 I103 A106 A120 F123 | I51-F55 HydrophobicContact CG2-CE2 4.14Å; I51-F55 WeakPolarHBondContact O-CD2 3.36Å; S52-F55 CarbonylContact O-C 3.5Å; S52-F55 PolarHBondContact O-N 3.2Å; D53-F55 PolarHBondContact O-N 3.37Å; F55-R57 VanDerWaalsContact C-N 3.32Å; F55-R57 PolarHBondContact O-N 2.87Å; F55-D76 WeakPolarHBondContact O-CB 3.25Å; F55-L77 HydrophobicContact CB-CD1 3.77Å; F55-L77 HydrophobicContact CB-CG 3.97Å; F55-L77 WeakPolarHBondContact O-CG 3.35Å; F55-L77 PolarHBondContact O-N 2.92Å; F55-M102 HydrophobicContact CB-CE 3.74Å; F55-M102 HydrophobicContact CB-SD 3.82Å; F55-M102 HydrophobicContact CD1-CE 3.74Å; F55-M102 HydrophobicContact CD1-CG 3.9Å; F55-M102 HydrophobicContact CD1-SD 4.06Å; F55-M102 HydrophobicContact CD2-CE 4.39Å; F55-M102 HydrophobicContact CG-CE 3.68Å; F55-M102 HydrophobicContact CG-SD 4.21Å; F55-I103 HydrophobicContact CE1-CD1 3.85Å; F55-I103 HydrophobicContact CE2-CD1 4.23Å; F55-I103 HydrophobicContact CZ-CD1 3.69Å; F55-A106 HydrophobicContact CE1-CB 3.95Å; F55-A120 HydrophobicContact CE1-CB 4.45Å; F55-A120 HydrophobicContact CZ-CB 3.79Å; F55-F123 AromaticContact CD2-CD2 3.94Å; F55-F123 HydrophobicContact CD2-CD2 3.94Å; F55-F123 HydrophobicContact CD2-CE2 4.19Å; F55-F123 HydrophobicContact CD2-CG 4.2Å; F55-F123 HydrophobicContact CE2-CB 4Å; F55-F123 HydrophobicContact CE2-CD2 4.12Å; F55-F123 HydrophobicContact CE2-CG 4.04Å |
| 56 | F | 84.6 | Confident | 82.6 | Confident | 47 Ų | 47 | 78.9 Ų | 78.9 | 21% | 0.206 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -69.4 | -26.6 | -177.4 | -94 | -62.5 | 0 | 0 | 0 | 114.8 | R41 S52 L77 T78 | R41-F56 HydrophobicContact CB-CZ 4.48Å; R41-F56 HydrophobicContact CG-CZ 4.1Å; S52-F56 WeakPolarHBondContact O-CD2 3.4Å; S52-F56 PolarHBondContact O-N 2.92Å; S52-F56 VanDerWaalsContact O-N 3.16Å; F56-L77 HydrophobicContact CD1-CB 3.97Å; F56-L77 HydrophobicContact CD1-CD1 4.49Å; F56-L77 HydrophobicContact CE1-CB 4.16Å; F56-L77 HydrophobicContact CE1-CD1 4.36Å; F56-L77 HydrophobicContact CZ-CD1 4.42Å; F56-T78 PolarHBondContact O-N 2.7Å; F56-T78 PolarHBondContact O-OG1 3.05Å |
| 57 | R | 84.9 | Confident | 83.4 | Confident | 197 Ų | 197 | 70.1 Ų | 70.1 | 74% | 0.743 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -149.9 | 136.6 | 179.9 | -68.4 | -174.1 | 174 | 174.2 | -1.7 | 110.9 | F55 D76 | F55-R57 VanDerWaalsContact C-N 3.32Å; F55-R57 PolarHBondContact O-N 2.87Å; R57-D76 WeakPolarHBondContact CA-OD2 3.4Å |
| 58 | C | 86.7 | Confident | 84 | Confident | 20 Ų | 20 | 66.2 Ų | 66.2 | 14% | 0.135 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -55.4 | 145.4 | 163.7 | -66.9 | 0 | 0 | 0 | 0 | 110.5 | S60 Y67 D76 | C58-S60 PolarHBondContact O-N 2.87Å; C58-Y67 HydrophobicContact CB-CE1 4.17Å; C58-D76 PolarHBondContact N-OD2 3.43Å |
| 59 | P | 83.8 | Confident | 84.5 | Confident | 35 Ų | 35 | 71 Ų | 71 | 23% | 0.227 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -49.7 | 138 | 170.7 | -28.6 | 36.6 | 0 | 0 | 0 | 111.2 | A64 Y67 Y68 | P59-A64 HydrophobicContact CB-CB 3.76Å; P59-Y67 HydrophobicContact CB-CG 4.35Å; P59-Y67 HydrophobicContact CG-CD2 3.81Å; P59-Y67 HydrophobicContact CG-CE2 4.07Å; P59-Y67 HydrophobicContact CG-CG 4.1Å; P59-Y68 WeakPolarHBondContact O-CE2 3.48Å; P59-Y68 PolarHBondContact O-OH 2.99Å |
| 60 | S | 81.3 | Confident | 84.8 | Confident | 65 Ų | 65 | 72 Ų | 72 | 46% | 0.455 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 144.8 | -175.1 | 89.2 | 0 | 0 | 0 | 0 | 111.7 | C58 K62 A63 A64 | C58-S60 PolarHBondContact O-N 2.87Å; S60-K62 PolarHBondContact O-N 3.35Å; S60-K62 PolarHBondContact OG-N 3.44Å; S60-A63 PolarHBondContact O-N 2.98Å; S60-A63 WeakPolarHBondContact OG-CB 3.39Å; S60-A63 PolarHBondContact OG-N 2.93Å; S60-A64 PolarHBondContact O-N 2.82Å |
| 61 | K | 81.7 | Confident | 85.3 | Confident | 147 Ų | 147 | 68.8 Ų | 68.8 | 64% | 0.639 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -12.5 | 174.4 | -75.8 | -168 | 173.4 | -166 | 0 | 115.4 | Y68 | K61-Y68 HydrophobicContact CB-CD2 4.39Å; K61-Y68 HydrophobicContact CB-CE2 4.1Å; K61-Y68 HydrophobicContact CD-CD1 4.45Å; K61-Y68 HydrophobicContact CD-CD2 4.44Å; K61-Y68 HydrophobicContact CD-CE1 4.44Å; K61-Y68 HydrophobicContact CD-CE2 4.41Å; K61-Y68 HydrophobicContact CD-CG 4.42Å; K61-Y68 HydrophobicContact CG-CD1 4.19Å; K61-Y68 HydrophobicContact CG-CD2 3.49Å; K61-Y68 VanDerWaalsContact CG-CD2 3.49Å; K61-Y68 HydrophobicContact CG-CE1 4.01Å; K61-Y68 HydrophobicContact CG-CE2 3.25Å; K61-Y68 HydrophobicContact CG-CG 3.93Å |
| 62 | K | 81.8 | Confident | 85.5 | Confident | 204 Ų | 204 | 79.3 Ų | 79.3 | 89% | 0.887 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -17.9 | 174.4 | -68.3 | -169.9 | 174.9 | -170.1 | 0 | 114.1 | S60 | S60-K62 PolarHBondContact O-N 3.35Å; S60-K62 PolarHBondContact OG-N 3.44Å |
| 63 | A | 81.4 | Confident | 85.7 | Confident | 82 Ų | 82 | 84.3 Ų | 84.3 | 68% | 0.678 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | -41.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S60 | S60-A63 PolarHBondContact O-N 2.98Å; S60-A63 WeakPolarHBondContact OG-CB 3.39Å; S60-A63 PolarHBondContact OG-N 2.93Å |
| 64 | A | 82.8 | Confident | 86.1 | Confident | 11 Ų | 11 | 82.5 Ų | 82.5 | 9% | 0.091 | 41% | 0.407 | C | S | . | . | trans | -132.1 | 83 | 173.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | P59 S60 D66 Y67 | P59-A64 HydrophobicContact CB-CB 3.76Å; S60-A64 PolarHBondContact O-N 2.82Å; A64-D66 VanDerWaalsContact C-N 3.28Å; A64-D66 VanDerWaalsContact C-OD1 3.28Å; A64-D66 WeakPolarHBondContact CA-OD1 3.19Å; A64-Y67 WeakPolarHBondContact O-CB 3.47Å; A64-Y67 PolarHBondContact O-N 3.06Å | ||
| 65 | P | 85.6 | Confident | 86.5 | Confident | 83 Ų | 83 | 81 Ų | 81 | 54% | 0.539 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -31.7 | 179 | 28.5 | -33.9 | 0 | 0 | 0 | 112.1 | Y68 | P65-Y68 PolarHBondContact O-N 3.17Š|
| 66 | D | 90.4 | Very high | 86.6 | Confident | 65 Ų | 65 | 81.6 Ų | 81.6 | 35% | 0.348 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -30.7 | 175.8 | 61.2 | -56.7 | 0 | 0 | 0 | 113.7 | A64 Y68 V69 R70 Y109 | A64-D66 VanDerWaalsContact C-N 3.28Å; A64-D66 VanDerWaalsContact C-OD1 3.28Å; A64-D66 WeakPolarHBondContact CA-OD1 3.19Å; D66-Y68 PolarHBondContact O-N 3.37Å; D66-V69 WeakPolarHBondContact O-CA 3.32Å; D66-V69 WeakPolarHBondContact O-CB 3.49Å; D66-V69 PolarHBondContact O-N 3.03Å; D66-R70 PolarHBondContact O-N 3.07Å; D66-Y109 PolarHBondContact OD1-OH 3.1Å; D66-Y109 WeakPolarHBondContact OD2-CE2 3.22Å; D66-Y109 PolarHBondContact OD2-OH 3.15Å |
| 67 | Y | 89.9 | Confident | 86.9 | Confident | 13 Ų | 13 | 79.3 Ų | 79.3 | 5% | 0.051 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -52.4 | -43.7 | 172.3 | -179.5 | -89.7 | 0 | 0 | 0 | 111.2 | C58 P59 A64 V69 I71 P74 Y109 | C58-Y67 HydrophobicContact CB-CE1 4.17Å; P59-Y67 HydrophobicContact CB-CG 4.35Å; P59-Y67 HydrophobicContact CG-CD2 3.81Å; P59-Y67 HydrophobicContact CG-CE2 4.07Å; P59-Y67 HydrophobicContact CG-CG 4.1Å; A64-Y67 WeakPolarHBondContact O-CB 3.47Å; A64-Y67 PolarHBondContact O-N 3.06Å; Y67-V69 PolarHBondContact O-N 3.21Å; Y67-I71 HydrophobicContact CD1-CB 4.44Å; Y67-I71 HydrophobicContact CD2-CG1 4.06Å; Y67-I71 HydrophobicContact CE1-CB 4.11Å; Y67-I71 HydrophobicContact CE1-CG1 4.26Å; Y67-I71 HydrophobicContact CE1-CG2 4.25Å; Y67-I71 HydrophobicContact CE2-CG1 3.79Å; Y67-I71 HydrophobicContact CG-CG1 4.41Å; Y67-I71 VanDerWaalsContact O-CB 3.27Å; Y67-I71 WeakPolarHBondContact O-CB 3.49Å; Y67-I71 WeakPolarHBondContact O-CG1 3.33Å; Y67-I71 PolarHBondContact O-N 3.29Å; Y67-P74 HydrophobicContact CE1-CB 4.18Å; Y67-P74 HydrophobicContact CE1-CG 4.34Å; Y67-Y109 VanDerWaalsContact CA-CE2 3.47Å; Y67-Y109 AromaticContact CD2-CD1 3.77Å; Y67-Y109 HydrophobicContact CD2-CD1 3.77Å; Y67-Y109 AromaticContact CD2-CD2 3.62Å; Y67-Y109 HydrophobicContact CD2-CD2 3.62Å; Y67-Y109 HydrophobicContact CD2-CE1 4.08Å; Y67-Y109 AromaticContact CD2-CE2 3.99Å; Y67-Y109 HydrophobicContact CD2-CE2 3.99Å; Y67-Y109 AromaticContact CD2-CG 3.53Å; Y67-Y109 HydrophobicContact CD2-CG 3.53Å; Y67-Y109 HydrophobicContact CE2-CD1 4.31Å; Y67-Y109 HydrophobicContact CE2-CD2 4.46Å; Y67-Y109 HydrophobicContact CE2-CG 4.04Å; Y67-Y109 HydrophobicContact CG-CD2 4.31Å; Y67-Y109 HydrophobicContact CG-CE2 4.39Å |
| 68 | Y | 89 | Confident | 87.2 | Confident | 73 Ų | 73 | 72.5 Ų | 72.5 | 29% | 0.286 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -81.2 | 2 | 179.4 | -63.6 | -90 | 0 | 0 | 0 | 114.3 | P59 K61 P65 D66 P74 | P59-Y68 WeakPolarHBondContact O-CE2 3.48Å; P59-Y68 PolarHBondContact O-OH 2.99Å; K61-Y68 HydrophobicContact CB-CD2 4.39Å; K61-Y68 HydrophobicContact CB-CE2 4.1Å; K61-Y68 HydrophobicContact CD-CD1 4.45Å; K61-Y68 HydrophobicContact CD-CD2 4.44Å; K61-Y68 HydrophobicContact CD-CE1 4.44Å; K61-Y68 HydrophobicContact CD-CE2 4.41Å; K61-Y68 HydrophobicContact CD-CG 4.42Å; K61-Y68 HydrophobicContact CG-CD1 4.19Å; K61-Y68 HydrophobicContact CG-CD2 3.49Å; K61-Y68 VanDerWaalsContact CG-CD2 3.49Å; K61-Y68 HydrophobicContact CG-CE1 4.01Å; K61-Y68 HydrophobicContact CG-CE2 3.25Å; K61-Y68 HydrophobicContact CG-CG 3.93Å; P65-Y68 PolarHBondContact O-N 3.17Å; D66-Y68 PolarHBondContact O-N 3.37Å; Y68-P74 HydrophobicContact CD1-CB 4.47Å; Y68-P74 HydrophobicContact CD1-CG 3.7Å; Y68-P74 HydrophobicContact CE1-CB 4.07Å; Y68-P74 HydrophobicContact CE1-CG 3.8Å |
| 69 | V | 86 | Confident | 87.4 | Confident | 126 Ų | 126 | 74.2 Ų | 74.2 | 76% | 0.764 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -100 | -38 | 171.8 | -177.8 | 0 | 0 | 0 | 0 | 110.3 | D66 Y67 | D66-V69 WeakPolarHBondContact O-CA 3.32Å; D66-V69 WeakPolarHBondContact O-CB 3.49Å; D66-V69 PolarHBondContact O-N 3.03Å; Y67-V69 PolarHBondContact O-N 3.21Å |
| 70 | R | 88.1 | Confident | 87.7 | Confident | 128 Ų | 128 | 72.5 Ų | 72.5 | 48% | 0.483 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -74.3 | -57.2 | 171.2 | -62.5 | -172.4 | -176.3 | -170.6 | 2 | 111.1 | D66 R72 Y109 | D66-R70 PolarHBondContact O-N 3.07Å; R70-R72 PolarHBondContact O-N 3.37Å; R70-Y109 PolarHBondContact NH1-O 3.44Å |
| 71 | I | 91.3 | Very high | 88.2 | Confident | 3 Ų | 3 | 71.4 Ų | 71.4 | 2% | 0.015 | 36% | 0.36 | C | S | . | . | trans | -85 | 109.5 | -168.5 | -54.1 | -48 | 0 | 0 | 0 | 111.4 | Y67 P74 N105 E108 | Y67-I71 HydrophobicContact CD1-CB 4.44Å; Y67-I71 HydrophobicContact CD2-CG1 4.06Å; Y67-I71 HydrophobicContact CE1-CB 4.11Å; Y67-I71 HydrophobicContact CE1-CG1 4.26Å; Y67-I71 HydrophobicContact CE1-CG2 4.25Å; Y67-I71 HydrophobicContact CE2-CG1 3.79Å; Y67-I71 HydrophobicContact CG-CG1 4.41Å; Y67-I71 VanDerWaalsContact O-CB 3.27Å; Y67-I71 WeakPolarHBondContact O-CB 3.49Å; Y67-I71 WeakPolarHBondContact O-CG1 3.33Å; Y67-I71 PolarHBondContact O-N 3.29Å; I71-P74 HydrophobicContact CG2-CG 4.4Å; I71-N105 VanDerWaalsContact CD1-O 3.24Å; I71-N105 WeakPolarHBondContact CD1-O 3.49Å; I71-N105 HydrophobicContact CG2-CB 3.81Å; I71-N105 WeakPolarHBondContact CG2-OD1 3.46Å; I71-E108 HydrophobicContact CD1-CB 3.72Å; I71-E108 HydrophobicContact CD1-CG 3.74Å; I71-E108 WeakPolarHBondContact CD1-OE2 3.38Å | ||
| 72 | R | 87.6 | Confident | 88.5 | Confident | 223 Ų | 223 | 70.6 Ų | 70.6 | 84% | 0.842 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -71.5 | -37.5 | -175.4 | -61.4 | -176.9 | -176.6 | -172.8 | 1.3 | 114 | R70 P74 | R70-R72 PolarHBondContact O-N 3.37Å; R72-P74 VanDerWaalsContact C-CD 3.49Å; R72-P74 WeakPolarHBondContact O-CD 3.27Å |
| 73 | N | 87.9 | Confident | 88.9 | Confident | 106 Ų | 106 | 63.3 Ų | 63.3 | 57% | 0.567 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -123.6 | 72.9 | -176.4 | -64.9 | -40.2 | 0 | 0 | 0 | 111.5 | I75 L101 N105 | N73-I75 PolarHBondContact O-N 3.11Å; N73-L101 HydrophobicContact CB-CD1 4.25Å; N73-L101 HydrophobicContact CB-CD2 3.97Å; N73-N105 PolarHBondContact O-ND2 3.23Å |
| 74 | P | 90.3 | Very high | 89.3 | Confident | 52 Ų | 52 | 60.4 Ų | 60.4 | 34% | 0.338 | 30% | 0.3 | S | S | . | . | trans | -55.9 | 126.4 | 177.1 | -25.9 | 35.4 | 0 | 0 | 0 | 112.4 | Y67 Y68 I71 R72 | Y67-P74 HydrophobicContact CE1-CB 4.18Å; Y67-P74 HydrophobicContact CE1-CG 4.34Å; Y68-P74 HydrophobicContact CD1-CB 4.47Å; Y68-P74 HydrophobicContact CD1-CG 3.7Å; Y68-P74 HydrophobicContact CE1-CB 4.07Å; Y68-P74 HydrophobicContact CE1-CG 3.8Å; I71-P74 HydrophobicContact CG2-CG 4.4Å; R72-P74 VanDerWaalsContact C-CD 3.49Å; R72-P74 WeakPolarHBondContact O-CD 3.27Å | ||
| 75 | I | 92.7 | Very high | 89.3 | Confident | 12 Ų | 12 | 65.5 Ų | 65.5 | 6% | 0.062 | 32% | 0.32 | C | S | . | . | trans | -143.8 | 147.2 | 175.9 | -168.3 | 168.7 | 0 | 0 | 0 | 109.3 | N73 V79 V80 D98 L101 M102 | N73-I75 PolarHBondContact O-N 3.11Å; I75-V79 HydrophobicContact CD1-CG1 4.33Å; I75-V79 HydrophobicContact CG1-CB 4.04Å; I75-V79 HydrophobicContact CG1-CG1 3.97Å; I75-V80 HydrophobicContact CD1-CG2 4.05Å; I75-V80 HydrophobicContact CG1-CG2 4.2Å; I75-D98 HydrophobicContact CD1-CB 3.69Å; I75-L101 HydrophobicContact CB-CD2 4.47Å; I75-L101 HydrophobicContact CG2-CB 4.18Å; I75-L101 HydrophobicContact CG2-CD2 3.93Å; I75-L101 HydrophobicContact CG2-CG 3.78Å; I75-M102 HydrophobicContact CG2-CB 3.86Å; I75-M102 HydrophobicContact CG2-CG 4.46Å | ||
| 76 | D | 92 | Very high | 89.1 | Confident | 21 Ų | 21 | 64.1 Ų | 64.1 | 11% | 0.112 | 31% | 0.312 | C | S | . | . | trans | -145 | 171.9 | 179.2 | 61 | 42.9 | 0 | 0 | 0 | 111 | F55 R57 C58 T78 V79 V80 | F55-D76 WeakPolarHBondContact O-CB 3.25Å; R57-D76 WeakPolarHBondContact CA-OD2 3.4Å; C58-D76 PolarHBondContact N-OD2 3.43Å; D76-T78 PolarHBondContact O-N 3.14Å; D76-T78 VanDerWaalsContact O-N 3.15Å; D76-T78 VanDerWaalsContact OD1-CA 3.27Å; D76-T78 WeakPolarHBondContact OD1-CA 3.16Å; D76-T78 WeakPolarHBondContact OD1-CB 3.22Å; D76-T78 PolarHBondContact OD1-N 3.17Å; D76-V79 PolarHBondContact O-N 3.37Å; D76-V79 VanDerWaalsContact O-N 3.07Å; D76-V79 PolarHBondContact OD1-N 3.36Å; D76-V80 WeakPolarHBondContact O-CG2 3.27Å; D76-V80 PolarHBondContact O-N 2.91Å | ||
| 77 | L | 90.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.5 | -12.4 | 178.5 | -64.4 | 172.8 | 0 | 0 | 0 | 113.5 | F37 C40 F55 F56 H81 M102 F123 | F37-L77 HydrophobicContact CE2-CB 4.42Å; F37-L77 HydrophobicContact CE2-CD2 4.3Å; C40-L77 HydrophobicContact CB-CD2 4.23Å; F55-L77 HydrophobicContact CB-CD1 3.77Å; F55-L77 HydrophobicContact CB-CG 3.97Å; F55-L77 WeakPolarHBondContact O-CG 3.35Å; F55-L77 PolarHBondContact O-N 2.92Å; F56-L77 HydrophobicContact CD1-CB 3.97Å; F56-L77 HydrophobicContact CD1-CD1 4.49Å; F56-L77 HydrophobicContact CE1-CB 4.16Å; F56-L77 HydrophobicContact CE1-CD1 4.36Å; F56-L77 HydrophobicContact CZ-CD1 4.42Å; L77-H81 WeakPolarHBondContact O-CB 3.44Å; L77-H81 PolarHBondContact O-N 2.57Å; L77-M102 HydrophobicContact CD2-CE 3.92Å; L77-M102 HydrophobicContact CD2-SD 3.86Å; L77-M102 HydrophobicContact CG-CE 4.14Å; L77-M102 HydrophobicContact CG-SD 3.77Å; L77-F123 HydrophobicContact CD1-CZ 4.47Å |
| 78 | T | 89.7 | Confident | 88.3 | Confident | 53 Ų | 53 | 71 Ų | 71 | 33% | 0.325 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -74.8 | -46.9 | 168.7 | -59.3 | 0 | 0 | 0 | 0 | 109.9 | F56 D76 H81 E82 | F56-T78 PolarHBondContact O-N 2.7Å; F56-T78 PolarHBondContact O-OG1 3.05Å; D76-T78 PolarHBondContact O-N 3.14Å; D76-T78 VanDerWaalsContact O-N 3.15Å; D76-T78 VanDerWaalsContact OD1-CA 3.27Å; D76-T78 WeakPolarHBondContact OD1-CA 3.16Å; D76-T78 WeakPolarHBondContact OD1-CB 3.22Å; D76-T78 PolarHBondContact OD1-N 3.17Å; T78-H81 PolarHBondContact O-N 3.41Å; T78-E82 WeakPolarHBondContact O-CG 3.49Å; T78-E82 PolarHBondContact O-N 3.2Å |
| 79 | V | 91.2 | Very high | 88.2 | Confident | 56 Ų | 56 | 68.6 Ų | 68.6 | 34% | 0.339 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.2 | -46.4 | 174.5 | 177.8 | 0 | 0 | 0 | 0 | 111.4 | I75 D76 H81 E82 K83 | I75-V79 HydrophobicContact CD1-CG1 4.33Å; I75-V79 HydrophobicContact CG1-CB 4.04Å; I75-V79 HydrophobicContact CG1-CG1 3.97Å; D76-V79 PolarHBondContact O-N 3.37Å; D76-V79 VanDerWaalsContact O-N 3.07Å; D76-V79 PolarHBondContact OD1-N 3.36Å; V79-H81 VanDerWaalsContact C-N 3.3Å; V79-H81 PolarHBondContact O-N 3.5Å; V79-E82 PolarHBondContact O-N 2.98Å; V79-E82 VanDerWaalsContact O-N 3.11Å; V79-K83 HydrophobicContact CG1-CD 4.13Å; V79-K83 HydrophobicContact CG1-CG 4.48Å; V79-K83 WeakPolarHBondContact O-CG 3.45Å; V79-K83 PolarHBondContact O-N 2.84Å |
| 80 | V | 91.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.8 | -39.8 | 177.4 | 173 | 0 | 0 | 0 | 0 | 111.6 | F37 I75 D76 L84 Y89 F95 D98 | F37-V80 HydrophobicContact CD2-CG1 4.03Å; F37-V80 HydrophobicContact CE2-CG1 4.35Å; I75-V80 HydrophobicContact CD1-CG2 4.05Å; I75-V80 HydrophobicContact CG1-CG2 4.2Å; D76-V80 WeakPolarHBondContact O-CG2 3.27Å; D76-V80 PolarHBondContact O-N 2.91Å; V80-L84 VanDerWaalsContact O-CB 3.28Å; V80-L84 WeakPolarHBondContact O-CB 3.17Å; V80-L84 PolarHBondContact O-N 3.48Å; V80-Y89 HydrophobicContact CG1-CE2 4.4Å; V80-F95 HydrophobicContact CG1-CD2 4.03Å; V80-F95 HydrophobicContact CG1-CE2 3.47Å; V80-F95 VanDerWaalsContact CG1-CE2 3.47Å; V80-F95 HydrophobicContact CG1-CZ 4.21Å; V80-D98 HydrophobicContact CG2-CB 4.24Å |
| 81 | H | 90.8 | Very high | 87.4 | Confident | 41 Ų | 41 | 62.8 Ų | 62.8 | 19% | 0.19 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.1 | -33.8 | 176 | -173.6 | -174.9 | 0 | 0 | 0 | 112.8 | F37 L77 T78 V79 K85 | F37-H81 HydrophobicContact CE1-CB 4.2Å; F37-H81 AromaticContact CE1-CG 3.91Å; F37-H81 HydrophobicContact CE2-CB 3.84Å; F37-H81 HydrophobicContact CZ-CB 3.5Å; F37-H81 VanDerWaalsContact CZ-CB 3.5Å; F37-H81 AromaticContact CZ-CG 3.65Å; F37-H81 AromaticContact CZ-ND1 3.95Å; L77-H81 WeakPolarHBondContact O-CB 3.44Å; L77-H81 PolarHBondContact O-N 2.57Å; T78-H81 PolarHBondContact O-N 3.41Å; V79-H81 VanDerWaalsContact C-N 3.3Å; V79-H81 PolarHBondContact O-N 3.5Å; H81-K85 WeakPolarHBondContact NE2-CE 3.41Å; H81-K85 PolarHBondContact NE2-NZ 3.12Å; H81-K85 WeakPolarHBondContact O-CB 3.4Å; H81-K85 WeakPolarHBondContact O-CG 3.33Å; H81-K85 PolarHBondContact O-N 3.36Å; H81-K85 VanDerWaalsContact O-N 3.1Å |
| 82 | E | 88.2 | Confident | 87.3 | Confident | 130 Ų | 130 | 63.3 Ų | 63.3 | 61% | 0.607 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -69.4 | -46.1 | 175.1 | -72.9 | -175.5 | 171.2 | 0 | 0 | 111.1 | T78 V79 L84 K85 S86 | T78-E82 WeakPolarHBondContact O-CG 3.49Å; T78-E82 PolarHBondContact O-N 3.2Å; V79-E82 PolarHBondContact O-N 2.98Å; V79-E82 VanDerWaalsContact O-N 3.11Å; E82-L84 VanDerWaalsContact C-N 3.3Å; E82-L84 PolarHBondContact O-N 3.41Å; E82-K85 CarbonylContact O-C 3.07Å; E82-K85 WeakPolarHBondContact O-CA 3.35Å; E82-K85 PolarHBondContact O-N 2.87Å; E82-S86 PolarHBondContact O-N 3.44Å; E82-S86 PolarHBondContact O-OG 3.4Å |
| 83 | K | 91 | Very high | 87.4 | Confident | 51 Ų | 51 | 55.6 Ų | 55.6 | 22% | 0.222 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.7 | -35.1 | 174.3 | -65.8 | -179.3 | 69.6 | -179 | 0 | 113 | V79 K85 S86 E88 Y89 D98 | V79-K83 HydrophobicContact CG1-CD 4.13Å; V79-K83 HydrophobicContact CG1-CG 4.48Å; V79-K83 WeakPolarHBondContact O-CG 3.45Å; V79-K83 PolarHBondContact O-N 2.84Å; K83-K85 VanDerWaalsContact C-N 3.32Å; K83-S86 WeakPolarHBondContact CA-OG 3.14Å; K83-S86 PolarHBondContact O-OG 2.86Å; K83-S86 VanDerWaalsContact O-OG 3.06Å; K83-E88 HydrophobicContact CB-CB 4.22Å; K83-E88 WeakPolarHBondContact O-CB 3.29Å; K83-E88 PolarHBondContact O-N 3.45Å; K83-Y89 HydrophobicContact CB-CE1 4.42Å; K83-Y89 HydrophobicContact CB-CE2 3.74Å; K83-D98 WeakPolarHBondContact CD-OD2 3.4Å; K83-D98 VanDerWaalsContact CE-OD2 3.23Å; K83-D98 WeakPolarHBondContact CE-OD2 3.45Å; K83-D98 VanDerWaalsContact NZ-CG 3.27Å; K83-D98 IonicContact NZ-OD1 2.68Å; K83-D98 PolarHBondContact NZ-OD1 2.96Å; K83-D98 IonicContact NZ-OD2 3.95Å; K83-D98 PolarHBondContact NZ-OD2 2.8Å |
| 84 | L | 88.1 | Confident | 87.4 | Confident | 22 Ų | 22 | 52 Ų | 52 | 12% | 0.115 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.4 | -30.3 | 172.6 | -173.5 | 65.9 | 0 | 0 | 0 | 112.7 | C33 Q34 F37 V80 E82 Y89 | C33-L84 HydrophobicContact CB-CD1 3.66Å; Q34-L84 HydrophobicContact CG-CD1 4.1Å; Q34-L84 HydrophobicContact CG-CD2 4.24Å; Q34-L84 HydrophobicContact CG-CG 4.3Å; F37-L84 HydrophobicContact CB-CD2 3.52Å; F37-L84 HydrophobicContact CD1-CD2 3.9Å; F37-L84 HydrophobicContact CD2-CD2 4.36Å; F37-L84 HydrophobicContact CG-CD2 3.65Å; V80-L84 VanDerWaalsContact O-CB 3.28Å; V80-L84 WeakPolarHBondContact O-CB 3.17Å; V80-L84 PolarHBondContact O-N 3.48Å; E82-L84 VanDerWaalsContact C-N 3.3Å; E82-L84 PolarHBondContact O-N 3.41Å; L84-Y89 HydrophobicContact CB-CD2 4.18Å; L84-Y89 HydrophobicContact CB-CE2 4.03Å; L84-Y89 HydrophobicContact CD1-CD2 4.04Å |
| 85 | K | 82.9 | Confident | 87.6 | Confident | 117 Ų | 117 | 49.5 Ų | 49.5 | 51% | 0.509 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -85.7 | -19.5 | 179.4 | -87.3 | 176.8 | 160.7 | 168.3 | 0 | 114.5 | H81 E82 K83 E1457 | H81-K85 WeakPolarHBondContact NE2-CE 3.41Å; H81-K85 PolarHBondContact NE2-NZ 3.12Å; H81-K85 WeakPolarHBondContact O-CB 3.4Å; H81-K85 WeakPolarHBondContact O-CG 3.33Å; H81-K85 PolarHBondContact O-N 3.36Å; H81-K85 VanDerWaalsContact O-N 3.1Å; E82-K85 CarbonylContact O-C 3.07Å; E82-K85 WeakPolarHBondContact O-CA 3.35Å; E82-K85 PolarHBondContact O-N 2.87Å; K83-K85 VanDerWaalsContact C-N 3.32Å; K85-E1457 IonicContact NZ-OE1 3.9Å; K85-E1457 PolarHBondContact NZ-OE1 3.42Å |
| 86 | S | 81.9 | Confident | 87.6 | Confident | 54 Ų | 54 | 49.4 Ų | 49.4 | 38% | 0.378 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -4.8 | 175.8 | 51.6 | 0 | 0 | 0 | 0 | 114 | E82 K83 E88 | E82-S86 PolarHBondContact O-N 3.44Å; E82-S86 PolarHBondContact O-OG 3.4Å; K83-S86 WeakPolarHBondContact CA-OG 3.14Å; K83-S86 PolarHBondContact O-OG 2.86Å; K83-S86 VanDerWaalsContact O-OG 3.06Å; S86-E88 WeakPolarHBondContact CB-OE1 3.26Å; S86-E88 VanDerWaalsContact OG-CG 3.27Å; S86-E88 WeakPolarHBondContact OG-CG 3.4Å; S86-E88 PolarHBondContact OG-OE1 3.17Å |
| 87 | D | 79.7 | Confident | 87.7 | Confident | 105 Ų | 105 | 51.7 Ų | 51.7 | 56% | 0.561 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | 34.8 | -168.2 | -46.1 | -51.5 | 0 | 0 | 0 | 113.3 | K15 | K15-D87 WeakPolarHBondContact CE-OD2 3.37Å; K15-D87 IonicContact NZ-OD2 3.96Å; K15-D87 PolarHBondContact NZ-OD2 3.43Å |
| 88 | E | 83.8 | Confident | 87.8 | Confident | 119 Ų | 119 | 52.7 Ų | 52.7 | 56% | 0.556 | 29% | 0.288 | S | S | * | . | trans | -78.5 | -25.4 | -178.8 | -82.3 | 169.7 | -120.3 | 0 | 0 | 114.6 | K83 S86 S90 | K83-E88 HydrophobicContact CB-CB 4.22Å; K83-E88 WeakPolarHBondContact O-CB 3.29Å; K83-E88 PolarHBondContact O-N 3.45Å; S86-E88 WeakPolarHBondContact CB-OE1 3.26Å; S86-E88 VanDerWaalsContact OG-CG 3.27Å; S86-E88 WeakPolarHBondContact OG-CG 3.4Å; S86-E88 PolarHBondContact OG-OE1 3.17Å; E88-S90 PolarHBondContact O-N 2.91Å | ||
| 89 | Y | 86.6 | Confident | 87.9 | Confident | 21 Ų | 21 | 50.2 Ų | 50.2 | 8% | 0.082 | 27% | 0.272 | C | S | . | . | trans | -79.4 | 112.8 | 176.3 | -61 | -59.4 | 0 | 0 | 0 | 111.2 | V80 K83 L84 N91 A94 F95 D98 | V80-Y89 HydrophobicContact CG1-CE2 4.4Å; K83-Y89 HydrophobicContact CB-CE1 4.42Å; K83-Y89 HydrophobicContact CB-CE2 3.74Å; L84-Y89 HydrophobicContact CB-CD2 4.18Å; L84-Y89 HydrophobicContact CB-CE2 4.03Å; L84-Y89 HydrophobicContact CD1-CD2 4.04Å; Y89-N91 VanDerWaalsContact C-N 3.35Å; Y89-A94 HydrophobicContact CD1-CB 3.98Å; Y89-A94 WeakPolarHBondContact CE1-O 3.48Å; Y89-F95 HydrophobicContact CD1-CB 4.05Å; Y89-F95 HydrophobicContact CD2-CB 4.28Å; Y89-F95 AromaticContact CD2-CD2 3.99Å; Y89-F95 HydrophobicContact CD2-CD2 3.99Å; Y89-F95 HydrophobicContact CE1-CB 4.32Å; Y89-F95 AromaticContact CE2-CD2 3.75Å; Y89-F95 HydrophobicContact CE2-CD2 3.75Å; Y89-F95 HydrophobicContact CG-CB 4.04Å; Y89-D98 HydrophobicContact CE1-CB 4.24Å; Y89-D98 WeakPolarHBondContact CE1-OD2 3.14Å; Y89-D98 VanDerWaalsContact CZ-OD2 3.28Å; Y89-D98 PolarHBondContact OH-OD2 2.89Å | ||
| 90 | S | 75.7 | Confident | 88 | Confident | 85 Ų | 85 | 52.5 Ų | 52.5 | 59% | 0.594 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -72.1 | -26.9 | 176.1 | 44.1 | 0 | 0 | 0 | 0 | 114.2 | E88 | E88-S90 PolarHBondContact O-N 2.91Š|
| 91 | N | 82.7 | Confident | 88.2 | Confident | 47 Ų | 47 | 55.2 Ų | 55.2 | 25% | 0.251 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -160.5 | 167.9 | -173.3 | 57.6 | -28.1 | 0 | 0 | 0 | 110.3 | Y89 D93 A94 | Y89-N91 VanDerWaalsContact C-N 3.35Å; N91-D93 VanDerWaalsContact C-N 3.26Å; N91-D93 PolarHBondContact ND2-OD2 3.11Å; N91-D93 PolarHBondContact O-N 3.45Å; N91-A94 PolarHBondContact O-N 3.43Å; N91-A94 WeakPolarHBondContact OD1-CB 3.16Å |
| 92 | V | 88.4 | Confident | 88.3 | Confident | 14 Ų | 14 | 53.5 Ų | 53.5 | 9% | 0.085 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56.8 | -37 | 176 | 168.3 | 0 | 0 | 0 | 0 | 112.2 | C32 L36 A94 F95 M96 R131 | C32-V92 HydrophobicContact CB-CG2 3.44Å; C32-V92 VanDerWaalsContact CB-CG2 3.44Å; L36-V92 HydrophobicContact CD1-CG1 3.64Å; L36-V92 HydrophobicContact CD1-CG2 4.43Å; V92-A94 VanDerWaalsContact C-N 3.35Å; V92-A94 PolarHBondContact O-N 3.46Å; V92-F95 WeakPolarHBondContact O-CB 3.27Å; V92-F95 PolarHBondContact O-N 2.73Å; V92-F95 VanDerWaalsContact O-N 3.13Å; V92-M96 HydrophobicContact CG1-CG 3.96Å; V92-M96 WeakPolarHBondContact O-CG 3.5Å; V92-M96 PolarHBondContact O-N 2.81Å; V92-R131 HydrophobicContact CG1-CG 4.49Å |
| 93 | D | 89.3 | Confident | 88.5 | Confident | 62 Ų | 62 | 47.3 Ų | 47.3 | 33% | 0.332 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.8 | -36.2 | -178.2 | -48.8 | -71.7 | 0 | 0 | 0 | 112.8 | N91 F95 M96 S97 R131 | N91-D93 VanDerWaalsContact C-N 3.26Å; N91-D93 PolarHBondContact ND2-OD2 3.11Å; N91-D93 PolarHBondContact O-N 3.45Å; D93-F95 VanDerWaalsContact C-N 3.3Å; D93-F95 PolarHBondContact O-N 3.49Å; D93-M96 PolarHBondContact O-N 2.88Å; D93-S97 VanDerWaalsContact O-CB 3.3Å; D93-S97 WeakPolarHBondContact O-CB 3.36Å; D93-S97 PolarHBondContact O-N 2.97Å; D93-R131 IonicContact OD1-CZ 3.76Å; D93-R131 VanDerWaalsContact OD1-CZ 3.26Å; D93-R131 IonicContact OD1-NH1 2.78Å; D93-R131 PolarHBondContact OD1-NH1 2.84Å; D93-R131 IonicContact OD1-NH2 2.76Å; D93-R131 PolarHBondContact OD1-NH2 2.95Å |
| 94 | A | 88.8 | Confident | 88.6 | Confident | 30 Ų | 30 | 48.3 Ų | 48.3 | 25% | 0.248 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65 | -34.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y89 N91 V92 D98 | Y89-A94 HydrophobicContact CD1-CB 3.98Å; Y89-A94 WeakPolarHBondContact CE1-O 3.48Å; N91-A94 PolarHBondContact O-N 3.43Å; N91-A94 WeakPolarHBondContact OD1-CB 3.16Å; V92-A94 VanDerWaalsContact C-N 3.35Å; V92-A94 PolarHBondContact O-N 3.46Å; A94-D98 PolarHBondContact O-N 2.94Å |
| 95 | F | 93.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70.3 | -47.1 | 173 | 173.4 | -86.6 | 0 | 0 | 0 | 111.4 | C33 L36 F37 V80 Y89 V92 D93 S97 D98 V99 M127 | C33-F95 HydrophobicContact CB-CB 4.34Å; C33-F95 HydrophobicContact CB-CD2 4.34Å; C33-F95 HydrophobicContact CB-CG 4.36Å; L36-F95 HydrophobicContact CB-CD1 4.11Å; L36-F95 HydrophobicContact CB-CE1 3.54Å; L36-F95 HydrophobicContact CB-CZ 4.07Å; L36-F95 HydrophobicContact CD1-CD1 3.99Å; L36-F95 HydrophobicContact CD1-CE1 4.19Å; L36-F95 HydrophobicContact CG-CE1 4.45Å; F37-F95 HydrophobicContact CB-CE2 3.88Å; F37-F95 HydrophobicContact CB-CZ 3.93Å; F37-F95 HydrophobicContact CD2-CE2 4.23Å; F37-F95 HydrophobicContact CD2-CZ 4.44Å; V80-F95 HydrophobicContact CG1-CD2 4.03Å; V80-F95 HydrophobicContact CG1-CE2 3.47Å; V80-F95 VanDerWaalsContact CG1-CE2 3.47Å; V80-F95 HydrophobicContact CG1-CZ 4.21Å; Y89-F95 HydrophobicContact CD1-CB 4.05Å; Y89-F95 HydrophobicContact CD2-CB 4.28Å; Y89-F95 AromaticContact CD2-CD2 3.99Å; Y89-F95 HydrophobicContact CD2-CD2 3.99Å; Y89-F95 HydrophobicContact CE1-CB 4.32Å; Y89-F95 AromaticContact CE2-CD2 3.75Å; Y89-F95 HydrophobicContact CE2-CD2 3.75Å; Y89-F95 HydrophobicContact CG-CB 4.04Å; V92-F95 WeakPolarHBondContact O-CB 3.27Å; V92-F95 PolarHBondContact O-N 2.73Å; V92-F95 VanDerWaalsContact O-N 3.13Å; D93-F95 VanDerWaalsContact C-N 3.3Å; D93-F95 PolarHBondContact O-N 3.49Å; F95-S97 VanDerWaalsContact C-N 3.26Å; F95-S97 PolarHBondContact O-N 3.2Å; F95-D98 PolarHBondContact O-N 2.8Å; F95-V99 HydrophobicContact CD1-CG2 4.22Å; F95-V99 HydrophobicContact CE1-CG2 3.72Å; F95-V99 HydrophobicContact CZ-CG2 3.9Å; F95-V99 WeakPolarHBondContact O-CG2 3.01Å; F95-V99 PolarHBondContact O-N 2.9Å; F95-V99 VanDerWaalsContact O-N 3.07Å; F95-M127 HydrophobicContact CE1-CE 3.97Å |
| 96 | M | 93.7 | Very high | 89.1 | Confident | 10 Ų | 10 | 42.3 Ų | 42.3 | 5% | 0.049 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.7 | -29.1 | 179.1 | -70 | -64.5 | -67.1 | 0 | 0 | 112.8 | L36 V92 D93 R100 W124 M127 R131 | L36-M96 HydrophobicContact CD1-CG 4.45Å; L36-M96 HydrophobicContact CD1-SD 4.14Å; V92-M96 HydrophobicContact CG1-CG 3.96Å; V92-M96 WeakPolarHBondContact O-CG 3.5Å; V92-M96 PolarHBondContact O-N 2.81Å; D93-M96 PolarHBondContact O-N 2.88Å; M96-R100 WeakPolarHBondContact O-CB 3.47Å; M96-R100 PolarHBondContact O-N 3.26Å; M96-W124 HydrophobicContact CE-CH2 4.1Å; M96-W124 HydrophobicContact CE-CZ3 4.17Å; M96-M127 HydrophobicContact CE-CB 4.26Å; M96-M127 HydrophobicContact SD-CE 3.8Å; M96-R131 HydrophobicContact CE-CB 4.11Å; M96-R131 HydrophobicContact SD-CB 4.41Å |
| 97 | S | 92.9 | Very high | 89.6 | Confident | 69 Ų | 69 | 42.2 Ų | 42.2 | 48% | 0.483 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -67.2 | -46.3 | 174.8 | -171.5 | 0 | 0 | 0 | 0 | 112.4 | D93 F95 V99 R100 L101 | D93-S97 VanDerWaalsContact O-CB 3.3Å; D93-S97 WeakPolarHBondContact O-CB 3.36Å; D93-S97 PolarHBondContact O-N 2.97Å; F95-S97 VanDerWaalsContact C-N 3.26Å; F95-S97 PolarHBondContact O-N 3.2Å; S97-V99 VanDerWaalsContact C-N 3.34Å; S97-V99 PolarHBondContact O-N 2.93Å; S97-R100 PolarHBondContact O-N 2.7Å; S97-L101 PolarHBondContact O-N 3.05Å |
| 98 | D | 93.5 | Very high | 90.2 | Very high | 21 Ų | 21 | 42.5 Ų | 42.5 | 11% | 0.112 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.8 | -40.9 | 173.1 | -89.3 | 8.4 | 0 | 0 | 0 | 111.8 | I75 V80 K83 Y89 A94 F95 L101 M102 | I75-D98 HydrophobicContact CD1-CB 3.69Å; V80-D98 HydrophobicContact CG2-CB 4.24Å; K83-D98 WeakPolarHBondContact CD-OD2 3.4Å; K83-D98 VanDerWaalsContact CE-OD2 3.23Å; K83-D98 WeakPolarHBondContact CE-OD2 3.45Å; K83-D98 VanDerWaalsContact NZ-CG 3.27Å; K83-D98 IonicContact NZ-OD1 2.68Å; K83-D98 PolarHBondContact NZ-OD1 2.96Å; K83-D98 IonicContact NZ-OD2 3.95Å; K83-D98 PolarHBondContact NZ-OD2 2.8Å; Y89-D98 HydrophobicContact CE1-CB 4.24Å; Y89-D98 WeakPolarHBondContact CE1-OD2 3.14Å; Y89-D98 VanDerWaalsContact CZ-OD2 3.28Å; Y89-D98 PolarHBondContact OH-OD2 2.89Å; A94-D98 PolarHBondContact O-N 2.94Å; F95-D98 PolarHBondContact O-N 2.8Å; D98-L101 PolarHBondContact O-N 2.89Å; D98-M102 PolarHBondContact O-N 3.38Å |
| 99 | V | 92.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.9 | -39.3 | 175.3 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | F95 S97 M102 I103 F123 W124 M127 | F95-V99 HydrophobicContact CD1-CG2 4.22Å; F95-V99 HydrophobicContact CE1-CG2 3.72Å; F95-V99 HydrophobicContact CZ-CG2 3.9Å; F95-V99 WeakPolarHBondContact O-CG2 3.01Å; F95-V99 PolarHBondContact O-N 2.9Å; F95-V99 VanDerWaalsContact O-N 3.07Å; S97-V99 VanDerWaalsContact C-N 3.34Å; S97-V99 PolarHBondContact O-N 2.93Å; V99-M102 WeakPolarHBondContact O-CB 3.2Å; V99-M102 PolarHBondContact O-N 2.88Å; V99-I103 WeakPolarHBondContact O-CG1 3.38Å; V99-I103 PolarHBondContact O-N 3.14Å; V99-I103 VanDerWaalsContact O-N 3.14Å; V99-F123 HydrophobicContact CG1-CE1 4.15Å; V99-W124 HydrophobicContact CG1-CZ3 4.41Å; V99-M127 HydrophobicContact CG1-CE 4.46Å; V99-M127 HydrophobicContact CG1-CG 4.03Å |
| 100 | R | 93.7 | Very high | 90.7 | Very high | 104 Ų | 104 | 40.7 Ų | 40.7 | 39% | 0.392 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.4 | -44.5 | 174.1 | -171.9 | 178.9 | 173.8 | 116.7 | -16.5 | 111 | M96 S97 M102 I103 E104 W124 | M96-R100 WeakPolarHBondContact O-CB 3.47Å; M96-R100 PolarHBondContact O-N 3.26Å; S97-R100 PolarHBondContact O-N 2.7Å; R100-M102 VanDerWaalsContact C-N 3.3Å; R100-M102 PolarHBondContact O-N 3.02Å; R100-I103 PolarHBondContact O-N 3.02Å; R100-I103 VanDerWaalsContact O-N 3.1Å; R100-E104 HydrophobicContact CG-CG 4.3Å; R100-E104 WeakPolarHBondContact O-CG 3.5Å; R100-E104 PolarHBondContact O-N 3.18Å; R100-W124 HydrophobicContact CB-CE3 4.41Å; R100-W124 HydrophobicContact CB-CH2 3.72Å; R100-W124 HydrophobicContact CB-CZ3 3.59Å; R100-W124 HydrophobicContact CG-CH2 3.93Å; R100-W124 HydrophobicContact CG-CZ2 4.38Å; R100-W124 HydrophobicContact CG-CZ3 4.08Å |
| 101 | L | 94.1 | Very high | 91.2 | Very high | 57 Ų | 57 | 43 Ų | 43 | 30% | 0.298 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -58.1 | -42.8 | 175.2 | 177.9 | 63.5 | 0 | 0 | 0 | 111.7 | N73 I75 S97 D98 I103 E104 N105 | N73-L101 HydrophobicContact CB-CD1 4.25Å; N73-L101 HydrophobicContact CB-CD2 3.97Å; I75-L101 HydrophobicContact CB-CD2 4.47Å; I75-L101 HydrophobicContact CG2-CB 4.18Å; I75-L101 HydrophobicContact CG2-CD2 3.93Å; I75-L101 HydrophobicContact CG2-CG 3.78Å; S97-L101 PolarHBondContact O-N 3.05Å; D98-L101 PolarHBondContact O-N 2.89Å; L101-I103 VanDerWaalsContact C-N 3.28Å; L101-I103 PolarHBondContact O-N 2.78Å; L101-E104 PolarHBondContact O-N 3.5Å; L101-N105 WeakPolarHBondContact CD1-OD1 3.47Å; L101-N105 VanDerWaalsContact O-CB 3.22Å; L101-N105 WeakPolarHBondContact O-CB 3.46Å; L101-N105 PolarHBondContact O-N 3.15Å; L101-N105 PolarHBondContact O-ND2 2.82Å; L101-N105 PolarHBondContact O-OD1 2.96Å |
| 102 | M | 93.3 | Very high | 91.4 | Very high | 5 Ų | 5 | 44.1 Ų | 44.1 | 3% | 0.025 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.7 | -38.1 | 175.2 | -167.7 | -176.4 | 71.8 | 0 | 0 | 112.8 | F55 I75 L77 D98 V99 R100 A106 F123 | F55-M102 HydrophobicContact CB-CE 3.74Å; F55-M102 HydrophobicContact CB-SD 3.82Å; F55-M102 HydrophobicContact CD1-CE 3.74Å; F55-M102 HydrophobicContact CD1-CG 3.9Å; F55-M102 HydrophobicContact CD1-SD 4.06Å; F55-M102 HydrophobicContact CD2-CE 4.39Å; F55-M102 HydrophobicContact CG-CE 3.68Å; F55-M102 HydrophobicContact CG-SD 4.21Å; I75-M102 HydrophobicContact CG2-CB 3.86Å; I75-M102 HydrophobicContact CG2-CG 4.46Å; L77-M102 HydrophobicContact CD2-CE 3.92Å; L77-M102 HydrophobicContact CD2-SD 3.86Å; L77-M102 HydrophobicContact CG-CE 4.14Å; L77-M102 HydrophobicContact CG-SD 3.77Å; D98-M102 PolarHBondContact O-N 3.38Å; V99-M102 WeakPolarHBondContact O-CB 3.2Å; V99-M102 PolarHBondContact O-N 2.88Å; R100-M102 VanDerWaalsContact C-N 3.3Å; R100-M102 PolarHBondContact O-N 3.02Å; M102-A106 PolarHBondContact O-N 3.11Å; M102-F123 HydrophobicContact CE-CD1 4.41Å; M102-F123 HydrophobicContact CE-CE1 3.78Å; M102-F123 HydrophobicContact CE-CZ 4.15Å |
| 103 | I | 92.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -75.3 | -46.7 | 178.1 | -67.3 | -53.7 | 0 | 0 | 0 | 112.3 | F55 V99 R100 L101 N105 A106 K107 A120 F123 W124 | F55-I103 HydrophobicContact CE1-CD1 3.85Å; F55-I103 HydrophobicContact CE2-CD1 4.23Å; F55-I103 HydrophobicContact CZ-CD1 3.69Å; V99-I103 WeakPolarHBondContact O-CG1 3.38Å; V99-I103 PolarHBondContact O-N 3.14Å; V99-I103 VanDerWaalsContact O-N 3.14Å; R100-I103 PolarHBondContact O-N 3.02Å; R100-I103 VanDerWaalsContact O-N 3.1Å; L101-I103 VanDerWaalsContact C-N 3.28Å; L101-I103 PolarHBondContact O-N 2.78Å; I103-N105 VanDerWaalsContact C-N 3.31Å; I103-N105 PolarHBondContact O-N 3.37Å; I103-A106 WeakPolarHBondContact O-CB 3.22Å; I103-A106 PolarHBondContact O-N 2.78Å; I103-A106 VanDerWaalsContact O-N 3.08Å; I103-K107 HydrophobicContact CG2-CD 4.33Å; I103-K107 PolarHBondContact O-N 2.69Å; I103-A120 HydrophobicContact CD1-CB 4.13Å; I103-A120 HydrophobicContact CG2-CB 4.34Å; I103-F123 HydrophobicContact CD1-CB 4.11Å; I103-F123 HydrophobicContact CD1-CD1 3.8Å; I103-F123 HydrophobicContact CD1-CG 4.27Å; I103-F123 HydrophobicContact CG1-CD1 4.43Å; I103-W124 HydrophobicContact CG1-CB 4.25Å; I103-W124 HydrophobicContact CG1-CE3 4.26Å; I103-W124 HydrophobicContact CG2-CB 3.99Å; I103-W124 HydrophobicContact CG2-CG 4.47Å |
| 104 | E | 93 | Very high | 91.1 | Very high | 72 Ų | 72 | 47.5 Ų | 47.5 | 34% | 0.336 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -66.2 | -36 | 178.8 | -59.1 | -47.7 | 125 | 0 | 0 | 111.1 | R100 L101 A106 K107 E108 | R100-E104 HydrophobicContact CG-CG 4.3Å; R100-E104 WeakPolarHBondContact O-CG 3.5Å; R100-E104 PolarHBondContact O-N 3.18Å; L101-E104 PolarHBondContact O-N 3.5Å; E104-A106 PolarHBondContact O-N 2.83Å; E104-K107 PolarHBondContact O-N 2.87Å; E104-K107 VanDerWaalsContact O-N 3.17Å; E104-K107 IonicContact OE1-NZ 2.74Å; E104-K107 PolarHBondContact OE1-NZ 3.18Å; E104-K107 WeakPolarHBondContact OE2-CD 3.49Å; E104-K107 IonicContact OE2-NZ 2.73Å; E104-K107 PolarHBondContact OE2-NZ 2.67Å; E104-E108 WeakPolarHBondContact O-CB 3.4Å; E104-E108 PolarHBondContact O-N 3.49Å |
| 105 | N | 92.1 | Very high | 91 | Very high | 7 Ų | 7 | 49.4 Ų | 49.4 | 4% | 0.037 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.3 | -35.6 | 170.1 | -74.6 | -9.7 | 0 | 0 | 0 | 112.8 | I71 N73 L101 I103 Y109 | I71-N105 VanDerWaalsContact CD1-O 3.24Å; I71-N105 WeakPolarHBondContact CD1-O 3.49Å; I71-N105 HydrophobicContact CG2-CB 3.81Å; I71-N105 WeakPolarHBondContact CG2-OD1 3.46Å; N73-N105 PolarHBondContact O-ND2 3.23Å; L101-N105 WeakPolarHBondContact CD1-OD1 3.47Å; L101-N105 VanDerWaalsContact O-CB 3.22Å; L101-N105 WeakPolarHBondContact O-CB 3.46Å; L101-N105 PolarHBondContact O-N 3.15Å; L101-N105 PolarHBondContact O-ND2 2.82Å; L101-N105 PolarHBondContact O-OD1 2.96Å; I103-N105 VanDerWaalsContact C-N 3.31Å; I103-N105 PolarHBondContact O-N 3.37Å; N105-Y109 WeakPolarHBondContact O-CB 3.37Å; N105-Y109 PolarHBondContact O-N 3.43Å |
| 106 | A | 90.1 | Very high | 90.7 | Very high | 6 Ų | 6 | 51.9 Ų | 51.9 | 5% | 0.05 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -73.5 | -43.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | F55 M102 I103 E104 E108 Y109 Y110 A120 | F55-A106 HydrophobicContact CE1-CB 3.95Å; M102-A106 PolarHBondContact O-N 3.11Å; I103-A106 WeakPolarHBondContact O-CB 3.22Å; I103-A106 PolarHBondContact O-N 2.78Å; I103-A106 VanDerWaalsContact O-N 3.08Å; E104-A106 PolarHBondContact O-N 2.83Å; A106-E108 VanDerWaalsContact C-N 3.31Å; A106-E108 PolarHBondContact O-N 2.81Å; A106-Y109 PolarHBondContact O-N 3.2Å; A106-Y110 HydrophobicContact CB-CD2 4.22Å; A106-Y110 WeakPolarHBondContact O-CB 3.47Å; A106-Y110 WeakPolarHBondContact O-CD2 3.11Å; A106-Y110 PolarHBondContact O-N 2.84Å; A106-A120 HydrophobicContact CB-CB 3.96Å |
| 107 | K | 91.3 | Very high | 90.6 | Very high | 52 Ų | 52 | 54.1 Ų | 54.1 | 23% | 0.226 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.9 | -29 | 176.5 | -67 | 173.6 | -175.3 | 166 | 0 | 114.2 | I103 E104 Y117 | I103-K107 HydrophobicContact CG2-CD 4.33Å; I103-K107 PolarHBondContact O-N 2.69Å; E104-K107 PolarHBondContact O-N 2.87Å; E104-K107 VanDerWaalsContact O-N 3.17Å; E104-K107 IonicContact OE1-NZ 2.74Å; E104-K107 PolarHBondContact OE1-NZ 3.18Å; E104-K107 WeakPolarHBondContact OE2-CD 3.49Å; E104-K107 IonicContact OE2-NZ 2.73Å; E104-K107 PolarHBondContact OE2-NZ 2.67Å; K107-Y117 HydrophobicContact CB-CD2 4.06Å; K107-Y117 HydrophobicContact CB-CE2 3.6Å; K107-Y117 HydrophobicContact CG-CD2 4.07Å; K107-Y117 HydrophobicContact CG-CE2 3.72Å |
| 108 | E | 92.3 | Very high | 90.3 | Very high | 111 Ų | 111 | 55.4 Ų | 55.4 | 52% | 0.519 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -79.5 | -23.8 | 175.9 | -178.1 | 174.7 | -150.3 | 0 | 0 | 112.2 | I71 E104 A106 | I71-E108 HydrophobicContact CD1-CB 3.72Å; I71-E108 HydrophobicContact CD1-CG 3.74Å; I71-E108 WeakPolarHBondContact CD1-OE2 3.38Å; E104-E108 WeakPolarHBondContact O-CB 3.4Å; E104-E108 PolarHBondContact O-N 3.49Å; A106-E108 VanDerWaalsContact C-N 3.31Å; A106-E108 PolarHBondContact O-N 2.81Å |
| 109 | Y | 91.7 | Very high | 90.1 | Very high | 42 Ų | 42 | 55 Ų | 55 | 17% | 0.165 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -91.7 | -46.5 | 179.2 | -170.1 | -109 | 0 | 0 | 0 | 113.7 | D66 Y67 R70 N105 A106 | D66-Y109 PolarHBondContact OD1-OH 3.1Å; D66-Y109 WeakPolarHBondContact OD2-CE2 3.22Å; D66-Y109 PolarHBondContact OD2-OH 3.15Å; Y67-Y109 VanDerWaalsContact CA-CE2 3.47Å; Y67-Y109 AromaticContact CD2-CD1 3.77Å; Y67-Y109 HydrophobicContact CD2-CD1 3.77Å; Y67-Y109 AromaticContact CD2-CD2 3.62Å; Y67-Y109 HydrophobicContact CD2-CD2 3.62Å; Y67-Y109 HydrophobicContact CD2-CE1 4.08Å; Y67-Y109 AromaticContact CD2-CE2 3.99Å; Y67-Y109 HydrophobicContact CD2-CE2 3.99Å; Y67-Y109 AromaticContact CD2-CG 3.53Å; Y67-Y109 HydrophobicContact CD2-CG 3.53Å; Y67-Y109 HydrophobicContact CE2-CD1 4.31Å; Y67-Y109 HydrophobicContact CE2-CD2 4.46Å; Y67-Y109 HydrophobicContact CE2-CG 4.04Å; Y67-Y109 HydrophobicContact CG-CD2 4.31Å; Y67-Y109 HydrophobicContact CG-CE2 4.39Å; R70-Y109 PolarHBondContact NH1-O 3.44Å; N105-Y109 WeakPolarHBondContact O-CB 3.37Å; N105-Y109 PolarHBondContact O-N 3.43Å; A106-Y109 PolarHBondContact O-N 3.2Å |
| 110 | Y | 89.5 | Confident | 89.9 | Confident | 60 Ų | 60 | 55 Ų | 55 | 24% | 0.235 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -95.4 | 147.1 | -172.9 | -65.9 | -78 | 0 | 0 | 0 | 112.4 | A106 S114 E116 Y117 | A106-Y110 HydrophobicContact CB-CD2 4.22Å; A106-Y110 WeakPolarHBondContact O-CB 3.47Å; A106-Y110 WeakPolarHBondContact O-CD2 3.11Å; A106-Y110 PolarHBondContact O-N 2.84Å; Y110-S114 WeakPolarHBondContact CB-OG 3.4Å; Y110-E116 HydrophobicContact CD1-CB 3.66Å; Y110-E116 HydrophobicContact CD1-CG 4.06Å; Y110-E116 HydrophobicContact CD2-CB 3.7Å; Y110-E116 HydrophobicContact CE1-CB 3.74Å; Y110-E116 HydrophobicContact CE1-CG 3.67Å; Y110-E116 HydrophobicContact CE2-CB 3.8Å; Y110-E116 HydrophobicContact CE2-CG 4.25Å; Y110-E116 HydrophobicContact CG-CB 3.64Å; Y110-E116 HydrophobicContact CG-CG 4.49Å; Y110-Y117 WeakPolarHBondContact O-CD2 3.21Å |
| 111 | E | 86.3 | Confident | 89.7 | Confident | 134 Ų | 134 | 51.7 Ų | 51.7 | 63% | 0.626 | 27% | 0.273 | S | S | * | . | trans | -67.4 | 145.7 | 179.5 | -69.7 | -63 | 156.7 | 0 | 0 | 112.4 | C113 S114 Y117 | E111-C113 PolarHBondContact O-N 2.86Å; E111-S114 VanDerWaalsContact O-CB 3.31Å; E111-S114 WeakPolarHBondContact O-CB 2.97Å; E111-S114 PolarHBondContact O-N 2.56Å; E111-S114 PolarHBondContact O-OG 2.83Å; E111-Y117 WeakPolarHBondContact O-CB 3.48Å | ||
| 112 | P | 86.1 | Confident | 89.4 | Confident | 71 Ų | 71 | 51.4 Ų | 51.4 | 46% | 0.461 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -21.8 | -175.5 | -30.1 | 37 | 0 | 0 | 0 | 117.1 | Y117 | P112-Y117 HydrophobicContact CB-CD1 4.47Å; P112-Y117 HydrophobicContact CB-CE1 4.23Å; P112-Y117 HydrophobicContact CB-CE2 4.34Å; P112-Y117 HydrophobicContact CG-CE2 4.25Å; P112-Y117 VanDerWaalsContact O-CD1 3.32Å; P112-Y117 WeakPolarHBondContact O-CD1 3.38Å |
| 113 | C | 82.9 | Confident | 89.2 | Confident | 122 Ų | 122 | 51.1 Ų | 51.1 | 82% | 0.824 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | 5.2 | 179.1 | -58.3 | 0 | 0 | 0 | 0 | 113.7 | E111 | E111-C113 PolarHBondContact O-N 2.86Š|
| 114 | S | 89.3 | Confident | 89.2 | Confident | 25 Ų | 25 | 53.6 Ų | 53.6 | 18% | 0.175 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -78.2 | 154.6 | 178.2 | 64.1 | 0 | 0 | 0 | 0 | 112.4 | Y110 E111 E116 Y117 L118 | Y110-S114 WeakPolarHBondContact CB-OG 3.4Å; E111-S114 VanDerWaalsContact O-CB 3.31Å; E111-S114 WeakPolarHBondContact O-CB 2.97Å; E111-S114 PolarHBondContact O-N 2.56Å; E111-S114 PolarHBondContact O-OG 2.83Å; S114-E116 PolarHBondContact O-N 3.31Å; S114-Y117 PolarHBondContact O-N 3.44Å; S114-Y117 VanDerWaalsContact OG-CB 3.29Å; S114-Y117 WeakPolarHBondContact OG-CB 3.4Å; S114-Y117 PolarHBondContact OG-N 3.36Å; S114-L118 WeakPolarHBondContact O-CG 3.23Å; S114-L118 PolarHBondContact O-N 3.16Å; S114-L118 VanDerWaalsContact O-N 3.1Å |
| 115 | S | 86.4 | Confident | 88.9 | Confident | 69 Ų | 69 | 57.4 Ų | 57.4 | 48% | 0.483 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -51.9 | -44.9 | 172 | 23.6 | 0 | 0 | 0 | 0 | 111.9 | Y117 L118 D119 | S115-Y117 PolarHBondContact O-N 3.35Å; S115-L118 PolarHBondContact O-N 2.91Å; S115-D119 VanDerWaalsContact O-CB 3.23Å; S115-D119 WeakPolarHBondContact O-CB 3.32Å; S115-D119 VanDerWaalsContact O-CG 3.31Å; S115-D119 PolarHBondContact O-N 3.38Å |
| 116 | E | 87.8 | Confident | 88.7 | Confident | 53 Ų | 53 | 58 Ų | 58 | 25% | 0.248 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -70.5 | -32.7 | -175.1 | -65 | 93.2 | 136.4 | 0 | 0 | 113 | I54 Y110 S114 A120 | I54-E116 HydrophobicContact CD1-CB 4.02Å; I54-E116 HydrophobicContact CD1-CG 4.15Å; I54-E116 HydrophobicContact CG2-CG 4.48Å; Y110-E116 HydrophobicContact CD1-CB 3.66Å; Y110-E116 HydrophobicContact CD1-CG 4.06Å; Y110-E116 HydrophobicContact CD2-CB 3.7Å; Y110-E116 HydrophobicContact CE1-CB 3.74Å; Y110-E116 HydrophobicContact CE1-CG 3.67Å; Y110-E116 HydrophobicContact CE2-CB 3.8Å; Y110-E116 HydrophobicContact CE2-CG 4.25Å; Y110-E116 HydrophobicContact CG-CB 3.64Å; Y110-E116 HydrophobicContact CG-CG 4.49Å; S114-E116 PolarHBondContact O-N 3.31Å; E116-A120 VanDerWaalsContact O-CB 3.32Å; E116-A120 WeakPolarHBondContact O-CB 3.09Å; E116-A120 PolarHBondContact O-N 3.3Å |
| 117 | Y | 91 | Very high | 88.6 | Confident | 56 Ų | 56 | 57.8 Ų | 57.8 | 22% | 0.22 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -71.4 | -41 | 172.6 | -170.4 | -77.9 | 0 | 0 | 0 | 111.9 | K107 Y110 E111 P112 S114 S115 A120 C121 | K107-Y117 HydrophobicContact CB-CD2 4.06Å; K107-Y117 HydrophobicContact CB-CE2 3.6Å; K107-Y117 HydrophobicContact CG-CD2 4.07Å; K107-Y117 HydrophobicContact CG-CE2 3.72Å; Y110-Y117 WeakPolarHBondContact O-CD2 3.21Å; E111-Y117 WeakPolarHBondContact O-CB 3.48Å; P112-Y117 HydrophobicContact CB-CD1 4.47Å; P112-Y117 HydrophobicContact CB-CE1 4.23Å; P112-Y117 HydrophobicContact CB-CE2 4.34Å; P112-Y117 HydrophobicContact CG-CE2 4.25Å; P112-Y117 VanDerWaalsContact O-CD1 3.32Å; P112-Y117 WeakPolarHBondContact O-CD1 3.38Å; S114-Y117 PolarHBondContact O-N 3.44Å; S114-Y117 VanDerWaalsContact OG-CB 3.29Å; S114-Y117 WeakPolarHBondContact OG-CB 3.4Å; S114-Y117 PolarHBondContact OG-N 3.36Å; S115-Y117 PolarHBondContact O-N 3.35Å; Y117-A120 PolarHBondContact O-N 2.98Å; Y117-C121 VanDerWaalsContact CE1-SG 3.56Å; Y117-C121 PolarHBondContact O-N 3.16Å; Y117-C121 PolarHBondContact O-SG 2.97Å |
| 118 | L | 87.4 | Confident | 88.5 | Confident | 97 Ų | 97 | 58.4 Ų | 58.4 | 51% | 0.508 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -68.7 | -40.1 | 176.2 | -65 | 173 | 0 | 0 | 0 | 111.5 | S114 S115 C121 S122 | S114-L118 WeakPolarHBondContact O-CG 3.23Å; S114-L118 PolarHBondContact O-N 3.16Å; S114-L118 VanDerWaalsContact O-N 3.1Å; S115-L118 PolarHBondContact O-N 2.91Å; L118-C121 PolarHBondContact O-N 3.33Å; L118-S122 VanDerWaalsContact O-CB 3.31Å; L118-S122 WeakPolarHBondContact O-CB 3.43Å; L118-S122 PolarHBondContact O-N 3.04Å; L118-S122 PolarHBondContact O-OG 3.05Å |
| 119 | D | 87.8 | Confident | 88.3 | Confident | 13 Ų | 13 | 56.4 Ų | 56.4 | 7% | 0.07 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.2 | -46.3 | 170 | -84.8 | -24 | 0 | 0 | 0 | 110.1 | R49 I51 I54 S115 C121 S122 F123 | R49-D119 IonicContact CZ-OD2 2.76Å; R49-D119 IonicContact NH1-OD1 3.52Å; R49-D119 IonicContact NH1-OD2 3.47Å; R49-D119 PolarHBondContact NH1-OD2 2.99Å; R49-D119 IonicContact NH2-OD2 3.18Å; I51-D119 HydrophobicContact CG2-CB 3.75Å; I51-D119 WeakPolarHBondContact CG2-O 3.39Å; I54-D119 HydrophobicContact CD1-CB 3.56Å; S115-D119 VanDerWaalsContact O-CB 3.23Å; S115-D119 WeakPolarHBondContact O-CB 3.32Å; S115-D119 VanDerWaalsContact O-CG 3.31Å; S115-D119 PolarHBondContact O-N 3.38Å; D119-C121 PolarHBondContact O-N 3.5Å; D119-S122 PolarHBondContact O-N 3.23Å; D119-F123 VanDerWaalsContact O-CB 3.26Å; D119-F123 WeakPolarHBondContact O-CB 3.34Å; D119-F123 PolarHBondContact O-N 2.9Å |
| 120 | A | 89.8 | Confident | 87.9 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | F55 I103 A106 E116 Y117 W124 | F55-A120 HydrophobicContact CE1-CB 4.45Å; F55-A120 HydrophobicContact CZ-CB 3.79Å; I103-A120 HydrophobicContact CD1-CB 4.13Å; I103-A120 HydrophobicContact CG2-CB 4.34Å; A106-A120 HydrophobicContact CB-CB 3.96Å; E116-A120 VanDerWaalsContact O-CB 3.32Å; E116-A120 WeakPolarHBondContact O-CB 3.09Å; E116-A120 PolarHBondContact O-N 3.3Å; Y117-A120 PolarHBondContact O-N 2.98Å; A120-W124 WeakPolarHBondContact O-CB 3.5Å; A120-W124 PolarHBondContact O-N 3.47Å |
| 121 | C | 89.1 | Confident | 87.9 | Confident | 34 Ų | 34 | 56.6 Ų | 56.6 | 23% | 0.23 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.1 | -37.5 | 176.7 | -68.6 | 0 | 0 | 0 | 0 | 112 | Y117 L118 D119 K125 | Y117-C121 VanDerWaalsContact CE1-SG 3.56Å; Y117-C121 PolarHBondContact O-N 3.16Å; Y117-C121 PolarHBondContact O-SG 2.97Å; L118-C121 PolarHBondContact O-N 3.33Å; D119-C121 PolarHBondContact O-N 3.5Å; C121-K125 WeakPolarHBondContact O-CG 3.36Å; C121-K125 PolarHBondContact O-N 3.2Å |
| 122 | S | 86.7 | Confident | 87.8 | Confident | 50 Ų | 50 | 55.1 Ų | 55.1 | 35% | 0.35 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -72.3 | -40.7 | 178.1 | -57 | 0 | 0 | 0 | 0 | 112 | L118 D119 K125 M126 | L118-S122 VanDerWaalsContact O-CB 3.31Å; L118-S122 WeakPolarHBondContact O-CB 3.43Å; L118-S122 PolarHBondContact O-N 3.04Å; L118-S122 PolarHBondContact O-OG 3.05Å; D119-S122 PolarHBondContact O-N 3.23Å; S122-K125 PolarHBondContact O-N 3.15Å; S122-M126 WeakPolarHBondContact O-CB 3.43Å; S122-M126 PolarHBondContact O-N 3.46Å |
| 123 | F | 89.8 | Confident | 87.5 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 173.2 | -167.2 | -82.2 | 0 | 0 | 0 | 111.4 | C40 F43 I51 F55 L77 V99 M102 I103 D119 M126 M127 | C40-F123 HydrophobicContact CB-CZ 3.8Å; C40-F123 WeakPolarHBondContact O-CE2 3.3Å; F43-F123 HydrophobicContact CD1-CD2 4.43Å; I51-F123 HydrophobicContact CB-CD2 4.3Å; I51-F123 HydrophobicContact CG2-CB 4Å; I51-F123 HydrophobicContact CG2-CD2 3.99Å; I51-F123 HydrophobicContact CG2-CG 4.5Å; F55-F123 AromaticContact CD2-CD2 3.94Å; F55-F123 HydrophobicContact CD2-CD2 3.94Å; F55-F123 HydrophobicContact CD2-CE2 4.19Å; F55-F123 HydrophobicContact CD2-CG 4.2Å; F55-F123 HydrophobicContact CE2-CB 4Å; F55-F123 HydrophobicContact CE2-CD2 4.12Å; F55-F123 HydrophobicContact CE2-CG 4.04Å; L77-F123 HydrophobicContact CD1-CZ 4.47Å; V99-F123 HydrophobicContact CG1-CE1 4.15Å; M102-F123 HydrophobicContact CE-CD1 4.41Å; M102-F123 HydrophobicContact CE-CE1 3.78Å; M102-F123 HydrophobicContact CE-CZ 4.15Å; I103-F123 HydrophobicContact CD1-CB 4.11Å; I103-F123 HydrophobicContact CD1-CD1 3.8Å; I103-F123 HydrophobicContact CD1-CG 4.27Å; I103-F123 HydrophobicContact CG1-CD1 4.43Å; D119-F123 VanDerWaalsContact O-CB 3.26Å; D119-F123 WeakPolarHBondContact O-CB 3.34Å; D119-F123 PolarHBondContact O-N 2.9Å; F123-M126 HydrophobicContact CD1-CE 4.46Å; F123-M126 HydrophobicContact CD2-CE 4.12Å; F123-M126 HydrophobicContact CE1-CE 4.49Å; F123-M126 HydrophobicContact CE2-CE 4.13Å; F123-M126 HydrophobicContact CG-CE 4.31Å; F123-M126 HydrophobicContact CZ-CE 4.34Å; F123-M126 PolarHBondContact O-N 2.88Å; F123-M127 HydrophobicContact CD1-CG 3.67Å; F123-M127 HydrophobicContact CE1-CG 3.52Å; F123-M127 HydrophobicContact CE1-SD 4.17Å; F123-M127 HydrophobicContact CZ-CG 4.38Å; F123-M127 WeakPolarHBondContact O-CB 3.5Å; F123-M127 VanDerWaalsContact O-CG 3.28Å; F123-M127 WeakPolarHBondContact O-CG 3.48Å; F123-M127 PolarHBondContact O-N 2.91Å |
| 124 | W | 91.8 | Very high | 87.1 | Confident | 51 Ų | 51 | 50.8 Ų | 50.8 | 19% | 0.193 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.8 | -42.4 | 175.8 | -176.9 | -105.3 | 0 | 0 | 0 | 113 | M96 V99 R100 I103 A120 M126 M127 V128 | M96-W124 HydrophobicContact CE-CH2 4.1Å; M96-W124 HydrophobicContact CE-CZ3 4.17Å; V99-W124 HydrophobicContact CG1-CZ3 4.41Å; R100-W124 HydrophobicContact CB-CE3 4.41Å; R100-W124 HydrophobicContact CB-CH2 3.72Å; R100-W124 HydrophobicContact CB-CZ3 3.59Å; R100-W124 HydrophobicContact CG-CH2 3.93Å; R100-W124 HydrophobicContact CG-CZ2 4.38Å; R100-W124 HydrophobicContact CG-CZ3 4.08Å; I103-W124 HydrophobicContact CG1-CB 4.25Å; I103-W124 HydrophobicContact CG1-CE3 4.26Å; I103-W124 HydrophobicContact CG2-CB 3.99Å; I103-W124 HydrophobicContact CG2-CG 4.47Å; A120-W124 WeakPolarHBondContact O-CB 3.5Å; A120-W124 PolarHBondContact O-N 3.47Å; W124-M126 VanDerWaalsContact C-N 3.34Å; W124-M126 PolarHBondContact O-N 2.97Å; W124-M127 PolarHBondContact O-N 2.8Å; W124-V128 HydrophobicContact CD2-CG2 4.2Å; W124-V128 HydrophobicContact CH2-CG2 4.42Å; W124-V128 HydrophobicContact CZ2-CG2 3.7Å; W124-V128 WeakPolarHBondContact O-CG2 3.49Å; W124-V128 PolarHBondContact O-N 3.01Å |
| 125 | K | 88 | Confident | 86.3 | Confident | 153 Ų | 153 | 53.9 Ų | 53.9 | 67% | 0.665 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -56 | -49.3 | 172.3 | -75.8 | 174.2 | 179.8 | -180 | 0 | 111 | C121 S122 M127 V128 E129 | C121-K125 WeakPolarHBondContact O-CG 3.36Å; C121-K125 PolarHBondContact O-N 3.2Å; S122-K125 PolarHBondContact O-N 3.15Å; K125-M127 VanDerWaalsContact C-N 3.34Å; K125-M127 PolarHBondContact O-N 2.75Å; K125-V128 PolarHBondContact O-N 3.01Å; K125-E129 VanDerWaalsContact O-CB 3.23Å; K125-E129 WeakPolarHBondContact O-CB 3.45Å; K125-E129 PolarHBondContact O-N 3.47Å |
| 126 | M | 87.1 | Confident | 85.2 | Confident | 20 Ų | 20 | 54.5 Ų | 54.5 | 10% | 0.099 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60 | -41.4 | 175.7 | 179.1 | -78.9 | -56.5 | 0 | 0 | 112.1 | F43 S122 F123 W124 E129 E130 | F43-M126 HydrophobicContact CB-CE 3.76Å; F43-M126 HydrophobicContact CB-CG 4.39Å; F43-M126 HydrophobicContact CB-SD 4.23Å; F43-M126 HydrophobicContact CD1-CB 3.9Å; F43-M126 HydrophobicContact CD1-CE 3.58Å; F43-M126 HydrophobicContact CD1-CG 3.68Å; F43-M126 HydrophobicContact CD1-SD 4.3Å; F43-M126 HydrophobicContact CD2-CG 3.68Å; F43-M126 HydrophobicContact CE1-CB 3.48Å; F43-M126 VanDerWaalsContact CE1-CB 3.48Å; F43-M126 HydrophobicContact CE1-CE 4.32Å; F43-M126 HydrophobicContact CE1-CG 3.69Å; F43-M126 HydrophobicContact CE2-CB 4.2Å; F43-M126 HydrophobicContact CE2-CG 3.74Å; F43-M126 HydrophobicContact CG-CB 4.39Å; F43-M126 HydrophobicContact CG-CE 3.81Å; F43-M126 HydrophobicContact CG-CG 3.66Å; F43-M126 HydrophobicContact CG-SD 4.14Å; F43-M126 HydrophobicContact CZ-CB 3.68Å; F43-M126 HydrophobicContact CZ-CG 3.75Å; S122-M126 WeakPolarHBondContact O-CB 3.43Å; S122-M126 PolarHBondContact O-N 3.46Å; F123-M126 HydrophobicContact CD1-CE 4.46Å; F123-M126 HydrophobicContact CD2-CE 4.12Å; F123-M126 HydrophobicContact CE1-CE 4.49Å; F123-M126 HydrophobicContact CE2-CE 4.13Å; F123-M126 HydrophobicContact CG-CE 4.31Å; F123-M126 HydrophobicContact CZ-CE 4.34Å; F123-M126 PolarHBondContact O-N 2.88Å; W124-M126 VanDerWaalsContact C-N 3.34Å; W124-M126 PolarHBondContact O-N 2.97Å; M126-E129 CarbonylContact O-C 3.59Å; M126-E129 PolarHBondContact O-N 3.37Å; M126-E130 WeakPolarHBondContact O-CB 3.49Å; M126-E130 PolarHBondContact O-N 3.19Å; M126-E130 HydrophobicContact SD-CB 4.21Å |
| 127 | M | 88.9 | Confident | 83.6 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.6 | -35.5 | -179.9 | -77.4 | -54.4 | -54.1 | 0 | 0 | 113.6 | L36 C40 F95 M96 V99 F123 W124 K125 R131 | L36-M127 HydrophobicContact CB-CE 4.24Å; L36-M127 HydrophobicContact CD2-CE 3.83Å; C40-M127 HydrophobicContact CB-SD 4.29Å; C40-M127 WeakPolarHBondContact SG-CE 3.49Å; C40-M127 PolarHBondContact SG-SD 3.35Å; F95-M127 HydrophobicContact CE1-CE 3.97Å; M96-M127 HydrophobicContact CE-CB 4.26Å; M96-M127 HydrophobicContact SD-CE 3.8Å; V99-M127 HydrophobicContact CG1-CE 4.46Å; V99-M127 HydrophobicContact CG1-CG 4.03Å; F123-M127 HydrophobicContact CD1-CG 3.67Å; F123-M127 HydrophobicContact CE1-CG 3.52Å; F123-M127 HydrophobicContact CE1-SD 4.17Å; F123-M127 HydrophobicContact CZ-CG 4.38Å; F123-M127 WeakPolarHBondContact O-CB 3.5Å; F123-M127 VanDerWaalsContact O-CG 3.28Å; F123-M127 WeakPolarHBondContact O-CG 3.48Å; F123-M127 PolarHBondContact O-N 2.91Å; W124-M127 PolarHBondContact O-N 2.8Å; K125-M127 VanDerWaalsContact C-N 3.34Å; K125-M127 PolarHBondContact O-N 2.75Å; M127-R131 WeakPolarHBondContact O-CB 3.47Å; M127-R131 PolarHBondContact O-N 3.32Å |
| 128 | V | 89.1 | Confident | 81.5 | Confident | 66 Ų | 66 | 51.7 Ų | 51.7 | 40% | 0.4 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -70 | -39.7 | 171.4 | 174 | 0 | 0 | 0 | 0 | 110.6 | W124 K125 R131 R132 | W124-V128 HydrophobicContact CD2-CG2 4.2Å; W124-V128 HydrophobicContact CH2-CG2 4.42Å; W124-V128 HydrophobicContact CZ2-CG2 3.7Å; W124-V128 WeakPolarHBondContact O-CG2 3.49Å; W124-V128 PolarHBondContact O-N 3.01Å; K125-V128 PolarHBondContact O-N 3.01Å; V128-R131 PolarHBondContact O-N 3.47Å; V128-R132 WeakPolarHBondContact O-CB 3.37Å; V128-R132 PolarHBondContact O-N 3.17Å |
| 129 | E | 86.8 | Confident | 79 | Confident | 68 Ų | 68 | 49.5 Ų | 49.5 | 32% | 0.318 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -69.5 | -36.5 | 178.3 | 172.9 | 53.1 | -158.3 | 0 | 0 | 113.1 | K125 M126 R132 K133 | K125-E129 VanDerWaalsContact O-CB 3.23Å; K125-E129 WeakPolarHBondContact O-CB 3.45Å; K125-E129 PolarHBondContact O-N 3.47Å; M126-E129 CarbonylContact O-C 3.59Å; M126-E129 PolarHBondContact O-N 3.37Å; E129-R132 VanDerWaalsContact CD-NH2 3.34Å; E129-R132 WeakPolarHBondContact O-CB 3.37Å; E129-R132 PolarHBondContact O-N 3.34Å; E129-R132 IonicContact OE1-CZ 3.23Å; E129-R132 IonicContact OE1-NE 2.74Å; E129-R132 IonicContact OE1-NH2 3.43Å; E129-R132 PolarHBondContact OE1-NH2 2.93Å; E129-R132 IonicContact OE2-CZ 3.8Å; E129-R132 IonicContact OE2-NE 2.68Å; E129-R132 PolarHBondContact OE2-NE 3.12Å; E129-R132 IonicContact OE2-NH2 2.89Å; E129-R132 PolarHBondContact OE2-NH2 3.4Å; E129-R132 VanDerWaalsContact OE2-NH2 3.17Å; E129-K133 WeakPolarHBondContact O-CE 3.29Å; E129-K133 PolarHBondContact O-N 3.3Å; E129-K133 WeakPolarHBondContact OE1-CE 3.36Å; E129-K133 IonicContact OE1-NZ 3.38Å |
| 130 | E | 85 | Confident | 76.4 | Confident | 52 Ų | 52 | 54.7 Ų | 54.7 | 24% | 0.243 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -78.3 | -31.6 | 174.2 | -161.3 | 77.8 | 172.7 | 0 | 0 | 111.4 | L36 A39 M126 K133 L134 | L36-E130 HydrophobicContact CD2-CB 4.48Å; A39-E130 HydrophobicContact CB-CB 4.44Å; A39-E130 HydrophobicContact CB-CG 3.59Å; M126-E130 WeakPolarHBondContact O-CB 3.49Å; M126-E130 PolarHBondContact O-N 3.19Å; M126-E130 HydrophobicContact SD-CB 4.21Å; E130-K133 PolarHBondContact O-N 2.99Å; E130-K133 WeakPolarHBondContact OE2-CE 3.42Å; E130-K133 IonicContact OE2-NZ 3.49Å; E130-K133 PolarHBondContact OE2-NZ 2.92Å; E130-L134 HydrophobicContact CG-CD1 4.28Å; E130-L134 VanDerWaalsContact O-CB 3.23Å; E130-L134 WeakPolarHBondContact O-CB 3.27Å; E130-L134 VanDerWaalsContact O-CG 3.25Å; E130-L134 WeakPolarHBondContact O-CG 3.35Å; E130-L134 PolarHBondContact O-N 2.63Å |
| 131 | R | 88.3 | Confident | 73.6 | Confident | 54 Ų | 54 | 59.2 Ų | 59.2 | 20% | 0.204 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.1 | -47.9 | 165 | -176.5 | -166.9 | 168.9 | 130.1 | 12.5 | 109.9 | L36 V92 D93 M96 M127 V128 K133 L134 E135 | L36-R131 HydrophobicContact CD2-CB 4.28Å; V92-R131 HydrophobicContact CG1-CG 4.49Å; D93-R131 IonicContact OD1-CZ 3.76Å; D93-R131 VanDerWaalsContact OD1-CZ 3.26Å; D93-R131 IonicContact OD1-NH1 2.78Å; D93-R131 PolarHBondContact OD1-NH1 2.84Å; D93-R131 IonicContact OD1-NH2 2.76Å; D93-R131 PolarHBondContact OD1-NH2 2.95Å; M96-R131 HydrophobicContact CE-CB 4.11Å; M96-R131 HydrophobicContact SD-CB 4.41Å; M127-R131 WeakPolarHBondContact O-CB 3.47Å; M127-R131 PolarHBondContact O-N 3.32Å; V128-R131 PolarHBondContact O-N 3.47Å; R131-K133 PolarHBondContact O-N 2.93Å; R131-L134 CarbonylContact O-C 3.52Å; R131-L134 WeakPolarHBondContact O-CA 3.22Å; R131-L134 PolarHBondContact O-N 2.72Å; R131-E135 HydrophobicContact CG-CG 4.33Å; R131-E135 WeakPolarHBondContact CG-OE2 3.43Å; R131-E135 IonicContact CZ-OE1 2.64Å; R131-E135 IonicContact CZ-OE2 3.62Å; R131-E135 IonicContact NE-OE1 3.37Å; R131-E135 PolarHBondContact NE-OE1 2.97Å; R131-E135 IonicContact NE-OE2 3.51Å; R131-E135 PolarHBondContact NE-OE2 2.79Å; R131-E135 IonicContact NH2-OE1 2.79Å; R131-E135 PolarHBondContact NH2-OE1 2.94Å; R131-E135 WeakPolarHBondContact O-CB 3.36Å; R131-E135 WeakPolarHBondContact O-CG 3.27Å; R131-E135 PolarHBondContact O-N 2.84Å |
| 132 | R | 84.1 | Confident | 70.9 | Confident | 103 Ų | 103 | 59.9 Ų | 59.9 | 39% | 0.389 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -55.9 | -51.4 | 175.3 | -173.5 | -174.3 | 72.4 | 83.5 | 8.3 | 110.5 | V128 E129 L134 E135 E136 | V128-R132 WeakPolarHBondContact O-CB 3.37Å; V128-R132 PolarHBondContact O-N 3.17Å; E129-R132 VanDerWaalsContact CD-NH2 3.34Å; E129-R132 WeakPolarHBondContact O-CB 3.37Å; E129-R132 PolarHBondContact O-N 3.34Å; E129-R132 IonicContact OE1-CZ 3.23Å; E129-R132 IonicContact OE1-NE 2.74Å; E129-R132 IonicContact OE1-NH2 3.43Å; E129-R132 PolarHBondContact OE1-NH2 2.93Å; E129-R132 IonicContact OE2-CZ 3.8Å; E129-R132 IonicContact OE2-NE 2.68Å; E129-R132 PolarHBondContact OE2-NE 3.12Å; E129-R132 IonicContact OE2-NH2 2.89Å; E129-R132 PolarHBondContact OE2-NH2 3.4Å; E129-R132 VanDerWaalsContact OE2-NH2 3.17Å; R132-L134 PolarHBondContact O-N 3.48Å; R132-E135 CarbonylContact O-C 3.58Å; R132-E135 PolarHBondContact O-N 2.91Å; R132-E136 WeakPolarHBondContact CD-OE1 3.27Å; R132-E136 HydrophobicContact CG-CG 4.4Å; R132-E136 WeakPolarHBondContact CG-OE1 3.3Å; R132-E136 IonicContact CZ-OE1 2.76Å; R132-E136 IonicContact CZ-OE2 3.92Å; R132-E136 IonicContact NE-OE1 2.79Å; R132-E136 IonicContact NH1-OE1 2.76Å; R132-E136 PolarHBondContact NH1-OE1 3.28Å; R132-E136 IonicContact NH1-OE2 3.81Å; R132-E136 PolarHBondContact NH1-OE2 3.39Å; R132-E136 IonicContact NH2-OE2 3.7Å; R132-E136 WeakPolarHBondContact O-CB 3.39Å; R132-E136 WeakPolarHBondContact O-CG 3.13Å; R132-E136 PolarHBondContact O-N 2.94Å |
| 133 | K | 80.8 | Confident | 68.1 | Low | 83 Ų | 83 | 58.6 Ų | 58.6 | 36% | 0.361 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.8 | -25.8 | 172.1 | -79.4 | 176.9 | -108.2 | 156.4 | 0 | 114.2 | E129 E130 R131 S137 | E129-K133 WeakPolarHBondContact O-CE 3.29Å; E129-K133 PolarHBondContact O-N 3.3Å; E129-K133 WeakPolarHBondContact OE1-CE 3.36Å; E129-K133 IonicContact OE1-NZ 3.38Å; E130-K133 PolarHBondContact O-N 2.99Å; E130-K133 WeakPolarHBondContact OE2-CE 3.42Å; E130-K133 IonicContact OE2-NZ 3.49Å; E130-K133 PolarHBondContact OE2-NZ 2.92Å; R131-K133 PolarHBondContact O-N 2.93Å; K133-S137 WeakPolarHBondContact O-CA 3.31Å; K133-S137 WeakPolarHBondContact O-CB 3.32Å; K133-S137 PolarHBondContact O-N 3.42Å; K133-S137 PolarHBondContact O-OG 3.25Å |
| 134 | L | 74.4 | Confident | 65.2 | Low | 19 Ų | 19 | 61.2 Ų | 61.2 | 10% | 0.099 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -96.9 | 6.1 | 175.2 | -70.3 | 173.9 | 0 | 0 | 0 | 114 | K35 L36 E130 R131 R132 G138 | K35-L134 HydrophobicContact CB-CD1 3.7Å; K35-L134 HydrophobicContact CB-CD2 4.16Å; K35-L134 HydrophobicContact CD-CD1 4.43Å; K35-L134 HydrophobicContact CD-CD2 3.4Å; K35-L134 HydrophobicContact CG-CD2 4.46Å; L36-L134 HydrophobicContact CD2-CD1 3.71Å; L36-L134 HydrophobicContact CG-CD1 3.68Å; E130-L134 HydrophobicContact CG-CD1 4.28Å; E130-L134 VanDerWaalsContact O-CB 3.23Å; E130-L134 WeakPolarHBondContact O-CB 3.27Å; E130-L134 VanDerWaalsContact O-CG 3.25Å; E130-L134 WeakPolarHBondContact O-CG 3.35Å; E130-L134 PolarHBondContact O-N 2.63Å; R131-L134 CarbonylContact O-C 3.52Å; R131-L134 WeakPolarHBondContact O-CA 3.22Å; R131-L134 PolarHBondContact O-N 2.72Å; R132-L134 PolarHBondContact O-N 3.48Å; L134-G138 VanDerWaalsContact C-N 3.31Å; L134-G138 WeakPolarHBondContact O-CA 3.3Å; L134-G138 PolarHBondContact O-N 3.21Å; L134-G138 VanDerWaalsContact O-N 3.12Å |
| 135 | E | 71.7 | Confident | 62.3 | Low | 90 Ų | 90 | 60.9 Ų | 60.9 | 42% | 0.421 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -110.8 | -23.1 | 165.2 | -72.6 | 176.1 | 145.3 | 0 | 0 | 109.8 | R131 R132 D139 | R131-E135 HydrophobicContact CG-CG 4.33Å; R131-E135 WeakPolarHBondContact CG-OE2 3.43Å; R131-E135 IonicContact CZ-OE1 2.64Å; R131-E135 IonicContact CZ-OE2 3.62Å; R131-E135 IonicContact NE-OE1 3.37Å; R131-E135 PolarHBondContact NE-OE1 2.97Å; R131-E135 IonicContact NE-OE2 3.51Å; R131-E135 PolarHBondContact NE-OE2 2.79Å; R131-E135 IonicContact NH2-OE1 2.79Å; R131-E135 PolarHBondContact NH2-OE1 2.94Å; R131-E135 WeakPolarHBondContact O-CB 3.36Å; R131-E135 WeakPolarHBondContact O-CG 3.27Å; R131-E135 PolarHBondContact O-N 2.84Å; R132-E135 CarbonylContact O-C 3.58Å; R132-E135 PolarHBondContact O-N 2.91Å; E135-D139 VanDerWaalsContact O-CB 3.31Å; E135-D139 WeakPolarHBondContact O-CB 3.37Å; E135-D139 PolarHBondContact O-N 3.49Å |
| 136 | E | 64.7 | Low | 59.5 | Low | 83 Ų | 83 | 55.6 Ų | 55.6 | 39% | 0.388 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -91 | -24.7 | 169 | -68.5 | 169.4 | -174.2 | 0 | 0 | 112.6 | R132 D139 E140 | R132-E136 WeakPolarHBondContact CD-OE1 3.27Å; R132-E136 HydrophobicContact CG-CG 4.4Å; R132-E136 WeakPolarHBondContact CG-OE1 3.3Å; R132-E136 IonicContact CZ-OE1 2.76Å; R132-E136 IonicContact CZ-OE2 3.92Å; R132-E136 IonicContact NE-OE1 2.79Å; R132-E136 IonicContact NH1-OE1 2.76Å; R132-E136 PolarHBondContact NH1-OE1 3.28Å; R132-E136 IonicContact NH1-OE2 3.81Å; R132-E136 PolarHBondContact NH1-OE2 3.39Å; R132-E136 IonicContact NH2-OE2 3.7Å; R132-E136 WeakPolarHBondContact O-CB 3.39Å; R132-E136 WeakPolarHBondContact O-CG 3.13Å; R132-E136 PolarHBondContact O-N 2.94Å; E136-D139 WeakPolarHBondContact O-CB 3.49Å; E136-E140 PolarHBondContact O-N 2.78Å |
| 137 | S | 52.7 | Low | 56.6 | Low | 30 Ų | 30 | 59.5 Ų | 59.5 | 21% | 0.21 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -105 | 1.4 | 159.4 | 79.3 | 0 | 0 | 0 | 0 | 113.8 | K133 D139 E140 L141 | K133-S137 WeakPolarHBondContact O-CA 3.31Å; K133-S137 WeakPolarHBondContact O-CB 3.32Å; K133-S137 PolarHBondContact O-N 3.42Å; K133-S137 PolarHBondContact O-OG 3.25Å; S137-D139 CarbonylContact C-O 3.45Å; S137-D139 CarbonylContact O-C 3.59Å; S137-E140 VanDerWaalsContact CA-N 3.29Å; S137-L141 WeakPolarHBondContact O-CB 3.27Å; S137-L141 PolarHBondContact O-N 3.42Å |
| 138 | G | 47 | Very low | 54 | Low | 20 Ų | 20 | 60.8 Ų | 60.8 | 21% | 0.206 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -90.6 | -24.8 | 160.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L134 S142 | L134-G138 VanDerWaalsContact C-N 3.31Å; L134-G138 WeakPolarHBondContact O-CA 3.3Å; L134-G138 PolarHBondContact O-N 3.21Å; L134-G138 VanDerWaalsContact O-N 3.12Å; G138-S142 WeakPolarHBondContact O-CB 3.32Å; G138-S142 PolarHBondContact O-OG 3.3Å |
| 139 | D | 36 | Very low | 51.2 | Low | 50 Ų | 50 | 63.3 Ų | 63.3 | 27% | 0.267 | 32% | 0.319 | S | S | . | . | H | α-helix | -51.5 | -113.7 | 124.2 | -56.7 | -23 | 0 | 0 | 0 | 107.9 | E135 E136 S137 L141 S142 E143 R147 | E135-D139 VanDerWaalsContact O-CB 3.31Å; E135-D139 WeakPolarHBondContact O-CB 3.37Å; E135-D139 PolarHBondContact O-N 3.49Å; E136-D139 WeakPolarHBondContact O-CB 3.49Å; S137-D139 CarbonylContact C-O 3.45Å; S137-D139 CarbonylContact O-C 3.59Å; D139-L141 CarbonylContact O-C 3.57Å; D139-L141 PolarHBondContact O-N 3.46Å; D139-S142 CarbonylContact O-C 3.59Å; D139-S142 PolarHBondContact O-N 3.22Å; D139-E143 HydrophobicContact CB-CB 3.91Å; D139-E143 HydrophobicContact CB-CG 3.87Å; D139-E143 WeakPolarHBondContact O-CA 3.38Å; D139-E143 WeakPolarHBondContact O-CB 3.35Å; D139-E143 PolarHBondContact O-N 2.72Å; D139-R147 IonicContact OD1-NH2 2.77Å; D139-R147 IonicContact OD2-CZ 3.13Å; D139-R147 IonicContact OD2-NH1 3.74Å; D139-R147 PolarHBondContact OD2-NH1 3.42Å; D139-R147 IonicContact OD2-NH2 3.62Å; D139-R147 PolarHBondContact OD2-NH2 3.27Å | |
| 140 | E | 32.1 | Very low | 48.3 | Very low | 122 Ų | 122 | 66.5 Ų | 66.5 | 57% | 0.57 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -36.1 | -4.5 | -157.2 | -76.8 | -146.7 | 105.1 | 0 | 0 | 122.5 | E136 S137 S144 R147 | E136-E140 PolarHBondContact O-N 2.78Å; S137-E140 VanDerWaalsContact CA-N 3.29Å; E140-S144 WeakPolarHBondContact O-CA 3.3Å; E140-S144 WeakPolarHBondContact O-CB 3.27Å; E140-S144 PolarHBondContact O-N 2.83Å; E140-S144 PolarHBondContact O-OG 2.99Å; E140-R147 HydrophobicContact CG-CG 4.2Å |
| 141 | L | 31.5 | Very low | 45.6 | Very low | 96 Ų | 96 | 70.6 Ų | 70.6 | 50% | 0.503 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | -25.2 | 164.9 | -66.6 | 157.2 | 0 | 0 | 0 | 115.4 | K35 S137 D139 E143 S144 | K35-L141 VanDerWaalsContact NZ-CD1 3.27Å; S137-L141 WeakPolarHBondContact O-CB 3.27Å; S137-L141 PolarHBondContact O-N 3.42Å; D139-L141 CarbonylContact O-C 3.57Å; D139-L141 PolarHBondContact O-N 3.46Å; L141-E143 VanDerWaalsContact C-N 3.33Å; L141-S144 WeakPolarHBondContact CA-OG 3.28Å |
| 142 | S | 31.8 | Very low | 42.7 | Very low | 48 Ų | 48 | 69.8 Ų | 69.8 | 34% | 0.336 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -32.8 | 151.9 | 91.9 | 0 | 0 | 0 | 0 | 109.9 | G138 D139 G145 L146 | G138-S142 WeakPolarHBondContact O-CB 3.32Å; G138-S142 PolarHBondContact O-OG 3.3Å; D139-S142 CarbonylContact O-C 3.59Å; D139-S142 PolarHBondContact O-N 3.22Å; S142-G145 CarbonylContact O-C 3.5Å; S142-G145 WeakPolarHBondContact O-CA 3.44Å; S142-G145 PolarHBondContact O-N 3.4Å; S142-L146 PolarHBondContact O-N 2.77Å; S142-L146 VanDerWaalsContact O-N 3.1Å |
| 143 | E | 28.3 | Very low | 40 | Very low | 22 Ų | 22 | 66.3 Ų | 66.3 | 10% | 0.103 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -86.6 | -18.6 | 177.7 | -82.2 | -144.4 | -120.9 | 0 | 0 | 114.3 | D139 L141 G145 L146 R147 | D139-E143 HydrophobicContact CB-CB 3.91Å; D139-E143 HydrophobicContact CB-CG 3.87Å; D139-E143 WeakPolarHBondContact O-CA 3.38Å; D139-E143 WeakPolarHBondContact O-CB 3.35Å; D139-E143 PolarHBondContact O-N 2.72Å; L141-E143 VanDerWaalsContact C-N 3.33Å; E143-G145 PolarHBondContact O-N 3.03Å; E143-L146 VanDerWaalsContact C-N 3.29Å; E143-L146 VanDerWaalsContact CA-N 3.27Å; E143-L146 HydrophobicContact CB-CB 4.09Å; E143-L146 HydrophobicContact CG-CB 3.53Å; E143-L146 CarbonylContact O-C 3.56Å; E143-L146 PolarHBondContact O-N 2.85Å; E143-R147 HydrophobicContact CB-CB 3.48Å; E143-R147 VanDerWaalsContact CB-CB 3.48Å; E143-R147 HydrophobicContact CB-CG 3.46Å; E143-R147 VanDerWaalsContact CB-CG 3.46Å; E143-R147 VanDerWaalsContact CD-CG 3.45Å; E143-R147 HydrophobicContact CG-CB 4.22Å; E143-R147 HydrophobicContact CG-CG 3.99Å; E143-R147 CarbonylContact O-C 3.58Å; E143-R147 WeakPolarHBondContact O-CA 3.31Å; E143-R147 PolarHBondContact O-N 2.85Å; E143-R147 IonicContact OE1-CZ 3.94Å; E143-R147 IonicContact OE1-NE 3.64Å; E143-R147 PolarHBondContact OE1-NE 3.38Å; E143-R147 IonicContact OE1-NH2 2.69Å; E143-R147 PolarHBondContact OE1-NH2 2.83Å; E143-R147 WeakPolarHBondContact OE2-CA 3.08Å; E143-R147 VanDerWaalsContact OE2-CB 3.31Å; E143-R147 WeakPolarHBondContact OE2-CB 3.18Å; E143-R147 WeakPolarHBondContact OE2-CD 3.47Å; E143-R147 WeakPolarHBondContact OE2-CG 3.29Å; E143-R147 IonicContact OE2-CZ 2.64Å; E143-R147 PolarHBondContact OE2-N 3.12Å; E143-R147 IonicContact OE2-NE 3.79Å; E143-R147 PolarHBondContact OE2-NE 2.92Å; E143-R147 IonicContact OE2-NH2 3.44Å |
| 144 | S | 29.9 | Very low | 37.4 | Very low | 55 Ų | 55 | 63.2 Ų | 63.2 | 39% | 0.385 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -70.1 | 13.7 | 149 | 58.7 | 0 | 0 | 0 | 0 | 111.5 | E140 L141 K1251 | E140-S144 WeakPolarHBondContact O-CA 3.3Å; E140-S144 WeakPolarHBondContact O-CB 3.27Å; E140-S144 PolarHBondContact O-N 2.83Å; E140-S144 PolarHBondContact O-OG 2.99Å; L141-S144 WeakPolarHBondContact CA-OG 3.28Å; S144-K1251 WeakPolarHBondContact O-CD 3.44Å; S144-K1251 WeakPolarHBondContact O-CE 3.49Å; S144-K1251 PolarHBondContact O-NZ 3.29Å |
| 145 | G | 30.6 | Very low | 35.4 | Very low | 44 Ų | 44 | 64.3 Ų | 64.3 | 45% | 0.454 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -125.2 | 10.6 | 148.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | S142 E143 | S142-G145 CarbonylContact O-C 3.5Å; S142-G145 WeakPolarHBondContact O-CA 3.44Å; S142-G145 PolarHBondContact O-N 3.4Å; E143-G145 PolarHBondContact O-N 3.03Å |
| 146 | L | 29.5 | Very low | 33.2 | Very low | 43 Ų | 43 | 64 Ų | 64 | 23% | 0.225 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -155.6 | -28.4 | -173 | -72.8 | 170 | 0 | 0 | 0 | 115.7 | S142 E143 S148 R149 E150 | S142-L146 PolarHBondContact O-N 2.77Å; S142-L146 VanDerWaalsContact O-N 3.1Å; E143-L146 VanDerWaalsContact C-N 3.29Å; E143-L146 VanDerWaalsContact CA-N 3.27Å; E143-L146 HydrophobicContact CB-CB 4.09Å; E143-L146 HydrophobicContact CG-CB 3.53Å; E143-L146 CarbonylContact O-C 3.56Å; E143-L146 PolarHBondContact O-N 2.85Å; L146-S148 PolarHBondContact O-N 3.16Å; L146-R149 CarbonylContact O-C 3.56Å; L146-R149 WeakPolarHBondContact O-CA 3.45Å; L146-R149 WeakPolarHBondContact O-CB 3.33Å; L146-R149 PolarHBondContact O-N 2.88Å; L146-R149 VanDerWaalsContact O-O 3.05Å; L146-E150 PolarHBondContact O-N 2.99Å |
| 147 | R | 26.3 | Very low | 31.4 | Very low | 102 Ų | 102 | 64.7 Ų | 64.7 | 39% | 0.385 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -80.8 | 45.7 | 154.1 | -77 | -63.8 | 130.7 | 79.5 | 7.4 | 106.8 | D139 E140 E143 | D139-R147 IonicContact OD1-NH2 2.77Å; D139-R147 IonicContact OD2-CZ 3.13Å; D139-R147 IonicContact OD2-NH1 3.74Å; D139-R147 PolarHBondContact OD2-NH1 3.42Å; D139-R147 IonicContact OD2-NH2 3.62Å; D139-R147 PolarHBondContact OD2-NH2 3.27Å; E140-R147 HydrophobicContact CG-CG 4.2Å; E143-R147 HydrophobicContact CB-CB 3.48Å; E143-R147 VanDerWaalsContact CB-CB 3.48Å; E143-R147 HydrophobicContact CB-CG 3.46Å; E143-R147 VanDerWaalsContact CB-CG 3.46Å; E143-R147 VanDerWaalsContact CD-CG 3.45Å; E143-R147 HydrophobicContact CG-CB 4.22Å; E143-R147 HydrophobicContact CG-CG 3.99Å; E143-R147 CarbonylContact O-C 3.58Å; E143-R147 WeakPolarHBondContact O-CA 3.31Å; E143-R147 PolarHBondContact O-N 2.85Å; E143-R147 IonicContact OE1-CZ 3.94Å; E143-R147 IonicContact OE1-NE 3.64Å; E143-R147 PolarHBondContact OE1-NE 3.38Å; E143-R147 IonicContact OE1-NH2 2.69Å; E143-R147 PolarHBondContact OE1-NH2 2.83Å; E143-R147 WeakPolarHBondContact OE2-CA 3.08Å; E143-R147 VanDerWaalsContact OE2-CB 3.31Å; E143-R147 WeakPolarHBondContact OE2-CB 3.18Å; E143-R147 WeakPolarHBondContact OE2-CD 3.47Å; E143-R147 WeakPolarHBondContact OE2-CG 3.29Å; E143-R147 IonicContact OE2-CZ 2.64Å; E143-R147 PolarHBondContact OE2-N 3.12Å; E143-R147 IonicContact OE2-NE 3.79Å; E143-R147 PolarHBondContact OE2-NE 2.92Å; E143-R147 IonicContact OE2-NH2 3.44Å |
| 148 | S | 33.9 | Very low | 30.2 | Very low | 26 Ų | 26 | 73.7 Ų | 73.7 | 18% | 0.182 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -129.8 | 31.9 | 146.5 | 168.6 | 0 | 0 | 0 | 0 | 105.7 | L146 K1253 V1254 | L146-S148 PolarHBondContact O-N 3.16Å; S148-K1253 VanDerWaalsContact OG-CA 3.27Å; S148-K1253 WeakPolarHBondContact OG-CA 3.44Å; S148-V1254 PolarHBondContact OG-N 2.85Å |
| 149 | R | 29.9 | Very low | 29.3 | Very low | 120 Ų | 120 | 77 Ų | 77 | 45% | 0.453 | 40% | 0.403 | S | S | . | . | S | Bend | trans | 172.5 | 29.5 | -161.2 | -151.6 | -155.1 | 72.7 | 158.8 | 9 | 110.2 | L146 | L146-R149 CarbonylContact O-C 3.56Å; L146-R149 WeakPolarHBondContact O-CA 3.45Å; L146-R149 WeakPolarHBondContact O-CB 3.33Å; L146-R149 PolarHBondContact O-N 2.88Å; L146-R149 VanDerWaalsContact O-O 3.05Å |
| 150 | E | 26.6 | Very low | 28.8 | Very low | 134 Ų | 134 | 82 Ų | 82 | 63% | 0.626 | 43% | 0.429 | S | S | * | . | S | Bend | -125.9 | 166.2 | 82.5 | -81.5 | 148.9 | -146.9 | 0 | 0 | 116 | L146 | L146-E150 PolarHBondContact O-N 2.99Š| |
| 151 | N | 27.6 | Very low | 28.5 | Very low | 138 Ų | 138 | 87.6 Ų | 87.6 | 74% | 0.738 | 45% | 0.445 | S | S | * | . | S | Bend | trans | 50.5 | 58.2 | 174.6 | -70.1 | 7.2 | 0 | 0 | 0 | 117.3 | ||
| 152 | S | 27.4 | Very low | 28.2 | Very low | 37 Ų | 37 | 88.1 Ų | 88.1 | 26% | 0.259 | 46% | 0.456 | S | S | . | . | S | Bend | -110.3 | 133.3 | 87.9 | -139.5 | 0 | 0 | 0 | 0 | 107.1 | Q1256 | S152-Q1256 CarbonylContact C-O 3.57Å; S152-Q1256 VanDerWaalsContact C-O 3.28Å; S152-Q1256 WeakPolarHBondContact CA-O 3.42Å; S152-Q1256 WeakPolarHBondContact CB-O 3.36Å; S152-Q1256 WeakPolarHBondContact O-CB 3.24Å; S152-Q1256 VanDerWaalsContact O-CD 3.22Å; S152-Q1256 WeakPolarHBondContact O-CG 3.47Å; S152-Q1256 PolarHBondContact O-OE1 3.19Å; S152-Q1256 PolarHBondContact OG-O 3.13Å | |
| 153 | P | 27.7 | Very low | 27.9 | Very low | 30 Ų | 30 | 94.6 Ų | 94.6 | 20% | 0.195 | 48% | 0.479 | C | S | . | . | trans | -35.6 | -95.2 | -174.2 | 44.8 | -25.3 | 0 | 0 | 0 | 129.8 | F156 Q1256 H1257 V1258 | P153-F156 HydrophobicContact CB-CD2 4.19Å; P153-F156 HydrophobicContact CB-CE2 3.6Å; P153-F156 HydrophobicContact CB-CZ 4.26Å; P153-Q1256 VanDerWaalsContact N-O 3.1Å; P153-Q1256 PolarHBondContact O-NE2 3.3Å; P153-Q1256 VanDerWaalsContact O-NE2 3.07Å; P153-H1257 CarbonylContact C-O 3.6Å; P153-H1257 VanDerWaalsContact CA-O 3.22Å; P153-H1257 WeakPolarHBondContact CA-O 3.36Å; P153-V1258 HydrophobicContact CG-CG2 3.95Å | ||
| 154 | T | 27.2 | Very low | 27.9 | Very low | 18 Ų | 18 | 99.6 Ų | 99.6 | 11% | 0.11 | 52% | 0.516 | C | S | . | . | trans | -48.4 | 172.1 | -159.7 | 52.3 | 0 | 0 | 0 | 0 | 122.7 | F156 Q1256 H1257 S1259 V1262 | T154-F156 HydrophobicContact CG2-CB 4.17Å; T154-Q1256 WeakPolarHBondContact O-CB 3.46Å; T154-Q1256 PolarHBondContact O-NE2 3.33Å; T154-Q1256 WeakPolarHBondContact OG1-CA 3.35Å; T154-Q1256 VanDerWaalsContact OG1-CB 3.3Å; T154-Q1256 WeakPolarHBondContact OG1-CB 3.12Å; T154-Q1256 PolarHBondContact OG1-N 3.35Å; T154-H1257 VanDerWaalsContact CA-O 3.32Å; T154-H1257 WeakPolarHBondContact CA-O 3.49Å; T154-H1257 WeakPolarHBondContact CB-O 3.38Å; T154-H1257 HydrophobicContact CG2-CB 3.82Å; T154-H1257 WeakPolarHBondContact CG2-O 3.48Å; T154-H1257 PolarHBondContact N-O 2.97Å; T154-H1257 PolarHBondContact OG1-CD2 3.16Å; T154-H1257 PolarHBondContact OG1-N 3.14Å; T154-S1259 VanDerWaalsContact CG2-O 3.25Å; T154-S1259 WeakPolarHBondContact CG2-O 3.34Å; T154-V1262 HydrophobicContact CG2-CB 4.26Å | ||
| 155 | V | 31.1 | Very low | 27.7 | Very low | 43 Ų | 43 | 101.2 Ų | 101.2 | 26% | 0.261 | 53% | 0.527 | S | S | . | . | cis | -101.1 | 96.1 | -17 | -175.7 | 0 | 0 | 0 | 0 | 104.2 | T157 D1264 | V155-T157 VanDerWaalsContact C-N 3.33Å; V155-T157 PolarHBondContact O-N 3.24Å; V155-D1264 HydrophobicContact CB-CB 4.23Å; V155-D1264 HydrophobicContact CG2-CB 3.63Å; V155-D1264 WeakPolarHBondContact CG2-OD1 3.49Å | ||
| 156 | F | 26.5 | Very low | 27.6 | Very low | 83 Ų | 83 | 106.5 Ų | 106.5 | 36% | 0.364 | 55% | 0.545 | S | S | . | . | 41.8 | 61.1 | 72.6 | -84.9 | -101.6 | 0 | 0 | 0 | 112.2 | P153 T154 V1258 D1260 | P153-F156 HydrophobicContact CB-CD2 4.19Å; P153-F156 HydrophobicContact CB-CE2 3.6Å; P153-F156 HydrophobicContact CB-CZ 4.26Å; T154-F156 HydrophobicContact CG2-CB 4.17Å; F156-V1258 WeakPolarHBondContact CD1-O 3.27Å; F156-D1260 WeakPolarHBondContact CB-OD1 3.48Å; F156-D1260 WeakPolarHBondContact CD1-OD1 3.29Å; F156-D1260 WeakPolarHBondContact O-CA 3.5Å; F156-D1260 VanDerWaalsContact O-CB 3.22Å; F156-D1260 WeakPolarHBondContact O-CB 3.46Å; F156-D1260 VanDerWaalsContact O-OD1 3.05Å | |||
| 157 | T | 25.6 | Very low | 27.5 | Very low | 97 Ų | 97 | 109.1 Ų | 109.1 | 60% | 0.595 | 56% | 0.556 | S | S | * | * | -126.7 | 89.3 | 125 | 63.6 | 0 | 0 | 0 | 0 | 109.1 | V155 D1260 | V155-T157 VanDerWaalsContact C-N 3.33Å; V155-T157 PolarHBondContact O-N 3.24Å; T157-D1260 WeakPolarHBondContact CA-OD2 3.37Å; T157-D1260 HydrophobicContact CG2-CB 4.39Å | |||
| 158 | R | 28.4 | Very low | 27.5 | Very low | 220 Ų | 220 | 112.5 Ų | 112.5 | 83% | 0.83 | 58% | 0.578 | S | S | * | * | trans | -165.9 | 43.4 | 159.7 | -108.3 | 154.5 | -152.6 | -120.8 | -2.7 | 111.7 | ||||
| 159 | S | 27.8 | Very low | 27.3 | Very low | 90 Ų | 90 | 118.8 Ų | 118.8 | 63% | 0.629 | 61% | 0.607 | S | S | * | * | trans | -57.2 | 142.8 | 166.9 | -170.8 | 0 | 0 | 0 | 0 | 111.3 | R161 | S159-R161 PolarHBondContact O-N 3.15Š| ||
| 160 | L | 26.3 | Very low | 27.2 | Very low | 153 Ų | 153 | 123.6 Ų | 123.6 | 80% | 0.801 | 63% | 0.625 | S | S | * | * | trans | -68.2 | 119.3 | -174.9 | -61.4 | 154.3 | 0 | 0 | 0 | 111.3 | ||||
| 161 | R | 24.8 | Very low | 27.4 | Very low | 241 Ų | 241 | 122.8 Ų | 122.8 | 91% | 0.909 | 62% | 0.624 | S | S | * | * | 174.2 | 159.3 | 123.1 | -91.7 | 151.3 | -166 | -135.4 | 1.5 | 114.9 | S159 | S159-R161 PolarHBondContact O-N 3.15Š| |||
| 162 | S | 25.4 | Very low | 27.5 | Very low | 106 Ų | 106 | 127.5 Ų | 127.5 | 74% | 0.741 | 63% | 0.632 | S | S | * | * | trans | 55.7 | 104.2 | 164.7 | 53.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 163 | K | 25.4 | Very low | 27.5 | Very low | 185 Ų | 185 | 131.3 Ų | 131.3 | 80% | 0.804 | 65% | 0.649 | S | S | * | * | 45.1 | 102.1 | 121.3 | -58.5 | -178.4 | -179.3 | -168.1 | 0 | 118.5 | |||||
| 164 | S | 28.1 | Very low | 27.5 | Very low | 127 Ų | 127 | 134 Ų | 134 | 89% | 0.888 | 66% | 0.661 | S | S | * | * | 173.4 | 163.9 | 127.7 | -163.4 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 165 | S | 26.3 | Very low | 27.8 | Very low | 89 Ų | 89 | 137.6 Ų | 137.6 | 62% | 0.622 | 69% | 0.693 | S | S | * | * | trans | -95.5 | 169.8 | -163.5 | 62.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 166 | N | 27 | Very low | 27.6 | Very low | 154 Ų | 154 | 141.1 Ų | 141.1 | 82% | 0.824 | 72% | 0.72 | S | S | * | * | trans | 74.3 | 50.1 | 148 | -67.3 | -35.8 | 0 | 0 | 0 | 120.7 | ||||
| 167 | H | 27.8 | Very low | 27.9 | Very low | 98 Ų | 98 | 141 Ų | 141 | 45% | 0.454 | 73% | 0.727 | S | S | . | * | trans | -147.3 | 105.8 | 130.5 | -173.1 | -126.1 | 0 | 0 | 0 | 114.6 | ||||
| 168 | M | 27.5 | Very low | 27.9 | Very low | 174 Ų | 174 | 144.2 Ų | 144.2 | 86% | 0.857 | 74% | 0.739 | S | S | * | * | trans | -149.7 | 86.2 | 156.4 | -82 | -159.6 | 68.2 | 0 | 0 | 111.4 | ||||
| 169 | M | 29.6 | Very low | 28 | Very low | 158 Ų | 158 | 139.3 Ų | 139.3 | 78% | 0.778 | 74% | 0.738 | S | S | * | * | trans | -141.9 | 152 | 163.1 | -125.3 | -167.7 | -173 | 0 | 0 | 110.6 | ||||
| 170 | R | 27.9 | Very low | 28 | Very low | 221 Ų | 221 | 137.4 Ų | 137.4 | 83% | 0.834 | 73% | 0.734 | S | S | * | * | S | Bend | trans | 75.4 | 43.4 | 175.1 | -47.4 | 174.1 | 177.5 | 169 | -0.2 | 119.2 | R877 | R170-R877 PolarHBondContact O-NH1 3.49Š|
| 171 | L | 30.8 | Very low | 28.3 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 61% | 0.607 | 72% | 0.718 | S | S | * | * | trans | -148.4 | 60.7 | 166.1 | -113.8 | 174.6 | 0 | 0 | 0 | 114.3 | R877 | L171-R877 HydrophobicContact CD2-CB 4.23Š| ||
| 172 | R | 28.8 | Very low | 29.1 | Very low | 238 Ų | 238 | 126.3 Ų | 126.3 | 90% | 0.898 | 70% | 0.698 | S | S | * | * | trans | -154.7 | 71 | 173.1 | -144.3 | 177.3 | -161.7 | -176.6 | 6.5 | 114.4 | ||||
| 173 | D | 27.7 | Very low | 30 | Very low | 116 Ų | 116 | 128 Ų | 128 | 62% | 0.62 | 69% | 0.694 | S | S | * | * | trans | -146.1 | 146.1 | 170.9 | -125.1 | -31.2 | 0 | 0 | 0 | 109.4 | ||||
| 174 | N | 27.7 | Very low | 31.9 | Very low | 86 Ų | 86 | 121 Ų | 121 | 46% | 0.46 | 67% | 0.667 | S | S | . | * | trans | 70.9 | 103.7 | -168.8 | -57.6 | -26.3 | 0 | 0 | 0 | 117.4 | E879 | N174-E879 VanDerWaalsContact CB-CD 3.49Å; N174-E879 WeakPolarHBondContact CB-OE1 3.39Å; N174-E879 WeakPolarHBondContact CB-OE2 3.39Å; N174-E879 PolarHBondContact ND2-OE2 3.25Å | ||
| 175 | A | 32.5 | Very low | 34.1 | Very low | 94 Ų | 94 | 117.1 Ų | 117.1 | 78% | 0.777 | 64% | 0.639 | S | S | * | * | trans | -150.5 | 154.4 | 144.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 176 | S | 28.6 | Very low | 36.9 | Very low | 118 Ų | 118 | 117.3 Ų | 117.3 | 83% | 0.825 | 63% | 0.627 | S | S | * | * | trans | -110.3 | 155.1 | -178.6 | -73.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 177 | P | 32 | Very low | 39.6 | Very low | 80 Ų | 80 | 113.8 Ų | 113.8 | 52% | 0.519 | 61% | 0.605 | S | S | . | * | trans | -73.2 | 174.4 | -168.7 | 30.1 | -36.7 | 0 | 0 | 0 | 114.2 | L295 | P177-L295 HydrophobicContact CB-CD1 4.4Å; P177-L295 HydrophobicContact CB-CD2 4.12Å; P177-L295 HydrophobicContact CG-CD1 3.98Å; P177-L295 HydrophobicContact CG-CD2 4.05Å | ||
| 178 | I | 26.2 | Very low | 42.4 | Very low | 165 Ų | 165 | 110.2 Ų | 110.2 | 85% | 0.846 | 59% | 0.59 | S | S | * | * | trans | 98.5 | 67.7 | 177.9 | -48.5 | 157.2 | 0 | 0 | 0 | 114 | ||||
| 179 | S | 29.3 | Very low | 45.4 | Very low | 116 Ų | 116 | 102.3 Ų | 102.3 | 81% | 0.811 | 55% | 0.551 | S | S | * | * | S | Bend | -165.9 | 160.5 | 129.3 | -160.5 | 0 | 0 | 0 | 0 | 109.3 | S181 | S179-S181 PolarHBondContact O-N 3.09Š| |
| 180 | G | 28.5 | Very low | 48.3 | Very low | 51 Ų | 51 | 95.3 Ų | 95.3 | 53% | 0.526 | 52% | 0.517 | S | S | . | . | trans | -81.1 | 110.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 181 | S | 33.2 | Very low | 51.3 | Low | 68 Ų | 68 | 85.8 Ų | 85.8 | 48% | 0.476 | 48% | 0.482 | S | S | . | . | trans | -130 | 112.7 | 163 | 59.7 | 0 | 0 | 0 | 0 | 107.8 | S179 H183 | S179-S181 PolarHBondContact O-N 3.09Å; S181-H183 PolarHBondContact O-N 2.56Å; S181-H183 VanDerWaalsContact O-N 3.08Å | ||
| 182 | D | 41.8 | Very low | 54.3 | Low | 92 Ų | 92 | 80.3 Ų | 80.3 | 49% | 0.492 | 45% | 0.453 | S | S | . | . | trans | -70.6 | -5.9 | -165 | -77.7 | -75.2 | 0 | 0 | 0 | 116 | V184 S247 | D182-V184 PolarHBondContact O-N 3.03Å; D182-S247 WeakPolarHBondContact O-CA 3.48Å; D182-S247 WeakPolarHBondContact O-CB 3.44Å | ||
| 183 | H | 44.4 | Very low | 57.4 | Low | 142 Ų | 142 | 69 Ų | 69 | 66% | 0.657 | 41% | 0.41 | S | S | * | . | trans | -62.8 | 93.3 | 177.5 | -63.3 | -58.2 | 0 | 0 | 0 | 112.8 | S181 K246 | S181-H183 PolarHBondContact O-N 2.56Å; S181-H183 VanDerWaalsContact O-N 3.08Å; H183-K246 WeakPolarHBondContact CA-O 3.3Å | ||
| 184 | V | 64.4 | Low | 60.5 | Low | 38 Ų | 38 | 63.5 Ų | 63.5 | 23% | 0.23 | 38% | 0.381 | C | S | . | . | trans | -76.5 | 135.9 | 169.7 | 174.1 | 0 | 0 | 0 | 0 | 108.7 | D182 V188 L189 K246 L248 | D182-V184 PolarHBondContact O-N 3.03Å; V184-V188 HydrophobicContact CG1-CB 3.55Å; V184-V188 HydrophobicContact CG1-CG1 3.46Å; V184-V188 VanDerWaalsContact CG1-CG1 3.46Å; V184-L189 HydrophobicContact CB-CD2 4.28Å; V184-L189 HydrophobicContact CG1-CD2 3.87Å; V184-L189 HydrophobicContact CG1-CG 3.96Å; V184-K246 PolarHBondContact N-O 2.84Å; V184-L248 HydrophobicContact CG1-CG 4.1Å; V184-L248 HydrophobicContact CG2-CB 4.19Å; V184-L248 HydrophobicContact CG2-CD1 4.3Å; V184-L248 HydrophobicContact CG2-CG 3.93Å | ||
| 185 | S | 75.2 | Confident | 63.6 | Low | 45 Ų | 45 | 60.7 Ų | 60.7 | 32% | 0.315 | 37% | 0.367 | S | S | . | . | trans | -66.8 | 143.6 | 176 | 70.7 | 0 | 0 | 0 | 0 | 110.7 | Q187 V188 L189 | S185-Q187 PolarHBondContact O-N 3.04Å; S185-V188 WeakPolarHBondContact O-CB 3.42Å; S185-V188 PolarHBondContact O-N 2.69Å; S185-L189 PolarHBondContact O-N 2.89Å | ||
| 186 | R | 83.3 | Confident | 66.6 | Low | 93 Ų | 93 | 56.3 Ų | 56.3 | 35% | 0.351 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -48 | -39.3 | 177.5 | 178.2 | 175.6 | 153.7 | 152.4 | 1.5 | 112.6 | V188 L189 E190 L240 | R186-V188 VanDerWaalsContact C-N 3.28Å; R186-V188 PolarHBondContact O-N 3.39Å; R186-L189 CarbonylContact O-C 3.6Å; R186-L189 WeakPolarHBondContact O-CB 3.34Å; R186-L189 PolarHBondContact O-N 3.06Å; R186-L189 VanDerWaalsContact O-N 3.1Å; R186-E190 HydrophobicContact CG-CG 4.15Å; R186-E190 IonicContact CZ-OE1 2.69Å; R186-E190 VanDerWaalsContact CZ-OE1 3.29Å; R186-E190 IonicContact NE-OE1 3.59Å; R186-E190 PolarHBondContact NE-OE1 3.45Å; R186-E190 IonicContact NH2-OE1 2.75Å; R186-E190 PolarHBondContact NH2-OE1 2.78Å; R186-E190 WeakPolarHBondContact O-CG 3.22Å; R186-E190 PolarHBondContact O-N 3.49Å; R186-L240 HydrophobicContact CG-CD2 4.12Å |
| 187 | Q | 84.7 | Confident | 69.7 | Low | 81 Ų | 81 | 51.3 Ų | 51.3 | 38% | 0.379 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -57.2 | -33.8 | 176.2 | -61.5 | 150.4 | -16.2 | 0 | 0 | 114.1 | S185 Q191 I298 M303 | S185-Q187 PolarHBondContact O-N 3.04Å; Q187-Q191 WeakPolarHBondContact O-CB 3.37Å; Q187-Q191 PolarHBondContact O-N 3.35Å; Q187-I298 HydrophobicContact CB-CD1 4.14Å; Q187-M303 HydrophobicContact CB-CG 4.5Å; Q187-M303 HydrophobicContact CG-CE 4.27Å; Q187-M303 HydrophobicContact CG-CG 4.33Å; Q187-M303 HydrophobicContact CG-SD 4.27Å; Q187-M303 VanDerWaalsContact NE2-CE 3.3Å |
| 188 | V | 86.6 | Confident | 72.6 | Confident | 22 Ų | 22 | 51.1 Ų | 51.1 | 13% | 0.133 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -79.6 | -32.7 | 178.1 | 171.1 | 0 | 0 | 0 | 0 | 111.1 | V184 S185 R186 L192 L248 L290 I298 | V184-V188 HydrophobicContact CG1-CB 3.55Å; V184-V188 HydrophobicContact CG1-CG1 3.46Å; V184-V188 VanDerWaalsContact CG1-CG1 3.46Å; S185-V188 WeakPolarHBondContact O-CB 3.42Å; S185-V188 PolarHBondContact O-N 2.69Å; R186-V188 VanDerWaalsContact C-N 3.28Å; R186-V188 PolarHBondContact O-N 3.39Å; V188-L192 PolarHBondContact O-N 3.43Å; V188-L248 HydrophobicContact CG1-CD1 4.11Å; V188-L248 HydrophobicContact CG1-CD2 4.49Å; V188-L248 HydrophobicContact CG1-CG 4.44Å; V188-L290 HydrophobicContact CG1-CB 4.19Å; V188-L290 HydrophobicContact CG1-CD1 4.05Å; V188-L290 HydrophobicContact CG1-CD2 4.23Å; V188-L290 HydrophobicContact CG1-CG 4.37Å; V188-I298 HydrophobicContact CG2-CD1 4.02Å |
| 189 | L | 90.3 | Very high | 75.7 | Confident | 8 Ų | 8 | 43.7 Ų | 43.7 | 4% | 0.042 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.1 | -44.1 | 168.9 | -57.3 | 173.8 | 0 | 0 | 0 | 110.7 | V184 S185 R186 Q191 L192 L193 L240 L248 I251 | V184-L189 HydrophobicContact CB-CD2 4.28Å; V184-L189 HydrophobicContact CG1-CD2 3.87Å; V184-L189 HydrophobicContact CG1-CG 3.96Å; S185-L189 PolarHBondContact O-N 2.89Å; R186-L189 CarbonylContact O-C 3.6Å; R186-L189 WeakPolarHBondContact O-CB 3.34Å; R186-L189 PolarHBondContact O-N 3.06Å; R186-L189 VanDerWaalsContact O-N 3.1Å; L189-Q191 PolarHBondContact O-N 2.99Å; L189-L192 PolarHBondContact O-N 3.35Å; L189-L192 VanDerWaalsContact O-N 3.16Å; L189-L193 PolarHBondContact O-N 3.31Å; L189-L240 HydrophobicContact CB-CD1 3.82Å; L189-L240 HydrophobicContact CB-CG 4.19Å; L189-L248 HydrophobicContact CD2-CD2 4.5Å; L189-I251 HydrophobicContact CB-CD1 4.5Å; L189-I251 HydrophobicContact CD2-CG2 3.8Å |
| 190 | E | 91.2 | Very high | 78.6 | Confident | 11 Ų | 11 | 44.4 Ų | 44.4 | 5% | 0.051 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.5 | -43.1 | 175.5 | -71.7 | 171.7 | 154.5 | 0 | 0 | 111.1 | R186 L192 L193 A194 L240 N306 V310 | R186-E190 HydrophobicContact CG-CG 4.15Å; R186-E190 IonicContact CZ-OE1 2.69Å; R186-E190 VanDerWaalsContact CZ-OE1 3.29Å; R186-E190 IonicContact NE-OE1 3.59Å; R186-E190 PolarHBondContact NE-OE1 3.45Å; R186-E190 IonicContact NH2-OE1 2.75Å; R186-E190 PolarHBondContact NH2-OE1 2.78Å; R186-E190 WeakPolarHBondContact O-CG 3.22Å; R186-E190 PolarHBondContact O-N 3.49Å; E190-L192 VanDerWaalsContact C-N 3.34Å; E190-L192 PolarHBondContact O-N 3.13Å; E190-L193 PolarHBondContact O-N 2.75Å; E190-A194 WeakPolarHBondContact O-CB 3.47Å; E190-A194 PolarHBondContact O-N 3.07Å; E190-L240 HydrophobicContact CG-CD1 4.3Å; E190-L240 HydrophobicContact CG-CD2 3.74Å; E190-N306 HydrophobicContact CB-CB 4.24Å; E190-V310 HydrophobicContact CB-CG2 4.45Å; E190-V310 HydrophobicContact CG-CG2 4.47Å |
| 191 | Q | 91 | Very high | 81.4 | Confident | 21 Ų | 21 | 43.3 Ų | 43.3 | 10% | 0.098 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.8 | -38.4 | 174.4 | -175 | 83.7 | 77.7 | 0 | 0 | 112.1 | Q187 L189 T195 L290 E302 N306 | Q187-Q191 WeakPolarHBondContact O-CB 3.37Å; Q187-Q191 PolarHBondContact O-N 3.35Å; L189-Q191 PolarHBondContact O-N 2.99Å; Q191-T195 WeakPolarHBondContact O-CB 3.19Å; Q191-T195 PolarHBondContact O-N 3.44Å; Q191-T195 PolarHBondContact O-OG1 3.47Å; Q191-L290 HydrophobicContact CB-CD2 4.49Å; Q191-L290 HydrophobicContact CG-CD2 4.06Å; Q191-E302 PolarHBondContact NE2-OE1 3.04Å; Q191-N306 PolarHBondContact NE2-ND2 3.17Å; Q191-N306 PolarHBondContact NE2-OD1 3.42Å; Q191-N306 VanDerWaalsContact NE2-OD1 3.17Å; Q191-N306 PolarHBondContact OE1-ND2 3.41Å |
| 192 | L | 92.7 | Very high | 83.4 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67 | -48.2 | 176.3 | -176.5 | 67 | 0 | 0 | 0 | 111.3 | V188 L189 E190 T195 V196 L248 I251 L255 K286 L290 | V188-L192 PolarHBondContact O-N 3.43Å; L189-L192 PolarHBondContact O-N 3.35Å; L189-L192 VanDerWaalsContact O-N 3.16Å; E190-L192 VanDerWaalsContact C-N 3.34Å; E190-L192 PolarHBondContact O-N 3.13Å; L192-T195 WeakPolarHBondContact O-CB 3.31Å; L192-T195 PolarHBondContact O-N 3.1Å; L192-V196 PolarHBondContact O-N 2.86Å; L192-L248 HydrophobicContact CB-CD2 4.45Å; L192-L248 HydrophobicContact CD2-CD2 3.75Å; L192-I251 HydrophobicContact CD2-CG2 3.75Å; L192-L255 HydrophobicContact CD2-CD1 4.26Å; L192-K286 HydrophobicContact CD1-CB 3.79Å; L192-K286 HydrophobicContact CD1-CG 3.83Å; L192-L290 HydrophobicContact CB-CD1 3.88Å; L192-L290 HydrophobicContact CD1-CD1 4.24Å |
| 193 | L | 94.4 | Very high | 85.2 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67 | -43.6 | -179.2 | -175.5 | 57.2 | 0 | 0 | 0 | 111.7 | L189 E190 T195 V196 L197 L233 I236 A237 L240 I251 V310 | L189-L193 PolarHBondContact O-N 3.31Å; E190-L193 PolarHBondContact O-N 2.75Å; L193-T195 VanDerWaalsContact C-N 3.27Å; L193-T195 PolarHBondContact O-N 3.38Å; L193-V196 WeakPolarHBondContact O-CB 3.45Å; L193-V196 PolarHBondContact O-N 2.76Å; L193-L197 HydrophobicContact CD1-CD1 4.41Å; L193-L197 HydrophobicContact CD1-CG 4.45Å; L193-L197 HydrophobicContact CG-CD1 3.98Å; L193-L197 HydrophobicContact CG-CG 4.45Å; L193-L197 WeakPolarHBondContact O-CG 3.14Å; L193-L197 PolarHBondContact O-N 2.86Å; L193-L233 HydrophobicContact CD1-CD2 4.06Å; L193-I236 HydrophobicContact CD1-CG2 3.86Å; L193-I236 HydrophobicContact CD2-CG2 4.27Å; L193-A237 HydrophobicContact CD2-CB 3.91Å; L193-L240 HydrophobicContact CB-CD1 4.17Å; L193-L240 HydrophobicContact CD2-CD1 3.87Å; L193-I251 HydrophobicContact CB-CD1 4.42Å; L193-V310 HydrophobicContact CB-CG2 4.28Å; L193-V310 HydrophobicContact CD2-CG1 4.16Å; L193-V310 HydrophobicContact CD2-CG2 4.05Å; L193-V310 HydrophobicContact CG-CG2 4.21Å |
| 194 | A | 93.1 | Very high | 86.8 | Confident | 2 Ų | 2 | 41 Ų | 41 | 2% | 0.017 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.4 | -38.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | E190 V196 L197 T198 N306 V309 | E190-A194 WeakPolarHBondContact O-CB 3.47Å; E190-A194 PolarHBondContact O-N 3.07Å; A194-V196 VanDerWaalsContact C-N 3.25Å; A194-V196 PolarHBondContact O-N 2.68Å; A194-L197 PolarHBondContact O-N 3.23Å; A194-L197 VanDerWaalsContact O-N 3.11Å; A194-T198 PolarHBondContact O-N 3.42Å; A194-T198 PolarHBondContact O-OG1 3.32Å; A194-N306 HydrophobicContact CB-CB 4.04Å; A194-N306 WeakPolarHBondContact CB-OD1 3.39Å; A194-V309 HydrophobicContact CB-CB 4.31Å; A194-V309 HydrophobicContact CB-CG1 4.16Å |
| 195 | T | 92.9 | Very high | 88 | Confident | 27 Ų | 27 | 43.3 Ų | 43.3 | 17% | 0.166 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.1 | -32.3 | 174.8 | -57 | 0 | 0 | 0 | 0 | 112.4 | Q191 L192 L193 L282 K286 | Q191-T195 WeakPolarHBondContact O-CB 3.19Å; Q191-T195 PolarHBondContact O-N 3.44Å; Q191-T195 PolarHBondContact O-OG1 3.47Å; L192-T195 WeakPolarHBondContact O-CB 3.31Å; L192-T195 PolarHBondContact O-N 3.1Å; L193-T195 VanDerWaalsContact C-N 3.27Å; L193-T195 PolarHBondContact O-N 3.38Å; T195-L282 HydrophobicContact CG2-CD1 4.04Å; T195-L282 HydrophobicContact CG2-CD2 4.21Å; T195-L282 HydrophobicContact CG2-CG 4.12Å; T195-L282 WeakPolarHBondContact O-CD2 3.36Å; T195-K286 HydrophobicContact CG2-CB 4.29Å; T195-K286 HydrophobicContact CG2-CD 4.22Å; T195-K286 HydrophobicContact CG2-CG 3.93Å; T195-K286 VanDerWaalsContact OG1-CE 3.27Å; T195-K286 WeakPolarHBondContact OG1-CE 3.34Å |
| 196 | V | 94.7 | Very high | 88.7 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -76.2 | -39.1 | 173.3 | 176.3 | 0 | 0 | 0 | 0 | 111.3 | L192 L193 A194 A199 L233 L255 I279 V283 | L192-V196 PolarHBondContact O-N 2.86Å; L193-V196 WeakPolarHBondContact O-CB 3.45Å; L193-V196 PolarHBondContact O-N 2.76Å; A194-V196 VanDerWaalsContact C-N 3.25Å; A194-V196 PolarHBondContact O-N 2.68Å; V196-A199 WeakPolarHBondContact O-CB 3.39Å; V196-A199 PolarHBondContact O-N 3.05Å; V196-L233 HydrophobicContact CG1-CD1 4.4Å; V196-L233 HydrophobicContact CG1-CD2 4.05Å; V196-L255 HydrophobicContact CG2-CD1 4.43Å; V196-L255 HydrophobicContact CG2-CD2 4.4Å; V196-I279 HydrophobicContact CG1-CG1 4.49Å; V196-I279 HydrophobicContact CG1-CG2 3.86Å; V196-I279 HydrophobicContact CG2-CG2 4.35Å; V196-V283 HydrophobicContact CG2-CG2 3.58Å |
| 197 | L | 93.6 | Very high | 89.1 | Confident | 14 Ų | 14 | 40.5 Ų | 40.5 | 7% | 0.073 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -72.7 | -29.1 | -176.7 | -67.2 | 172.4 | 0 | 0 | 0 | 113.9 | L193 A194 C208 L233 V309 L313 | L193-L197 HydrophobicContact CD1-CD1 4.41Å; L193-L197 HydrophobicContact CD1-CG 4.45Å; L193-L197 HydrophobicContact CG-CD1 3.98Å; L193-L197 HydrophobicContact CG-CG 4.45Å; L193-L197 WeakPolarHBondContact O-CG 3.14Å; L193-L197 PolarHBondContact O-N 2.86Å; A194-L197 PolarHBondContact O-N 3.23Å; A194-L197 VanDerWaalsContact O-N 3.11Å; L197-C208 HydrophobicContact CD2-CB 4.29Å; L197-C208 PolarHBondContact O-SG 2.86Å; L197-L233 HydrophobicContact CD2-CB 4.39Å; L197-L233 HydrophobicContact CD2-CD1 3.93Å; L197-V309 HydrophobicContact CB-CG1 3.65Å; L197-V309 HydrophobicContact CD1-CG1 3.95Å; L197-V309 HydrophobicContact CG-CG1 4.46Å; L197-L313 HydrophobicContact CD1-CB 4.39Å; L197-L313 HydrophobicContact CD1-CD2 4.01Å; L197-L313 HydrophobicContact CD2-CD2 3.73Å |
| 198 | T | 92.6 | Very high | 89.4 | Confident | 75 Ų | 75 | 36.7 Ų | 36.7 | 46% | 0.46 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 24.1 | 174.8 | 74.1 | 0 | 0 | 0 | 0 | 113 | A194 V309 | A194-T198 PolarHBondContact O-N 3.42Å; A194-T198 PolarHBondContact O-OG1 3.32Å; T198-V309 HydrophobicContact CG2-CG1 4.03Å; T198-V309 HydrophobicContact CG2-CG2 4.08Å |
| 199 | A | 91.6 | Very high | 89.6 | Confident | 10 Ų | 10 | 38.4 Ų | 38.4 | 8% | 0.083 | 24% | 0.244 | C | C | . | . | trans | -88.7 | 125.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | V196 L206 L207 L282 | V196-A199 WeakPolarHBondContact O-CB 3.39Å; V196-A199 PolarHBondContact O-N 3.05Å; A199-L206 CarbonylContact O-C 3.6Å; A199-L206 WeakPolarHBondContact O-CA 3.41Å; A199-L207 HydrophobicContact CB-CB 4.32Å; A199-L207 HydrophobicContact CB-CD1 3.89Å; A199-L207 HydrophobicContact CB-CG 4.26Å; A199-L207 PolarHBondContact O-N 2.86Å; A199-L282 HydrophobicContact CB-CD2 3.46Å; A199-L282 VanDerWaalsContact CB-CD2 3.46Å | ||
| 200 | E | 90.5 | Very high | 89.4 | Confident | 130 Ų | 130 | 40.7 Ų | 40.7 | 61% | 0.607 | 26% | 0.264 | S | S | * | . | B | Isolated β-bridge | trans | -108.4 | 145 | 178.8 | -66.8 | 167 | -163.7 | 0 | 0 | 111.2 | R205 L206 | E200-R205 CarbonylContact C-O 3.58Å; E200-R205 WeakPolarHBondContact CA-O 3.15Å; E200-L206 HydrophobicContact CG-CD2 3.97Å |
| 201 | S | 86.1 | Confident | 89.6 | Confident | 29 Ų | 29 | 40.5 Ų | 40.5 | 20% | 0.203 | 26% | 0.263 | C | S | . | . | trans | -77.2 | 169.1 | 160.5 | 33.3 | 0 | 0 | 0 | 0 | 111 | D203 G204 R205 | S201-D203 WeakPolarHBondContact CB-OD1 3.38Å; S201-D203 PolarHBondContact O-N 2.66Å; S201-D203 PolarHBondContact OG-OD1 2.69Å; S201-G204 PolarHBondContact O-N 3.49Å; S201-R205 PolarHBondContact N-O 2.91Å; S201-R205 PolarHBondContact OG-NH2 3.12Å; S201-R205 PolarHBondContact OG-O 3.08Å | ||
| 202 | G | 77.3 | Confident | 89.5 | Confident | 99 Ų | 99 | 42.8 Ų | 42.8 | 100% | 1.021 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | 2.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 203 | D | 79 | Confident | 89.5 | Confident | 106 Ų | 106 | 46.3 Ų | 46.3 | 57% | 0.567 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | -0.9 | 171.8 | 59.6 | -4.7 | 0 | 0 | 0 | 112.8 | S201 R205 | S201-D203 WeakPolarHBondContact CB-OD1 3.38Å; S201-D203 PolarHBondContact O-N 2.66Å; S201-D203 PolarHBondContact OG-OD1 2.69Å; D203-R205 VanDerWaalsContact C-N 3.32Å; D203-R205 VanDerWaalsContact OD1-CB 3.27Å; D203-R205 WeakPolarHBondContact OD1-CB 3.09Å; D203-R205 PolarHBondContact OD1-N 3.2Å; D203-R205 IonicContact OD2-NE 3.19Å; D203-R205 PolarHBondContact OD2-NE 3.1Å |
| 204 | G | 78.6 | Confident | 89.2 | Confident | 49 Ų | 49 | 47.9 Ų | 47.9 | 51% | 0.505 | 30% | 0.297 | S | S | . | . | S | Bend | trans | 80.3 | 4.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | S201 | S201-G204 PolarHBondContact O-N 3.49Š|
| 205 | R | 89.2 | Confident | 88.8 | Confident | 86 Ų | 86 | 49.7 Ų | 49.7 | 33% | 0.325 | 31% | 0.309 | S | S | . | . | trans | -84.5 | 134.1 | -179.5 | -178 | -177.3 | 58.1 | 84.7 | 15.3 | 110.7 | E200 S201 D203 L207 D275 | E200-R205 CarbonylContact C-O 3.58Å; E200-R205 WeakPolarHBondContact CA-O 3.15Å; S201-R205 PolarHBondContact N-O 2.91Å; S201-R205 PolarHBondContact OG-NH2 3.12Å; S201-R205 PolarHBondContact OG-O 3.08Å; D203-R205 VanDerWaalsContact C-N 3.32Å; D203-R205 VanDerWaalsContact OD1-CB 3.27Å; D203-R205 WeakPolarHBondContact OD1-CB 3.09Å; D203-R205 PolarHBondContact OD1-N 3.2Å; D203-R205 IonicContact OD2-NE 3.19Å; D203-R205 PolarHBondContact OD2-NE 3.1Å; R205-L207 PolarHBondContact O-N 2.56Å; R205-D275 IonicContact CZ-OD1 2.77Å; R205-D275 IonicContact CZ-OD2 2.84Å; R205-D275 IonicContact NH1-OD1 2.81Å; R205-D275 IonicContact NH1-OD2 2.9Å; R205-D275 PolarHBondContact NH1-OD2 3.07Å; R205-D275 IonicContact NH2-OD1 3.19Å; R205-D275 PolarHBondContact NH2-OD1 2.92Å; R205-D275 IonicContact NH2-OD2 3.43Å; R205-D275 PolarHBondContact NH2-OD2 3Å | ||
| 206 | L | 88.9 | Confident | 88.2 | Confident | 67 Ų | 67 | 50.8 Ų | 50.8 | 35% | 0.351 | 32% | 0.318 | S | S | . | . | B | Isolated β-bridge | trans | -65.2 | 119.6 | 176.2 | -70.9 | 174.3 | 0 | 0 | 0 | 111.7 | A199 E200 C208 A209 | A199-L206 CarbonylContact O-C 3.6Å; A199-L206 WeakPolarHBondContact O-CA 3.41Å; E200-L206 HydrophobicContact CG-CD2 3.97Å; L206-C208 PolarHBondContact O-N 3.08Å; L206-A209 WeakPolarHBondContact O-CB 3.29Å; L206-A209 PolarHBondContact O-N 2.96Å |
| 207 | L | 91.5 | Very high | 87.7 | Confident | 12 Ų | 12 | 59.3 Ų | 59.3 | 6% | 0.063 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -33.3 | 176.7 | -60.8 | -177.8 | 0 | 0 | 0 | 112 | A199 R205 A209 F211 D275 A278 I279 | A199-L207 HydrophobicContact CB-CB 4.32Å; A199-L207 HydrophobicContact CB-CD1 3.89Å; A199-L207 HydrophobicContact CB-CG 4.26Å; A199-L207 PolarHBondContact O-N 2.86Å; R205-L207 PolarHBondContact O-N 2.56Å; L207-A209 PolarHBondContact O-N 3.2Å; L207-F211 WeakPolarHBondContact O-CD2 3.4Å; L207-F211 VanDerWaalsContact O-CE2 3.25Å; L207-F211 WeakPolarHBondContact O-CE2 3.45Å; L207-D275 HydrophobicContact CD2-CB 4.41Å; L207-D275 WeakPolarHBondContact CD2-OD1 3.48Å; L207-A278 HydrophobicContact CD1-CB 3.86Å; L207-A278 HydrophobicContact CD2-CB 4.49Å; L207-I279 HydrophobicContact CB-CD1 4.2Å; L207-I279 HydrophobicContact CB-CG1 4.02Å; L207-I279 HydrophobicContact CD1-CG1 4.38Å |
| 208 | C | 91.8 | Very high | 86.9 | Confident | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.007 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -9.6 | -176.9 | 73.1 | 0 | 0 | 0 | 0 | 114.3 | L197 L206 A210 F211 K212 L233 | L197-C208 HydrophobicContact CD2-CB 4.29Å; L197-C208 PolarHBondContact O-SG 2.86Å; L206-C208 PolarHBondContact O-N 3.08Å; C208-A210 PolarHBondContact O-N 3.06Å; C208-F211 WeakPolarHBondContact O-CB 3.31Å; C208-F211 PolarHBondContact O-N 2.91Å; C208-K212 PolarHBondContact O-N 3.14Å; C208-L233 HydrophobicContact CB-CD1 3.7Å |
| 209 | A | 89.7 | Confident | 86.2 | Confident | 58 Ų | 58 | 69.7 Ų | 69.7 | 48% | 0.479 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -58.4 | -46.7 | -166.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L206 L207 F211 | L206-A209 WeakPolarHBondContact O-CB 3.29Å; L206-A209 PolarHBondContact O-N 2.96Å; L207-A209 PolarHBondContact O-N 3.2Å; A209-F211 PolarHBondContact O-N 3.37Å |
| 210 | A | 87.9 | Confident | 85.8 | Confident | 55 Ų | 55 | 75.5 Ų | 75.5 | 46% | 0.455 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -76.8 | 0.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | C208 I272 | C208-A210 PolarHBondContact O-N 3.06Å; A210-I272 HydrophobicContact CB-CD1 4.14Å; A210-I272 HydrophobicContact CB-CG1 3.97Å |
| 211 | F | 93.5 | Very high | 85.5 | Confident | 8 Ų | 8 | 72.1 Ų | 72.1 | 4% | 0.035 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -117.9 | -0 | -171 | -58.1 | -94.5 | 0 | 0 | 0 | 113.2 | L207 C208 A209 F213 L233 L258 A262 I272 D275 A276 I279 | L207-F211 WeakPolarHBondContact O-CD2 3.4Å; L207-F211 VanDerWaalsContact O-CE2 3.25Å; L207-F211 WeakPolarHBondContact O-CE2 3.45Å; C208-F211 WeakPolarHBondContact O-CB 3.31Å; C208-F211 PolarHBondContact O-N 2.91Å; A209-F211 PolarHBondContact O-N 3.37Å; F211-F213 VanDerWaalsContact C-N 3.35Å; F211-F213 PolarHBondContact O-N 3.07Å; F211-L233 HydrophobicContact CB-CD1 3.66Å; F211-L233 HydrophobicContact CB-CG 4.07Å; F211-L233 WeakPolarHBondContact O-CB 3.3Å; F211-L233 WeakPolarHBondContact O-CG 3.3Å; F211-L233 PolarHBondContact O-N 2.88Å; F211-L258 HydrophobicContact CB-CD1 4.22Å; F211-L258 HydrophobicContact CB-CD2 4.23Å; F211-L258 HydrophobicContact CB-CG 4.5Å; F211-L258 HydrophobicContact CD1-CD1 3.96Å; F211-L258 HydrophobicContact CD1-CD2 4.23Å; F211-L258 HydrophobicContact CD1-CG 3.85Å; F211-A262 HydrophobicContact CD1-CB 4.47Å; F211-A262 HydrophobicContact CE1-CB 3.55Å; F211-A262 HydrophobicContact CZ-CB 4.23Å; F211-I272 HydrophobicContact CE1-CG2 4.46Å; F211-I272 HydrophobicContact CZ-CG2 3.98Å; F211-D275 HydrophobicContact CE2-CB 3.75Å; F211-D275 HydrophobicContact CZ-CB 4.09Å; F211-A276 HydrophobicContact CE1-CB 4Å; F211-A276 HydrophobicContact CZ-CB 3.86Å; F211-I279 HydrophobicContact CD2-CD1 3.88Å; F211-I279 HydrophobicContact CE2-CD1 3.82Å; F211-I279 HydrophobicContact CG-CD1 4.31Å; F211-I279 HydrophobicContact CZ-CD1 4.18Å |
| 212 | K | 90.8 | Very high | 85.3 | Confident | 69 Ų | 69 | 74.4 Ų | 74.4 | 30% | 0.3 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -63.6 | -38.7 | -178.1 | -69.6 | -168.6 | 176 | -171.8 | 0 | 113 | C208 H234 L313 | C208-K212 PolarHBondContact O-N 3.14Å; K212-H234 WeakPolarHBondContact O-CB 3.3Å; K212-H234 PolarHBondContact O-N 2.93Å; K212-L313 HydrophobicContact CB-CD1 4.16Å; K212-L313 HydrophobicContact CD-CD1 4.14Å; K212-L313 HydrophobicContact CG-CD1 4.09Å |
| 213 | F | 91.4 | Very high | 85.9 | Confident | 75 Ų | 75 | 70.6 Ų | 70.6 | 33% | 0.329 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -138.8 | 146.8 | -175.7 | -57.3 | -62.5 | 0 | 0 | 0 | 111.3 | F211 D232 H234 C316 A317 | F211-F213 VanDerWaalsContact C-N 3.35Å; F211-F213 PolarHBondContact O-N 3.07Å; F213-D232 VanDerWaalsContact C-CB 3.49Å; F213-D232 VanDerWaalsContact CA-OD2 3.27Å; F213-D232 WeakPolarHBondContact CA-OD2 3.31Å; F213-H234 HydrophobicContact CD1-CB 4Å; F213-H234 HydrophobicContact CE1-CB 3.77Å; F213-H234 AromaticContact CE1-CG 3.99Å; F213-C316 HydrophobicContact CZ-CB 3.86Å; F213-A317 HydrophobicContact CE1-CB 3.99Å |
| 214 | V | 88.4 | Confident | 86.3 | Confident | 32 Ų | 32 | 69 Ų | 69 | 19% | 0.194 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 140.1 | 170.5 | -178 | 0 | 0 | 0 | 0 | 109.4 | Y223 Y224 P230 D232 | V214-Y223 HydrophobicContact CG1-CE1 3.85Å; V214-Y224 HydrophobicContact CG1-CE1 4.44Å; V214-Y224 VanDerWaalsContact CG1-OH 3.22Å; V214-Y224 WeakPolarHBondContact CG1-OH 3.42Å; V214-P230 HydrophobicContact CG1-CB 3.8Å; V214-P230 HydrophobicContact CG2-CB 4.19Å; V214-D232 HydrophobicContact CG2-CB 3.82Å; V214-D232 WeakPolarHBondContact CG2-OD2 2.99Å; V214-D232 PolarHBondContact N-OD2 3.08Å |
| 215 | P | 84 | Confident | 86.6 | Confident | 41 Ų | 41 | 74.5 Ų | 74.5 | 27% | 0.266 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 144.2 | 174.1 | -25.1 | 34.3 | 0 | 0 | 0 | 112.8 | R217 W220 Y223 Y224 | P215-R217 PolarHBondContact O-N 3.39Å; P215-W220 HydrophobicContact CB-CB 3.94Å; P215-W220 HydrophobicContact CB-CG 3.76Å; P215-Y223 HydrophobicContact CG-CD1 4.48Å; P215-Y223 HydrophobicContact CG-CD2 4.16Å; P215-Y223 HydrophobicContact CG-CE1 4.48Å; P215-Y223 HydrophobicContact CG-CE2 4.18Å; P215-Y223 HydrophobicContact CG-CG 4.33Å; P215-Y224 VanDerWaalsContact O-CE2 3.24Å; P215-Y224 WeakPolarHBondContact O-CE2 3.5Å; P215-Y224 PolarHBondContact O-OH 2.97Å |
| 216 | S | 82.1 | Confident | 86.4 | Confident | 49 Ų | 49 | 75.4 Ų | 75.4 | 34% | 0.343 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 134 | 176.6 | 167.5 | 0 | 0 | 0 | 0 | 111.3 | E218 L219 W220 | S216-E218 PolarHBondContact O-N 2.85Å; S216-E218 PolarHBondContact OG-N 2.95Å; S216-L219 PolarHBondContact O-N 3.12Å; S216-W220 WeakPolarHBondContact O-CB 3.24Å; S216-W220 PolarHBondContact O-N 3.09Å |
| 217 | R | 83.4 | Confident | 86.5 | Confident | 181 Ų | 181 | 72.4 Ų | 72.4 | 68% | 0.683 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -25.1 | 179.3 | -169.1 | 173.8 | -175.6 | -172.5 | 2.3 | 113.6 | P215 Y224 | P215-R217 PolarHBondContact O-N 3.39Å; R217-Y224 HydrophobicContact CB-CD2 4Å; R217-Y224 HydrophobicContact CB-CE1 4.29Å; R217-Y224 HydrophobicContact CB-CE2 3.66Å; R217-Y224 HydrophobicContact CB-CG 4.47Å; R217-Y224 HydrophobicContact CG-CD1 4.19Å; R217-Y224 HydrophobicContact CG-CD2 3.83Å; R217-Y224 HydrophobicContact CG-CE1 4.31Å; R217-Y224 HydrophobicContact CG-CE2 4.02Å; R217-Y224 HydrophobicContact CG-CG 3.93Å |
| 218 | E | 76.8 | Confident | 86.2 | Confident | 171 Ų | 171 | 78.9 Ų | 78.9 | 80% | 0.799 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -39.7 | 179.2 | -59.7 | 171.6 | 153.9 | 0 | 0 | 111.3 | S216 | S216-E218 PolarHBondContact O-N 2.85Å; S216-E218 PolarHBondContact OG-N 2.95Å |
| 219 | L | 78.1 | Confident | 86 | Confident | 136 Ų | 136 | 83.6 Ų | 83.6 | 71% | 0.712 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -27.4 | 179.2 | -62.3 | 178 | 0 | 0 | 0 | 113 | S216 P221 | S216-L219 PolarHBondContact O-N 3.12Å; L219-P221 VanDerWaalsContact C-CD 3.41Å |
| 220 | W | 81.9 | Confident | 86.1 | Confident | 132 Ų | 132 | 82.9 Ų | 82.9 | 50% | 0.5 | 40% | 0.401 | S | S | . | . | trans | -127.7 | 57 | -175 | -63.3 | 88.9 | 0 | 0 | 0 | 113.1 | P215 S216 D222 Y223 F265 | P215-W220 HydrophobicContact CB-CB 3.94Å; P215-W220 HydrophobicContact CB-CG 3.76Å; S216-W220 WeakPolarHBondContact O-CB 3.24Å; S216-W220 PolarHBondContact O-N 3.09Å; W220-D222 PolarHBondContact O-N 3.24Å; W220-D222 VanDerWaalsContact O-N 3.13Å; W220-Y223 VanDerWaalsContact O-CB 3.3Å; W220-Y223 WeakPolarHBondContact O-CB 3.44Å; W220-Y223 PolarHBondContact O-N 2.89Å; W220-F265 HydrophobicContact CE3-CE1 4.02Å; W220-F265 AromaticContact CE3-CZ 3.77Å; W220-F265 HydrophobicContact CE3-CZ 3.77Å; W220-F265 AromaticContact CZ3-CE1 3.98Å; W220-F265 HydrophobicContact CZ3-CE1 3.98Å; W220-F265 HydrophobicContact CZ3-CZ 4.01Å | ||
| 221 | P | 85.7 | Confident | 86.4 | Confident | 58 Ų | 58 | 80.7 Ų | 80.7 | 38% | 0.377 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -17.5 | -178.5 | 28.5 | -36.8 | 0 | 0 | 0 | 113.9 | L219 R225 | L219-P221 VanDerWaalsContact C-CD 3.41Å; P221-R225 PolarHBondContact O-NE 3.5Å |
| 222 | D | 82.1 | Confident | 86.4 | Confident | 77 Ų | 77 | 81.2 Ų | 81.2 | 41% | 0.412 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -29.4 | 171.6 | -70.1 | -84.4 | 0 | 0 | 0 | 112.6 | W220 R225 M226 F265 | W220-D222 PolarHBondContact O-N 3.24Å; W220-D222 VanDerWaalsContact O-N 3.13Å; D222-R225 VanDerWaalsContact CG-CZ 3.49Å; D222-R225 PolarHBondContact O-N 2.82Å; D222-R225 VanDerWaalsContact O-N 3.17Å; D222-R225 IonicContact OD1-CZ 3.77Å; D222-R225 IonicContact OD1-NH1 3.37Å; D222-R225 PolarHBondContact OD1-NH1 2.71Å; D222-R225 IonicContact OD1-NH2 3.57Å; D222-R225 PolarHBondContact OD1-NH2 2.93Å; D222-R225 IonicContact OD2-CZ 3.11Å; D222-R225 IonicContact OD2-NH1 2.87Å; D222-R225 IonicContact OD2-NH2 3.01Å; D222-R225 PolarHBondContact OD2-NH2 2.99Å; D222-M226 HydrophobicContact CB-CE 4.27Å; D222-M226 PolarHBondContact O-N 2.66Å; D222-M226 VanDerWaalsContact O-N 3.14Å; D222-F265 HydrophobicContact CB-CE2 4.47Å |
| 223 | Y | 88.4 | Confident | 86.6 | Confident | 19 Ų | 19 | 77.9 Ų | 77.9 | 8% | 0.075 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.3 | -49.4 | 176.2 | -177.2 | -90.8 | 0 | 0 | 0 | 110.3 | V214 P215 W220 R225 M226 I227 P230 F265 | V214-Y223 HydrophobicContact CG1-CE1 3.85Å; P215-Y223 HydrophobicContact CG-CD1 4.48Å; P215-Y223 HydrophobicContact CG-CD2 4.16Å; P215-Y223 HydrophobicContact CG-CE1 4.48Å; P215-Y223 HydrophobicContact CG-CE2 4.18Å; P215-Y223 HydrophobicContact CG-CG 4.33Å; W220-Y223 VanDerWaalsContact O-CB 3.3Å; W220-Y223 WeakPolarHBondContact O-CB 3.44Å; W220-Y223 PolarHBondContact O-N 2.89Å; Y223-R225 PolarHBondContact O-N 3.11Å; Y223-M226 PolarHBondContact O-N 2.77Å; Y223-M226 VanDerWaalsContact O-N 3.12Å; Y223-I227 HydrophobicContact CD1-CB 4.33Å; Y223-I227 HydrophobicContact CD1-CG1 4.34Å; Y223-I227 HydrophobicContact CD2-CG1 4.04Å; Y223-I227 HydrophobicContact CE1-CB 4.06Å; Y223-I227 HydrophobicContact CE1-CG1 4.13Å; Y223-I227 HydrophobicContact CE1-CG2 4.14Å; Y223-I227 HydrophobicContact CE2-CG1 3.82Å; Y223-I227 HydrophobicContact CG-CG1 4.29Å; Y223-I227 WeakPolarHBondContact O-CB 3.42Å; Y223-I227 PolarHBondContact O-N 2.84Å; Y223-P230 HydrophobicContact CE1-CB 4.15Å; Y223-F265 VanDerWaalsContact CA-CE2 3.44Å; Y223-F265 HydrophobicContact CD2-CB 4.12Å; Y223-F265 AromaticContact CD2-CD1 3.91Å; Y223-F265 HydrophobicContact CD2-CD1 3.91Å; Y223-F265 AromaticContact CD2-CD2 3.72Å; Y223-F265 HydrophobicContact CD2-CD2 3.72Å; Y223-F265 HydrophobicContact CD2-CE1 4.26Å; Y223-F265 HydrophobicContact CD2-CE2 4.1Å; Y223-F265 AromaticContact CD2-CG 3.63Å; Y223-F265 HydrophobicContact CD2-CG 3.63Å; Y223-F265 HydrophobicContact CD2-CZ 4.36Å; Y223-F265 HydrophobicContact CE2-CB 4.25Å; Y223-F265 HydrophobicContact CE2-CD1 4.5Å; Y223-F265 HydrophobicContact CE2-CG 4.21Å; Y223-F265 HydrophobicContact CG-CD2 4.34Å; Y223-F265 HydrophobicContact CG-CE2 4.44Å |
| 224 | Y | 88.8 | Confident | 86.7 | Confident | 72 Ų | 72 | 75.2 Ų | 75.2 | 28% | 0.282 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -73.6 | -2.2 | 176.8 | -64.9 | -98.1 | 0 | 0 | 0 | 114.2 | V214 P215 R217 P230 | V214-Y224 HydrophobicContact CG1-CE1 4.44Å; V214-Y224 VanDerWaalsContact CG1-OH 3.22Å; V214-Y224 WeakPolarHBondContact CG1-OH 3.42Å; P215-Y224 VanDerWaalsContact O-CE2 3.24Å; P215-Y224 WeakPolarHBondContact O-CE2 3.5Å; P215-Y224 PolarHBondContact O-OH 2.97Å; R217-Y224 HydrophobicContact CB-CD2 4Å; R217-Y224 HydrophobicContact CB-CE1 4.29Å; R217-Y224 HydrophobicContact CB-CE2 3.66Å; R217-Y224 HydrophobicContact CB-CG 4.47Å; R217-Y224 HydrophobicContact CG-CD1 4.19Å; R217-Y224 HydrophobicContact CG-CD2 3.83Å; R217-Y224 HydrophobicContact CG-CE1 4.31Å; R217-Y224 HydrophobicContact CG-CE2 4.02Å; R217-Y224 HydrophobicContact CG-CG 3.93Å; Y224-P230 HydrophobicContact CD1-CG 4.5Å; Y224-P230 HydrophobicContact CE1-CB 4.47Å; Y224-P230 HydrophobicContact CE1-CG 4.18Å |
| 225 | R | 84.4 | Confident | 86.8 | Confident | 165 Ų | 165 | 76.9 Ų | 76.9 | 62% | 0.623 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -94.9 | -23.4 | 168.1 | -82.7 | -179.7 | -84.6 | 139.2 | -4 | 112.9 | P221 D222 Y223 | P221-R225 PolarHBondContact O-NE 3.5Å; D222-R225 VanDerWaalsContact CG-CZ 3.49Å; D222-R225 PolarHBondContact O-N 2.82Å; D222-R225 VanDerWaalsContact O-N 3.17Å; D222-R225 IonicContact OD1-CZ 3.77Å; D222-R225 IonicContact OD1-NH1 3.37Å; D222-R225 PolarHBondContact OD1-NH1 2.71Å; D222-R225 IonicContact OD1-NH2 3.57Å; D222-R225 PolarHBondContact OD1-NH2 2.93Å; D222-R225 IonicContact OD2-CZ 3.11Å; D222-R225 IonicContact OD2-NH1 2.87Å; D222-R225 IonicContact OD2-NH2 3.01Å; D222-R225 PolarHBondContact OD2-NH2 2.99Å; Y223-R225 PolarHBondContact O-N 3.11Å |
| 226 | M | 85.1 | Confident | 87.3 | Confident | 105 Ų | 105 | 75 Ų | 75 | 52% | 0.517 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -103.3 | -27 | 178.2 | -72.6 | -174.2 | -85.3 | 0 | 0 | 113.9 | D222 Y223 F265 | D222-M226 HydrophobicContact CB-CE 4.27Å; D222-M226 PolarHBondContact O-N 2.66Å; D222-M226 VanDerWaalsContact O-N 3.14Å; Y223-M226 PolarHBondContact O-N 2.77Å; Y223-M226 VanDerWaalsContact O-N 3.12Å; M226-F265 HydrophobicContact CE-CD2 3.58Å; M226-F265 HydrophobicContact CE-CE2 3.5Å; M226-F265 VanDerWaalsContact CE-CE2 3.5Å |
| 227 | I | 90.7 | Very high | 87.9 | Confident | 5 Ų | 5 | 72.6 Ų | 72.6 | 3% | 0.026 | 34% | 0.336 | C | S | . | . | trans | -108.2 | 112.8 | -177.3 | -54.6 | -53.3 | 0 | 0 | 0 | 109.4 | Y223 P230 N261 M264 F265 | Y223-I227 HydrophobicContact CD1-CB 4.33Å; Y223-I227 HydrophobicContact CD1-CG1 4.34Å; Y223-I227 HydrophobicContact CD2-CG1 4.04Å; Y223-I227 HydrophobicContact CE1-CB 4.06Å; Y223-I227 HydrophobicContact CE1-CG1 4.13Å; Y223-I227 HydrophobicContact CE1-CG2 4.14Å; Y223-I227 HydrophobicContact CE2-CG1 3.82Å; Y223-I227 HydrophobicContact CG-CG1 4.29Å; Y223-I227 WeakPolarHBondContact O-CB 3.42Å; Y223-I227 PolarHBondContact O-N 2.84Å; I227-P230 HydrophobicContact CG2-CB 4.47Å; I227-N261 HydrophobicContact CD1-CB 4.13Å; I227-N261 HydrophobicContact CG2-CB 3.99Å; I227-N261 VanDerWaalsContact CG2-CG 3.48Å; I227-M264 HydrophobicContact CD1-CB 3.97Å; I227-M264 HydrophobicContact CD1-CE 3.84Å; I227-F265 HydrophobicContact CD1-CB 4.29Å; I227-F265 HydrophobicContact CG1-CB 4.43Å | ||
| 228 | Q | 85.3 | Confident | 88.2 | Confident | 148 Ų | 148 | 69.1 Ų | 69.1 | 69% | 0.692 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -76.6 | -44.4 | -179.9 | -64.4 | -172 | 0.5 | 0 | 0 | 112.2 | P230 | Q228-P230 VanDerWaalsContact C-CD 3.44Å; Q228-P230 WeakPolarHBondContact O-CD 3.49Å |
| 229 | D | 87.8 | Confident | 89 | Confident | 100 Ų | 100 | 63.8 Ų | 63.8 | 54% | 0.535 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -113.8 | 76.4 | -174.9 | -58.3 | -69.1 | 0 | 0 | 0 | 110.7 | I231 L257 N261 | D229-I231 PolarHBondContact O-N 2.83Å; D229-L257 HydrophobicContact CB-CD1 4.43Å; D229-L257 HydrophobicContact CB-CD2 4.16Å; D229-N261 PolarHBondContact O-ND2 2.77Å |
| 230 | P | 91.7 | Very high | 89.6 | Confident | 42 Ų | 42 | 57.4 Ų | 57.4 | 27% | 0.273 | 26% | 0.263 | S | S | . | . | trans | -65.3 | 133.8 | 178.4 | 27.8 | -35 | 0 | 0 | 0 | 111.2 | V214 Y223 Y224 I227 Q228 | V214-P230 HydrophobicContact CG1-CB 3.8Å; V214-P230 HydrophobicContact CG2-CB 4.19Å; Y223-P230 HydrophobicContact CE1-CB 4.15Å; Y224-P230 HydrophobicContact CD1-CG 4.5Å; Y224-P230 HydrophobicContact CE1-CB 4.47Å; Y224-P230 HydrophobicContact CE1-CG 4.18Å; I227-P230 HydrophobicContact CG2-CB 4.47Å; Q228-P230 VanDerWaalsContact C-CD 3.44Å; Q228-P230 WeakPolarHBondContact O-CD 3.49Å | ||
| 231 | I | 93.3 | Very high | 89.8 | Confident | 10 Ų | 10 | 52.2 Ų | 52.2 | 5% | 0.051 | 25% | 0.247 | C | C | . | . | trans | -144.5 | 148.7 | 178.7 | -169.5 | 166.7 | 0 | 0 | 0 | 110.1 | D229 I236 D254 L257 L258 | D229-I231 PolarHBondContact O-N 2.83Å; I231-I236 HydrophobicContact CD1-CD1 4.14Å; I231-I236 HydrophobicContact CD1-CG1 3.84Å; I231-I236 HydrophobicContact CG1-CD1 4.3Å; I231-I236 HydrophobicContact CG1-CG1 4.08Å; I231-D254 HydrophobicContact CD1-CB 3.71Å; I231-L257 HydrophobicContact CB-CD2 4.41Å; I231-L257 HydrophobicContact CD1-CD2 4.5Å; I231-L257 HydrophobicContact CG2-CB 4.25Å; I231-L257 HydrophobicContact CG2-CD2 3.95Å; I231-L257 HydrophobicContact CG2-CG 3.8Å; I231-L258 HydrophobicContact CG2-CB 4.05Å; I231-L258 HydrophobicContact CG2-CD1 4.45Å; I231-L258 VanDerWaalsContact O-CD1 3.32Å; I231-L258 WeakPolarHBondContact O-CD1 3.48Å | ||
| 232 | D | 93.9 | Very high | 89.7 | Confident | 18 Ų | 18 | 53.5 Ų | 53.5 | 10% | 0.096 | 25% | 0.251 | C | S | . | . | trans | -134.8 | 168.7 | 174.8 | 65.5 | 39.9 | 0 | 0 | 0 | 112.7 | F213 V214 H234 Q235 I236 | F213-D232 VanDerWaalsContact C-CB 3.49Å; F213-D232 VanDerWaalsContact CA-OD2 3.27Å; F213-D232 WeakPolarHBondContact CA-OD2 3.31Å; V214-D232 HydrophobicContact CG2-CB 3.82Å; V214-D232 WeakPolarHBondContact CG2-OD2 2.99Å; V214-D232 PolarHBondContact N-OD2 3.08Å; D232-H234 PolarHBondContact O-N 3.24Å; D232-H234 WeakPolarHBondContact OD1-CA 3.4Å; D232-H234 WeakPolarHBondContact OD1-CB 3.31Å; D232-H234 PolarHBondContact OD1-N 3.38Å; D232-Q235 PolarHBondContact O-N 3.23Å; D232-Q235 WeakPolarHBondContact OD1-CB 3.41Å; D232-Q235 PolarHBondContact OD1-N 2.98Å; D232-I236 WeakPolarHBondContact O-CG1 3.27Å; D232-I236 PolarHBondContact O-N 3.01Å | ||
| 233 | L | 95.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.4 | -25.6 | -179.7 | -70.5 | 168.9 | 0 | 0 | 0 | 112.9 | L193 V196 L197 C208 F211 I236 A237 L255 L258 L313 | L193-L233 HydrophobicContact CD1-CD2 4.06Å; V196-L233 HydrophobicContact CG1-CD1 4.4Å; V196-L233 HydrophobicContact CG1-CD2 4.05Å; L197-L233 HydrophobicContact CD2-CB 4.39Å; L197-L233 HydrophobicContact CD2-CD1 3.93Å; C208-L233 HydrophobicContact CB-CD1 3.7Å; F211-L233 HydrophobicContact CB-CD1 3.66Å; F211-L233 HydrophobicContact CB-CG 4.07Å; F211-L233 WeakPolarHBondContact O-CB 3.3Å; F211-L233 WeakPolarHBondContact O-CG 3.3Å; F211-L233 PolarHBondContact O-N 2.88Å; L233-I236 HydrophobicContact CD2-CD1 4.38Å; L233-I236 PolarHBondContact O-N 2.98Å; L233-A237 WeakPolarHBondContact O-CB 3.33Å; L233-A237 PolarHBondContact O-N 3.48Å; L233-L255 HydrophobicContact CD2-CD2 3.72Å; L233-L258 HydrophobicContact CD2-CD2 3.53Å; L233-L258 HydrophobicContact CG-CD2 3.72Å; L233-L313 HydrophobicContact CB-CD2 3.86Å; L233-L313 WeakPolarHBondContact O-CD2 3.14Å |
| 234 | H | 93.1 | Very high | 89.6 | Confident | 19 Ų | 19 | 57.9 Ų | 57.9 | 9% | 0.088 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -72.8 | -40.4 | 176 | 171.1 | -111 | 0 | 0 | 0 | 111.8 | K212 F213 D232 I236 A237 R238 L313 A317 | K212-H234 WeakPolarHBondContact O-CB 3.3Å; K212-H234 PolarHBondContact O-N 2.93Å; F213-H234 HydrophobicContact CD1-CB 4Å; F213-H234 HydrophobicContact CE1-CB 3.77Å; F213-H234 AromaticContact CE1-CG 3.99Å; D232-H234 PolarHBondContact O-N 3.24Å; D232-H234 WeakPolarHBondContact OD1-CA 3.4Å; D232-H234 WeakPolarHBondContact OD1-CB 3.31Å; D232-H234 PolarHBondContact OD1-N 3.38Å; H234-I236 VanDerWaalsContact C-N 3.29Å; H234-I236 PolarHBondContact O-N 3.44Å; H234-A237 WeakPolarHBondContact O-CB 3.37Å; H234-A237 PolarHBondContact O-N 2.99Å; H234-R238 PolarHBondContact CE1-NH2 3.49Å; H234-R238 VanDerWaalsContact CE1-NH2 3.33Å; H234-R238 WeakPolarHBondContact O-CB 3.33Å; H234-R238 PolarHBondContact O-N 2.77Å; H234-L313 HydrophobicContact CB-CD1 4.45Å; H234-L313 HydrophobicContact CB-CG 4.28Å; H234-A317 WeakPolarHBondContact CE1-CB 3.23Å; H234-A317 VanDerWaalsContact NE2-CB 3.25Å; H234-A317 WeakPolarHBondContact NE2-CB 3.46Å |
| 235 | Q | 91.5 | Very high | 89.6 | Confident | 67 Ų | 67 | 55.1 Ų | 55.1 | 31% | 0.313 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.1 | -35.7 | 171.7 | -174.4 | 174.7 | 19.3 | 0 | 0 | 111.4 | D232 R238 K239 | D232-Q235 PolarHBondContact O-N 3.23Å; D232-Q235 WeakPolarHBondContact OD1-CB 3.41Å; D232-Q235 PolarHBondContact OD1-N 2.98Å; Q235-R238 PolarHBondContact O-N 3.06Å; Q235-K239 WeakPolarHBondContact O-CB 3.46Å; Q235-K239 WeakPolarHBondContact O-CG 3.47Å; Q235-K239 PolarHBondContact O-N 3.27Å |
| 236 | I | 94.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.8 | -44.1 | 171.1 | -69.1 | 171.7 | 0 | 0 | 0 | 111.1 | L193 I231 D232 L233 H234 R238 K239 L240 Y245 I251 D254 L255 L258 | L193-I236 HydrophobicContact CD1-CG2 3.86Å; L193-I236 HydrophobicContact CD2-CG2 4.27Å; I231-I236 HydrophobicContact CD1-CD1 4.14Å; I231-I236 HydrophobicContact CD1-CG1 3.84Å; I231-I236 HydrophobicContact CG1-CD1 4.3Å; I231-I236 HydrophobicContact CG1-CG1 4.08Å; D232-I236 WeakPolarHBondContact O-CG1 3.27Å; D232-I236 PolarHBondContact O-N 3.01Å; L233-I236 HydrophobicContact CD2-CD1 4.38Å; L233-I236 PolarHBondContact O-N 2.98Å; H234-I236 VanDerWaalsContact C-N 3.29Å; H234-I236 PolarHBondContact O-N 3.44Å; I236-R238 VanDerWaalsContact C-N 3.28Å; I236-R238 PolarHBondContact O-N 2.72Å; I236-K239 PolarHBondContact O-N 3.36Å; I236-L240 WeakPolarHBondContact O-CB 3.26Å; I236-L240 PolarHBondContact O-N 3.21Å; I236-Y245 WeakPolarHBondContact CA-OH 3.27Å; I236-Y245 HydrophobicContact CG2-CE2 4.35Å; I236-Y245 WeakPolarHBondContact CG2-OH 3.25Å; I236-Y245 WeakPolarHBondContact O-CE2 3.33Å; I236-I251 HydrophobicContact CG2-CD1 4.41Å; I236-I251 HydrophobicContact CG2-CG1 4.27Å; I236-D254 HydrophobicContact CD1-CB 3.94Å; I236-D254 HydrophobicContact CG1-CB 3.91Å; I236-L255 HydrophobicContact CD1-CD2 3.92Å; I236-L255 HydrophobicContact CD1-CG 4.25Å; I236-L258 HydrophobicContact CD1-CB 4.48Å; I236-L258 HydrophobicContact CD1-CD2 4.21Å |
| 237 | A | 93.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.9 | -36.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L193 L233 H234 L240 S241 V310 L313 L314 | L193-A237 HydrophobicContact CD2-CB 3.91Å; L233-A237 WeakPolarHBondContact O-CB 3.33Å; L233-A237 PolarHBondContact O-N 3.48Å; H234-A237 WeakPolarHBondContact O-CB 3.37Å; H234-A237 PolarHBondContact O-N 2.99Å; A237-L240 WeakPolarHBondContact O-CB 3.5Å; A237-L240 PolarHBondContact O-N 2.91Å; A237-S241 PolarHBondContact O-N 3.17Å; A237-V310 HydrophobicContact CB-CG1 4.23Å; A237-L313 HydrophobicContact CB-CD2 4.15Å; A237-L314 HydrophobicContact CB-CD2 3.86Å; A237-L314 HydrophobicContact CB-CG 4Å |
| 238 | R | 90.7 | Very high | 88.9 | Confident | 107 Ų | 107 | 49.6 Ų | 49.6 | 40% | 0.404 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -68 | -49.2 | 175.4 | -156.7 | -163.1 | -61.7 | 115.4 | -8.1 | 111.5 | H234 Q235 I236 L240 S241 D242 L314 | H234-R238 PolarHBondContact CE1-NH2 3.49Å; H234-R238 VanDerWaalsContact CE1-NH2 3.33Å; H234-R238 WeakPolarHBondContact O-CB 3.33Å; H234-R238 PolarHBondContact O-N 2.77Å; Q235-R238 PolarHBondContact O-N 3.06Å; I236-R238 VanDerWaalsContact C-N 3.28Å; I236-R238 PolarHBondContact O-N 2.72Å; R238-L240 PolarHBondContact O-N 3.15Å; R238-L240 VanDerWaalsContact O-N 3.16Å; R238-S241 WeakPolarHBondContact CA-OG 3.44Å; R238-S241 PolarHBondContact O-N 2.89Å; R238-S241 VanDerWaalsContact O-N 3.07Å; R238-S241 PolarHBondContact O-OG 3.1Å; R238-D242 VanDerWaalsContact O-CB 3.3Å; R238-D242 WeakPolarHBondContact O-CB 3.29Å; R238-D242 PolarHBondContact O-N 3.14Å; R238-L314 HydrophobicContact CB-CD2 4.37Å |
| 239 | K | 93 | Very high | 89 | Confident | 59 Ų | 59 | 45.8 Ų | 45.8 | 26% | 0.257 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -57.3 | -30.4 | 172.6 | -76 | 178.2 | 69.4 | 178.7 | 0 | 112.3 | Q235 I236 N243 V244 Y245 D254 | Q235-K239 WeakPolarHBondContact O-CB 3.46Å; Q235-K239 WeakPolarHBondContact O-CG 3.47Å; Q235-K239 PolarHBondContact O-N 3.27Å; I236-K239 PolarHBondContact O-N 3.36Å; K239-N243 PolarHBondContact O-N 2.74Å; K239-V244 HydrophobicContact CB-CB 4.06Å; K239-V244 HydrophobicContact CB-CG2 4.28Å; K239-V244 HydrophobicContact CG-CB 4.34Å; K239-V244 HydrophobicContact CG-CG1 4.47Å; K239-V244 HydrophobicContact CG-CG2 4.32Å; K239-V244 VanDerWaalsContact O-CB 3.31Å; K239-V244 WeakPolarHBondContact O-CB 3.22Å; K239-V244 PolarHBondContact O-N 2.57Å; K239-Y245 HydrophobicContact CB-CE1 4.19Å; K239-Y245 HydrophobicContact CB-CE2 3.75Å; K239-Y245 WeakPolarHBondContact CB-OH 3.47Å; K239-D254 WeakPolarHBondContact CD-OD2 3.37Å; K239-D254 WeakPolarHBondContact CE-OD2 3.14Å; K239-D254 IonicContact NZ-OD1 2.65Å; K239-D254 PolarHBondContact NZ-OD1 3.25Å; K239-D254 IonicContact NZ-OD2 2.72Å; K239-D254 PolarHBondContact NZ-OD2 2.81Å |
| 240 | L | 91.2 | Very high | 89.1 | Confident | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -72.6 | -49.3 | 171.4 | -172.1 | 161.9 | 0 | 0 | 0 | 112.3 | R186 L189 E190 L193 I236 A237 R238 D242 N243 Y245 I251 V310 | R186-L240 HydrophobicContact CG-CD2 4.12Å; L189-L240 HydrophobicContact CB-CD1 3.82Å; L189-L240 HydrophobicContact CB-CG 4.19Å; E190-L240 HydrophobicContact CG-CD1 4.3Å; E190-L240 HydrophobicContact CG-CD2 3.74Å; L193-L240 HydrophobicContact CB-CD1 4.17Å; L193-L240 HydrophobicContact CD2-CD1 3.87Å; I236-L240 WeakPolarHBondContact O-CB 3.26Å; I236-L240 PolarHBondContact O-N 3.21Å; A237-L240 WeakPolarHBondContact O-CB 3.5Å; A237-L240 PolarHBondContact O-N 2.91Å; R238-L240 PolarHBondContact O-N 3.15Å; R238-L240 VanDerWaalsContact O-N 3.16Å; L240-D242 PolarHBondContact O-N 3.26Å; L240-N243 PolarHBondContact O-N 2.91Å; L240-N243 VanDerWaalsContact O-N 3.12Å; L240-Y245 HydrophobicContact CB-CD2 4.08Å; L240-Y245 HydrophobicContact CB-CE2 4.02Å; L240-I251 HydrophobicContact CD1-CD1 4.12Å; L240-V310 HydrophobicContact CD2-CG1 4.49Å |
| 241 | S | 85.7 | Confident | 89.1 | Confident | 24 Ų | 24 | 41.4 Ų | 41.4 | 17% | 0.168 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.6 | -36.2 | 179.5 | 58.7 | 0 | 0 | 0 | 0 | 112.5 | A237 R238 N243 | A237-S241 PolarHBondContact O-N 3.17Å; R238-S241 WeakPolarHBondContact CA-OG 3.44Å; R238-S241 PolarHBondContact O-N 2.89Å; R238-S241 VanDerWaalsContact O-N 3.07Å; R238-S241 PolarHBondContact O-OG 3.1Å; S241-N243 PolarHBondContact O-N 2.89Å; S241-N243 PolarHBondContact O-ND2 3.43Å |
| 242 | D | 84.5 | Confident | 89.1 | Confident | 85 Ų | 85 | 42.9 Ų | 42.9 | 46% | 0.455 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 4.9 | -175.8 | -52.1 | -3.4 | 0 | 0 | 0 | 111.4 | R238 L240 V244 | R238-D242 VanDerWaalsContact O-CB 3.3Å; R238-D242 WeakPolarHBondContact O-CB 3.29Å; R238-D242 PolarHBondContact O-N 3.14Å; L240-D242 PolarHBondContact O-N 3.26Å; D242-V244 VanDerWaalsContact C-N 3.3Å; D242-V244 HydrophobicContact CB-CG2 4.11Å; D242-V244 PolarHBondContact O-N 3.45Å |
| 243 | N | 82.9 | Confident | 88.9 | Confident | 108 Ų | 108 | 45.1 Ų | 45.1 | 58% | 0.578 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 30.9 | 177.9 | -48.2 | -82.2 | 0 | 0 | 0 | 115 | K239 L240 S241 Y245 | K239-N243 PolarHBondContact O-N 2.74Å; L240-N243 PolarHBondContact O-N 2.91Å; L240-N243 VanDerWaalsContact O-N 3.12Å; S241-N243 PolarHBondContact O-N 2.89Å; S241-N243 PolarHBondContact O-ND2 3.43Å; N243-Y245 VanDerWaalsContact C-N 3.32Å; N243-Y245 PolarHBondContact O-N 3.4Å |
| 244 | V | 85.3 | Confident | 88.9 | Confident | 80 Ų | 80 | 45.9 Ų | 45.9 | 49% | 0.485 | 23% | 0.233 | S | C | . | . | trans | -69.1 | -29.3 | -179.6 | -176.8 | 0 | 0 | 0 | 0 | 112.2 | K239 D242 | K239-V244 HydrophobicContact CB-CB 4.06Å; K239-V244 HydrophobicContact CB-CG2 4.28Å; K239-V244 HydrophobicContact CG-CB 4.34Å; K239-V244 HydrophobicContact CG-CG1 4.47Å; K239-V244 HydrophobicContact CG-CG2 4.32Å; K239-V244 VanDerWaalsContact O-CB 3.31Å; K239-V244 WeakPolarHBondContact O-CB 3.22Å; K239-V244 PolarHBondContact O-N 2.57Å; D242-V244 VanDerWaalsContact C-N 3.3Å; D242-V244 HydrophobicContact CB-CG2 4.11Å; D242-V244 PolarHBondContact O-N 3.45Å | ||
| 245 | Y | 88.1 | Confident | 89.1 | Confident | 13 Ų | 13 | 45.1 Ų | 45.1 | 5% | 0.051 | 23% | 0.229 | C | C | . | . | trans | -82.6 | 117.6 | 175.9 | -53.5 | -55.6 | 0 | 0 | 0 | 111 | I236 K239 L240 N243 D250 I251 D254 | I236-Y245 WeakPolarHBondContact CA-OH 3.27Å; I236-Y245 HydrophobicContact CG2-CE2 4.35Å; I236-Y245 WeakPolarHBondContact CG2-OH 3.25Å; I236-Y245 WeakPolarHBondContact O-CE2 3.33Å; K239-Y245 HydrophobicContact CB-CE1 4.19Å; K239-Y245 HydrophobicContact CB-CE2 3.75Å; K239-Y245 WeakPolarHBondContact CB-OH 3.47Å; L240-Y245 HydrophobicContact CB-CD2 4.08Å; L240-Y245 HydrophobicContact CB-CE2 4.02Å; N243-Y245 VanDerWaalsContact C-N 3.32Å; N243-Y245 PolarHBondContact O-N 3.4Å; Y245-D250 HydrophobicContact CD1-CB 3.71Å; Y245-D250 HydrophobicContact CG-CB 4.39Å; Y245-I251 HydrophobicContact CD1-CB 4.07Å; Y245-I251 HydrophobicContact CD2-CB 3.91Å; Y245-I251 HydrophobicContact CD2-CD1 4.08Å; Y245-I251 HydrophobicContact CD2-CG1 4.16Å; Y245-I251 HydrophobicContact CE1-CB 4.18Å; Y245-I251 HydrophobicContact CE2-CB 4.04Å; Y245-I251 HydrophobicContact CE2-CD1 3.96Å; Y245-I251 HydrophobicContact CE2-CG1 3.88Å; Y245-I251 HydrophobicContact CG-CB 3.93Å; Y245-D254 HydrophobicContact CE1-CB 4.37Å; Y245-D254 WeakPolarHBondContact CE1-OD2 3.46Å; Y245-D254 PolarHBondContact OH-OD2 3.39Å | ||
| 246 | K | 76.4 | Confident | 89.1 | Confident | 148 Ų | 148 | 44.1 Ų | 44.1 | 64% | 0.643 | 23% | 0.226 | S | C | * | . | trans | -80 | -39.7 | 171.7 | -58.9 | -178.8 | -179 | -177.5 | 0 | 110.7 | H183 V184 D250 | H183-K246 WeakPolarHBondContact CA-O 3.3Å; V184-K246 PolarHBondContact N-O 2.84Å; K246-D250 WeakPolarHBondContact CA-OD2 3.48Å; K246-D250 WeakPolarHBondContact CB-OD2 3.43Å; K246-D250 PolarHBondContact N-OD2 3.03Å | ||
| 247 | S | 83.2 | Confident | 89.2 | Confident | 5 Ų | 5 | 46.5 Ų | 46.5 | 4% | 0.035 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -130.4 | 168.7 | -171.6 | 96.8 | 0 | 0 | 0 | 0 | 115 | D182 N249 D250 | D182-S247 WeakPolarHBondContact O-CA 3.48Å; D182-S247 WeakPolarHBondContact O-CB 3.44Å; S247-N249 PolarHBondContact O-N 3.3Å; S247-N249 WeakPolarHBondContact OG-CB 3.25Å; S247-N249 PolarHBondContact OG-N 3.29Å; S247-N249 PolarHBondContact OG-ND2 3.4Å; S247-D250 WeakPolarHBondContact CB-OD1 3.29Å; S247-D250 PolarHBondContact N-OD2 2.74Å; S247-D250 PolarHBondContact O-N 2.75Å; S247-D250 PolarHBondContact OG-OD1 3.27Å |
| 248 | L | 86.9 | Confident | 89.3 | Confident | 6 Ų | 6 | 46.9 Ų | 46.9 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.3 | -12.3 | 171.2 | -93.5 | 170.6 | 0 | 0 | 0 | 113.8 | V184 V188 L189 L192 I251 E252 K287 L290 L291 | V184-L248 HydrophobicContact CG1-CG 4.1Å; V184-L248 HydrophobicContact CG2-CB 4.19Å; V184-L248 HydrophobicContact CG2-CD1 4.3Å; V184-L248 HydrophobicContact CG2-CG 3.93Å; V188-L248 HydrophobicContact CG1-CD1 4.11Å; V188-L248 HydrophobicContact CG1-CD2 4.49Å; V188-L248 HydrophobicContact CG1-CG 4.44Å; L189-L248 HydrophobicContact CD2-CD2 4.5Å; L192-L248 HydrophobicContact CB-CD2 4.45Å; L192-L248 HydrophobicContact CD2-CD2 3.75Å; L248-I251 HydrophobicContact CD2-CG2 4.49Å; L248-E252 WeakPolarHBondContact O-CB 3.05Å; L248-K287 HydrophobicContact CB-CG 4.45Å; L248-L290 HydrophobicContact CD1-CB 3.96Å; L248-L290 HydrophobicContact CD2-CD1 4.08Å; L248-L291 HydrophobicContact CD1-CD2 4.05Å; L248-L291 HydrophobicContact CD1-CG 4.02Å |
| 249 | N | 86.7 | Confident | 89.4 | Confident | 68 Ų | 68 | 41.8 Ų | 41.8 | 36% | 0.364 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -79.7 | -36.1 | 174.2 | -50.4 | -64.2 | 0 | 0 | 0 | 111 | S247 E252 S253 K287 | S247-N249 PolarHBondContact O-N 3.3Å; S247-N249 WeakPolarHBondContact OG-CB 3.25Å; S247-N249 PolarHBondContact OG-N 3.29Å; S247-N249 PolarHBondContact OG-ND2 3.4Å; N249-E252 CarbonylContact O-C 3.52Å; N249-E252 WeakPolarHBondContact O-CB 3.39Å; N249-E252 PolarHBondContact O-N 3.34Å; N249-S253 PolarHBondContact O-N 2.72Å; N249-K287 WeakPolarHBondContact OD1-CE 3.45Å; N249-K287 PolarHBondContact OD1-NZ 3.45Å |
| 250 | D | 88.9 | Confident | 89.4 | Confident | 50 Ų | 50 | 43.8 Ų | 43.8 | 27% | 0.267 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -68 | -48.2 | -170.7 | -41.8 | 1.8 | 0 | 0 | 0 | 110.3 | Y245 K246 S247 E252 S253 D254 | Y245-D250 HydrophobicContact CD1-CB 3.71Å; Y245-D250 HydrophobicContact CG-CB 4.39Å; K246-D250 WeakPolarHBondContact CA-OD2 3.48Å; K246-D250 WeakPolarHBondContact CB-OD2 3.43Å; K246-D250 PolarHBondContact N-OD2 3.03Å; S247-D250 WeakPolarHBondContact CB-OD1 3.29Å; S247-D250 PolarHBondContact N-OD2 2.74Å; S247-D250 PolarHBondContact O-N 2.75Å; S247-D250 PolarHBondContact OG-OD1 3.27Å; D250-E252 VanDerWaalsContact C-N 3.33Å; D250-S253 VanDerWaalsContact O-CB 3.31Å; D250-S253 WeakPolarHBondContact O-CB 3.29Å; D250-S253 PolarHBondContact O-N 3.22Å; D250-D254 PolarHBondContact O-N 3.4Å |
| 251 | I | 93.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.7 | -30.2 | 173.9 | -171.5 | 167.1 | 0 | 0 | 0 | 112.3 | L189 L192 L193 I236 L240 Y245 L248 S253 L255 | L189-I251 HydrophobicContact CB-CD1 4.5Å; L189-I251 HydrophobicContact CD2-CG2 3.8Å; L192-I251 HydrophobicContact CD2-CG2 3.75Å; L193-I251 HydrophobicContact CB-CD1 4.42Å; I236-I251 HydrophobicContact CG2-CD1 4.41Å; I236-I251 HydrophobicContact CG2-CG1 4.27Å; L240-I251 HydrophobicContact CD1-CD1 4.12Å; Y245-I251 HydrophobicContact CD1-CB 4.07Å; Y245-I251 HydrophobicContact CD2-CB 3.91Å; Y245-I251 HydrophobicContact CD2-CD1 4.08Å; Y245-I251 HydrophobicContact CD2-CG1 4.16Å; Y245-I251 HydrophobicContact CE1-CB 4.18Å; Y245-I251 HydrophobicContact CE2-CB 4.04Å; Y245-I251 HydrophobicContact CE2-CD1 3.96Å; Y245-I251 HydrophobicContact CE2-CG1 3.88Å; Y245-I251 HydrophobicContact CG-CB 3.93Å; L248-I251 HydrophobicContact CD2-CG2 4.49Å; I251-S253 VanDerWaalsContact C-N 3.33Å; I251-L255 HydrophobicContact CG1-CD1 4.01Å; I251-L255 HydrophobicContact CG1-CG 4.49Å; I251-L255 WeakPolarHBondContact O-CB 3.44Å; I251-L255 WeakPolarHBondContact O-CD1 3.39Å; I251-L255 VanDerWaalsContact O-CG 3.23Å; I251-L255 WeakPolarHBondContact O-CG 3.42Å; I251-L255 PolarHBondContact O-N 2.75Å |
| 252 | E | 92.4 | Very high | 89.8 | Confident | 41 Ų | 41 | 43.1 Ų | 43.1 | 19% | 0.192 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.2 | -32.8 | 171.5 | 176.1 | 179.5 | -114 | 0 | 0 | 111.6 | L248 N249 D250 N256 V283 K287 | L248-E252 WeakPolarHBondContact O-CB 3.05Å; N249-E252 CarbonylContact O-C 3.52Å; N249-E252 WeakPolarHBondContact O-CB 3.39Å; N249-E252 PolarHBondContact O-N 3.34Å; D250-E252 VanDerWaalsContact C-N 3.33Å; E252-N256 WeakPolarHBondContact CG-ND2 3.26Å; E252-N256 WeakPolarHBondContact O-CB 3.43Å; E252-N256 PolarHBondContact O-N 2.82Å; E252-N256 PolarHBondContact O-ND2 3.46Å; E252-V283 HydrophobicContact CB-CG1 4.37Å; E252-V283 HydrophobicContact CG-CG1 4.08Å; E252-K287 HydrophobicContact CB-CD 4.39Å; E252-K287 VanDerWaalsContact CD-CD 3.42Å; E252-K287 HydrophobicContact CG-CD 4.45Å; E252-K287 WeakPolarHBondContact OE1-CD 3.17Å; E252-K287 IonicContact OE1-NZ 3.56Å; E252-K287 WeakPolarHBondContact OE2-CD 3.34Å; E252-K287 IonicContact OE2-NZ 3.13Å; E252-K287 PolarHBondContact OE2-NZ 3.09Å |
| 253 | S | 90.7 | Very high | 90.2 | Very high | 65 Ų | 65 | 42.9 Ų | 42.9 | 46% | 0.455 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.3 | -52.7 | 176.5 | -161.5 | 0 | 0 | 0 | 0 | 110.7 | N249 D250 I251 L255 N256 L257 | N249-S253 PolarHBondContact O-N 2.72Å; D250-S253 VanDerWaalsContact O-CB 3.31Å; D250-S253 WeakPolarHBondContact O-CB 3.29Å; D250-S253 PolarHBondContact O-N 3.22Å; I251-S253 VanDerWaalsContact C-N 3.33Å; S253-L255 PolarHBondContact O-N 3.29Å; S253-N256 PolarHBondContact O-N 3.29Å; S253-N256 VanDerWaalsContact O-N 3.13Å; S253-L257 PolarHBondContact O-N 3.28Å |
| 254 | D | 94.9 | Very high | 90.5 | Very high | 17 Ų | 17 | 42.4 Ų | 42.4 | 9% | 0.091 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.8 | -43.5 | 175.3 | -82 | 20.5 | 0 | 0 | 0 | 112.6 | I231 I236 K239 Y245 D250 N256 L257 L258 | I231-D254 HydrophobicContact CD1-CB 3.71Å; I236-D254 HydrophobicContact CD1-CB 3.94Å; I236-D254 HydrophobicContact CG1-CB 3.91Å; K239-D254 WeakPolarHBondContact CD-OD2 3.37Å; K239-D254 WeakPolarHBondContact CE-OD2 3.14Å; K239-D254 IonicContact NZ-OD1 2.65Å; K239-D254 PolarHBondContact NZ-OD1 3.25Å; K239-D254 IonicContact NZ-OD2 2.72Å; K239-D254 PolarHBondContact NZ-OD2 2.81Å; Y245-D254 HydrophobicContact CE1-CB 4.37Å; Y245-D254 WeakPolarHBondContact CE1-OD2 3.46Å; Y245-D254 PolarHBondContact OH-OD2 3.39Å; D250-D254 PolarHBondContact O-N 3.4Å; D254-N256 VanDerWaalsContact C-N 3.31Å; D254-N256 PolarHBondContact O-N 3.03Å; D254-L257 PolarHBondContact O-N 3.2Å; D254-L258 WeakPolarHBondContact O-CB 3.4Å; D254-L258 PolarHBondContact O-N 2.88Å |
| 255 | L | 95.7 | Very high | 90.8 | Very high | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.1 | -30.1 | 177 | -73.5 | 167.4 | 0 | 0 | 0 | 112.6 | L192 V196 L233 I236 I251 S253 L258 C259 V283 | L192-L255 HydrophobicContact CD2-CD1 4.26Å; V196-L255 HydrophobicContact CG2-CD1 4.43Å; V196-L255 HydrophobicContact CG2-CD2 4.4Å; L233-L255 HydrophobicContact CD2-CD2 3.72Å; I236-L255 HydrophobicContact CD1-CD2 3.92Å; I236-L255 HydrophobicContact CD1-CG 4.25Å; I251-L255 HydrophobicContact CG1-CD1 4.01Å; I251-L255 HydrophobicContact CG1-CG 4.49Å; I251-L255 WeakPolarHBondContact O-CB 3.44Å; I251-L255 WeakPolarHBondContact O-CD1 3.39Å; I251-L255 VanDerWaalsContact O-CG 3.23Å; I251-L255 WeakPolarHBondContact O-CG 3.42Å; I251-L255 PolarHBondContact O-N 2.75Å; S253-L255 PolarHBondContact O-N 3.29Å; L255-L258 HydrophobicContact CD2-CD2 4.22Å; L255-C259 PolarHBondContact O-N 3.14Å; L255-C259 PolarHBondContact O-SG 2.82Å; L255-V283 HydrophobicContact CB-CG1 4.48Å; L255-V283 HydrophobicContact CB-CG2 4.33Å; L255-V283 HydrophobicContact CD1-CG1 4.16Å; L255-V283 HydrophobicContact CD1-CG2 3.9Å |
| 256 | N | 93.5 | Very high | 90.9 | Very high | 46 Ų | 46 | 42 Ų | 42 | 25% | 0.246 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -75 | -37.8 | 170.9 | -84.2 | -77.4 | 0 | 0 | 0 | 112 | E252 S253 D254 C259 Q260 R280 | E252-N256 WeakPolarHBondContact CG-ND2 3.26Å; E252-N256 WeakPolarHBondContact O-CB 3.43Å; E252-N256 PolarHBondContact O-N 2.82Å; E252-N256 PolarHBondContact O-ND2 3.46Å; S253-N256 PolarHBondContact O-N 3.29Å; S253-N256 VanDerWaalsContact O-N 3.13Å; D254-N256 VanDerWaalsContact C-N 3.31Å; D254-N256 PolarHBondContact O-N 3.03Å; N256-C259 CarbonylContact O-C 3.56Å; N256-C259 PolarHBondContact O-N 3.17Å; N256-Q260 VanDerWaalsContact O-CB 3.25Å; N256-Q260 WeakPolarHBondContact O-CB 3.44Å; N256-Q260 PolarHBondContact O-N 2.98Å; N256-R280 WeakPolarHBondContact OD1-CD 3.3Å; N256-R280 WeakPolarHBondContact OD1-CG 3.27Å; N256-R280 PolarHBondContact OD1-NE 3.4Å |
| 257 | L | 94.6 | Very high | 91.2 | Very high | 50 Ų | 50 | 41.7 Ų | 41.7 | 26% | 0.262 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.4 | -47 | 174.2 | 178.2 | 61.7 | 0 | 0 | 0 | 110.8 | D229 I231 S253 D254 C259 Q260 N261 | D229-L257 HydrophobicContact CB-CD1 4.43Å; D229-L257 HydrophobicContact CB-CD2 4.16Å; I231-L257 HydrophobicContact CB-CD2 4.41Å; I231-L257 HydrophobicContact CD1-CD2 4.5Å; I231-L257 HydrophobicContact CG2-CB 4.25Å; I231-L257 HydrophobicContact CG2-CD2 3.95Å; I231-L257 HydrophobicContact CG2-CG 3.8Å; S253-L257 PolarHBondContact O-N 3.28Å; D254-L257 PolarHBondContact O-N 3.2Å; L257-C259 VanDerWaalsContact C-N 3.35Å; L257-C259 PolarHBondContact O-N 3.17Å; L257-Q260 PolarHBondContact O-N 3.35Å; L257-Q260 VanDerWaalsContact O-N 3.08Å; L257-N261 WeakPolarHBondContact O-CB 3.14Å; L257-N261 VanDerWaalsContact O-CG 3.26Å; L257-N261 PolarHBondContact O-N 3.09Å |
| 258 | L | 95.6 | Very high | 91.1 | Very high | 8 Ų | 8 | 46.1 Ų | 46.1 | 4% | 0.042 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -51.6 | -50.9 | 171 | 179 | 71.5 | 0 | 0 | 0 | 111.9 | F211 I231 L233 I236 D254 L255 Q260 A262 | F211-L258 HydrophobicContact CB-CD1 4.22Å; F211-L258 HydrophobicContact CB-CD2 4.23Å; F211-L258 HydrophobicContact CB-CG 4.5Å; F211-L258 HydrophobicContact CD1-CD1 3.96Å; F211-L258 HydrophobicContact CD1-CD2 4.23Å; F211-L258 HydrophobicContact CD1-CG 3.85Å; I231-L258 HydrophobicContact CG2-CB 4.05Å; I231-L258 HydrophobicContact CG2-CD1 4.45Å; I231-L258 VanDerWaalsContact O-CD1 3.32Å; I231-L258 WeakPolarHBondContact O-CD1 3.48Å; L233-L258 HydrophobicContact CD2-CD2 3.53Å; L233-L258 HydrophobicContact CG-CD2 3.72Å; I236-L258 HydrophobicContact CD1-CB 4.48Å; I236-L258 HydrophobicContact CD1-CD2 4.21Å; D254-L258 WeakPolarHBondContact O-CB 3.4Å; D254-L258 PolarHBondContact O-N 2.88Å; L255-L258 HydrophobicContact CD2-CD2 4.22Å; L258-Q260 VanDerWaalsContact C-N 3.31Å; L258-Q260 PolarHBondContact O-N 2.73Å; L258-A262 WeakPolarHBondContact O-CB 3.4Å; L258-A262 PolarHBondContact O-N 2.95Å |
| 259 | C | 94.7 | Very high | 90.9 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.007 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -70.5 | -24.7 | 178.5 | -65.9 | 0 | 0 | 0 | 0 | 113.5 | L255 N256 L257 R263 A276 R280 | L255-C259 PolarHBondContact O-N 3.14Å; L255-C259 PolarHBondContact O-SG 2.82Å; N256-C259 CarbonylContact O-C 3.56Å; N256-C259 PolarHBondContact O-N 3.17Å; L257-C259 VanDerWaalsContact C-N 3.35Å; L257-C259 PolarHBondContact O-N 3.17Å; C259-R263 WeakPolarHBondContact O-CB 3.43Å; C259-R263 WeakPolarHBondContact O-CD 3.37Å; C259-R263 WeakPolarHBondContact O-CG 3.09Å; C259-R263 PolarHBondContact O-N 3.13Å; C259-A276 HydrophobicContact CB-CB 4.19Å; C259-A276 PolarHBondContact SG-O 3.02Å; C259-R280 HydrophobicContact CB-CB 4.27Å |
| 260 | Q | 93 | Very high | 91.1 | Very high | 100 Ų | 100 | 51.3 Ų | 51.3 | 47% | 0.467 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -77.5 | -49 | 176.8 | 178.9 | 167.1 | -26.4 | 0 | 0 | 110.4 | N256 L257 L258 A262 R263 M264 | N256-Q260 VanDerWaalsContact O-CB 3.25Å; N256-Q260 WeakPolarHBondContact O-CB 3.44Å; N256-Q260 PolarHBondContact O-N 2.98Å; L257-Q260 PolarHBondContact O-N 3.35Å; L257-Q260 VanDerWaalsContact O-N 3.08Å; L258-Q260 VanDerWaalsContact C-N 3.31Å; L258-Q260 PolarHBondContact O-N 2.73Å; Q260-A262 VanDerWaalsContact C-N 3.32Å; Q260-A262 PolarHBondContact O-N 2.71Å; Q260-R263 CarbonylContact O-C 3.59Å; Q260-R263 WeakPolarHBondContact O-CA 3.28Å; Q260-R263 PolarHBondContact O-N 3.32Å; Q260-M264 HydrophobicContact CG-CE 4.05Å; Q260-M264 HydrophobicContact CG-CG 4.25Å; Q260-M264 HydrophobicContact CG-SD 3.97Å; Q260-M264 WeakPolarHBondContact O-CG 3.27Å; Q260-M264 PolarHBondContact O-N 3.2Å |
| 261 | N | 92.6 | Very high | 91.2 | Very high | 4 Ų | 4 | 53.2 Ų | 53.2 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -54.3 | -48.8 | 176.1 | -70.1 | -13.3 | 0 | 0 | 0 | 111.4 | I227 D229 L257 R263 M264 F265 | I227-N261 HydrophobicContact CD1-CB 4.13Å; I227-N261 HydrophobicContact CG2-CB 3.99Å; I227-N261 VanDerWaalsContact CG2-CG 3.48Å; D229-N261 PolarHBondContact O-ND2 2.77Å; L257-N261 WeakPolarHBondContact O-CB 3.14Å; L257-N261 VanDerWaalsContact O-CG 3.26Å; L257-N261 PolarHBondContact O-N 3.09Å; N261-R263 VanDerWaalsContact C-N 3.28Å; N261-R263 PolarHBondContact O-N 3Å; N261-M264 PolarHBondContact O-N 2.66Å; N261-M264 VanDerWaalsContact O-N 3.14Å; N261-M264 WeakPolarHBondContact OD1-CE 3.35Å; N261-F265 PolarHBondContact O-N 2.83Å |
| 262 | A | 91.6 | Very high | 91 | Very high | 8 Ų | 8 | 55.5 Ų | 55.5 | 7% | 0.066 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58 | -37.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | F211 L258 Q260 N266 I272 A276 | F211-A262 HydrophobicContact CD1-CB 4.47Å; F211-A262 HydrophobicContact CE1-CB 3.55Å; F211-A262 HydrophobicContact CZ-CB 4.23Å; L258-A262 WeakPolarHBondContact O-CB 3.4Å; L258-A262 PolarHBondContact O-N 2.95Å; Q260-A262 VanDerWaalsContact C-N 3.32Å; Q260-A262 PolarHBondContact O-N 2.71Å; A262-N266 WeakPolarHBondContact O-CB 3.26Å; A262-N266 PolarHBondContact O-N 3.16Å; A262-N266 VanDerWaalsContact O-N 3.13Å; A262-N266 PolarHBondContact O-ND2 2.83Å; A262-I272 HydrophobicContact CB-CG2 4.05Å; A262-A276 HydrophobicContact CB-CB 3.91Å |
| 263 | R | 92.4 | Very high | 91.1 | Very high | 81 Ų | 81 | 55.7 Ų | 55.7 | 31% | 0.306 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -85.7 | -7.5 | 178.8 | -69.5 | 175.6 | 64.9 | -110.1 | -6 | 114.7 | C259 Q260 N261 Y273 A276 S277 | C259-R263 WeakPolarHBondContact O-CB 3.43Å; C259-R263 WeakPolarHBondContact O-CD 3.37Å; C259-R263 WeakPolarHBondContact O-CG 3.09Å; C259-R263 PolarHBondContact O-N 3.13Å; Q260-R263 CarbonylContact O-C 3.59Å; Q260-R263 WeakPolarHBondContact O-CA 3.28Å; Q260-R263 PolarHBondContact O-N 3.32Å; N261-R263 VanDerWaalsContact C-N 3.28Å; N261-R263 PolarHBondContact O-N 3Å; R263-Y273 HydrophobicContact CB-CD2 3.84Å; R263-Y273 HydrophobicContact CB-CE2 3.65Å; R263-Y273 HydrophobicContact CG-CD1 4.28Å; R263-Y273 HydrophobicContact CG-CD2 3.72Å; R263-Y273 HydrophobicContact CG-CE1 4.33Å; R263-Y273 HydrophobicContact CG-CE2 3.81Å; R263-Y273 HydrophobicContact CG-CG 3.96Å; R263-Y273 PolarHBondContact NH2-OH 2.86Å; R263-Y273 WeakPolarHBondContact O-CE2 2.86Å; R263-A276 HydrophobicContact CG-CB 3.84Å; R263-S277 PolarHBondContact NE-OG 2.95Å |
| 264 | M | 90.6 | Very high | 91 | Very high | 97 Ų | 97 | 55.3 Ų | 55.3 | 48% | 0.478 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -92.6 | -36.6 | 170.7 | -69.6 | -172.6 | -50.6 | 0 | 0 | 111.3 | I227 Q260 N261 | I227-M264 HydrophobicContact CD1-CB 3.97Å; I227-M264 HydrophobicContact CD1-CE 3.84Å; Q260-M264 HydrophobicContact CG-CE 4.05Å; Q260-M264 HydrophobicContact CG-CG 4.25Å; Q260-M264 HydrophobicContact CG-SD 3.97Å; Q260-M264 WeakPolarHBondContact O-CG 3.27Å; Q260-M264 PolarHBondContact O-N 3.2Å; N261-M264 PolarHBondContact O-N 2.66Å; N261-M264 VanDerWaalsContact O-N 3.14Å; N261-M264 WeakPolarHBondContact OD1-CE 3.35Å |
| 265 | F | 91.4 | Very high | 91 | Very high | 46 Ų | 46 | 54.8 Ų | 54.8 | 20% | 0.202 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -83.4 | -36.8 | 179.6 | -173.2 | -100 | 0 | 0 | 0 | 114.1 | W220 D222 Y223 M226 I227 N261 | W220-F265 HydrophobicContact CE3-CE1 4.02Å; W220-F265 AromaticContact CE3-CZ 3.77Å; W220-F265 HydrophobicContact CE3-CZ 3.77Å; W220-F265 AromaticContact CZ3-CE1 3.98Å; W220-F265 HydrophobicContact CZ3-CE1 3.98Å; W220-F265 HydrophobicContact CZ3-CZ 4.01Å; D222-F265 HydrophobicContact CB-CE2 4.47Å; Y223-F265 VanDerWaalsContact CA-CE2 3.44Å; Y223-F265 HydrophobicContact CD2-CB 4.12Å; Y223-F265 AromaticContact CD2-CD1 3.91Å; Y223-F265 HydrophobicContact CD2-CD1 3.91Å; Y223-F265 AromaticContact CD2-CD2 3.72Å; Y223-F265 HydrophobicContact CD2-CD2 3.72Å; Y223-F265 HydrophobicContact CD2-CE1 4.26Å; Y223-F265 HydrophobicContact CD2-CE2 4.1Å; Y223-F265 AromaticContact CD2-CG 3.63Å; Y223-F265 HydrophobicContact CD2-CG 3.63Å; Y223-F265 HydrophobicContact CD2-CZ 4.36Å; Y223-F265 HydrophobicContact CE2-CB 4.25Å; Y223-F265 HydrophobicContact CE2-CD1 4.5Å; Y223-F265 HydrophobicContact CE2-CG 4.21Å; Y223-F265 HydrophobicContact CG-CD2 4.34Å; Y223-F265 HydrophobicContact CG-CE2 4.44Å; M226-F265 HydrophobicContact CE-CD2 3.58Å; M226-F265 HydrophobicContact CE-CE2 3.5Å; M226-F265 VanDerWaalsContact CE-CE2 3.5Å; I227-F265 HydrophobicContact CD1-CB 4.29Å; I227-F265 HydrophobicContact CG1-CB 4.43Å; N261-F265 PolarHBondContact O-N 2.83Å |
| 266 | N | 89.4 | Confident | 90.8 | Very high | 40 Ų | 40 | 54.7 Ų | 54.7 | 21% | 0.214 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -101.1 | 149.7 | -173.9 | -57.8 | -90.8 | 0 | 0 | 0 | 112.6 | A262 S270 Y273 | A262-N266 WeakPolarHBondContact O-CB 3.26Å; A262-N266 PolarHBondContact O-N 3.16Å; A262-N266 VanDerWaalsContact O-N 3.13Å; A262-N266 PolarHBondContact O-ND2 2.83Å; N266-S270 WeakPolarHBondContact CB-OG 3.38Å; N266-Y273 WeakPolarHBondContact O-CD2 3.28Å |
| 267 | E | 83.3 | Confident | 90.8 | Very high | 141 Ų | 141 | 54 Ų | 54 | 66% | 0.659 | 29% | 0.286 | S | S | * | . | trans | -65.6 | 150.1 | 178.3 | -65.6 | -166.6 | 165.2 | 0 | 0 | 113.3 | M269 S270 Y273 | E267-M269 PolarHBondContact O-N 3.31Å; E267-S270 WeakPolarHBondContact O-CB 3.24Å; E267-S270 PolarHBondContact O-N 2.93Å; E267-S270 PolarHBondContact O-OG 3.42Å; E267-Y273 VanDerWaalsContact O-CB 3.22Å; E267-Y273 WeakPolarHBondContact O-CB 3.46Å | ||
| 268 | P | 81.3 | Confident | 90.7 | Very high | 97 Ų | 97 | 53.3 Ų | 53.3 | 63% | 0.63 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -9.2 | 178.4 | -27 | 36 | 0 | 0 | 0 | 117.5 | Y273 | P268-Y273 HydrophobicContact CB-CE1 4.24Å; P268-Y273 HydrophobicContact CB-CE2 4.25Å; P268-Y273 HydrophobicContact CG-CE2 4.08Å |
| 269 | M | 81.8 | Confident | 90.6 | Very high | 153 Ų | 153 | 52.9 Ų | 52.9 | 75% | 0.754 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.6 | -0.3 | 176.5 | -56.6 | -164.3 | -56 | 0 | 0 | 113.4 | E267 | E267-M269 PolarHBondContact O-N 3.31Š|
| 270 | S | 91.6 | Very high | 90.5 | Very high | 30 Ų | 30 | 59 Ų | 59 | 21% | 0.21 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -73.4 | 152.9 | 176.8 | 66 | 0 | 0 | 0 | 0 | 112.4 | N266 E267 I272 Y273 A274 | N266-S270 WeakPolarHBondContact CB-OG 3.38Å; E267-S270 WeakPolarHBondContact O-CB 3.24Å; E267-S270 PolarHBondContact O-N 2.93Å; E267-S270 PolarHBondContact O-OG 3.42Å; S270-I272 VanDerWaalsContact C-N 3.32Å; S270-I272 PolarHBondContact O-N 2.86Å; S270-Y273 PolarHBondContact O-N 2.95Å; S270-Y273 WeakPolarHBondContact OG-CB 3.05Å; S270-Y273 PolarHBondContact OG-N 3.31Å; S270-Y273 VanDerWaalsContact OG-N 3.15Å; S270-A274 PolarHBondContact O-N 2.84Å; S270-A274 VanDerWaalsContact O-N 3.12Å |
| 271 | T | 89.7 | Confident | 90.3 | Very high | 91 Ų | 91 | 61.6 Ų | 61.6 | 56% | 0.558 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -56.6 | -46 | 172 | 46.3 | 0 | 0 | 0 | 0 | 111.3 | Y273 A274 D275 | T271-Y273 VanDerWaalsContact C-N 3.32Å; T271-Y273 PolarHBondContact O-N 2.77Å; T271-A274 CarbonylContact O-C 3.55Å; T271-A274 WeakPolarHBondContact O-CA 3.37Å; T271-A274 WeakPolarHBondContact O-CB 3.29Å; T271-A274 PolarHBondContact O-N 2.85Å; T271-D275 WeakPolarHBondContact O-CB 3.19Å; T271-D275 PolarHBondContact O-N 3Å |
| 272 | I | 91 | Very high | 90.3 | Very high | 47 Ų | 47 | 63.9 Ų | 63.9 | 24% | 0.241 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.8 | -38.5 | -179.6 | -58.1 | 175.3 | 0 | 0 | 0 | 111.7 | A210 F211 A262 S270 A276 | A210-I272 HydrophobicContact CB-CD1 4.14Å; A210-I272 HydrophobicContact CB-CG1 3.97Å; F211-I272 HydrophobicContact CE1-CG2 4.46Å; F211-I272 HydrophobicContact CZ-CG2 3.98Å; A262-I272 HydrophobicContact CB-CG2 4.05Å; S270-I272 VanDerWaalsContact C-N 3.32Å; S270-I272 PolarHBondContact O-N 2.86Å; I272-A276 VanDerWaalsContact O-CB 3.3Å; I272-A276 WeakPolarHBondContact O-CB 3.28Å; I272-A276 PolarHBondContact O-N 2.99Å |
| 273 | Y | 92.8 | Very high | 90.4 | Very high | 46 Ų | 46 | 63.6 Ų | 63.6 | 18% | 0.18 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68 | -38.5 | 174.7 | -168.3 | -74.1 | 0 | 0 | 0 | 112.2 | R263 N266 E267 P268 S270 T271 S277 | R263-Y273 HydrophobicContact CB-CD2 3.84Å; R263-Y273 HydrophobicContact CB-CE2 3.65Å; R263-Y273 HydrophobicContact CG-CD1 4.28Å; R263-Y273 HydrophobicContact CG-CD2 3.72Å; R263-Y273 HydrophobicContact CG-CE1 4.33Å; R263-Y273 HydrophobicContact CG-CE2 3.81Å; R263-Y273 HydrophobicContact CG-CG 3.96Å; R263-Y273 PolarHBondContact NH2-OH 2.86Å; R263-Y273 WeakPolarHBondContact O-CE2 2.86Å; N266-Y273 WeakPolarHBondContact O-CD2 3.28Å; E267-Y273 VanDerWaalsContact O-CB 3.22Å; E267-Y273 WeakPolarHBondContact O-CB 3.46Å; P268-Y273 HydrophobicContact CB-CE1 4.24Å; P268-Y273 HydrophobicContact CB-CE2 4.25Å; P268-Y273 HydrophobicContact CG-CE2 4.08Å; S270-Y273 PolarHBondContact O-N 2.95Å; S270-Y273 WeakPolarHBondContact OG-CB 3.05Å; S270-Y273 PolarHBondContact OG-N 3.31Å; S270-Y273 VanDerWaalsContact OG-N 3.15Å; T271-Y273 VanDerWaalsContact C-N 3.32Å; T271-Y273 PolarHBondContact O-N 2.77Å; Y273-S277 VanDerWaalsContact O-CB 3.3Å; Y273-S277 WeakPolarHBondContact O-CB 3.43Å; Y273-S277 PolarHBondContact O-N 3.46Å; Y273-S277 PolarHBondContact O-OG 2.83Å |
| 274 | A | 90.3 | Very high | 90.1 | Very high | 56 Ų | 56 | 62.2 Ų | 62.2 | 46% | 0.463 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.3 | -45.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S270 T271 S277 A278 | S270-A274 PolarHBondContact O-N 2.84Å; S270-A274 VanDerWaalsContact O-N 3.12Å; T271-A274 CarbonylContact O-C 3.55Å; T271-A274 WeakPolarHBondContact O-CA 3.37Å; T271-A274 WeakPolarHBondContact O-CB 3.29Å; T271-A274 PolarHBondContact O-N 2.85Å; A274-S277 CarbonylContact O-C 3.54Å; A274-S277 WeakPolarHBondContact O-CA 3.21Å; A274-S277 WeakPolarHBondContact O-CB 3.35Å; A274-S277 PolarHBondContact O-N 3.22Å; A274-S277 VanDerWaalsContact O-N 3.12Å; A274-A278 PolarHBondContact O-N 3.34Å |
| 275 | D | 93 | Very high | 89.9 | Confident | 6 Ų | 6 | 64 Ų | 64 | 3% | 0.032 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.3 | -47.6 | 177.8 | -63.6 | -25.3 | 0 | 0 | 0 | 111 | R205 L207 F211 T271 S277 A278 I279 | R205-D275 IonicContact CZ-OD1 2.77Å; R205-D275 IonicContact CZ-OD2 2.84Å; R205-D275 IonicContact NH1-OD1 2.81Å; R205-D275 IonicContact NH1-OD2 2.9Å; R205-D275 PolarHBondContact NH1-OD2 3.07Å; R205-D275 IonicContact NH2-OD1 3.19Å; R205-D275 PolarHBondContact NH2-OD1 2.92Å; R205-D275 IonicContact NH2-OD2 3.43Å; R205-D275 PolarHBondContact NH2-OD2 3Å; L207-D275 HydrophobicContact CD2-CB 4.41Å; L207-D275 WeakPolarHBondContact CD2-OD1 3.48Å; F211-D275 HydrophobicContact CE2-CB 3.75Å; F211-D275 HydrophobicContact CZ-CB 4.09Å; T271-D275 WeakPolarHBondContact O-CB 3.19Å; T271-D275 PolarHBondContact O-N 3Å; D275-S277 PolarHBondContact O-N 3.05Å; D275-A278 CarbonylContact O-C 3.54Å; D275-A278 WeakPolarHBondContact O-CA 3.44Å; D275-A278 WeakPolarHBondContact O-CB 3.42Å; D275-A278 PolarHBondContact O-N 3.12Å; D275-I279 WeakPolarHBondContact O-CG1 3.31Å; D275-I279 PolarHBondContact O-N 2.84Å |
| 276 | A | 93.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.8 | -36.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F211 C259 A262 R263 I272 A278 R280 | F211-A276 HydrophobicContact CE1-CB 4Å; F211-A276 HydrophobicContact CZ-CB 3.86Å; C259-A276 HydrophobicContact CB-CB 4.19Å; C259-A276 PolarHBondContact SG-O 3.02Å; A262-A276 HydrophobicContact CB-CB 3.91Å; R263-A276 HydrophobicContact CG-CB 3.84Å; I272-A276 VanDerWaalsContact O-CB 3.3Å; I272-A276 WeakPolarHBondContact O-CB 3.28Å; I272-A276 PolarHBondContact O-N 2.99Å; A276-A278 VanDerWaalsContact C-N 3.32Å; A276-R280 VanDerWaalsContact O-CB 3.29Å; A276-R280 WeakPolarHBondContact O-CB 3.49Å; A276-R280 PolarHBondContact O-N 3.06Å; A276-R280 VanDerWaalsContact O-N 3.12Å |
| 277 | S | 92 | Very high | 89.7 | Confident | 32 Ų | 32 | 62.1 Ų | 62.1 | 22% | 0.224 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -74.1 | -21.6 | 176 | -59 | 0 | 0 | 0 | 0 | 113.2 | R263 Y273 A274 D275 K281 | R263-S277 PolarHBondContact NE-OG 2.95Å; Y273-S277 VanDerWaalsContact O-CB 3.3Å; Y273-S277 WeakPolarHBondContact O-CB 3.43Å; Y273-S277 PolarHBondContact O-N 3.46Å; Y273-S277 PolarHBondContact O-OG 2.83Å; A274-S277 CarbonylContact O-C 3.54Å; A274-S277 WeakPolarHBondContact O-CA 3.21Å; A274-S277 WeakPolarHBondContact O-CB 3.35Å; A274-S277 PolarHBondContact O-N 3.22Å; A274-S277 VanDerWaalsContact O-N 3.12Å; D275-S277 PolarHBondContact O-N 3.05Å; S277-K281 WeakPolarHBondContact O-CD 3.37Å; S277-K281 WeakPolarHBondContact O-CG 3.33Å |
| 278 | A | 92.1 | Very high | 89.5 | Confident | 35 Ų | 35 | 59 Ų | 59 | 29% | 0.289 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -84.3 | -48.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L207 A274 D275 A276 R280 K281 L282 | L207-A278 HydrophobicContact CD1-CB 3.86Å; L207-A278 HydrophobicContact CD2-CB 4.49Å; A274-A278 PolarHBondContact O-N 3.34Å; D275-A278 CarbonylContact O-C 3.54Å; D275-A278 WeakPolarHBondContact O-CA 3.44Å; D275-A278 WeakPolarHBondContact O-CB 3.42Å; D275-A278 PolarHBondContact O-N 3.12Å; A276-A278 VanDerWaalsContact C-N 3.32Å; A278-R280 VanDerWaalsContact C-N 3.32Å; A278-R280 PolarHBondContact O-N 3.4Å; A278-K281 WeakPolarHBondContact O-CB 3.4Å; A278-K281 PolarHBondContact O-N 3.01Å; A278-L282 PolarHBondContact O-N 2.87Å |
| 279 | I | 94 | Very high | 89.4 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -54.5 | -47.9 | 175.6 | -67.4 | 167.2 | 0 | 0 | 0 | 110.2 | V196 L207 F211 D275 K281 L282 V283 | V196-I279 HydrophobicContact CG1-CG1 4.49Å; V196-I279 HydrophobicContact CG1-CG2 3.86Å; V196-I279 HydrophobicContact CG2-CG2 4.35Å; L207-I279 HydrophobicContact CB-CD1 4.2Å; L207-I279 HydrophobicContact CB-CG1 4.02Å; L207-I279 HydrophobicContact CD1-CG1 4.38Å; F211-I279 HydrophobicContact CD2-CD1 3.88Å; F211-I279 HydrophobicContact CE2-CD1 3.82Å; F211-I279 HydrophobicContact CG-CD1 4.31Å; F211-I279 HydrophobicContact CZ-CD1 4.18Å; D275-I279 WeakPolarHBondContact O-CG1 3.31Å; D275-I279 PolarHBondContact O-N 2.84Å; I279-K281 VanDerWaalsContact C-N 3.29Å; I279-K281 PolarHBondContact O-N 3.29Å; I279-L282 WeakPolarHBondContact O-CB 3.39Å; I279-L282 PolarHBondContact O-N 2.76Å; I279-L282 VanDerWaalsContact O-N 3.09Å; I279-V283 HydrophobicContact CG2-CG2 4.15Å; I279-V283 WeakPolarHBondContact O-CG2 3.38Å; I279-V283 PolarHBondContact O-N 3.41Å |
| 280 | R | 92.4 | Very high | 89.4 | Confident | 129 Ų | 129 | 51.6 Ų | 51.6 | 49% | 0.487 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58.7 | -35.8 | 177.2 | -178.9 | 171.1 | 173.1 | -125.1 | -2.8 | 113.8 | N256 C259 A276 A278 A284 | N256-R280 WeakPolarHBondContact OD1-CD 3.3Å; N256-R280 WeakPolarHBondContact OD1-CG 3.27Å; N256-R280 PolarHBondContact OD1-NE 3.4Å; C259-R280 HydrophobicContact CB-CB 4.27Å; A276-R280 VanDerWaalsContact O-CB 3.29Å; A276-R280 WeakPolarHBondContact O-CB 3.49Å; A276-R280 PolarHBondContact O-N 3.06Å; A276-R280 VanDerWaalsContact O-N 3.12Å; A278-R280 VanDerWaalsContact C-N 3.32Å; A278-R280 PolarHBondContact O-N 3.4Å; R280-A284 PolarHBondContact O-N 2.98Å |
| 281 | K | 90.5 | Very high | 88.6 | Confident | 154 Ų | 154 | 54.3 Ų | 54.3 | 67% | 0.67 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -71.5 | -41.6 | 174.2 | -70.6 | 170.5 | -176.1 | 174.8 | 0 | 111.4 | S277 A278 I279 H285 | S277-K281 WeakPolarHBondContact O-CD 3.37Å; S277-K281 WeakPolarHBondContact O-CG 3.33Å; A278-K281 WeakPolarHBondContact O-CB 3.4Å; A278-K281 PolarHBondContact O-N 3.01Å; I279-K281 VanDerWaalsContact C-N 3.29Å; I279-K281 PolarHBondContact O-N 3.29Å; K281-H285 WeakPolarHBondContact O-CB 3.44Å; K281-H285 PolarHBondContact O-N 2.96Å |
| 282 | L | 92.5 | Very high | 87.4 | Confident | 52 Ų | 52 | 56.4 Ų | 56.4 | 27% | 0.272 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.1 | -46.8 | 179.4 | -179 | 64.2 | 0 | 0 | 0 | 111.7 | T195 A199 A278 I279 H285 K286 | T195-L282 HydrophobicContact CG2-CD1 4.04Å; T195-L282 HydrophobicContact CG2-CD2 4.21Å; T195-L282 HydrophobicContact CG2-CG 4.12Å; T195-L282 WeakPolarHBondContact O-CD2 3.36Å; A199-L282 HydrophobicContact CB-CD2 3.46Å; A199-L282 VanDerWaalsContact CB-CD2 3.46Å; A278-L282 PolarHBondContact O-N 2.87Å; I279-L282 WeakPolarHBondContact O-CB 3.39Å; I279-L282 PolarHBondContact O-N 2.76Å; I279-L282 VanDerWaalsContact O-N 3.09Å; L282-H285 PolarHBondContact O-N 3.39Å; L282-K286 WeakPolarHBondContact O-CB 3.5Å; L282-K286 PolarHBondContact O-N 2.74Å |
| 283 | V | 92.4 | Very high | 86 | Confident | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.012 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.5 | -49.4 | 176.8 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | V196 E252 L255 I279 H285 K286 K287 | V196-V283 HydrophobicContact CG2-CG2 3.58Å; E252-V283 HydrophobicContact CB-CG1 4.37Å; E252-V283 HydrophobicContact CG-CG1 4.08Å; L255-V283 HydrophobicContact CB-CG1 4.48Å; L255-V283 HydrophobicContact CB-CG2 4.33Å; L255-V283 HydrophobicContact CD1-CG1 4.16Å; L255-V283 HydrophobicContact CD1-CG2 3.9Å; I279-V283 HydrophobicContact CG2-CG2 4.15Å; I279-V283 WeakPolarHBondContact O-CG2 3.38Å; I279-V283 PolarHBondContact O-N 3.41Å; V283-H285 VanDerWaalsContact C-N 3.31Å; V283-H285 PolarHBondContact O-N 2.75Å; V283-K286 PolarHBondContact O-N 3Å; V283-K287 VanDerWaalsContact O-CB 3.27Å; V283-K287 WeakPolarHBondContact O-CB 3.4Å; V283-K287 PolarHBondContact O-N 3.45Å |
| 284 | A | 86.6 | Confident | 84.1 | Confident | 53 Ų | 53 | 56.8 Ų | 56.8 | 44% | 0.438 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.9 | -38.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | R280 H288 | R280-A284 PolarHBondContact O-N 2.98Å; A284-H288 PolarHBondContact O-N 3.39Å |
| 285 | H | 87.3 | Confident | 81.8 | Confident | 134 Ų | 134 | 59.2 Ų | 59.2 | 62% | 0.62 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -69.2 | -47.6 | 175.6 | -171.3 | 81.3 | 0 | 0 | 0 | 112 | K281 L282 V283 H288 E289 | K281-H285 WeakPolarHBondContact O-CB 3.44Å; K281-H285 PolarHBondContact O-N 2.96Å; L282-H285 PolarHBondContact O-N 3.39Å; V283-H285 VanDerWaalsContact C-N 3.31Å; V283-H285 PolarHBondContact O-N 2.75Å; H285-H288 WeakPolarHBondContact O-CB 3.24Å; H285-H288 PolarHBondContact O-N 2.83Å; H285-H288 VanDerWaalsContact O-N 3.16Å; H285-E289 PolarHBondContact O-N 2.89Å |
| 286 | K | 88.9 | Confident | 79.7 | Confident | 27 Ų | 27 | 64.4 Ų | 64.4 | 12% | 0.117 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -68.5 | -37.9 | -178 | -168.5 | 58.2 | 161.3 | 179.8 | 0 | 112 | L192 T195 L282 V283 H288 E289 L290 | L192-K286 HydrophobicContact CD1-CB 3.79Å; L192-K286 HydrophobicContact CD1-CG 3.83Å; T195-K286 HydrophobicContact CG2-CB 4.29Å; T195-K286 HydrophobicContact CG2-CD 4.22Å; T195-K286 HydrophobicContact CG2-CG 3.93Å; T195-K286 VanDerWaalsContact OG1-CE 3.27Å; T195-K286 WeakPolarHBondContact OG1-CE 3.34Å; L282-K286 WeakPolarHBondContact O-CB 3.5Å; L282-K286 PolarHBondContact O-N 2.74Å; V283-K286 PolarHBondContact O-N 3Å; K286-H288 VanDerWaalsContact C-N 3.27Å; K286-H288 PolarHBondContact O-N 3.01Å; K286-E289 HydrophobicContact CD-CB 4.32Å; K286-E289 WeakPolarHBondContact CD-OE2 3.36Å; K286-E289 IonicContact NZ-OE1 3.93Å; K286-E289 PolarHBondContact NZ-OE1 2.79Å; K286-E289 IonicContact NZ-OE2 3.6Å; K286-E289 PolarHBondContact NZ-OE2 3.44Å; K286-E289 WeakPolarHBondContact O-CB 3.26Å; K286-E289 PolarHBondContact O-N 3.45Å; K286-E289 VanDerWaalsContact O-N 3.16Å; K286-L290 HydrophobicContact CG-CD1 4.19Å; K286-L290 HydrophobicContact CG-CG 4.35Å; K286-L290 WeakPolarHBondContact O-CB 3.36Å; K286-L290 VanDerWaalsContact O-CG 3.28Å; K286-L290 WeakPolarHBondContact O-CG 3.42Å; K286-L290 PolarHBondContact O-N 3.43Å |
| 287 | K | 86.4 | Confident | 77.6 | Confident | 19 Ų | 19 | 69.6 Ų | 69.6 | 8% | 0.083 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -56.1 | -42.5 | 170.3 | -176.2 | -178.2 | -178.5 | -169.5 | 0 | 111.5 | L248 N249 E252 V283 L290 L291 | L248-K287 HydrophobicContact CB-CG 4.45Å; N249-K287 WeakPolarHBondContact OD1-CE 3.45Å; N249-K287 PolarHBondContact OD1-NZ 3.45Å; E252-K287 HydrophobicContact CB-CD 4.39Å; E252-K287 VanDerWaalsContact CD-CD 3.42Å; E252-K287 HydrophobicContact CG-CD 4.45Å; E252-K287 WeakPolarHBondContact OE1-CD 3.17Å; E252-K287 IonicContact OE1-NZ 3.56Å; E252-K287 WeakPolarHBondContact OE2-CD 3.34Å; E252-K287 IonicContact OE2-NZ 3.13Å; E252-K287 PolarHBondContact OE2-NZ 3.09Å; V283-K287 VanDerWaalsContact O-CB 3.27Å; V283-K287 WeakPolarHBondContact O-CB 3.4Å; V283-K287 PolarHBondContact O-N 3.45Å; K287-L290 PolarHBondContact O-N 2.93Å; K287-L291 HydrophobicContact CG-CD1 3.96Å; K287-L291 WeakPolarHBondContact O-CB 3.49Å; K287-L291 WeakPolarHBondContact O-CG 3.34Å; K287-L291 PolarHBondContact O-N 3.11Å |
| 288 | H | 79.3 | Confident | 76.4 | Confident | 77 Ų | 77 | 70 Ų | 70 | 36% | 0.356 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.8 | -40.6 | 176.4 | -165.2 | 60.7 | 0 | 0 | 0 | 112.4 | Y22 A284 H285 K286 Q292 | Y22-H288 AromaticContact CE2-CE1 3.5Å; Y22-H288 VanDerWaalsContact CE2-CE1 3.5Å; Y22-H288 WeakPolarHBondContact CE2-CE1 3.36Å; Y22-H288 AromaticContact CE2-ND1 3.25Å; Y22-H288 VanDerWaalsContact CE2-ND1 3.25Å; Y22-H288 WeakPolarHBondContact CE2-ND1 3.36Å; Y22-H288 AromaticContact CZ-CE1 4Å; Y22-H288 AromaticContact CZ-ND1 3.33Å; Y22-H288 VanDerWaalsContact CZ-ND1 3.33Å; Y22-H288 PolarHBondContact OH-ND1 2.89Å; A284-H288 PolarHBondContact O-N 3.39Å; H285-H288 WeakPolarHBondContact O-CB 3.24Å; H285-H288 PolarHBondContact O-N 2.83Å; H285-H288 VanDerWaalsContact O-N 3.16Å; K286-H288 VanDerWaalsContact C-N 3.27Å; K286-H288 PolarHBondContact O-N 3.01Å; H288-Q292 PolarHBondContact CD2-NE2 3.1Å; H288-Q292 PolarHBondContact NE2-NE2 2.64Å; H288-Q292 WeakPolarHBondContact O-CG 3.48Å; H288-Q292 PolarHBondContact O-N 3.13Å; H288-Q292 VanDerWaalsContact O-N 3.16Å |
| 289 | E | 79.9 | Confident | 75.4 | Confident | 84 Ų | 84 | 73.6 Ų | 73.6 | 39% | 0.393 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 173.6 | -167.6 | -154.5 | 126.9 | 0 | 0 | 112 | H285 K286 Q292 S293 | H285-E289 PolarHBondContact O-N 2.89Å; K286-E289 HydrophobicContact CD-CB 4.32Å; K286-E289 WeakPolarHBondContact CD-OE2 3.36Å; K286-E289 IonicContact NZ-OE1 3.93Å; K286-E289 PolarHBondContact NZ-OE1 2.79Å; K286-E289 IonicContact NZ-OE2 3.6Å; K286-E289 PolarHBondContact NZ-OE2 3.44Å; K286-E289 WeakPolarHBondContact O-CB 3.26Å; K286-E289 PolarHBondContact O-N 3.45Å; K286-E289 VanDerWaalsContact O-N 3.16Å; E289-Q292 PolarHBondContact O-N 3.09Å; E289-S293 WeakPolarHBondContact O-CB 3.44Å; E289-S293 PolarHBondContact O-N 3.02Å; E289-S293 PolarHBondContact O-OG 3.33Å |
| 290 | L | 81.5 | Confident | 74.1 | Confident | 9 Ų | 9 | 79.2 Ų | 79.2 | 5% | 0.047 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -64.9 | -45.8 | -179.7 | -67.9 | 174.1 | 0 | 0 | 0 | 111.7 | V188 Q191 L192 L248 K286 K287 Q292 S293 A294 | V188-L290 HydrophobicContact CG1-CB 4.19Å; V188-L290 HydrophobicContact CG1-CD1 4.05Å; V188-L290 HydrophobicContact CG1-CD2 4.23Å; V188-L290 HydrophobicContact CG1-CG 4.37Å; Q191-L290 HydrophobicContact CB-CD2 4.49Å; Q191-L290 HydrophobicContact CG-CD2 4.06Å; L192-L290 HydrophobicContact CB-CD1 3.88Å; L192-L290 HydrophobicContact CD1-CD1 4.24Å; L248-L290 HydrophobicContact CD1-CB 3.96Å; L248-L290 HydrophobicContact CD2-CD1 4.08Å; K286-L290 HydrophobicContact CG-CD1 4.19Å; K286-L290 HydrophobicContact CG-CG 4.35Å; K286-L290 WeakPolarHBondContact O-CB 3.36Å; K286-L290 VanDerWaalsContact O-CG 3.28Å; K286-L290 WeakPolarHBondContact O-CG 3.42Å; K286-L290 PolarHBondContact O-N 3.43Å; K287-L290 PolarHBondContact O-N 2.93Å; L290-Q292 PolarHBondContact O-N 3.1Å; L290-S293 WeakPolarHBondContact CA-OG 3.48Å; L290-S293 PolarHBondContact O-N 2.87Å; L290-S293 PolarHBondContact O-OG 2.91Å; L290-A294 PolarHBondContact O-N 3.27Å; L290-A294 VanDerWaalsContact O-N 3.08Å |
| 291 | L | 73.7 | Confident | 73.2 | Confident | 87 Ų | 87 | 75.7 Ų | 75.7 | 46% | 0.455 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.6 | -26.5 | 175.3 | -71.7 | 168.4 | 0 | 0 | 0 | 113.2 | Y22 L248 K287 | Y22-L291 HydrophobicContact CE1-CD1 4.49Å; Y22-L291 WeakPolarHBondContact OH-CD1 3.37Å; L248-L291 HydrophobicContact CD1-CD2 4.05Å; L248-L291 HydrophobicContact CD1-CG 4.02Å; K287-L291 HydrophobicContact CG-CD1 3.96Å; K287-L291 WeakPolarHBondContact O-CB 3.49Å; K287-L291 WeakPolarHBondContact O-CG 3.34Å; K287-L291 PolarHBondContact O-N 3.11Å |
| 292 | Q | 66 | Low | 72.5 | Confident | 136 Ų | 136 | 71.1 Ų | 71.1 | 64% | 0.636 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -84 | -20.4 | 170.3 | -71.7 | -171.3 | 33.9 | 0 | 0 | 114.2 | H288 E289 L290 | H288-Q292 PolarHBondContact CD2-NE2 3.1Å; H288-Q292 PolarHBondContact NE2-NE2 2.64Å; H288-Q292 WeakPolarHBondContact O-CG 3.48Å; H288-Q292 PolarHBondContact O-N 3.13Å; H288-Q292 VanDerWaalsContact O-N 3.16Å; E289-Q292 PolarHBondContact O-N 3.09Å; L290-Q292 PolarHBondContact O-N 3.1Å |
| 293 | S | 61.8 | Low | 71.8 | Confident | 22 Ų | 22 | 70.9 Ų | 70.9 | 15% | 0.154 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -108.5 | -5 | -167.9 | 60.9 | 0 | 0 | 0 | 0 | 115.6 | E289 L290 L295 K296 | E289-S293 WeakPolarHBondContact O-CB 3.44Å; E289-S293 PolarHBondContact O-N 3.02Å; E289-S293 PolarHBondContact O-OG 3.33Å; L290-S293 WeakPolarHBondContact CA-OG 3.48Å; L290-S293 PolarHBondContact O-N 2.87Å; L290-S293 PolarHBondContact O-OG 2.91Å; S293-L295 PolarHBondContact O-N 2.89Å; S293-K296 PolarHBondContact O-N 3.5Å; S293-K296 VanDerWaalsContact O-N 3.08Å |
| 294 | A | 53.1 | Low | 71.2 | Confident | 78 Ų | 78 | 78.2 Ų | 78.2 | 65% | 0.645 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 12.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | L290 | L290-A294 PolarHBondContact O-N 3.27Å; L290-A294 VanDerWaalsContact O-N 3.08Å |
| 295 | L | 40.1 | Very low | 71.1 | Confident | 108 Ų | 108 | 80.8 Ų | 80.8 | 57% | 0.565 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.8 | 25.3 | 172.1 | -65.2 | 171.8 | 0 | 0 | 0 | 112 | P177 S293 | P177-L295 HydrophobicContact CB-CD1 4.4Å; P177-L295 HydrophobicContact CB-CD2 4.12Å; P177-L295 HydrophobicContact CG-CD1 3.98Å; P177-L295 HydrophobicContact CG-CD2 4.05Å; S293-L295 PolarHBondContact O-N 2.89Å |
| 296 | K | 49.9 | Very low | 71.2 | Confident | 114 Ų | 114 | 74.6 Ų | 74.6 | 50% | 0.496 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -136.9 | 134.6 | 174.8 | -58.9 | 169 | -166.6 | 152.4 | 0 | 107.9 | S293 I298 | S293-K296 PolarHBondContact O-N 3.5Å; S293-K296 VanDerWaalsContact O-N 3.08Å; K296-I298 PolarHBondContact O-N 3.47Å |
| 297 | P | 50.3 | Low | 71.1 | Confident | 109 Ų | 109 | 74.4 Ų | 74.4 | 71% | 0.708 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -55.1 | 137.4 | 157.7 | -21.4 | 33.5 | 0 | 0 | 0 | 109.3 | ||
| 298 | I | 64.8 | Low | 71.1 | Confident | 41 Ų | 41 | 78.9 Ų | 78.9 | 21% | 0.21 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 143.4 | 162.2 | -54.3 | 174.6 | 0 | 0 | 0 | 106.1 | Q187 V188 K296 E302 M303 | Q187-I298 HydrophobicContact CB-CD1 4.14Å; V188-I298 HydrophobicContact CG2-CD1 4.02Å; K296-I298 PolarHBondContact O-N 3.47Å; I298-E302 HydrophobicContact CG2-CB 4.12Å; I298-E302 HydrophobicContact CG2-CG 4.12Å; I298-M303 HydrophobicContact CB-CG 3.74Å; I298-M303 HydrophobicContact CB-SD 4.2Å; I298-M303 HydrophobicContact CG2-CG 3.65Å |
| 299 | D | 71.2 | Confident | 71.6 | Confident | 110 Ų | 110 | 76.4 Ų | 76.4 | 59% | 0.588 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 136.9 | 174.7 | -171.1 | -21 | 0 | 0 | 0 | 109.3 | A301 E302 M303 | D299-A301 PolarHBondContact O-N 3.48Å; D299-A301 PolarHBondContact OD1-N 2.95Å; D299-E302 HydrophobicContact CB-CB 4.18Å; D299-E302 PolarHBondContact O-N 3.13Å; D299-M303 WeakPolarHBondContact O-CG 3.33Å; D299-M303 PolarHBondContact O-N 2.94Å |
| 300 | E | 66.6 | Low | 72 | Confident | 119 Ų | 119 | 72.5 Ų | 72.5 | 56% | 0.556 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -56.9 | -32.5 | 175.8 | -75.1 | -167.3 | -168.3 | 0 | 0 | 112.1 | R304 | E300-R304 WeakPolarHBondContact O-CB 3.4Å; E300-R304 VanDerWaalsContact O-CG 3.3Å; E300-R304 WeakPolarHBondContact O-CG 3.3Å; E300-R304 PolarHBondContact O-N 2.96Å; E300-R304 PolarHBondContact O-NE 3.13Å; E300-R304 IonicContact OE2-CZ 2.67Å; E300-R304 IonicContact OE2-NE 2.72Å; E300-R304 IonicContact OE2-NH2 3.04Å; E300-R304 PolarHBondContact OE2-NH2 3.45Å |
| 301 | A | 73.5 | Confident | 72.2 | Confident | 55 Ų | 55 | 75.3 Ų | 75.3 | 46% | 0.455 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.1 | -43.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | D299 K305 | D299-A301 PolarHBondContact O-N 3.48Å; D299-A301 PolarHBondContact OD1-N 2.95Å; A301-K305 VanDerWaalsContact O-CB 3.31Å; A301-K305 WeakPolarHBondContact O-CB 3.01Å; A301-K305 PolarHBondContact O-N 3.46Å |
| 302 | E | 76.3 | Confident | 72.8 | Confident | 58 Ų | 58 | 75.6 Ų | 75.6 | 27% | 0.271 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -72.4 | -36.9 | 177.3 | -176.7 | 70.9 | 174.6 | 0 | 0 | 111.2 | Q191 I298 D299 K305 N306 | Q191-E302 PolarHBondContact NE2-OE1 3.04Å; I298-E302 HydrophobicContact CG2-CB 4.12Å; I298-E302 HydrophobicContact CG2-CG 4.12Å; D299-E302 HydrophobicContact CB-CB 4.18Å; D299-E302 PolarHBondContact O-N 3.13Å; E302-K305 PolarHBondContact O-N 3.12Å; E302-K305 IonicContact OE1-NZ 3.49Å; E302-K305 IonicContact OE2-NZ 3.25Å; E302-K305 PolarHBondContact OE2-NZ 2.83Å; E302-N306 WeakPolarHBondContact O-CB 3.33Å; E302-N306 PolarHBondContact O-N 3.01Å; E302-N306 PolarHBondContact O-ND2 2.85Å; E302-N306 VanDerWaalsContact O-ND2 3.11Å |
| 303 | M | 77.4 | Confident | 73.8 | Confident | 47 Ų | 47 | 69.4 Ų | 69.4 | 23% | 0.232 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58 | -50.8 | 170.8 | -75.8 | 173.8 | 27.2 | 0 | 0 | 111.8 | Q187 I298 D299 K305 N306 A307 | Q187-M303 HydrophobicContact CB-CG 4.5Å; Q187-M303 HydrophobicContact CG-CE 4.27Å; Q187-M303 HydrophobicContact CG-CG 4.33Å; Q187-M303 HydrophobicContact CG-SD 4.27Å; Q187-M303 VanDerWaalsContact NE2-CE 3.3Å; I298-M303 HydrophobicContact CB-CG 3.74Å; I298-M303 HydrophobicContact CB-SD 4.2Å; I298-M303 HydrophobicContact CG2-CG 3.65Å; D299-M303 WeakPolarHBondContact O-CG 3.33Å; D299-M303 PolarHBondContact O-N 2.94Å; M303-K305 VanDerWaalsContact C-N 3.31Å; M303-K305 PolarHBondContact O-N 2.96Å; M303-N306 PolarHBondContact O-N 2.8Å; M303-A307 WeakPolarHBondContact O-CB 3.37Å; M303-A307 PolarHBondContact O-N 3.23Å |
| 304 | R | 80.9 | Confident | 74.9 | Confident | 156 Ų | 156 | 69.9 Ų | 69.9 | 59% | 0.589 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -62.2 | -39.5 | 178.7 | -75 | -177.9 | -112.8 | 131.7 | -8.3 | 111.5 | E300 Q308 | E300-R304 WeakPolarHBondContact O-CB 3.4Å; E300-R304 VanDerWaalsContact O-CG 3.3Å; E300-R304 WeakPolarHBondContact O-CG 3.3Å; E300-R304 PolarHBondContact O-N 2.96Å; E300-R304 PolarHBondContact O-NE 3.13Å; E300-R304 IonicContact OE2-CZ 2.67Å; E300-R304 IonicContact OE2-NE 2.72Å; E300-R304 IonicContact OE2-NH2 3.04Å; E300-R304 PolarHBondContact OE2-NH2 3.45Å; R304-Q308 WeakPolarHBondContact O-CB 3.33Å; R304-Q308 PolarHBondContact O-N 3.44Å |
| 305 | K | 84.6 | Confident | 75.9 | Confident | 106 Ų | 106 | 69.8 Ų | 69.8 | 46% | 0.461 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.8 | -45.2 | 174.6 | 177.8 | -179.5 | 150.8 | -137.1 | 0 | 112.9 | A301 E302 M303 Q308 V309 | A301-K305 VanDerWaalsContact O-CB 3.31Å; A301-K305 WeakPolarHBondContact O-CB 3.01Å; A301-K305 PolarHBondContact O-N 3.46Å; E302-K305 PolarHBondContact O-N 3.12Å; E302-K305 IonicContact OE1-NZ 3.49Å; E302-K305 IonicContact OE2-NZ 3.25Å; E302-K305 PolarHBondContact OE2-NZ 2.83Å; M303-K305 VanDerWaalsContact C-N 3.31Å; M303-K305 PolarHBondContact O-N 2.96Å; K305-Q308 WeakPolarHBondContact O-CB 3.34Å; K305-Q308 PolarHBondContact O-N 3.37Å; K305-V309 WeakPolarHBondContact O-CG2 3.23Å; K305-V309 PolarHBondContact O-N 2.8Å |
| 306 | N | 89.5 | Confident | 77.2 | Confident | 5 Ų | 5 | 67.1 Ų | 67.1 | 3% | 0.027 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62 | -47.3 | 176.4 | -67.8 | -32.8 | 0 | 0 | 0 | 111.3 | E190 Q191 A194 E302 M303 Q308 V309 V310 | E190-N306 HydrophobicContact CB-CB 4.24Å; Q191-N306 PolarHBondContact NE2-ND2 3.17Å; Q191-N306 PolarHBondContact NE2-OD1 3.42Å; Q191-N306 VanDerWaalsContact NE2-OD1 3.17Å; Q191-N306 PolarHBondContact OE1-ND2 3.41Å; A194-N306 HydrophobicContact CB-CB 4.04Å; A194-N306 WeakPolarHBondContact CB-OD1 3.39Å; E302-N306 WeakPolarHBondContact O-CB 3.33Å; E302-N306 PolarHBondContact O-N 3.01Å; E302-N306 PolarHBondContact O-ND2 2.85Å; E302-N306 VanDerWaalsContact O-ND2 3.11Å; M303-N306 PolarHBondContact O-N 2.8Å; N306-Q308 VanDerWaalsContact C-N 3.3Å; N306-Q308 PolarHBondContact O-N 2.71Å; N306-V309 PolarHBondContact O-N 2.91Å; N306-V310 WeakPolarHBondContact O-CG2 3.28Å; N306-V310 PolarHBondContact O-N 3.11Å |
| 307 | A | 86.1 | Confident | 77.4 | Confident | 22 Ų | 22 | 62.7 Ų | 62.7 | 18% | 0.182 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62 | -38.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | M303 N311 | M303-A307 WeakPolarHBondContact O-CB 3.37Å; M303-A307 PolarHBondContact O-N 3.23Å; A307-N311 VanDerWaalsContact O-CB 3.24Å; A307-N311 WeakPolarHBondContact O-CB 3.43Å; A307-N311 PolarHBondContact O-N 2.81Å; A307-N311 PolarHBondContact O-ND2 3.45Å; A307-N311 VanDerWaalsContact O-ND2 3.12Å |
| 308 | Q | 86.4 | Confident | 76.9 | Confident | 113 Ų | 113 | 62.3 Ų | 62.3 | 53% | 0.528 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.3 | -51.4 | 172.5 | 178.9 | 179.2 | -18.6 | 0 | 0 | 111.7 | R304 K305 N306 V310 N311 E312 | R304-Q308 WeakPolarHBondContact O-CB 3.33Å; R304-Q308 PolarHBondContact O-N 3.44Å; K305-Q308 WeakPolarHBondContact O-CB 3.34Å; K305-Q308 PolarHBondContact O-N 3.37Å; N306-Q308 VanDerWaalsContact C-N 3.3Å; N306-Q308 PolarHBondContact O-N 2.71Å; Q308-V310 VanDerWaalsContact C-N 3.3Å; Q308-V310 PolarHBondContact O-N 2.58Å; Q308-N311 CarbonylContact O-C 3.58Å; Q308-N311 PolarHBondContact O-N 3.3Å; Q308-N311 VanDerWaalsContact O-N 3.14Å; Q308-E312 HydrophobicContact CG-CG 4.34Å; Q308-E312 VanDerWaalsContact CG-OE1 3.27Å; Q308-E312 WeakPolarHBondContact CG-OE1 3.44Å; Q308-E312 PolarHBondContact NE2-OE1 2.76Å; Q308-E312 WeakPolarHBondContact O-CG 3.34Å; Q308-E312 PolarHBondContact O-N 2.99Å |
| 309 | V | 89.8 | Confident | 75.9 | Confident | 26 Ų | 26 | 65.5 Ų | 65.5 | 16% | 0.158 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.7 | -38.1 | 179.9 | 169.9 | 0 | 0 | 0 | 0 | 112.3 | A194 L197 T198 K305 N306 L313 | A194-V309 HydrophobicContact CB-CB 4.31Å; A194-V309 HydrophobicContact CB-CG1 4.16Å; L197-V309 HydrophobicContact CB-CG1 3.65Å; L197-V309 HydrophobicContact CD1-CG1 3.95Å; L197-V309 HydrophobicContact CG-CG1 4.46Å; T198-V309 HydrophobicContact CG2-CG1 4.03Å; T198-V309 HydrophobicContact CG2-CG2 4.08Å; K305-V309 WeakPolarHBondContact O-CG2 3.23Å; K305-V309 PolarHBondContact O-N 2.8Å; N306-V309 PolarHBondContact O-N 2.91Å; V309-L313 PolarHBondContact O-N 2.7Å |
| 310 | V | 89.5 | Confident | 74.1 | Confident | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.006 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -71.1 | -41.4 | 175.5 | 175.4 | 0 | 0 | 0 | 0 | 111.4 | E190 L193 A237 L240 N306 Q308 L313 L314 | E190-V310 HydrophobicContact CB-CG2 4.45Å; E190-V310 HydrophobicContact CG-CG2 4.47Å; L193-V310 HydrophobicContact CB-CG2 4.28Å; L193-V310 HydrophobicContact CD2-CG1 4.16Å; L193-V310 HydrophobicContact CD2-CG2 4.05Å; L193-V310 HydrophobicContact CG-CG2 4.21Å; A237-V310 HydrophobicContact CB-CG1 4.23Å; L240-V310 HydrophobicContact CD2-CG1 4.49Å; N306-V310 WeakPolarHBondContact O-CG2 3.28Å; N306-V310 PolarHBondContact O-N 3.11Å; Q308-V310 VanDerWaalsContact C-N 3.3Å; Q308-V310 PolarHBondContact O-N 2.58Å; V310-L313 PolarHBondContact O-N 2.94Å; V310-L314 HydrophobicContact CG1-CD1 4.34Å; V310-L314 PolarHBondContact O-N 2.81Å; V310-L314 VanDerWaalsContact O-N 3.16Å |
| 311 | N | 84.7 | Confident | 72.5 | Confident | 69 Ų | 69 | 63.2 Ų | 63.2 | 37% | 0.369 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.6 | -34.9 | 176.8 | -73.2 | -25.8 | 0 | 0 | 0 | 112.6 | A307 Q308 L313 L314 L315 | A307-N311 VanDerWaalsContact O-CB 3.24Å; A307-N311 WeakPolarHBondContact O-CB 3.43Å; A307-N311 PolarHBondContact O-N 2.81Å; A307-N311 PolarHBondContact O-ND2 3.45Å; A307-N311 VanDerWaalsContact O-ND2 3.12Å; Q308-N311 CarbonylContact O-C 3.58Å; Q308-N311 PolarHBondContact O-N 3.3Å; Q308-N311 VanDerWaalsContact O-N 3.14Å; N311-L313 VanDerWaalsContact C-N 3.32Å; N311-L313 PolarHBondContact O-N 2.92Å; N311-L314 PolarHBondContact O-N 2.86Å; N311-L315 WeakPolarHBondContact O-CB 3.28Å; N311-L315 VanDerWaalsContact O-CG 3.27Å; N311-L315 WeakPolarHBondContact O-CG 3.49Å; N311-L315 PolarHBondContact O-N 3.26Å |
| 312 | E | 85.5 | Confident | 70.5 | Confident | 92 Ų | 92 | 68.4 Ų | 68.4 | 43% | 0.43 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60 | -41.3 | 174.6 | -78.5 | 171.4 | -172.2 | 0 | 0 | 111.3 | Q308 L315 C316 | Q308-E312 HydrophobicContact CG-CG 4.34Å; Q308-E312 VanDerWaalsContact CG-OE1 3.27Å; Q308-E312 WeakPolarHBondContact CG-OE1 3.44Å; Q308-E312 PolarHBondContact NE2-OE1 2.76Å; Q308-E312 WeakPolarHBondContact O-CG 3.34Å; Q308-E312 PolarHBondContact O-N 2.99Å; E312-L315 PolarHBondContact O-N 3.44Å; E312-C316 PolarHBondContact O-N 3.16Å; E312-C316 PolarHBondContact O-SG 2.87Å |
| 313 | L | 87.9 | Confident | 68.4 | Low | 7 Ų | 7 | 70.6 Ų | 70.6 | 4% | 0.037 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -68 | -40.4 | 174.5 | -176.8 | 63.3 | 0 | 0 | 0 | 112.9 | L197 K212 L233 H234 A237 V309 V310 N311 L315 C316 | L197-L313 HydrophobicContact CD1-CB 4.39Å; L197-L313 HydrophobicContact CD1-CD2 4.01Å; L197-L313 HydrophobicContact CD2-CD2 3.73Å; K212-L313 HydrophobicContact CB-CD1 4.16Å; K212-L313 HydrophobicContact CD-CD1 4.14Å; K212-L313 HydrophobicContact CG-CD1 4.09Å; L233-L313 HydrophobicContact CB-CD2 3.86Å; L233-L313 WeakPolarHBondContact O-CD2 3.14Å; H234-L313 HydrophobicContact CB-CD1 4.45Å; H234-L313 HydrophobicContact CB-CG 4.28Å; A237-L313 HydrophobicContact CB-CD2 4.15Å; V309-L313 PolarHBondContact O-N 2.7Å; V310-L313 PolarHBondContact O-N 2.94Å; N311-L313 VanDerWaalsContact C-N 3.32Å; N311-L313 PolarHBondContact O-N 2.92Å; L313-L315 PolarHBondContact O-N 2.88Å; L313-C316 PolarHBondContact O-N 2.91Å |
| 314 | L | 83.9 | Confident | 65.9 | Low | 32 Ų | 32 | 78.1 Ų | 78.1 | 17% | 0.168 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -62 | -33.3 | 174 | -71.4 | 168.9 | 0 | 0 | 0 | 112 | A237 R238 V310 N311 | A237-L314 HydrophobicContact CB-CD2 3.86Å; A237-L314 HydrophobicContact CB-CG 4Å; R238-L314 HydrophobicContact CB-CD2 4.37Å; V310-L314 HydrophobicContact CG1-CD1 4.34Å; V310-L314 PolarHBondContact O-N 2.81Å; V310-L314 VanDerWaalsContact O-N 3.16Å; N311-L314 PolarHBondContact O-N 2.86Å |
| 315 | L | 74.2 | Confident | 63.4 | Low | 76 Ų | 76 | 79 Ų | 79 | 40% | 0.398 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -74.9 | -31.2 | 175.3 | -72.9 | 165.7 | 0 | 0 | 0 | 112.9 | N311 E312 L313 A317 C318 Y350 | N311-L315 WeakPolarHBondContact O-CB 3.28Å; N311-L315 VanDerWaalsContact O-CG 3.27Å; N311-L315 WeakPolarHBondContact O-CG 3.49Å; N311-L315 PolarHBondContact O-N 3.26Å; E312-L315 PolarHBondContact O-N 3.44Å; L313-L315 PolarHBondContact O-N 2.88Å; L315-A317 VanDerWaalsContact C-N 3.3Å; L315-A317 PolarHBondContact O-N 3.06Å; L315-C318 PolarHBondContact O-N 2.91Å; L315-Y350 HydrophobicContact CD2-CD1 4.22Å; L315-Y350 HydrophobicContact CD2-CE1 3.6Å |
| 316 | C | 68.9 | Low | 60.7 | Low | 51 Ų | 51 | 82.4 Ų | 82.4 | 35% | 0.345 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -59.6 | -37.2 | 178.1 | -71.2 | 0 | 0 | 0 | 0 | 113.2 | F213 E312 L313 C318 S319 | F213-C316 HydrophobicContact CZ-CB 3.86Å; E312-C316 PolarHBondContact O-N 3.16Å; E312-C316 PolarHBondContact O-SG 2.87Å; L313-C316 PolarHBondContact O-N 2.91Å; C316-C318 VanDerWaalsContact C-N 3.29Å; C316-C318 PolarHBondContact O-N 2.96Å; C316-S319 PolarHBondContact O-N 2.91Å; C316-S319 VanDerWaalsContact O-N 3.09Å |
| 317 | A | 53.1 | Low | 57.8 | Low | 21 Ų | 21 | 88.8 Ų | 88.8 | 17% | 0.174 | 48% | 0.481 | C | S | . | . | G | 310 helix | trans | -67.8 | -26.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | F213 H234 L315 S319 S320 | F213-A317 HydrophobicContact CE1-CB 3.99Å; H234-A317 WeakPolarHBondContact CE1-CB 3.23Å; H234-A317 VanDerWaalsContact NE2-CB 3.25Å; H234-A317 WeakPolarHBondContact NE2-CB 3.46Å; L315-A317 VanDerWaalsContact C-N 3.3Å; L315-A317 PolarHBondContact O-N 3.06Å; A317-S319 PolarHBondContact O-N 3.11Å; A317-S319 VanDerWaalsContact O-N 3.15Å; A317-S320 PolarHBondContact O-N 2.93Å; A317-S320 PolarHBondContact O-OG 3.11Å |
| 318 | C | 40.8 | Very low | 55 | Low | 101 Ų | 101 | 95.6 Ų | 95.6 | 68% | 0.682 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -71.5 | 0.3 | 173.8 | -65 | 0 | 0 | 0 | 0 | 113.4 | L315 C316 | L315-C318 PolarHBondContact O-N 2.91Å; C316-C318 VanDerWaalsContact C-N 3.29Å; C316-C318 PolarHBondContact O-N 2.96Å |
| 319 | S | 42.2 | Very low | 52.3 | Low | 108 Ų | 108 | 95.1 Ų | 95.1 | 76% | 0.755 | 51% | 0.51 | S | S | * | . | G | 310 helix | trans | -124.1 | 8 | 179.7 | -58.7 | 0 | 0 | 0 | 0 | 113.4 | C316 A317 | C316-S319 PolarHBondContact O-N 2.91Å; C316-S319 VanDerWaalsContact O-N 3.09Å; A317-S319 PolarHBondContact O-N 3.11Å; A317-S319 VanDerWaalsContact O-N 3.15Å |
| 320 | S | 33.7 | Very low | 49.5 | Very low | 61 Ų | 61 | 99.3 Ų | 99.3 | 43% | 0.427 | 54% | 0.54 | S | S | . | . | trans | -125.5 | 66 | -176 | 65.1 | 0 | 0 | 0 | 0 | 112.4 | A317 | A317-S320 PolarHBondContact O-N 2.93Å; A317-S320 PolarHBondContact O-OG 3.11Å | ||
| 321 | V | 33 | Very low | 46.7 | Very low | 120 Ų | 120 | 106.7 Ų | 106.7 | 73% | 0.727 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -135 | 130.5 | 168.9 | -178.8 | 0 | 0 | 0 | 0 | 107.5 | ||
| 322 | E | 32.5 | Very low | 44.4 | Very low | 164 Ų | 164 | 111.8 Ų | 111.8 | 77% | 0.766 | 60% | 0.602 | S | S | * | * | S | Bend | trans | 62.9 | 142.4 | -169.3 | -59.4 | -47 | 105.1 | 0 | 0 | 118.3 | ||
| 323 | P | 31.6 | Very low | 42.1 | Very low | 105 Ų | 105 | 114 Ų | 114 | 68% | 0.682 | 61% | 0.612 | S | S | * | * | trans | -96.2 | 174.4 | 174.8 | 39.2 | -35.4 | 0 | 0 | 0 | 113.3 | ||||
| 324 | F | 24.7 | Very low | 39.4 | Very low | 205 Ų | 205 | 119.1 Ų | 119.1 | 90% | 0.899 | 64% | 0.643 | S | S | * | * | trans | 74.7 | 166.7 | 172.7 | -112 | -106.5 | 0 | 0 | 0 | 117.1 | ||||
| 325 | E | 29.5 | Very low | 37.1 | Very low | 173 Ų | 173 | 125.2 Ų | 125.2 | 81% | 0.808 | 68% | 0.676 | S | S | * | * | trans | 60.6 | 80.4 | -178.8 | -57.9 | -161.2 | 166.7 | 0 | 0 | 117.4 | ||||
| 326 | Q | 26.3 | Very low | 35.5 | Very low | 178 Ų | 178 | 127.4 Ų | 127.4 | 83% | 0.832 | 69% | 0.688 | S | S | * | * | 18.6 | 124.9 | 123.2 | -56.2 | 171.5 | -28.8 | 0 | 0 | 117.8 | |||||
| 327 | L | 29 | Very low | 34.5 | Very low | 140 Ų | 140 | 129.6 Ų | 129.6 | 73% | 0.733 | 70% | 0.704 | S | S | * | * | 165.1 | 132 | 110.4 | -83.8 | 169.7 | 0 | 0 | 0 | 112.4 | |||||
| 328 | E | 27.9 | Very low | 34.5 | Very low | 164 Ų | 164 | 133.8 Ų | 133.8 | 77% | 0.766 | 72% | 0.723 | S | S | * | * | trans | 49.7 | 89.5 | 140.4 | -62.5 | 169.4 | -177 | 0 | 0 | 119.7 | ||||
| 329 | D | 30.6 | Very low | 36 | Very low | 104 Ų | 104 | 130.7 Ų | 130.7 | 56% | 0.556 | 70% | 0.703 | S | S | * | * | -177.5 | 78.3 | 115.9 | -92.6 | -15.1 | 0 | 0 | 0 | 109.8 | |||||
| 330 | S | 30.9 | Very low | 37.8 | Very low | 113 Ų | 113 | 128.1 Ų | 128.1 | 79% | 0.79 | 68% | 0.683 | S | S | * | * | trans | -93 | 103.4 | 167.7 | 56.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 331 | D | 31 | Very low | 40.3 | Very low | 156 Ų | 156 | 126 Ų | 126 | 83% | 0.834 | 67% | 0.667 | S | S | * | * | trans | -151.5 | 154.4 | 169.9 | -99.1 | -41.4 | 0 | 0 | 0 | 110.8 | ||||
| 332 | E | 34.7 | Very low | 42.9 | Very low | 177 Ų | 177 | 123.6 Ų | 123.6 | 83% | 0.827 | 65% | 0.645 | S | S | * | * | trans | -87.6 | 117 | -170.3 | -58.7 | -173.8 | 167.6 | 0 | 0 | 113.3 | ||||
| 333 | E | 37.4 | Very low | 45.2 | Very low | 139 Ų | 139 | 120.4 Ų | 120.4 | 65% | 0.65 | 63% | 0.626 | S | S | * | * | trans | -125.3 | 69.6 | 175.5 | -70.9 | -157.7 | 132.7 | 0 | 0 | 114.7 | ||||
| 334 | V | 32.7 | Very low | 47.9 | Very low | 113 Ų | 113 | 115.4 Ų | 115.4 | 69% | 0.685 | 59% | 0.593 | S | S | * | * | 28.1 | 111.5 | 119.6 | -174.4 | 0 | 0 | 0 | 0 | 118 | N336 | V334-N336 PolarHBondContact O-N 2.81Å; V334-N336 VanDerWaalsContact O-N 3.13Å | |||
| 335 | N | 34.9 | Very low | 51.2 | Low | 161 Ų | 161 | 106.5 Ų | 106.5 | 86% | 0.861 | 55% | 0.554 | S | S | * | * | S | Bend | trans | 33.7 | 62.7 | 143.1 | -68.6 | -25.5 | 0 | 0 | 0 | 119 | ||
| 336 | N | 40 | Very low | 53.9 | Low | 122 Ų | 122 | 101.5 Ų | 101.5 | 65% | 0.652 | 53% | 0.533 | S | S | * | . | trans | -146.9 | 33.7 | 167.3 | -135.5 | -23.5 | 0 | 0 | 0 | 115.3 | V334 D338 C339 | V334-N336 PolarHBondContact O-N 2.81Å; V334-N336 VanDerWaalsContact O-N 3.13Å; N336-D338 PolarHBondContact O-N 3.46Å; N336-C339 WeakPolarHBondContact O-CB 3.43Å; N336-C339 PolarHBondContact O-N 3.16Å | ||
| 337 | S | 49.1 | Very low | 56.8 | Low | 97 Ų | 97 | 96.3 Ų | 96.3 | 68% | 0.678 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -23.3 | 180 | 47.7 | 0 | 0 | 0 | 0 | 114.7 | ||
| 338 | D | 53.1 | Low | 59.8 | Low | 108 Ų | 108 | 89.6 Ų | 89.6 | 58% | 0.578 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -2.9 | -176.9 | -97.2 | 13.6 | 0 | 0 | 0 | 114.8 | N336 P340 R343 | N336-D338 PolarHBondContact O-N 3.46Å; D338-P340 WeakPolarHBondContact O-CD 3.38Å; D338-R343 PolarHBondContact O-NE 3.2Å; D338-R343 IonicContact OD1-CZ 2.66Å; D338-R343 IonicContact OD1-NE 3.63Å; D338-R343 IonicContact OD1-NH2 2.63Å; D338-R343 PolarHBondContact OD1-NH2 2.95Å; D338-R343 IonicContact OD2-NH2 2.97Å; D338-R343 PolarHBondContact OD2-NH2 3.19Å |
| 339 | C | 72.1 | Confident | 62.6 | Low | 37 Ų | 37 | 83.5 Ų | 83.5 | 25% | 0.25 | 45% | 0.445 | C | S | . | . | trans | -57.5 | 123.1 | 176.9 | 175.5 | 0 | 0 | 0 | 0 | 112 | N336 I341 R342 R343 | N336-C339 WeakPolarHBondContact O-CB 3.43Å; N336-C339 PolarHBondContact O-N 3.16Å; C339-I341 PolarHBondContact O-N 2.91Å; C339-I341 VanDerWaalsContact O-N 3.12Å; C339-R342 HydrophobicContact CB-CB 4.19Å; C339-R342 PolarHBondContact O-N 3.29Å; C339-R343 PolarHBondContact O-N 3.11Å | ||
| 340 | P | 78.6 | Confident | 65 | Low | 53 Ų | 53 | 83.9 Ų | 83.9 | 34% | 0.344 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -56.1 | -31.2 | -179.9 | -28.9 | 36.4 | 0 | 0 | 0 | 114.4 | D338 R343 L344 | D338-P340 WeakPolarHBondContact O-CD 3.38Å; P340-R343 PolarHBondContact O-N 2.76Å; P340-L344 WeakPolarHBondContact O-CB 3.31Å; P340-L344 PolarHBondContact O-N 2.74Å |
| 341 | I | 86.8 | Confident | 67.6 | Low | 18 Ų | 18 | 80.6 Ų | 80.6 | 9% | 0.092 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -69.3 | -43.2 | 177.9 | -58 | 171.5 | 0 | 0 | 0 | 110.4 | C339 L344 Y345 I393 Y398 L404 | C339-I341 PolarHBondContact O-N 2.91Å; C339-I341 VanDerWaalsContact O-N 3.12Å; I341-L344 PolarHBondContact O-N 2.87Å; I341-Y345 PolarHBondContact O-N 2.87Å; I341-I393 HydrophobicContact CG2-CG1 4.32Å; I341-Y398 WeakPolarHBondContact CD1-O 3.4Å; I341-Y398 HydrophobicContact CG2-CD2 4.16Å; I341-Y398 HydrophobicContact CG2-CG 4.35Å; I341-L404 HydrophobicContact CG2-CB 4.26Å; I341-L404 HydrophobicContact CG2-CD2 3.77Å; I341-L404 WeakPolarHBondContact O-CD2 3.49Å |
| 342 | R | 86.9 | Confident | 69.7 | Low | 68 Ų | 68 | 80.7 Ų | 80.7 | 26% | 0.257 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.7 | -39.7 | 174.7 | -179.8 | 67.8 | 84.1 | -178.6 | 3.4 | 111.2 | C339 Y345 N346 N390 | C339-R342 HydrophobicContact CB-CB 4.19Å; C339-R342 PolarHBondContact O-N 3.29Å; R342-Y345 PolarHBondContact O-N 3.13Å; R342-N346 WeakPolarHBondContact O-CB 3.49Å; R342-N346 VanDerWaalsContact O-CG 3.26Å; R342-N346 PolarHBondContact O-N 2.81Å; R342-N346 PolarHBondContact O-OD1 2.87Å; R342-N390 PolarHBondContact NH1-OD1 3.13Å |
| 343 | R | 82.2 | Confident | 71.1 | Confident | 97 Ų | 97 | 74 Ų | 74 | 37% | 0.366 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -59.8 | -48.7 | 174.2 | -70.7 | 178.6 | 173.1 | 179.3 | -0.7 | 111.7 | D338 C339 P340 Y345 N346 L347 L443 | D338-R343 PolarHBondContact O-NE 3.2Å; D338-R343 IonicContact OD1-CZ 2.66Å; D338-R343 IonicContact OD1-NE 3.63Å; D338-R343 IonicContact OD1-NH2 2.63Å; D338-R343 PolarHBondContact OD1-NH2 2.95Å; D338-R343 IonicContact OD2-NH2 2.97Å; D338-R343 PolarHBondContact OD2-NH2 3.19Å; C339-R343 PolarHBondContact O-N 3.11Å; P340-R343 PolarHBondContact O-N 2.76Å; R343-Y345 PolarHBondContact O-N 2.86Å; R343-N346 PolarHBondContact O-N 2.88Å; R343-L347 WeakPolarHBondContact O-CG 3.38Å; R343-L347 PolarHBondContact O-N 3.4Å; R343-L443 HydrophobicContact CB-CD1 4.1Å; R343-L443 HydrophobicContact CB-CD2 3.93Å |
| 344 | L | 88.8 | Confident | 72 | Confident | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.3 | -43.9 | 178 | -178.4 | 54.4 | 0 | 0 | 0 | 112.3 | P340 I341 L347 L348 C401 L404 L405 A440 L443 | P340-L344 WeakPolarHBondContact O-CB 3.31Å; P340-L344 PolarHBondContact O-N 2.74Å; I341-L344 PolarHBondContact O-N 2.87Å; L344-L347 PolarHBondContact O-N 2.78Å; L344-L348 HydrophobicContact CD1-CD1 4.01Å; L344-L348 HydrophobicContact CD1-CG 4.35Å; L344-L348 HydrophobicContact CG-CD1 4.22Å; L344-L348 WeakPolarHBondContact O-CG 3.41Å; L344-L348 PolarHBondContact O-N 3.06Å; L344-L348 VanDerWaalsContact O-N 3.16Å; L344-C401 HydrophobicContact CD2-CB 4.09Å; L344-L404 HydrophobicContact CB-CD2 3.97Å; L344-L404 HydrophobicContact CD2-CD2 3.95Å; L344-L404 HydrophobicContact CD2-CG 4.41Å; L344-L404 HydrophobicContact CG-CD2 3.93Å; L344-L405 HydrophobicContact CD2-CD2 4.4Å; L344-L405 HydrophobicContact CD2-CG 4.44Å; L344-A440 HydrophobicContact CD1-CB 4.43Å; L344-A440 HydrophobicContact CD2-CB 3.98Å; L344-L443 HydrophobicContact CB-CD1 3.72Å; L344-L443 HydrophobicContact CD1-CD1 4.43Å |
| 345 | Y | 92.1 | Very high | 72.9 | Confident | 18 Ų | 18 | 77.3 Ų | 77.3 | 7% | 0.071 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 174.4 | 168 | -91.6 | 0 | 0 | 0 | 112.6 | I341 R342 R343 L348 R349 F386 V389 N390 I393 | I341-Y345 PolarHBondContact O-N 2.87Å; R342-Y345 PolarHBondContact O-N 3.13Å; R343-Y345 PolarHBondContact O-N 2.86Å; Y345-L348 PolarHBondContact O-N 3.35Å; Y345-R349 HydrophobicContact CE1-CB 4.44Å; Y345-R349 WeakPolarHBondContact O-CB 3.46Å; Y345-R349 PolarHBondContact O-N 2.95Å; Y345-F386 HydrophobicContact CD2-CD1 4.21Å; Y345-F386 HydrophobicContact CE2-CB 4.31Å; Y345-F386 AromaticContact CE2-CD1 3.88Å; Y345-F386 HydrophobicContact CE2-CD1 3.88Å; Y345-V389 HydrophobicContact CD2-CG1 3.74Å; Y345-V389 HydrophobicContact CE2-CG1 4.18Å; Y345-N390 HydrophobicContact CE2-CB 4.02Å; Y345-I393 VanDerWaalsContact CB-CD1 3.42Å; Y345-I393 HydrophobicContact CD1-CD1 4.1Å; Y345-I393 HydrophobicContact CD2-CD1 3.64Å; Y345-I393 HydrophobicContact CE2-CD1 4.45Å; Y345-I393 HydrophobicContact CG-CD1 3.43Å; Y345-I393 VanDerWaalsContact CG-CD1 3.43Å |
| 346 | N | 86.6 | Confident | 73.8 | Confident | 69 Ų | 69 | 76.3 Ų | 76.3 | 37% | 0.369 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 179.3 | -73.1 | -4.5 | 0 | 0 | 0 | 111.7 | R342 R343 L348 R349 Y350 | R342-N346 WeakPolarHBondContact O-CB 3.49Å; R342-N346 VanDerWaalsContact O-CG 3.26Å; R342-N346 PolarHBondContact O-N 2.81Å; R342-N346 PolarHBondContact O-OD1 2.87Å; R343-N346 PolarHBondContact O-N 2.88Å; N346-L348 VanDerWaalsContact C-N 3.28Å; N346-L348 PolarHBondContact O-N 3.31Å; N346-R349 PolarHBondContact O-N 3.21Å; N346-Y350 WeakPolarHBondContact O-CD2 3.42Å; N346-Y350 PolarHBondContact O-N 3.38Å |
| 347 | L | 88.5 | Confident | 74 | Confident | 68 Ų | 68 | 72.6 Ų | 72.6 | 36% | 0.356 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58.9 | -38.8 | 177.4 | -72.9 | 167.7 | 0 | 0 | 0 | 112.2 | R343 L344 H351 Y439 L443 | R343-L347 WeakPolarHBondContact O-CG 3.38Å; R343-L347 PolarHBondContact O-N 3.4Å; L344-L347 PolarHBondContact O-N 2.78Å; L347-H351 PolarHBondContact O-N 2.69Å; L347-Y439 HydrophobicContact CB-CD1 4.46Å; L347-Y439 HydrophobicContact CB-CD2 3.69Å; L347-Y439 HydrophobicContact CB-CE2 3.88Å; L347-Y439 HydrophobicContact CB-CG 4Å; L347-Y439 HydrophobicContact CD1-CD1 4.03Å; L347-Y439 HydrophobicContact CD1-CG 3.95Å; L347-Y439 HydrophobicContact CD2-CE1 4.43Å; L347-Y439 HydrophobicContact CG-CG 4.5Å; L347-L443 HydrophobicContact CD1-CD1 4.23Å |
| 348 | L | 90.3 | Very high | 74.4 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -78.1 | -43.4 | 178.7 | -66.3 | 170.1 | 0 | 0 | 0 | 113.2 | L344 Y345 N346 Y350 F386 I408 L432 L435 A436 Y439 | L344-L348 HydrophobicContact CD1-CD1 4.01Å; L344-L348 HydrophobicContact CD1-CG 4.35Å; L344-L348 HydrophobicContact CG-CD1 4.22Å; L344-L348 WeakPolarHBondContact O-CG 3.41Å; L344-L348 PolarHBondContact O-N 3.06Å; L344-L348 VanDerWaalsContact O-N 3.16Å; Y345-L348 PolarHBondContact O-N 3.35Å; N346-L348 VanDerWaalsContact C-N 3.28Å; N346-L348 PolarHBondContact O-N 3.31Å; L348-Y350 VanDerWaalsContact C-N 3.3Å; L348-Y350 PolarHBondContact O-N 3.43Å; L348-F386 HydrophobicContact CB-CE1 4Å; L348-F386 HydrophobicContact CB-CZ 4.2Å; L348-I408 HydrophobicContact CD1-CD1 4.19Å; L348-I408 HydrophobicContact CD1-CG1 4.07Å; L348-I408 HydrophobicContact CD1-CG2 4.42Å; L348-L432 HydrophobicContact CD2-CD1 4.21Å; L348-L435 HydrophobicContact CD2-CB 3.96Å; L348-A436 HydrophobicContact CD1-CB 3.86Å; L348-A436 HydrophobicContact CD2-CB 4.08Å; L348-Y439 HydrophobicContact CD2-CD2 3.9Å; L348-Y439 HydrophobicContact CD2-CE2 4.31Å; L348-Y439 HydrophobicContact CG-CD2 4.34Å |
| 349 | R | 87 | Confident | 75 | Confident | 36 Ų | 36 | 66.9 Ų | 66.9 | 14% | 0.136 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.5 | -32.5 | -177.5 | 173.8 | 57.5 | -165 | 107.1 | -7.7 | 112.6 | Y345 N346 T359 V365 F386 | Y345-R349 HydrophobicContact CE1-CB 4.44Å; Y345-R349 WeakPolarHBondContact O-CB 3.46Å; Y345-R349 PolarHBondContact O-N 2.95Å; N346-R349 PolarHBondContact O-N 3.21Å; R349-T359 PolarHBondContact NH1-OG1 3.4Å; R349-T359 VanDerWaalsContact NH1-OG1 3.15Å; R349-V365 VanDerWaalsContact CZ-CG2 3.44Å; R349-F386 HydrophobicContact CB-CD1 4.28Å; R349-F386 HydrophobicContact CB-CE1 4.28Å |
| 350 | Y | 82.5 | Confident | 75.1 | Confident | 111 Ų | 111 | 65.5 Ų | 65.5 | 44% | 0.435 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | 12.6 | -173.9 | -59.8 | -71.7 | 0 | 0 | 0 | 114.3 | L315 N346 L348 R352 | L315-Y350 HydrophobicContact CD2-CD1 4.22Å; L315-Y350 HydrophobicContact CD2-CE1 3.6Å; N346-Y350 WeakPolarHBondContact O-CD2 3.42Å; N346-Y350 PolarHBondContact O-N 3.38Å; L348-Y350 VanDerWaalsContact C-N 3.3Å; L348-Y350 PolarHBondContact O-N 3.43Å; Y350-R352 PolarHBondContact O-N 2.63Å |
| 351 | H | 84.5 | Confident | 75.5 | Confident | 44 Ų | 44 | 63 Ų | 63 | 20% | 0.204 | 31% | 0.31 | C | S | . | . | trans | -60.4 | 129 | 174.6 | -170.6 | 82.2 | 0 | 0 | 0 | 111.2 | L347 T360 F361 L435 Y439 | L347-H351 PolarHBondContact O-N 2.69Å; H351-T360 PolarHBondContact CD2-OG1 3.45Å; H351-T360 WeakPolarHBondContact O-CB 3.47Å; H351-T360 PolarHBondContact O-N 2.92Å; H351-T360 PolarHBondContact O-OG1 3.32Å; H351-F361 HydrophobicContact CB-CD2 4.34Å; H351-F361 HydrophobicContact CB-CE2 3.99Å; H351-F361 AromaticContact CD2-CE2 3.94Å; H351-L435 VanDerWaalsContact CD2-CD1 3.46Å; H351-L435 WeakPolarHBondContact CD2-CD1 3.37Å; H351-L435 VanDerWaalsContact NE2-CD1 3.34Å; H351-L435 WeakPolarHBondContact NE2-CD1 3.47Å; H351-Y439 PolarHBondContact CE1-OH 2.68Å; H351-Y439 AromaticContact ND1-CZ 3.95Å; H351-Y439 PolarHBondContact ND1-OH 2.59Å | ||
| 352 | R | 74.9 | Confident | 75.3 | Confident | 158 Ų | 158 | 67 Ų | 67 | 60% | 0.596 | 33% | 0.328 | S | S | * | . | B | Isolated β-bridge | trans | -112.6 | 148.3 | 176.1 | -66.5 | -170.7 | 179.8 | -157.3 | 6.1 | 110.2 | Y350 G357 T360 | Y350-R352 PolarHBondContact O-N 2.63Å; R352-G357 PolarHBondContact NH1-O 2.62Å; R352-T360 WeakPolarHBondContact CA-OG1 3.41Å |
| 353 | D | 65.4 | Low | 75.3 | Confident | 37 Ų | 37 | 67.9 Ų | 67.9 | 20% | 0.198 | 34% | 0.335 | C | S | . | . | trans | -94.2 | 123.9 | 172.6 | -161.6 | -29.4 | 0 | 0 | 0 | 108.8 | E355 L356 G357 T360 R431 | D353-E355 PolarHBondContact O-N 3.07Å; D353-E355 VanDerWaalsContact O-N 3.17Å; D353-L356 PolarHBondContact O-N 3.26Å; D353-L356 VanDerWaalsContact O-N 3.09Å; D353-G357 PolarHBondContact O-N 3.15Å; D353-T360 HydrophobicContact CB-CG2 4.46Å; D353-T360 PolarHBondContact N-OG1 3.08Å; D353-R431 IonicContact OD2-CZ 2.75Å; D353-R431 IonicContact OD2-NH1 3.34Å; D353-R431 PolarHBondContact OD2-NH1 2.93Å | ||
| 354 | D | 55.7 | Low | 75.8 | Confident | 170 Ų | 170 | 63.8 Ų | 63.8 | 91% | 0.909 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -24.6 | -171.9 | -73.4 | -32.7 | 0 | 0 | 0 | 112.7 | ||
| 355 | E | 50.6 | Low | 75.8 | Confident | 152 Ų | 152 | 64.9 Ų | 64.9 | 71% | 0.71 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -13.2 | 180 | -63.6 | -176.8 | 175.7 | 0 | 0 | 113.4 | D353 | D353-E355 PolarHBondContact O-N 3.07Å; D353-E355 VanDerWaalsContact O-N 3.17Å |
| 356 | L | 54.1 | Low | 75.8 | Confident | 140 Ų | 140 | 73.4 Ų | 73.4 | 73% | 0.733 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.8 | -15.2 | -168.5 | -81.7 | 158.5 | 0 | 0 | 0 | 115.8 | D353 S358 | D353-L356 PolarHBondContact O-N 3.26Å; D353-L356 VanDerWaalsContact O-N 3.09Å; L356-S358 PolarHBondContact O-N 2.86Å |
| 357 | G | 44.5 | Very low | 76 | Confident | 43 Ų | 43 | 73 Ų | 73 | 44% | 0.443 | 36% | 0.356 | S | S | . | . | trans | 69.7 | -17.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | R352 D353 | R352-G357 PolarHBondContact NH1-O 2.62Å; D353-G357 PolarHBondContact O-N 3.15Å | ||
| 358 | S | 57.8 | Low | 76 | Confident | 65 Ų | 65 | 71.7 Ų | 71.7 | 46% | 0.455 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -78.9 | 169.9 | 176.7 | -168.7 | 0 | 0 | 0 | 0 | 113 | L356 T360 | L356-S358 PolarHBondContact O-N 2.86Å; S358-T360 PolarHBondContact O-N 3.1Å |
| 359 | T | 65 | Low | 75.7 | Confident | 20 Ų | 20 | 75.7 Ų | 75.7 | 12% | 0.123 | 37% | 0.373 | C | S | . | . | B | Isolated β-bridge | trans | -77.5 | 124.4 | 174.1 | 83.6 | 0 | 0 | 0 | 0 | 110.5 | R349 F361 E362 | R349-T359 PolarHBondContact NH1-OG1 3.4Å; R349-T359 VanDerWaalsContact NH1-OG1 3.15Å; T359-F361 PolarHBondContact O-N 2.79Å; T359-F361 VanDerWaalsContact O-N 3.09Å; T359-E362 PolarHBondContact O-N 3.09Å; T359-E362 PolarHBondContact OG1-OE1 2.98Å |
| 360 | T | 75 | Confident | 75.7 | Confident | 9 Ų | 9 | 82.7 Ų | 82.7 | 6% | 0.055 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -23.4 | -163.4 | -44.3 | 0 | 0 | 0 | 0 | 113.1 | H351 R352 D353 S358 K428 | H351-T360 PolarHBondContact CD2-OG1 3.45Å; H351-T360 WeakPolarHBondContact O-CB 3.47Å; H351-T360 PolarHBondContact O-N 2.92Å; H351-T360 PolarHBondContact O-OG1 3.32Å; R352-T360 WeakPolarHBondContact CA-OG1 3.41Å; D353-T360 HydrophobicContact CB-CG2 4.46Å; D353-T360 PolarHBondContact N-OG1 3.08Å; S358-T360 PolarHBondContact O-N 3.1Å; T360-K428 WeakPolarHBondContact O-CD 3.06Å; T360-K428 WeakPolarHBondContact O-CE 3.28Å; T360-K428 PolarHBondContact O-NZ 2.81Å; T360-K428 VanDerWaalsContact O-NZ 3.16Å |
| 361 | F | 87 | Confident | 75.7 | Confident | 1 Ų | 1 | 86.4 Ų | 86.4 | 0% | 0.004 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.5 | 34 | -171.5 | -51.9 | -59.5 | 0 | 0 | 0 | 113 | H351 T359 E363 F364 F386 K428 R431 L432 L435 | H351-F361 HydrophobicContact CB-CD2 4.34Å; H351-F361 HydrophobicContact CB-CE2 3.99Å; H351-F361 AromaticContact CD2-CE2 3.94Å; T359-F361 PolarHBondContact O-N 2.79Å; T359-F361 VanDerWaalsContact O-N 3.09Å; F361-E363 VanDerWaalsContact C-N 3.26Å; F361-E363 PolarHBondContact O-N 3.25Å; F361-F364 HydrophobicContact CB-CB 4.4Å; F361-F364 HydrophobicContact CB-CD2 3.88Å; F361-F364 HydrophobicContact CB-CG 4.4Å; F361-F364 HydrophobicContact CD1-CD2 4.27Å; F361-F364 HydrophobicContact CD1-CE2 4.24Å; F361-F364 WeakPolarHBondContact O-CB 3.4Å; F361-F364 PolarHBondContact O-N 3.44Å; F361-F386 HydrophobicContact CB-CE2 3.8Å; F361-F386 HydrophobicContact CB-CZ 4.35Å; F361-K428 HydrophobicContact CD1-CB 4.23Å; F361-K428 HydrophobicContact CE1-CB 4.27Å; F361-K428 VanDerWaalsContact CE1-O 3.28Å; F361-K428 WeakPolarHBondContact CE1-O 3.19Å; F361-R431 HydrophobicContact CE1-CB 4.08Å; F361-R431 HydrophobicContact CZ-CB 4.1Å; F361-L432 HydrophobicContact CD1-CB 3.93Å; F361-L432 HydrophobicContact CD1-CD1 4.34Å; F361-L432 HydrophobicContact CD2-CD1 3.91Å; F361-L432 HydrophobicContact CE1-CB 3.76Å; F361-L432 HydrophobicContact CE2-CD1 4.15Å; F361-L432 HydrophobicContact CG-CB 4.47Å; F361-L432 HydrophobicContact CG-CD1 4.02Å; F361-L432 HydrophobicContact CZ-CB 4.14Å; F361-L435 HydrophobicContact CE2-CD1 3.73Å; F361-L435 HydrophobicContact CZ-CD1 3.65Å |
| 362 | E | 82.8 | Confident | 75.5 | Confident | 102 Ų | 102 | 88.9 Ų | 88.9 | 48% | 0.477 | 44% | 0.436 | S | S | . | . | G | 310 helix | trans | -61.4 | -32.7 | -178.2 | -146.2 | 151.9 | -88.6 | 0 | 0 | 112.9 | T359 F364 V365 | T359-E362 PolarHBondContact O-N 3.09Å; T359-E362 PolarHBondContact OG1-OE1 2.98Å; E362-F364 PolarHBondContact O-N 2.99Å; E362-V365 WeakPolarHBondContact O-CB 3.45Å; E362-V365 VanDerWaalsContact O-CG2 3.27Å; E362-V365 WeakPolarHBondContact O-CG2 3.27Å; E362-V365 PolarHBondContact O-N 2.98Å |
| 363 | E | 85.8 | Confident | 75.9 | Confident | 86 Ų | 86 | 86.6 Ų | 86.6 | 40% | 0.402 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -64.9 | -18.1 | 175 | -58.5 | 89.7 | 159 | 0 | 0 | 113.7 | F361 I425 K428 | F361-E363 VanDerWaalsContact C-N 3.26Å; F361-E363 PolarHBondContact O-N 3.25Å; E363-I425 HydrophobicContact CG-CG1 4.42Å; E363-K428 IonicContact OE1-NZ 3.34Å; E363-K428 PolarHBondContact OE1-NZ 3.4Å; E363-K428 WeakPolarHBondContact OE2-CD 3.24Å; E363-K428 IonicContact OE2-NZ 2.8Å; E363-K428 PolarHBondContact OE2-NZ 2.73Å |
| 364 | F | 92.8 | Very high | 76.8 | Confident | 11 Ų | 11 | 88.2 Ų | 88.2 | 5% | 0.048 | 44% | 0.443 | C | S | . | . | G | 310 helix | trans | -95.8 | 2.3 | -175.9 | -61.9 | -100.7 | 0 | 0 | 0 | 112.6 | F361 E362 S385 F386 M411 A415 I425 K428 A429 L432 | F361-F364 HydrophobicContact CB-CB 4.4Å; F361-F364 HydrophobicContact CB-CD2 3.88Å; F361-F364 HydrophobicContact CB-CG 4.4Å; F361-F364 HydrophobicContact CD1-CD2 4.27Å; F361-F364 HydrophobicContact CD1-CE2 4.24Å; F361-F364 WeakPolarHBondContact O-CB 3.4Å; F361-F364 PolarHBondContact O-N 3.44Å; E362-F364 PolarHBondContact O-N 2.99Å; F364-S385 CarbonylContact O-C 3.54Å; F364-S385 WeakPolarHBondContact O-CA 3.41Å; F364-S385 VanDerWaalsContact O-CB 3.3Å; F364-S385 WeakPolarHBondContact O-CB 3.35Å; F364-F386 HydrophobicContact CB-CD2 3.91Å; F364-F386 HydrophobicContact CB-CE2 3.82Å; F364-F386 WeakPolarHBondContact O-CD2 3.45Å; F364-F386 PolarHBondContact O-N 3.23Å; F364-M411 HydrophobicContact CB-SD 3.85Å; F364-M411 HydrophobicContact CD1-CG 4.04Å; F364-M411 HydrophobicContact CD1-SD 4.07Å; F364-M411 HydrophobicContact CG-SD 4.43Å; F364-A415 HydrophobicContact CE1-CB 3.76Å; F364-A415 HydrophobicContact CZ-CB 4.28Å; F364-I425 HydrophobicContact CZ-CG2 4.25Å; F364-K428 HydrophobicContact CE2-CB 3.69Å; F364-K428 HydrophobicContact CZ-CB 4.03Å; F364-A429 HydrophobicContact CE1-CB 4.08Å; F364-A429 HydrophobicContact CZ-CB 3.99Å; F364-L432 HydrophobicContact CD1-CD2 3.75Å; F364-L432 HydrophobicContact CE1-CD2 4.06Å; F364-L432 HydrophobicContact CG-CD2 4.14Å |
| 365 | V | 89.7 | Confident | 78.3 | Confident | 23 Ų | 23 | 83.3 Ų | 83.3 | 14% | 0.139 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -75.7 | -50.6 | -173.5 | 178.6 | 0 | 0 | 0 | 0 | 111.9 | R349 E362 S385 F386 L387 | R349-V365 VanDerWaalsContact CZ-CG2 3.44Å; E362-V365 WeakPolarHBondContact O-CB 3.45Å; E362-V365 VanDerWaalsContact O-CG2 3.27Å; E362-V365 WeakPolarHBondContact O-CG2 3.27Å; E362-V365 PolarHBondContact O-N 2.98Å; V365-S385 WeakPolarHBondContact O-CB 3.48Å; V365-S385 PolarHBondContact O-OG 2.87Å; V365-F386 HydrophobicContact CG2-CD2 4.39Å; V365-L387 HydrophobicContact CG1-CG 4.41Å; V365-L387 WeakPolarHBondContact O-CG 3.46Å; V365-L387 PolarHBondContact O-N 3.43Å |
| 366 | R | 90.5 | Very high | 80.2 | Confident | 197 Ų | 197 | 76.8 Ų | 76.8 | 74% | 0.743 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -105.4 | 158.7 | 179.9 | -64.3 | -177.8 | 176 | 178.5 | -0.9 | 110 | L387 | R366-L387 HydrophobicContact CG-CD1 3.85Š|
| 367 | L | 91.8 | Very high | 82 | Confident | 61 Ų | 61 | 73.4 Ų | 73.4 | 32% | 0.319 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -76.1 | 150.6 | 167.2 | -66.7 | 176 | 0 | 0 | 0 | 109.8 | D369 P383 V388 | L367-D369 PolarHBondContact O-N 3.16Å; L367-P383 HydrophobicContact CD1-CB 4.04Å; L367-P383 HydrophobicContact CD2-CB 3.7Å; L367-V388 HydrophobicContact CD1-CG2 4.22Å; L367-V388 HydrophobicContact CG-CG2 4.4Å |
| 368 | P | 87.5 | Confident | 84.1 | Confident | 39 Ų | 39 | 79 Ų | 79 | 25% | 0.253 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 137.3 | 172.7 | -23.9 | 34.8 | 0 | 0 | 0 | 111.3 | R370 Y373 Y376 Y377 | P368-R370 PolarHBondContact O-N 2.85Å; P368-Y373 HydrophobicContact CB-CD2 3.69Å; P368-Y373 HydrophobicContact CB-CE2 4.48Å; P368-Y373 HydrophobicContact CB-CG 4Å; P368-Y376 HydrophobicContact CB-CD1 4.47Å; P368-Y376 HydrophobicContact CB-CG 4.38Å; P368-Y376 HydrophobicContact CG-CD1 4.13Å; P368-Y376 HydrophobicContact CG-CD2 3.94Å; P368-Y376 HydrophobicContact CG-CE1 4.05Å; P368-Y376 HydrophobicContact CG-CE2 3.85Å; P368-Y376 HydrophobicContact CG-CG 4.09Å; P368-Y377 VanDerWaalsContact O-CE2 3.3Å; P368-Y377 WeakPolarHBondContact O-CE2 3.38Å; P368-Y377 PolarHBondContact O-OH 3.02Å |
| 369 | D | 85.4 | Confident | 85.6 | Confident | 84 Ų | 84 | 79.2 Ų | 79.2 | 45% | 0.449 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 126 | 179.3 | -174.5 | -19.2 | 0 | 0 | 0 | 110.3 | L367 K371 V372 Y373 | L367-D369 PolarHBondContact O-N 3.16Å; D369-K371 PolarHBondContact O-N 2.77Å; D369-K371 WeakPolarHBondContact OD1-CB 3.29Å; D369-K371 PolarHBondContact OD1-N 2.97Å; D369-V372 HydrophobicContact CB-CB 4.24Å; D369-V372 HydrophobicContact CB-CG2 3.99Å; D369-V372 PolarHBondContact O-N 3.42Å; D369-V372 VanDerWaalsContact O-N 3.09Å; D369-Y373 PolarHBondContact O-N 3.45Å |
| 370 | R | 87.2 | Confident | 87 | Confident | 183 Ų | 183 | 78.4 Ų | 78.4 | 69% | 0.691 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -22.5 | 180 | -165.3 | 175.8 | -171.8 | -149.5 | 2.4 | 113.5 | P368 Y377 | P368-R370 PolarHBondContact O-N 2.85Å; R370-Y377 HydrophobicContact CB-CD2 4.09Å; R370-Y377 HydrophobicContact CB-CE2 3.74Å; R370-Y377 HydrophobicContact CG-CD2 3.79Å; R370-Y377 HydrophobicContact CG-CE2 3.97Å; R370-Y377 HydrophobicContact CG-CG 4.18Å |
| 371 | K | 81.3 | Confident | 87.6 | Confident | 190 Ų | 190 | 81.9 Ų | 81.9 | 83% | 0.826 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -37.9 | 172.3 | -62.3 | 173.2 | -178.9 | 171.7 | 0 | 112 | D369 | D369-K371 PolarHBondContact O-N 2.77Å; D369-K371 WeakPolarHBondContact OD1-CB 3.29Å; D369-K371 PolarHBondContact OD1-N 2.97Å |
| 372 | V | 81.2 | Confident | 87.8 | Confident | 96 Ų | 96 | 88.2 Ų | 88.2 | 58% | 0.582 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -40.6 | -174.7 | -175.9 | 0 | 0 | 0 | 0 | 111.5 | D369 | D369-V372 HydrophobicContact CB-CB 4.24Å; D369-V372 HydrophobicContact CB-CG2 3.99Å; D369-V372 PolarHBondContact O-N 3.42Å; D369-V372 VanDerWaalsContact O-N 3.09Å |
| 373 | Y | 83.1 | Confident | 88.3 | Confident | 109 Ų | 109 | 85.2 Ų | 85.2 | 43% | 0.427 | 42% | 0.416 | S | S | . | . | trans | -117.2 | 53.6 | -174.4 | -58.8 | -78.9 | 0 | 0 | 0 | 111.1 | P368 D369 N375 Y376 | P368-Y373 HydrophobicContact CB-CD2 3.69Å; P368-Y373 HydrophobicContact CB-CE2 4.48Å; P368-Y373 HydrophobicContact CB-CG 4Å; D369-Y373 PolarHBondContact O-N 3.45Å; Y373-N375 PolarHBondContact O-N 2.95Å; Y373-Y376 VanDerWaalsContact O-CB 3.25Å; Y373-Y376 WeakPolarHBondContact O-CB 3.23Å; Y373-Y376 PolarHBondContact O-N 3.08Å | ||
| 374 | S | 83.3 | Confident | 88.7 | Confident | 72 Ų | 72 | 82 Ų | 82 | 50% | 0.503 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -32.1 | -178 | 60.1 | 0 | 0 | 0 | 0 | 113.4 | ||
| 375 | N | 88.5 | Confident | 88.8 | Confident | 66 Ų | 66 | 81.6 Ų | 81.6 | 35% | 0.353 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -27.2 | 174.6 | 67.1 | -19.3 | 0 | 0 | 0 | 114 | Y373 Y377 Q378 I379 Y418 | Y373-N375 PolarHBondContact O-N 2.95Å; N375-Y377 VanDerWaalsContact C-N 3.27Å; N375-Y377 PolarHBondContact O-N 3.26Å; N375-Q378 WeakPolarHBondContact O-CB 3.44Å; N375-Q378 PolarHBondContact O-N 3.34Å; N375-I379 WeakPolarHBondContact O-CG1 3.39Å; N375-I379 PolarHBondContact O-N 2.81Å; N375-I379 VanDerWaalsContact O-N 3.13Å; N375-Y418 PolarHBondContact ND2-OH 3.27Å; N375-Y418 PolarHBondContact OD1-OH 3.13Å |
| 376 | Y | 90.6 | Very high | 89 | Confident | 15 Ų | 15 | 80.5 Ų | 80.5 | 6% | 0.059 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -58 | -44.8 | 176.2 | 177.2 | -88.9 | 0 | 0 | 0 | 110.3 | P368 Y373 Q378 I379 I380 P383 Y418 | P368-Y376 HydrophobicContact CB-CD1 4.47Å; P368-Y376 HydrophobicContact CB-CG 4.38Å; P368-Y376 HydrophobicContact CG-CD1 4.13Å; P368-Y376 HydrophobicContact CG-CD2 3.94Å; P368-Y376 HydrophobicContact CG-CE1 4.05Å; P368-Y376 HydrophobicContact CG-CE2 3.85Å; P368-Y376 HydrophobicContact CG-CG 4.09Å; Y373-Y376 VanDerWaalsContact O-CB 3.25Å; Y373-Y376 WeakPolarHBondContact O-CB 3.23Å; Y373-Y376 PolarHBondContact O-N 3.08Å; Y376-Q378 PolarHBondContact O-N 2.95Å; Y376-I379 PolarHBondContact O-N 3.46Å; Y376-I380 HydrophobicContact CD1-CB 4.28Å; Y376-I380 HydrophobicContact CD1-CG1 4.4Å; Y376-I380 HydrophobicContact CD2-CG1 3.92Å; Y376-I380 HydrophobicContact CE1-CB 3.98Å; Y376-I380 HydrophobicContact CE1-CG1 4.18Å; Y376-I380 HydrophobicContact CE1-CG2 4.05Å; Y376-I380 HydrophobicContact CE2-CB 4.39Å; Y376-I380 HydrophobicContact CE2-CG1 3.68Å; Y376-I380 HydrophobicContact CG-CG1 4.28Å; Y376-I380 WeakPolarHBondContact O-CB 3.28Å; Y376-I380 PolarHBondContact O-N 3.42Å; Y376-P383 HydrophobicContact CE1-CB 4.19Å; Y376-P383 HydrophobicContact CE1-CG 4.34Å; Y376-Y418 VanDerWaalsContact CA-CE2 3.48Å; Y376-Y418 AromaticContact CD2-CD1 3.94Å; Y376-Y418 HydrophobicContact CD2-CD1 3.94Å; Y376-Y418 AromaticContact CD2-CD2 3.71Å; Y376-Y418 HydrophobicContact CD2-CD2 3.71Å; Y376-Y418 HydrophobicContact CD2-CE1 4.25Å; Y376-Y418 HydrophobicContact CD2-CE2 4.04Å; Y376-Y418 AromaticContact CD2-CG 3.65Å; Y376-Y418 HydrophobicContact CD2-CG 3.65Å; Y376-Y418 HydrophobicContact CE2-CG 4.26Å; Y376-Y418 HydrophobicContact CG-CD2 4.35Å; Y376-Y418 HydrophobicContact CG-CE2 4.37Å |
| 377 | Y | 91.5 | Very high | 88.9 | Confident | 69 Ų | 69 | 75.5 Ų | 75.5 | 27% | 0.271 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -74 | -1.6 | 178.2 | -64.6 | -88.9 | 0 | 0 | 0 | 114.4 | P368 R370 N375 P383 | P368-Y377 VanDerWaalsContact O-CE2 3.3Å; P368-Y377 WeakPolarHBondContact O-CE2 3.38Å; P368-Y377 PolarHBondContact O-OH 3.02Å; R370-Y377 HydrophobicContact CB-CD2 4.09Å; R370-Y377 HydrophobicContact CB-CE2 3.74Å; R370-Y377 HydrophobicContact CG-CD2 3.79Å; R370-Y377 HydrophobicContact CG-CE2 3.97Å; R370-Y377 HydrophobicContact CG-CG 4.18Å; N375-Y377 VanDerWaalsContact C-N 3.27Å; N375-Y377 PolarHBondContact O-N 3.26Å; Y377-P383 HydrophobicContact CD1-CG 4.01Å; Y377-P383 HydrophobicContact CE1-CB 4.39Å; Y377-P383 HydrophobicContact CE1-CG 3.91Å |
| 378 | Q | 88 | Confident | 89 | Confident | 161 Ų | 161 | 74.8 Ų | 74.8 | 75% | 0.752 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -98.1 | -31 | 170 | -60.1 | 170.9 | -0.1 | 0 | 0 | 111.3 | N375 Y376 | N375-Q378 WeakPolarHBondContact O-CB 3.44Å; N375-Q378 PolarHBondContact O-N 3.34Å; Y376-Q378 PolarHBondContact O-N 2.95Å |
| 379 | I | 89.9 | Confident | 89.3 | Confident | 70 Ų | 70 | 73 Ų | 73 | 36% | 0.359 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -90.7 | -34.9 | -178.4 | -62 | 166.8 | 0 | 0 | 0 | 111.4 | N375 Y376 K417 Y418 | N375-I379 WeakPolarHBondContact O-CG1 3.39Å; N375-I379 PolarHBondContact O-N 2.81Å; N375-I379 VanDerWaalsContact O-N 3.13Å; Y376-I379 PolarHBondContact O-N 3.46Å; I379-K417 HydrophobicContact CG2-CD 4.38Å; I379-K417 HydrophobicContact CG2-CG 4.22Å; I379-K417 WeakPolarHBondContact O-CE 3.47Å; I379-K417 PolarHBondContact O-NZ 3.29Å; I379-Y418 HydrophobicContact CD1-CD2 4.06Å; I379-Y418 HydrophobicContact CD1-CE2 4.14Å |
| 380 | I | 93.4 | Very high | 89.5 | Confident | 3 Ų | 3 | 70.9 Ų | 70.9 | 2% | 0.015 | 36% | 0.356 | C | S | . | . | trans | -106.3 | 102.6 | -175.3 | -56.7 | -53.1 | 0 | 0 | 0 | 110.2 | Y376 P383 N414 K417 | Y376-I380 HydrophobicContact CD1-CB 4.28Å; Y376-I380 HydrophobicContact CD1-CG1 4.4Å; Y376-I380 HydrophobicContact CD2-CG1 3.92Å; Y376-I380 HydrophobicContact CE1-CB 3.98Å; Y376-I380 HydrophobicContact CE1-CG1 4.18Å; Y376-I380 HydrophobicContact CE1-CG2 4.05Å; Y376-I380 HydrophobicContact CE2-CB 4.39Å; Y376-I380 HydrophobicContact CE2-CG1 3.68Å; Y376-I380 HydrophobicContact CG-CG1 4.28Å; Y376-I380 WeakPolarHBondContact O-CB 3.28Å; Y376-I380 PolarHBondContact O-N 3.42Å; I380-P383 HydrophobicContact CG2-CG 4.34Å; I380-N414 HydrophobicContact CD1-CB 4.19Å; I380-N414 HydrophobicContact CG2-CB 3.98Å; I380-N414 VanDerWaalsContact CG2-CG 3.45Å; I380-N414 WeakPolarHBondContact CG2-OD1 3.41Å; I380-K417 HydrophobicContact CD1-CB 3.98Å; I380-K417 HydrophobicContact CD1-CD 3.97Å; I380-K417 HydrophobicContact CD1-CG 4.12Å | ||
| 381 | A | 88.1 | Confident | 89.6 | Confident | 82 Ų | 82 | 67.9 Ų | 67.9 | 68% | 0.678 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -72.8 | -25.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 382 | H | 91.3 | Very high | 90.1 | Very high | 134 Ų | 134 | 61.1 Ų | 61.1 | 62% | 0.62 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -131.2 | 75.7 | -177 | -58.1 | 99.9 | 0 | 0 | 0 | 111.1 | L410 N414 | H382-L410 HydrophobicContact CB-CD1 4.24Å; H382-L410 HydrophobicContact CB-CD2 3.97Å; H382-N414 PolarHBondContact O-ND2 2.63Å |
| 383 | P | 92.7 | Very high | 90.5 | Very high | 38 Ų | 38 | 57.7 Ų | 57.7 | 25% | 0.247 | 30% | 0.297 | C | S | . | . | trans | -57.1 | 139.2 | 179.1 | -24.6 | 35.2 | 0 | 0 | 0 | 112.5 | L367 Y376 Y377 I380 | L367-P383 HydrophobicContact CD1-CB 4.04Å; L367-P383 HydrophobicContact CD2-CB 3.7Å; Y376-P383 HydrophobicContact CE1-CB 4.19Å; Y376-P383 HydrophobicContact CE1-CG 4.34Å; Y377-P383 HydrophobicContact CD1-CG 4.01Å; Y377-P383 HydrophobicContact CE1-CB 4.39Å; Y377-P383 HydrophobicContact CE1-CG 3.91Å; I380-P383 HydrophobicContact CG2-CG 4.34Å | ||
| 384 | M | 94.3 | Very high | 90.3 | Very high | 18 Ų | 18 | 56.5 Ų | 56.5 | 9% | 0.089 | 29% | 0.294 | C | S | . | . | trans | -145.3 | 142 | -176.6 | -170.9 | 56 | 65.3 | 0 | 0 | 110.4 | V388 V389 K392 D407 L410 M411 | M384-V388 HydrophobicContact CE-CG1 3.97Å; M384-V388 HydrophobicContact SD-CB 3.73Å; M384-V388 HydrophobicContact SD-CG1 3.54Å; M384-V388 VanDerWaalsContact SD-CG1 3.54Å; M384-V389 HydrophobicContact CG-CG2 4.39Å; M384-V389 HydrophobicContact SD-CG2 3.83Å; M384-K392 HydrophobicContact CE-CD 4.49Å; M384-D407 HydrophobicContact CE-CB 4.24Å; M384-D407 HydrophobicContact CG-CB 4.4Å; M384-D407 HydrophobicContact SD-CB 4.21Å; M384-L410 HydrophobicContact CB-CD2 4.37Å; M384-L410 HydrophobicContact CB-CG 4.26Å; M384-L410 HydrophobicContact CE-CD2 4.07Å; M384-M411 HydrophobicContact CB-CB 4.17Å; M384-M411 HydrophobicContact CB-CG 4.47Å; M384-M411 HydrophobicContact CG-CB 3.93Å; M384-M411 HydrophobicContact CG-CE 4.07Å; M384-M411 HydrophobicContact CG-CG 4.37Å | ||
| 385 | S | 94.6 | Very high | 90.5 | Very high | 3 Ų | 3 | 57.4 Ų | 57.4 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | trans | -154 | 168.2 | 176.6 | 85.9 | 0 | 0 | 0 | 0 | 110.6 | F364 V365 L387 V388 V389 | F364-S385 CarbonylContact O-C 3.54Å; F364-S385 WeakPolarHBondContact O-CA 3.41Å; F364-S385 VanDerWaalsContact O-CB 3.3Å; F364-S385 WeakPolarHBondContact O-CB 3.35Å; V365-S385 WeakPolarHBondContact O-CB 3.48Å; V365-S385 PolarHBondContact O-OG 2.87Å; S385-L387 PolarHBondContact O-N 2.91Å; S385-L387 PolarHBondContact OG-N 2.68Å; S385-V388 WeakPolarHBondContact O-CB 3.21Å; S385-V388 PolarHBondContact O-N 2.95Å; S385-V389 WeakPolarHBondContact O-CG2 3.37Å; S385-V389 PolarHBondContact O-N 2.88Å | ||
| 386 | F | 94.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 0% | 0.004 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.6 | -30.8 | 177.5 | -75.4 | -72.8 | 0 | 0 | 0 | 113.5 | Y345 L348 R349 F361 F364 V365 V389 N390 I408 M411 L432 | Y345-F386 HydrophobicContact CD2-CD1 4.21Å; Y345-F386 HydrophobicContact CE2-CB 4.31Å; Y345-F386 AromaticContact CE2-CD1 3.88Å; Y345-F386 HydrophobicContact CE2-CD1 3.88Å; L348-F386 HydrophobicContact CB-CE1 4Å; L348-F386 HydrophobicContact CB-CZ 4.2Å; R349-F386 HydrophobicContact CB-CD1 4.28Å; R349-F386 HydrophobicContact CB-CE1 4.28Å; F361-F386 HydrophobicContact CB-CE2 3.8Å; F361-F386 HydrophobicContact CB-CZ 4.35Å; F364-F386 HydrophobicContact CB-CD2 3.91Å; F364-F386 HydrophobicContact CB-CE2 3.82Å; F364-F386 WeakPolarHBondContact O-CD2 3.45Å; F364-F386 PolarHBondContact O-N 3.23Å; V365-F386 HydrophobicContact CG2-CD2 4.39Å; F386-V389 PolarHBondContact O-N 2.89Å; F386-N390 WeakPolarHBondContact O-CB 3.41Å; F386-N390 PolarHBondContact O-N 3.45Å; F386-I408 HydrophobicContact CE1-CD1 4.1Å; F386-M411 HydrophobicContact CD2-SD 4.43Å; F386-L432 HydrophobicContact CZ-CD1 3.91Å |
| 387 | L | 89.9 | Confident | 90 | Very high | 92 Ų | 92 | 61.7 Ų | 61.7 | 48% | 0.482 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66 | -41.1 | 172.8 | -73.6 | 176 | 0 | 0 | 0 | 112.5 | V365 R366 S385 N390 K391 | V365-L387 HydrophobicContact CG1-CG 4.41Å; V365-L387 WeakPolarHBondContact O-CG 3.46Å; V365-L387 PolarHBondContact O-N 3.43Å; R366-L387 HydrophobicContact CG-CD1 3.85Å; S385-L387 PolarHBondContact O-N 2.91Å; S385-L387 PolarHBondContact OG-N 2.68Å; L387-N390 PolarHBondContact O-N 2.86Å; L387-K391 PolarHBondContact O-N 3.04Å |
| 388 | V | 92.9 | Very high | 89.8 | Confident | 46 Ų | 46 | 59.2 Ų | 59.2 | 28% | 0.279 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 174.3 | -176.4 | 0 | 0 | 0 | 0 | 109.8 | L367 M384 S385 N390 K391 K392 | L367-V388 HydrophobicContact CD1-CG2 4.22Å; L367-V388 HydrophobicContact CG-CG2 4.4Å; M384-V388 HydrophobicContact CE-CG1 3.97Å; M384-V388 HydrophobicContact SD-CB 3.73Å; M384-V388 HydrophobicContact SD-CG1 3.54Å; M384-V388 VanDerWaalsContact SD-CG1 3.54Å; S385-V388 WeakPolarHBondContact O-CB 3.21Å; S385-V388 PolarHBondContact O-N 2.95Å; V388-N390 PolarHBondContact O-N 2.84Å; V388-K391 PolarHBondContact O-N 3.11Å; V388-K392 HydrophobicContact CG1-CD 4.39Å; V388-K392 WeakPolarHBondContact O-CG 3.45Å; V388-K392 PolarHBondContact O-N 2.91Å |
| 389 | V | 93.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.2 | -46.1 | 175.6 | 172.5 | 0 | 0 | 0 | 0 | 111.7 | Y345 M384 S385 F386 K391 K392 I393 Y398 L404 D407 I408 M411 | Y345-V389 HydrophobicContact CD2-CG1 3.74Å; Y345-V389 HydrophobicContact CE2-CG1 4.18Å; M384-V389 HydrophobicContact CG-CG2 4.39Å; M384-V389 HydrophobicContact SD-CG2 3.83Å; S385-V389 WeakPolarHBondContact O-CG2 3.37Å; S385-V389 PolarHBondContact O-N 2.88Å; F386-V389 PolarHBondContact O-N 2.89Å; V389-K391 VanDerWaalsContact C-N 3.32Å; V389-K391 PolarHBondContact O-N 2.85Å; V389-K392 CarbonylContact O-C 3.42Å; V389-K392 WeakPolarHBondContact O-CA 3.37Å; V389-K392 PolarHBondContact O-N 3.45Å; V389-K392 VanDerWaalsContact O-N 3.08Å; V389-I393 HydrophobicContact CG1-CD1 4.17Å; V389-I393 WeakPolarHBondContact O-CG1 3.34Å; V389-I393 PolarHBondContact O-N 2.92Å; V389-Y398 HydrophobicContact CG1-CE2 4.18Å; V389-L404 HydrophobicContact CG1-CD1 3.36Å; V389-D407 HydrophobicContact CG2-CB 4.26Å; V389-I408 HydrophobicContact CG2-CD1 4.48Å; V389-M411 HydrophobicContact CG2-CE 3.59Å |
| 390 | N | 90.5 | Very high | 89.1 | Confident | 41 Ų | 41 | 62 Ų | 62 | 22% | 0.219 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.1 | -37 | 178.3 | -170.1 | 38 | 0 | 0 | 0 | 112 | R342 Y345 F386 L387 V388 I393 K394 | R342-N390 PolarHBondContact NH1-OD1 3.13Å; Y345-N390 HydrophobicContact CE2-CB 4.02Å; F386-N390 WeakPolarHBondContact O-CB 3.41Å; F386-N390 PolarHBondContact O-N 3.45Å; L387-N390 PolarHBondContact O-N 2.86Å; V388-N390 PolarHBondContact O-N 2.84Å; N390-I393 PolarHBondContact O-N 2.54Å; N390-K394 PolarHBondContact O-N 2.82Å |
| 391 | K | 88.6 | Confident | 88.6 | Confident | 119 Ų | 119 | 63.3 Ų | 63.3 | 52% | 0.517 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.1 | -37.2 | 172.1 | -170.2 | 156.3 | -173.7 | 144.7 | 0 | 111.8 | L387 V388 V389 N395 | L387-K391 PolarHBondContact O-N 3.04Å; V388-K391 PolarHBondContact O-N 3.11Å; V389-K391 VanDerWaalsContact C-N 3.32Å; V389-K391 PolarHBondContact O-N 2.85Å; K391-N395 VanDerWaalsContact O-CB 3.25Å; K391-N395 WeakPolarHBondContact O-CB 2.82Å; K391-N395 PolarHBondContact O-N 2.82Å; K391-N395 PolarHBondContact O-OD1 2.88Å; K391-N395 VanDerWaalsContact O-OD1 3.1Å |
| 392 | K | 92.3 | Very high | 88.5 | Confident | 49 Ų | 49 | 63.4 Ų | 63.4 | 21% | 0.213 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -69.6 | -29.2 | 173 | -67.4 | -175.2 | 69.4 | 178.7 | 0 | 113.2 | M384 V388 V389 G396 Q397 Y398 D407 | M384-K392 HydrophobicContact CE-CD 4.49Å; V388-K392 HydrophobicContact CG1-CD 4.39Å; V388-K392 WeakPolarHBondContact O-CG 3.45Å; V388-K392 PolarHBondContact O-N 2.91Å; V389-K392 CarbonylContact O-C 3.42Å; V389-K392 WeakPolarHBondContact O-CA 3.37Å; V389-K392 PolarHBondContact O-N 3.45Å; V389-K392 VanDerWaalsContact O-N 3.08Å; K392-G396 PolarHBondContact O-N 2.87Å; K392-Q397 HydrophobicContact CB-CB 4.2Å; K392-Q397 VanDerWaalsContact CE-OE1 3.29Å; K392-Q397 WeakPolarHBondContact O-CB 3.3Å; K392-Q397 PolarHBondContact O-N 2.74Å; K392-Y398 HydrophobicContact CB-CD2 4.3Å; K392-Y398 HydrophobicContact CB-CE1 4.47Å; K392-Y398 HydrophobicContact CB-CE2 3.46Å; K392-Y398 VanDerWaalsContact CB-CE2 3.46Å; K392-Y398 WeakPolarHBondContact CB-OH 3.38Å; K392-D407 WeakPolarHBondContact CD-OD2 3.47Å; K392-D407 WeakPolarHBondContact CE-OD2 3.47Å; K392-D407 IonicContact NZ-OD1 3.55Å; K392-D407 PolarHBondContact NZ-OD1 3.09Å; K392-D407 IonicContact NZ-OD2 2.72Å; K392-D407 PolarHBondContact NZ-OD2 3.01Å |
| 393 | I | 88.3 | Confident | 88.4 | Confident | 24 Ų | 24 | 59.7 Ų | 59.7 | 12% | 0.123 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.5 | -53 | 170.3 | -67.2 | 171.7 | 0 | 0 | 0 | 110.9 | I341 Y345 V389 N390 N395 G396 Y398 | I341-I393 HydrophobicContact CG2-CG1 4.32Å; Y345-I393 VanDerWaalsContact CB-CD1 3.42Å; Y345-I393 HydrophobicContact CD1-CD1 4.1Å; Y345-I393 HydrophobicContact CD2-CD1 3.64Å; Y345-I393 HydrophobicContact CE2-CD1 4.45Å; Y345-I393 HydrophobicContact CG-CD1 3.43Å; Y345-I393 VanDerWaalsContact CG-CD1 3.43Å; V389-I393 HydrophobicContact CG1-CD1 4.17Å; V389-I393 WeakPolarHBondContact O-CG1 3.34Å; V389-I393 PolarHBondContact O-N 2.92Å; N390-I393 PolarHBondContact O-N 2.54Å; I393-N395 VanDerWaalsContact C-N 3.29Å; I393-N395 PolarHBondContact O-N 3.22Å; I393-G396 PolarHBondContact O-N 2.92Å; I393-G396 VanDerWaalsContact O-N 3.09Å; I393-Y398 HydrophobicContact CG1-CD2 3.68Å; I393-Y398 HydrophobicContact CG1-CE2 3.68Å |
| 394 | K | 80.4 | Confident | 88.4 | Confident | 84 Ų | 84 | 57.9 Ų | 57.9 | 37% | 0.365 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -52 | -49.6 | 174.6 | -81.2 | -167.2 | 168.8 | -161.3 | 0 | 110.7 | N390 G396 | N390-K394 PolarHBondContact O-N 2.82Å; K394-G396 PolarHBondContact O-N 2.88Å |
| 395 | N | 86.5 | Confident | 88.3 | Confident | 90 Ų | 90 | 57.7 Ų | 57.7 | 48% | 0.481 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 13.3 | -177.4 | -63.2 | 20.1 | 0 | 0 | 0 | 114 | K391 I393 Q397 | K391-N395 VanDerWaalsContact O-CB 3.25Å; K391-N395 WeakPolarHBondContact O-CB 2.82Å; K391-N395 PolarHBondContact O-N 2.82Å; K391-N395 PolarHBondContact O-OD1 2.88Å; K391-N395 VanDerWaalsContact O-OD1 3.1Å; I393-N395 VanDerWaalsContact C-N 3.29Å; I393-N395 PolarHBondContact O-N 3.22Å; N395-Q397 HydrophobicContact CB-CG 3.94Å; N395-Q397 WeakPolarHBondContact O-CG 3.44Å; N395-Q397 PolarHBondContact O-N 2.8Å; N395-Q397 VanDerWaalsContact O-N 3.13Å |
| 396 | G | 82.5 | Confident | 88.1 | Confident | 60 Ų | 60 | 61.5 Ų | 61.5 | 62% | 0.619 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.9 | 21.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | K392 I393 K394 Y398 | K392-G396 PolarHBondContact O-N 2.87Å; I393-G396 PolarHBondContact O-N 2.92Å; I393-G396 VanDerWaalsContact O-N 3.09Å; K394-G396 PolarHBondContact O-N 2.88Å; G396-Y398 VanDerWaalsContact C-N 3.31Å; G396-Y398 PolarHBondContact O-N 2.83Å |
| 397 | Q | 87 | Confident | 88.1 | Confident | 111 Ų | 111 | 62.2 Ų | 62.2 | 52% | 0.519 | 32% | 0.321 | S | S | . | . | trans | -81.2 | -7.8 | -168.6 | -58.5 | -169.2 | -0.5 | 0 | 0 | 114.4 | K392 N395 | K392-Q397 HydrophobicContact CB-CB 4.2Å; K392-Q397 VanDerWaalsContact CE-OE1 3.29Å; K392-Q397 WeakPolarHBondContact O-CB 3.3Å; K392-Q397 PolarHBondContact O-N 2.74Å; N395-Q397 HydrophobicContact CB-CG 3.94Å; N395-Q397 WeakPolarHBondContact O-CG 3.44Å; N395-Q397 PolarHBondContact O-N 2.8Å; N395-Q397 VanDerWaalsContact O-N 3.13Å | ||
| 398 | Y | 87 | Confident | 88.3 | Confident | 17 Ų | 17 | 57.9 Ų | 57.9 | 7% | 0.067 | 30% | 0.298 | C | S | . | . | trans | -104.6 | 123.5 | 175.1 | -56.5 | -63.6 | 0 | 0 | 0 | 109.8 | I341 V389 K392 I393 G396 D403 L404 D407 | I341-Y398 WeakPolarHBondContact CD1-O 3.4Å; I341-Y398 HydrophobicContact CG2-CD2 4.16Å; I341-Y398 HydrophobicContact CG2-CG 4.35Å; V389-Y398 HydrophobicContact CG1-CE2 4.18Å; K392-Y398 HydrophobicContact CB-CD2 4.3Å; K392-Y398 HydrophobicContact CB-CE1 4.47Å; K392-Y398 HydrophobicContact CB-CE2 3.46Å; K392-Y398 VanDerWaalsContact CB-CE2 3.46Å; K392-Y398 WeakPolarHBondContact CB-OH 3.38Å; I393-Y398 HydrophobicContact CG1-CD2 3.68Å; I393-Y398 HydrophobicContact CG1-CE2 3.68Å; G396-Y398 VanDerWaalsContact C-N 3.31Å; G396-Y398 PolarHBondContact O-N 2.83Å; Y398-D403 VanDerWaalsContact CD1-C 3.48Å; Y398-D403 HydrophobicContact CD1-CB 3.71Å; Y398-D403 WeakPolarHBondContact CE1-O 3.37Å; Y398-D403 HydrophobicContact CG-CB 4.46Å; Y398-L404 HydrophobicContact CD1-CB 4.2Å; Y398-L404 HydrophobicContact CE1-CB 4.41Å; Y398-L404 HydrophobicContact CE1-CD1 4.48Å; Y398-L404 HydrophobicContact CE2-CD1 4.07Å; Y398-L404 HydrophobicContact CG-CB 4.3Å; Y398-D407 HydrophobicContact CE1-CB 4.27Å; Y398-D407 WeakPolarHBondContact CE1-OD2 3.27Å; Y398-D407 VanDerWaalsContact CZ-OD2 3.23Å; Y398-D407 PolarHBondContact OH-OD2 2.81Å | ||
| 399 | R | 79.1 | Confident | 88.3 | Confident | 231 Ų | 231 | 61 Ų | 61 | 87% | 0.872 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -94.2 | -25.4 | 177.6 | -59.8 | -179.7 | 178.4 | -167.8 | -1.3 | 111.8 | D403 | R399-D403 WeakPolarHBondContact CA-OD2 3.47Å; R399-D403 WeakPolarHBondContact CB-OD2 3.34Å; R399-D403 PolarHBondContact N-OD2 3.08Å |
| 400 | T | 82.9 | Confident | 88.4 | Confident | 59 Ų | 59 | 63.3 Ų | 63.3 | 36% | 0.362 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -138.9 | 162.3 | -174.8 | 66.3 | 0 | 0 | 0 | 0 | 110.4 | T402 D403 | T400-T402 PolarHBondContact O-N 3.01Å; T400-T402 WeakPolarHBondContact OG1-CB 3.35Å; T400-T402 PolarHBondContact OG1-N 3.04Å; T400-D403 PolarHBondContact N-OD2 3.46Å; T400-D403 PolarHBondContact O-N 2.78Å; T400-D403 PolarHBondContact OG1-N 3.42Å; T400-D403 VanDerWaalsContact OG1-N 3.15Å; T400-D403 PolarHBondContact OG1-OD2 3.13Å |
| 401 | C | 84 | Confident | 88.6 | Confident | 30 Ų | 30 | 61.5 Ų | 61.5 | 20% | 0.203 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.6 | -27.8 | 167.5 | -64.7 | 0 | 0 | 0 | 0 | 112 | L344 D403 L404 L405 | L344-C401 HydrophobicContact CD2-CB 4.09Å; C401-D403 VanDerWaalsContact C-N 3.34Å; C401-D403 PolarHBondContact O-N 2.72Å; C401-L404 PolarHBondContact O-N 3.42Å; C401-L405 VanDerWaalsContact O-CG 3.31Å; C401-L405 WeakPolarHBondContact O-CG 3.4Å; C401-L405 PolarHBondContact O-N 3.17Å |
| 402 | T | 85.7 | Confident | 88.8 | Confident | 85 Ų | 85 | 55.9 Ų | 55.9 | 52% | 0.521 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.9 | -38.9 | 175.9 | -42.1 | 0 | 0 | 0 | 0 | 112.4 | T400 L404 L405 N406 | T400-T402 PolarHBondContact O-N 3.01Å; T400-T402 WeakPolarHBondContact OG1-CB 3.35Å; T400-T402 PolarHBondContact OG1-N 3.04Å; T402-L404 VanDerWaalsContact C-N 3.33Å; T402-L404 PolarHBondContact O-N 3.04Å; T402-L405 WeakPolarHBondContact O-CB 3.17Å; T402-L405 PolarHBondContact O-N 3.33Å; T402-N406 VanDerWaalsContact O-CG 3.25Å; T402-N406 PolarHBondContact O-N 3.05Å; T402-N406 PolarHBondContact O-ND2 2.79Å |
| 403 | D | 89.9 | Confident | 88.9 | Confident | 55 Ų | 55 | 56.4 Ų | 56.4 | 29% | 0.294 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.2 | -39.1 | 178.4 | -52.3 | -49.3 | 0 | 0 | 0 | 111.1 | Y398 R399 T400 C401 N406 D407 | Y398-D403 VanDerWaalsContact CD1-C 3.48Å; Y398-D403 HydrophobicContact CD1-CB 3.71Å; Y398-D403 WeakPolarHBondContact CE1-O 3.37Å; Y398-D403 HydrophobicContact CG-CB 4.46Å; R399-D403 WeakPolarHBondContact CA-OD2 3.47Å; R399-D403 WeakPolarHBondContact CB-OD2 3.34Å; R399-D403 PolarHBondContact N-OD2 3.08Å; T400-D403 PolarHBondContact N-OD2 3.46Å; T400-D403 PolarHBondContact O-N 2.78Å; T400-D403 PolarHBondContact OG1-N 3.42Å; T400-D403 VanDerWaalsContact OG1-N 3.15Å; T400-D403 PolarHBondContact OG1-OD2 3.13Å; C401-D403 VanDerWaalsContact C-N 3.34Å; C401-D403 PolarHBondContact O-N 2.72Å; D403-N406 PolarHBondContact O-N 3.46Å; D403-D407 PolarHBondContact O-N 3.16Å |
| 404 | L | 92 | Very high | 89.2 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.4 | -43.4 | 173.5 | 175.1 | 59 | 0 | 0 | 0 | 111.4 | I341 L344 V389 Y398 C401 T402 N406 D407 I408 | I341-L404 HydrophobicContact CG2-CB 4.26Å; I341-L404 HydrophobicContact CG2-CD2 3.77Å; I341-L404 WeakPolarHBondContact O-CD2 3.49Å; L344-L404 HydrophobicContact CB-CD2 3.97Å; L344-L404 HydrophobicContact CD2-CD2 3.95Å; L344-L404 HydrophobicContact CD2-CG 4.41Å; L344-L404 HydrophobicContact CG-CD2 3.93Å; V389-L404 HydrophobicContact CG1-CD1 3.36Å; Y398-L404 HydrophobicContact CD1-CB 4.2Å; Y398-L404 HydrophobicContact CE1-CB 4.41Å; Y398-L404 HydrophobicContact CE1-CD1 4.48Å; Y398-L404 HydrophobicContact CE2-CD1 4.07Å; Y398-L404 HydrophobicContact CG-CB 4.3Å; C401-L404 PolarHBondContact O-N 3.42Å; T402-L404 VanDerWaalsContact C-N 3.33Å; T402-L404 PolarHBondContact O-N 3.04Å; L404-N406 PolarHBondContact O-N 2.79Å; L404-D407 PolarHBondContact O-N 3.42Å; L404-D407 VanDerWaalsContact O-N 3.17Å; L404-I408 HydrophobicContact CD1-CG1 4.22Å; L404-I408 HydrophobicContact CG-CG1 4.47Å; L404-I408 WeakPolarHBondContact O-CG1 3.31Å; L404-I408 PolarHBondContact O-N 3.12Å |
| 405 | L | 91.5 | Very high | 89.7 | Confident | 15 Ų | 15 | 52.2 Ų | 52.2 | 8% | 0.079 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.2 | -36.5 | 174.9 | -74.9 | 173 | 0 | 0 | 0 | 112.4 | L344 C401 T402 I408 R409 A436 F437 A440 | L344-L405 HydrophobicContact CD2-CD2 4.4Å; L344-L405 HydrophobicContact CD2-CG 4.44Å; C401-L405 VanDerWaalsContact O-CG 3.31Å; C401-L405 WeakPolarHBondContact O-CG 3.4Å; C401-L405 PolarHBondContact O-N 3.17Å; T402-L405 WeakPolarHBondContact O-CB 3.17Å; T402-L405 PolarHBondContact O-N 3.33Å; L405-I408 PolarHBondContact O-N 3.41Å; L405-R409 VanDerWaalsContact O-CB 3.31Å; L405-R409 WeakPolarHBondContact O-CB 3.4Å; L405-R409 WeakPolarHBondContact O-CG 3.44Å; L405-R409 PolarHBondContact O-N 3.02Å; L405-A436 HydrophobicContact CD2-CB 3.67Å; L405-A436 WeakPolarHBondContact CD2-O 3.11Å; L405-F437 HydrophobicContact CD1-CD1 4.29Å; L405-F437 HydrophobicContact CD1-CE1 3.8Å; L405-F437 HydrophobicContact CD1-CZ 4.25Å; L405-F437 HydrophobicContact CD2-CE1 4.43Å; L405-F437 HydrophobicContact CD2-CZ 4.35Å; L405-A440 HydrophobicContact CD1-CB 3.78Å; L405-A440 HydrophobicContact CD2-CB 4.07Å; L405-A440 HydrophobicContact CG-CB 4.23Å |
| 406 | N | 91.6 | Very high | 90.1 | Very high | 83 Ų | 83 | 51.3 Ų | 51.3 | 44% | 0.444 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.6 | -38.3 | 177.9 | -71 | -28.7 | 0 | 0 | 0 | 112.5 | T402 D403 L404 R409 L410 | T402-N406 VanDerWaalsContact O-CG 3.25Å; T402-N406 PolarHBondContact O-N 3.05Å; T402-N406 PolarHBondContact O-ND2 2.79Å; D403-N406 PolarHBondContact O-N 3.46Å; L404-N406 PolarHBondContact O-N 2.79Å; N406-R409 WeakPolarHBondContact O-CB 3.14Å; N406-L410 WeakPolarHBondContact O-CB 3.18Å; N406-L410 PolarHBondContact O-N 2.84Å |
| 407 | D | 94.4 | Very high | 90.6 | Very high | 16 Ų | 16 | 54.9 Ų | 54.9 | 9% | 0.086 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -74.5 | -35.5 | 174.7 | -83.1 | -11.9 | 0 | 0 | 0 | 112.8 | M384 V389 K392 Y398 D403 L404 R409 L410 M411 | M384-D407 HydrophobicContact CE-CB 4.24Å; M384-D407 HydrophobicContact CG-CB 4.4Å; M384-D407 HydrophobicContact SD-CB 4.21Å; V389-D407 HydrophobicContact CG2-CB 4.26Å; K392-D407 WeakPolarHBondContact CD-OD2 3.47Å; K392-D407 WeakPolarHBondContact CE-OD2 3.47Å; K392-D407 IonicContact NZ-OD1 3.55Å; K392-D407 PolarHBondContact NZ-OD1 3.09Å; K392-D407 IonicContact NZ-OD2 2.72Å; K392-D407 PolarHBondContact NZ-OD2 3.01Å; Y398-D407 HydrophobicContact CE1-CB 4.27Å; Y398-D407 WeakPolarHBondContact CE1-OD2 3.27Å; Y398-D407 VanDerWaalsContact CZ-OD2 3.23Å; Y398-D407 PolarHBondContact OH-OD2 2.81Å; D403-D407 PolarHBondContact O-N 3.16Å; L404-D407 PolarHBondContact O-N 3.42Å; L404-D407 VanDerWaalsContact O-N 3.17Å; D407-R409 VanDerWaalsContact C-N 3.31Å; D407-L410 PolarHBondContact O-N 2.87Å; D407-M411 WeakPolarHBondContact O-CB 3.29Å; D407-M411 PolarHBondContact O-N 3Å |
| 408 | I | 94.1 | Very high | 90.9 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.1 | -37.8 | 172.5 | -61 | -65.2 | 0 | 0 | 0 | 110.6 | L348 F386 V389 L404 L405 M411 S412 L432 A436 | L348-I408 HydrophobicContact CD1-CD1 4.19Å; L348-I408 HydrophobicContact CD1-CG1 4.07Å; L348-I408 HydrophobicContact CD1-CG2 4.42Å; F386-I408 HydrophobicContact CE1-CD1 4.1Å; V389-I408 HydrophobicContact CG2-CD1 4.48Å; L404-I408 HydrophobicContact CD1-CG1 4.22Å; L404-I408 HydrophobicContact CG-CG1 4.47Å; L404-I408 WeakPolarHBondContact O-CG1 3.31Å; L404-I408 PolarHBondContact O-N 3.12Å; L405-I408 PolarHBondContact O-N 3.41Å; I408-M411 HydrophobicContact CD1-CE 3.9Å; I408-M411 WeakPolarHBondContact O-CB 3.46Å; I408-M411 PolarHBondContact O-N 3.48Å; I408-S412 WeakPolarHBondContact O-CB 3.45Å; I408-S412 PolarHBondContact O-N 3.25Å; I408-S412 PolarHBondContact O-OG 2.84Å; I408-L432 HydrophobicContact CG2-CD1 4.19Å; I408-L432 HydrophobicContact CG2-CD2 4.33Å; I408-L432 HydrophobicContact CG2-CG 3.89Å; I408-A436 HydrophobicContact CG2-CB 3.79Å |
| 409 | R | 92.9 | Very high | 91 | Very high | 111 Ų | 111 | 53.8 Ų | 53.8 | 42% | 0.419 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 169.7 | -84.2 | -176.3 | 148.2 | 159.6 | 2.3 | 112.6 | L405 N406 D407 M411 S412 S413 E433 F437 | L405-R409 VanDerWaalsContact O-CB 3.31Å; L405-R409 WeakPolarHBondContact O-CB 3.4Å; L405-R409 WeakPolarHBondContact O-CG 3.44Å; L405-R409 PolarHBondContact O-N 3.02Å; N406-R409 WeakPolarHBondContact O-CB 3.14Å; D407-R409 VanDerWaalsContact C-N 3.31Å; R409-M411 VanDerWaalsContact C-N 3.35Å; R409-S412 PolarHBondContact O-N 2.99Å; R409-S413 WeakPolarHBondContact O-CB 3.4Å; R409-S413 PolarHBondContact O-N 3.27Å; R409-E433 HydrophobicContact CG-CG 4.29Å; R409-E433 WeakPolarHBondContact CG-OE1 3.37Å; R409-E433 IonicContact CZ-OE1 3.27Å; R409-E433 IonicContact NE-OE1 3.42Å; R409-E433 PolarHBondContact NE-OE1 2.76Å; R409-E433 IonicContact NH2-OE1 2.74Å; R409-F437 HydrophobicContact CG-CE2 4.25Å |
| 410 | L | 94.9 | Very high | 91.3 | Very high | 48 Ų | 48 | 50.5 Ų | 50.5 | 25% | 0.251 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61 | -45.2 | 175.9 | 175.8 | 58.8 | 0 | 0 | 0 | 111 | H382 M384 N406 D407 S412 S413 N414 | H382-L410 HydrophobicContact CB-CD1 4.24Å; H382-L410 HydrophobicContact CB-CD2 3.97Å; M384-L410 HydrophobicContact CB-CD2 4.37Å; M384-L410 HydrophobicContact CB-CG 4.26Å; M384-L410 HydrophobicContact CE-CD2 4.07Å; N406-L410 WeakPolarHBondContact O-CB 3.18Å; N406-L410 PolarHBondContact O-N 2.84Å; D407-L410 PolarHBondContact O-N 2.87Å; L410-S412 PolarHBondContact O-N 3.49Å; L410-S413 PolarHBondContact O-N 2.8Å; L410-N414 WeakPolarHBondContact O-CB 3.49Å; L410-N414 PolarHBondContact O-N 2.76Å; L410-N414 PolarHBondContact O-ND2 2.69Å |
| 411 | M | 94.9 | Very high | 91.4 | Very high | 4 Ų | 4 | 54.3 Ų | 54.3 | 2% | 0.02 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.9 | -47.4 | 175.1 | -163.1 | -170.9 | -54.7 | 0 | 0 | 111.8 | F364 M384 F386 V389 D407 I408 R409 N414 A415 L432 | F364-M411 HydrophobicContact CB-SD 3.85Å; F364-M411 HydrophobicContact CD1-CG 4.04Å; F364-M411 HydrophobicContact CD1-SD 4.07Å; F364-M411 HydrophobicContact CG-SD 4.43Å; M384-M411 HydrophobicContact CB-CB 4.17Å; M384-M411 HydrophobicContact CB-CG 4.47Å; M384-M411 HydrophobicContact CG-CB 3.93Å; M384-M411 HydrophobicContact CG-CE 4.07Å; M384-M411 HydrophobicContact CG-CG 4.37Å; F386-M411 HydrophobicContact CD2-SD 4.43Å; V389-M411 HydrophobicContact CG2-CE 3.59Å; D407-M411 WeakPolarHBondContact O-CB 3.29Å; D407-M411 PolarHBondContact O-N 3Å; I408-M411 HydrophobicContact CD1-CE 3.9Å; I408-M411 WeakPolarHBondContact O-CB 3.46Å; I408-M411 PolarHBondContact O-N 3.48Å; R409-M411 VanDerWaalsContact C-N 3.35Å; M411-N414 PolarHBondContact O-N 3.15Å; M411-A415 PolarHBondContact O-N 3Å; M411-A415 VanDerWaalsContact O-N 3.12Å; M411-L432 HydrophobicContact SD-CD2 4.09Å |
| 412 | S | 93.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.3 | -40 | 178.3 | -53.1 | 0 | 0 | 0 | 0 | 112.3 | I408 R409 L410 A415 R416 A429 | I408-S412 WeakPolarHBondContact O-CB 3.45Å; I408-S412 PolarHBondContact O-N 3.25Å; I408-S412 PolarHBondContact O-OG 2.84Å; R409-S412 PolarHBondContact O-N 2.99Å; L410-S412 PolarHBondContact O-N 3.49Å; S412-A415 PolarHBondContact O-N 2.73Å; S412-R416 PolarHBondContact O-N 2.66Å; S412-A429 WeakPolarHBondContact CB-O 2.88Å; S412-A429 PolarHBondContact OG-O 2.89Å |
| 413 | S | 93.7 | Very high | 91.4 | Very high | 60 Ų | 60 | 56.9 Ų | 56.9 | 42% | 0.42 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.2 | -40.9 | 176.9 | -169.7 | 0 | 0 | 0 | 0 | 112.2 | R409 L410 A415 R416 K417 | R409-S413 WeakPolarHBondContact O-CB 3.4Å; R409-S413 PolarHBondContact O-N 3.27Å; L410-S413 PolarHBondContact O-N 2.8Å; S413-A415 VanDerWaalsContact C-N 3.33Å; S413-A415 PolarHBondContact O-N 3.08Å; S413-R416 PolarHBondContact O-N 2.78Å; S413-K417 VanDerWaalsContact O-CB 3.3Å; S413-K417 WeakPolarHBondContact O-CB 3.48Å; S413-K417 PolarHBondContact O-N 2.88Å |
| 414 | N | 94.2 | Very high | 91.1 | Very high | 11 Ų | 11 | 58.6 Ų | 58.6 | 6% | 0.059 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.1 | -43.1 | 174 | -70.6 | -21.6 | 0 | 0 | 0 | 111.4 | I380 H382 L410 M411 K417 Y418 | I380-N414 HydrophobicContact CD1-CB 4.19Å; I380-N414 HydrophobicContact CG2-CB 3.98Å; I380-N414 VanDerWaalsContact CG2-CG 3.45Å; I380-N414 WeakPolarHBondContact CG2-OD1 3.41Å; H382-N414 PolarHBondContact O-ND2 2.63Å; L410-N414 WeakPolarHBondContact O-CB 3.49Å; L410-N414 PolarHBondContact O-N 2.76Å; L410-N414 PolarHBondContact O-ND2 2.69Å; M411-N414 PolarHBondContact O-N 3.15Å; N414-K417 PolarHBondContact O-N 3.38Å; N414-Y418 PolarHBondContact O-N 2.91Å; N414-Y418 VanDerWaalsContact O-N 3.16Å |
| 415 | A | 92.1 | Very high | 91 | Very high | 9 Ų | 9 | 61.4 Ų | 61.4 | 7% | 0.074 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.7 | -46.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F364 M411 S412 S413 K417 Y418 N419 I425 A429 | F364-A415 HydrophobicContact CE1-CB 3.76Å; F364-A415 HydrophobicContact CZ-CB 4.28Å; M411-A415 PolarHBondContact O-N 3Å; M411-A415 VanDerWaalsContact O-N 3.12Å; S412-A415 PolarHBondContact O-N 2.73Å; S413-A415 VanDerWaalsContact C-N 3.33Å; S413-A415 PolarHBondContact O-N 3.08Å; A415-K417 VanDerWaalsContact C-N 3.34Å; A415-K417 PolarHBondContact O-N 3.43Å; A415-Y418 PolarHBondContact O-N 3.23Å; A415-N419 WeakPolarHBondContact O-CB 3.46Å; A415-N419 PolarHBondContact O-N 2.75Å; A415-N419 PolarHBondContact O-ND2 2.9Å; A415-I425 HydrophobicContact CB-CG2 4.16Å; A415-A429 HydrophobicContact CB-CB 3.7Å |
| 416 | R | 93.9 | Very high | 91.1 | Very high | 71 Ų | 71 | 62.6 Ų | 62.6 | 27% | 0.268 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.1 | -30.6 | 175.3 | -71.6 | -167.7 | -63.6 | -118.9 | -1.9 | 113.9 | S412 S413 Y426 A429 E433 | S412-R416 PolarHBondContact O-N 2.66Å; S413-R416 PolarHBondContact O-N 2.78Å; R416-Y426 HydrophobicContact CB-CD2 3.9Å; R416-Y426 HydrophobicContact CB-CE2 3.73Å; R416-Y426 HydrophobicContact CG-CD1 4.34Å; R416-Y426 HydrophobicContact CG-CD2 3.82Å; R416-Y426 HydrophobicContact CG-CE1 4.31Å; R416-Y426 HydrophobicContact CG-CE2 3.78Å; R416-Y426 HydrophobicContact CG-CG 4.1Å; R416-A429 HydrophobicContact CG-CB 4.13Å; R416-E433 IonicContact CZ-OE2 2.78Å; R416-E433 VanDerWaalsContact CZ-OE2 3.26Å; R416-E433 IonicContact NH1-OE2 3.93Å; R416-E433 PolarHBondContact NH1-OE2 3.2Å; R416-E433 IonicContact NH2-OE2 3.26Å; R416-E433 PolarHBondContact NH2-OE2 3.03Å |
| 417 | K | 92.8 | Very high | 90.9 | Very high | 135 Ų | 135 | 63.4 Ų | 63.4 | 59% | 0.587 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -76.9 | -29.1 | 179.8 | -173.9 | 179.3 | 178.9 | -161.2 | 0 | 113.3 | I379 I380 S413 N414 A415 | I379-K417 HydrophobicContact CG2-CD 4.38Å; I379-K417 HydrophobicContact CG2-CG 4.22Å; I379-K417 WeakPolarHBondContact O-CE 3.47Å; I379-K417 PolarHBondContact O-NZ 3.29Å; I380-K417 HydrophobicContact CD1-CB 3.98Å; I380-K417 HydrophobicContact CD1-CD 3.97Å; I380-K417 HydrophobicContact CD1-CG 4.12Å; S413-K417 VanDerWaalsContact O-CB 3.3Å; S413-K417 WeakPolarHBondContact O-CB 3.48Å; S413-K417 PolarHBondContact O-N 2.88Å; N414-K417 PolarHBondContact O-N 3.38Å; A415-K417 VanDerWaalsContact C-N 3.34Å; A415-K417 PolarHBondContact O-N 3.43Å |
| 418 | Y | 93.2 | Very high | 90.7 | Very high | 63 Ų | 63 | 64.4 Ų | 64.4 | 25% | 0.247 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -95.9 | -32.8 | -178.1 | -174 | -98 | 0 | 0 | 0 | 113.7 | N375 Y376 I379 N414 A415 | N375-Y418 PolarHBondContact ND2-OH 3.27Å; N375-Y418 PolarHBondContact OD1-OH 3.13Å; Y376-Y418 VanDerWaalsContact CA-CE2 3.48Å; Y376-Y418 AromaticContact CD2-CD1 3.94Å; Y376-Y418 HydrophobicContact CD2-CD1 3.94Å; Y376-Y418 AromaticContact CD2-CD2 3.71Å; Y376-Y418 HydrophobicContact CD2-CD2 3.71Å; Y376-Y418 HydrophobicContact CD2-CE1 4.25Å; Y376-Y418 HydrophobicContact CD2-CE2 4.04Å; Y376-Y418 AromaticContact CD2-CG 3.65Å; Y376-Y418 HydrophobicContact CD2-CG 3.65Å; Y376-Y418 HydrophobicContact CE2-CG 4.26Å; Y376-Y418 HydrophobicContact CG-CD2 4.35Å; Y376-Y418 HydrophobicContact CG-CE2 4.37Å; I379-Y418 HydrophobicContact CD1-CD2 4.06Å; I379-Y418 HydrophobicContact CD1-CE2 4.14Å; N414-Y418 PolarHBondContact O-N 2.91Å; N414-Y418 VanDerWaalsContact O-N 3.16Å; A415-Y418 PolarHBondContact O-N 3.23Å |
| 419 | N | 90.7 | Very high | 90.6 | Very high | 43 Ų | 43 | 64.4 Ų | 64.4 | 23% | 0.23 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -100.9 | 156.1 | -176.1 | -57.1 | -83.9 | 0 | 0 | 0 | 111.7 | A415 S423 I425 | A415-N419 WeakPolarHBondContact O-CB 3.46Å; A415-N419 PolarHBondContact O-N 2.75Å; A415-N419 PolarHBondContact O-ND2 2.9Å; N419-S423 WeakPolarHBondContact CB-OG 3.48Å; N419-I425 WeakPolarHBondContact ND2-CG2 3.24Å |
| 420 | K | 84.6 | Confident | 90.5 | Very high | 161 Ų | 161 | 62.7 Ų | 62.7 | 70% | 0.7 | 31% | 0.309 | S | S | * | . | trans | -72.8 | 153.6 | 175.4 | -62.4 | -176 | -179.5 | -178.9 | 0 | 111.3 | N422 S423 Y426 | K420-N422 VanDerWaalsContact C-N 3.28Å; K420-N422 PolarHBondContact O-N 3.45Å; K420-S423 VanDerWaalsContact O-CB 3.29Å; K420-S423 WeakPolarHBondContact O-CB 3.26Å; K420-S423 PolarHBondContact O-N 2.87Å; K420-S423 VanDerWaalsContact O-N 3.13Å; K420-S423 PolarHBondContact O-OG 3.12Å; K420-Y426 WeakPolarHBondContact O-CB 3.43Å | ||
| 421 | E | 84.3 | Confident | 90.3 | Very high | 139 Ų | 139 | 65.9 Ų | 65.9 | 65% | 0.65 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -39.6 | -175.8 | -46.6 | -158.2 | 119 | 0 | 0 | 113 | S423 Y426 | E421-S423 PolarHBondContact O-N 2.81Å; E421-Y426 HydrophobicContact CB-CD1 4.34Å; E421-Y426 HydrophobicContact CB-CD2 4.46Å; E421-Y426 HydrophobicContact CB-CE1 3.97Å; E421-Y426 HydrophobicContact CB-CE2 4.1Å; E421-Y426 HydrophobicContact CG-CD2 4.48Å; E421-Y426 HydrophobicContact CG-CE1 4.35Å; E421-Y426 HydrophobicContact CG-CE2 3.78Å; E421-Y426 VanDerWaalsContact O-CD1 3.3Å; E421-Y426 WeakPolarHBondContact O-CD1 3.24Å; E421-Y426 PolarHBondContact OE1-OH 3.16Å |
| 422 | N | 81 | Confident | 90.2 | Very high | 140 Ų | 140 | 65.7 Ų | 65.7 | 75% | 0.749 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | 45.2 | 175.1 | 52.7 | -5.2 | 0 | 0 | 0 | 112.6 | K420 | K420-N422 VanDerWaalsContact C-N 3.28Å; K420-N422 PolarHBondContact O-N 3.45Å |
| 423 | S | 88.1 | Confident | 90 | Very high | 29 Ų | 29 | 67.2 Ų | 67.2 | 20% | 0.203 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -125.5 | 144.7 | 172.4 | 71.4 | 0 | 0 | 0 | 0 | 111.5 | N419 K420 E421 I425 Y426 E427 | N419-S423 WeakPolarHBondContact CB-OG 3.48Å; K420-S423 VanDerWaalsContact O-CB 3.29Å; K420-S423 WeakPolarHBondContact O-CB 3.26Å; K420-S423 PolarHBondContact O-N 2.87Å; K420-S423 VanDerWaalsContact O-N 3.13Å; K420-S423 PolarHBondContact O-OG 3.12Å; E421-S423 PolarHBondContact O-N 2.81Å; S423-I425 PolarHBondContact O-N 3.27Å; S423-I425 VanDerWaalsContact O-N 3.11Å; S423-Y426 WeakPolarHBondContact O-CA 3.45Å; S423-Y426 WeakPolarHBondContact O-CB 3.31Å; S423-Y426 PolarHBondContact O-N 3.13Å; S423-Y426 WeakPolarHBondContact OG-CB 3.25Å; S423-Y426 PolarHBondContact OG-N 2.9Å; S423-E427 PolarHBondContact O-N 3.13Å |
| 424 | V | 85.1 | Confident | 89.7 | Confident | 91 Ų | 91 | 69 Ų | 69 | 55% | 0.552 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -55.1 | -34.1 | -179.3 | -176.5 | 0 | 0 | 0 | 0 | 111.9 | K428 | V424-K428 HydrophobicContact CG1-CD 4.05Å; V424-K428 HydrophobicContact CG1-CG 4.38Å; V424-K428 VanDerWaalsContact O-CB 3.27Å; V424-K428 WeakPolarHBondContact O-CB 3.3Å; V424-K428 VanDerWaalsContact O-CG 3.23Å; V424-K428 WeakPolarHBondContact O-CG 3.18Å; V424-K428 PolarHBondContact O-N 3.4Å |
| 425 | I | 89.5 | Confident | 89.5 | Confident | 60 Ų | 60 | 69.9 Ų | 69.9 | 31% | 0.308 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -69.9 | -36.8 | 177.4 | -59.2 | 175.5 | 0 | 0 | 0 | 111.5 | E363 F364 A415 N419 S423 A429 | E363-I425 HydrophobicContact CG-CG1 4.42Å; F364-I425 HydrophobicContact CZ-CG2 4.25Å; A415-I425 HydrophobicContact CB-CG2 4.16Å; N419-I425 WeakPolarHBondContact ND2-CG2 3.24Å; S423-I425 PolarHBondContact O-N 3.27Å; S423-I425 VanDerWaalsContact O-N 3.11Å; I425-A429 WeakPolarHBondContact O-CB 3.25Å; I425-A429 PolarHBondContact O-N 3.02Å |
| 426 | Y | 93 | Very high | 89.5 | Confident | 39 Ų | 39 | 69.5 Ų | 69.5 | 15% | 0.153 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -70.5 | -43.1 | 176.1 | -172.5 | -73.4 | 0 | 0 | 0 | 111.2 | R416 K420 E421 S423 A429 I430 | R416-Y426 HydrophobicContact CB-CD2 3.9Å; R416-Y426 HydrophobicContact CB-CE2 3.73Å; R416-Y426 HydrophobicContact CG-CD1 4.34Å; R416-Y426 HydrophobicContact CG-CD2 3.82Å; R416-Y426 HydrophobicContact CG-CE1 4.31Å; R416-Y426 HydrophobicContact CG-CE2 3.78Å; R416-Y426 HydrophobicContact CG-CG 4.1Å; K420-Y426 WeakPolarHBondContact O-CB 3.43Å; E421-Y426 HydrophobicContact CB-CD1 4.34Å; E421-Y426 HydrophobicContact CB-CD2 4.46Å; E421-Y426 HydrophobicContact CB-CE1 3.97Å; E421-Y426 HydrophobicContact CB-CE2 4.1Å; E421-Y426 HydrophobicContact CG-CD2 4.48Å; E421-Y426 HydrophobicContact CG-CE1 4.35Å; E421-Y426 HydrophobicContact CG-CE2 3.78Å; E421-Y426 VanDerWaalsContact O-CD1 3.3Å; E421-Y426 WeakPolarHBondContact O-CD1 3.24Å; E421-Y426 PolarHBondContact OE1-OH 3.16Å; S423-Y426 WeakPolarHBondContact O-CA 3.45Å; S423-Y426 WeakPolarHBondContact O-CB 3.31Å; S423-Y426 PolarHBondContact O-N 3.13Å; S423-Y426 WeakPolarHBondContact OG-CB 3.25Å; S423-Y426 PolarHBondContact OG-N 2.9Å; Y426-A429 WeakPolarHBondContact O-CB 3.33Å; Y426-A429 PolarHBondContact O-N 3.26Å; Y426-I430 HydrophobicContact CD1-CD1 3.92Å; Y426-I430 HydrophobicContact CE1-CD1 3.64Å; Y426-I430 HydrophobicContact CE1-CG1 4.44Å; Y426-I430 PolarHBondContact O-N 3.45Å; Y426-I430 VanDerWaalsContact O-N 3.12Å |
| 427 | E | 87.3 | Confident | 89.2 | Confident | 100 Ų | 100 | 69.7 Ų | 69.7 | 47% | 0.467 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61 | -47.5 | 173.6 | -68.4 | -176.5 | -170.9 | 0 | 0 | 111.9 | S423 A429 I430 R431 | S423-E427 PolarHBondContact O-N 3.13Å; E427-A429 VanDerWaalsContact C-N 3.27Å; E427-A429 PolarHBondContact O-N 3.03Å; E427-I430 PolarHBondContact O-N 3.18Å; E427-I430 VanDerWaalsContact O-N 3.12Å; E427-R431 PolarHBondContact O-N 3.44Å |
| 428 | K | 90.4 | Very high | 88.8 | Confident | 38 Ų | 38 | 65.4 Ų | 65.4 | 17% | 0.165 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.3 | -35.9 | 174.6 | -76.6 | 177.5 | 167 | -166 | 0 | 112.2 | T360 F361 E363 F364 V424 I430 R431 L432 | T360-K428 WeakPolarHBondContact O-CD 3.06Å; T360-K428 WeakPolarHBondContact O-CE 3.28Å; T360-K428 PolarHBondContact O-NZ 2.81Å; T360-K428 VanDerWaalsContact O-NZ 3.16Å; F361-K428 HydrophobicContact CD1-CB 4.23Å; F361-K428 HydrophobicContact CE1-CB 4.27Å; F361-K428 VanDerWaalsContact CE1-O 3.28Å; F361-K428 WeakPolarHBondContact CE1-O 3.19Å; E363-K428 IonicContact OE1-NZ 3.34Å; E363-K428 PolarHBondContact OE1-NZ 3.4Å; E363-K428 WeakPolarHBondContact OE2-CD 3.24Å; E363-K428 IonicContact OE2-NZ 2.8Å; E363-K428 PolarHBondContact OE2-NZ 2.73Å; F364-K428 HydrophobicContact CE2-CB 3.69Å; F364-K428 HydrophobicContact CZ-CB 4.03Å; V424-K428 HydrophobicContact CG1-CD 4.05Å; V424-K428 HydrophobicContact CG1-CG 4.38Å; V424-K428 VanDerWaalsContact O-CB 3.27Å; V424-K428 WeakPolarHBondContact O-CB 3.3Å; V424-K428 VanDerWaalsContact O-CG 3.23Å; V424-K428 WeakPolarHBondContact O-CG 3.18Å; V424-K428 PolarHBondContact O-N 3.4Å; K428-I430 VanDerWaalsContact C-N 3.33Å; K428-I430 PolarHBondContact O-N 3.22Å; K428-R431 PolarHBondContact O-N 3.21Å; K428-L432 VanDerWaalsContact O-CB 3.31Å; K428-L432 WeakPolarHBondContact O-CB 3.37Å; K428-L432 PolarHBondContact O-N 2.95Å |
| 429 | A | 92.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.5 | -35.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | F364 S412 A415 R416 I425 Y426 E427 E433 | F364-A429 HydrophobicContact CE1-CB 4.08Å; F364-A429 HydrophobicContact CZ-CB 3.99Å; S412-A429 WeakPolarHBondContact CB-O 2.88Å; S412-A429 PolarHBondContact OG-O 2.89Å; A415-A429 HydrophobicContact CB-CB 3.7Å; R416-A429 HydrophobicContact CG-CB 4.13Å; I425-A429 WeakPolarHBondContact O-CB 3.25Å; I425-A429 PolarHBondContact O-N 3.02Å; Y426-A429 WeakPolarHBondContact O-CB 3.33Å; Y426-A429 PolarHBondContact O-N 3.26Å; E427-A429 VanDerWaalsContact C-N 3.27Å; E427-A429 PolarHBondContact O-N 3.03Å; A429-E433 PolarHBondContact O-N 2.88Å |
| 430 | I | 89.9 | Confident | 88.4 | Confident | 76 Ų | 76 | 63 Ų | 63 | 39% | 0.39 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.4 | -47.9 | 172.3 | -67.1 | 171.7 | 0 | 0 | 0 | 110.6 | Y426 E427 K428 L432 E433 V434 | Y426-I430 HydrophobicContact CD1-CD1 3.92Å; Y426-I430 HydrophobicContact CE1-CD1 3.64Å; Y426-I430 HydrophobicContact CE1-CG1 4.44Å; Y426-I430 PolarHBondContact O-N 3.45Å; Y426-I430 VanDerWaalsContact O-N 3.12Å; E427-I430 PolarHBondContact O-N 3.18Å; E427-I430 VanDerWaalsContact O-N 3.12Å; K428-I430 VanDerWaalsContact C-N 3.33Å; K428-I430 PolarHBondContact O-N 3.22Å; I430-L432 VanDerWaalsContact C-N 3.31Å; I430-L432 PolarHBondContact O-N 2.85Å; I430-E433 PolarHBondContact O-N 2.73Å; I430-V434 HydrophobicContact CG2-CG2 4.49Å; I430-V434 WeakPolarHBondContact O-CG2 3.22Å; I430-V434 PolarHBondContact O-N 3.16Å |
| 431 | R | 90.3 | Very high | 88.1 | Confident | 114 Ų | 114 | 63.1 Ų | 63.1 | 43% | 0.43 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -58.9 | -41 | 177.9 | -65.1 | -176.7 | -172.4 | -161.1 | 7.5 | 112.1 | D353 F361 E427 K428 V434 L435 | D353-R431 IonicContact OD2-CZ 2.75Å; D353-R431 IonicContact OD2-NH1 3.34Å; D353-R431 PolarHBondContact OD2-NH1 2.93Å; F361-R431 HydrophobicContact CE1-CB 4.08Å; F361-R431 HydrophobicContact CZ-CB 4.1Å; E427-R431 PolarHBondContact O-N 3.44Å; K428-R431 PolarHBondContact O-N 3.21Å; R431-V434 PolarHBondContact O-N 2.58Å; R431-L435 WeakPolarHBondContact O-CB 3.14Å; R431-L435 WeakPolarHBondContact O-CG 3.48Å; R431-L435 PolarHBondContact O-N 3.06Å |
| 432 | L | 92.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.5 | -45 | 176.9 | 179.7 | 61.4 | 0 | 0 | 0 | 112 | L348 F361 F364 F386 I408 M411 K428 I430 A436 | L348-L432 HydrophobicContact CD2-CD1 4.21Å; F361-L432 HydrophobicContact CD1-CB 3.93Å; F361-L432 HydrophobicContact CD1-CD1 4.34Å; F361-L432 HydrophobicContact CD2-CD1 3.91Å; F361-L432 HydrophobicContact CE1-CB 3.76Å; F361-L432 HydrophobicContact CE2-CD1 4.15Å; F361-L432 HydrophobicContact CG-CB 4.47Å; F361-L432 HydrophobicContact CG-CD1 4.02Å; F361-L432 HydrophobicContact CZ-CB 4.14Å; F364-L432 HydrophobicContact CD1-CD2 3.75Å; F364-L432 HydrophobicContact CE1-CD2 4.06Å; F364-L432 HydrophobicContact CG-CD2 4.14Å; F386-L432 HydrophobicContact CZ-CD1 3.91Å; I408-L432 HydrophobicContact CG2-CD1 4.19Å; I408-L432 HydrophobicContact CG2-CD2 4.33Å; I408-L432 HydrophobicContact CG2-CG 3.89Å; M411-L432 HydrophobicContact SD-CD2 4.09Å; K428-L432 VanDerWaalsContact O-CB 3.31Å; K428-L432 WeakPolarHBondContact O-CB 3.37Å; K428-L432 PolarHBondContact O-N 2.95Å; I430-L432 VanDerWaalsContact C-N 3.31Å; I430-L432 PolarHBondContact O-N 2.85Å; L432-A436 WeakPolarHBondContact O-CB 3.35Å; L432-A436 PolarHBondContact O-N 3.34Å; L432-A436 VanDerWaalsContact O-N 3.1Å |
| 433 | E | 90 | Very high | 87.5 | Confident | 33 Ų | 33 | 56.6 Ų | 56.6 | 15% | 0.154 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.6 | -44.8 | 176.4 | -174.1 | 168.6 | -167.8 | 0 | 0 | 111.4 | R409 R416 A429 I430 A436 F437 | R409-E433 HydrophobicContact CG-CG 4.29Å; R409-E433 WeakPolarHBondContact CG-OE1 3.37Å; R409-E433 IonicContact CZ-OE1 3.27Å; R409-E433 IonicContact NE-OE1 3.42Å; R409-E433 PolarHBondContact NE-OE1 2.76Å; R409-E433 IonicContact NH2-OE1 2.74Å; R416-E433 IonicContact CZ-OE2 2.78Å; R416-E433 VanDerWaalsContact CZ-OE2 3.26Å; R416-E433 IonicContact NH1-OE2 3.93Å; R416-E433 PolarHBondContact NH1-OE2 3.2Å; R416-E433 IonicContact NH2-OE2 3.26Å; R416-E433 PolarHBondContact NH2-OE2 3.03Å; A429-E433 PolarHBondContact O-N 2.88Å; I430-E433 PolarHBondContact O-N 2.73Å; E433-A436 PolarHBondContact O-N 3.34Å; E433-F437 HydrophobicContact CG-CD2 4.22Å; E433-F437 HydrophobicContact CG-CE2 4.11Å; E433-F437 VanDerWaalsContact O-CD2 3.29Å; E433-F437 WeakPolarHBondContact O-CD2 3.46Å; E433-F437 PolarHBondContact O-N 3.02Å |
| 434 | V | 88 | Confident | 86.4 | Confident | 96 Ų | 96 | 57 Ų | 57 | 58% | 0.582 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -61.2 | -48.7 | 179.5 | 172.4 | 0 | 0 | 0 | 0 | 112.1 | I430 R431 A436 F437 S438 | I430-V434 HydrophobicContact CG2-CG2 4.49Å; I430-V434 WeakPolarHBondContact O-CG2 3.22Å; I430-V434 PolarHBondContact O-N 3.16Å; R431-V434 PolarHBondContact O-N 2.58Å; V434-A436 VanDerWaalsContact C-N 3.3Å; V434-A436 PolarHBondContact O-N 2.77Å; V434-F437 PolarHBondContact O-N 2.75Å; V434-S438 PolarHBondContact O-N 3.32Å; V434-S438 VanDerWaalsContact O-N 3.13Å |
| 435 | L | 90.5 | Very high | 84.7 | Confident | 30 Ų | 30 | 56.2 Ų | 56.2 | 16% | 0.157 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.6 | -32.5 | 179.7 | -71.9 | 165 | 0 | 0 | 0 | 112.8 | L348 H351 F361 R431 F437 S438 Y439 | L348-L435 HydrophobicContact CD2-CB 3.96Å; H351-L435 VanDerWaalsContact CD2-CD1 3.46Å; H351-L435 WeakPolarHBondContact CD2-CD1 3.37Å; H351-L435 VanDerWaalsContact NE2-CD1 3.34Å; H351-L435 WeakPolarHBondContact NE2-CD1 3.47Å; F361-L435 HydrophobicContact CE2-CD1 3.73Å; F361-L435 HydrophobicContact CZ-CD1 3.65Å; R431-L435 WeakPolarHBondContact O-CB 3.14Å; R431-L435 WeakPolarHBondContact O-CG 3.48Å; R431-L435 PolarHBondContact O-N 3.06Å; L435-F437 VanDerWaalsContact C-N 3.29Å; L435-F437 PolarHBondContact O-N 3.28Å; L435-S438 WeakPolarHBondContact CA-OG 3.25Å; L435-S438 PolarHBondContact O-N 3.38Å; L435-S438 PolarHBondContact O-OG 3.5Å; L435-Y439 HydrophobicContact CB-CD2 4.39Å; L435-Y439 HydrophobicContact CB-CE2 4.21Å; L435-Y439 HydrophobicContact CD2-CE2 4.29Å; L435-Y439 VanDerWaalsContact O-CD2 3.25Å; L435-Y439 WeakPolarHBondContact O-CD2 3.42Å; L435-Y439 PolarHBondContact O-N 2.83Å |
| 436 | A | 90.5 | Very high | 82.8 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.008 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.9 | -41.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | L348 L405 I408 L432 E433 V434 A440 | L348-A436 HydrophobicContact CD1-CB 3.86Å; L348-A436 HydrophobicContact CD2-CB 4.08Å; L405-A436 HydrophobicContact CD2-CB 3.67Å; L405-A436 WeakPolarHBondContact CD2-O 3.11Å; I408-A436 HydrophobicContact CG2-CB 3.79Å; L432-A436 WeakPolarHBondContact O-CB 3.35Å; L432-A436 PolarHBondContact O-N 3.34Å; L432-A436 VanDerWaalsContact O-N 3.1Å; E433-A436 PolarHBondContact O-N 3.34Å; V434-A436 VanDerWaalsContact C-N 3.3Å; V434-A436 PolarHBondContact O-N 2.77Å; A436-A440 WeakPolarHBondContact O-CB 3.44Å; A436-A440 PolarHBondContact O-N 3.45Å; A436-A440 VanDerWaalsContact O-N 3.08Å |
| 437 | F | 87.6 | Confident | 80.7 | Confident | 76 Ų | 76 | 55.7 Ų | 55.7 | 33% | 0.333 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -70.9 | -35.9 | 176.2 | -80.8 | -72.9 | 0 | 0 | 0 | 114.1 | L405 R409 E433 V434 L435 K441 | L405-F437 HydrophobicContact CD1-CD1 4.29Å; L405-F437 HydrophobicContact CD1-CE1 3.8Å; L405-F437 HydrophobicContact CD1-CZ 4.25Å; L405-F437 HydrophobicContact CD2-CE1 4.43Å; L405-F437 HydrophobicContact CD2-CZ 4.35Å; R409-F437 HydrophobicContact CG-CE2 4.25Å; E433-F437 HydrophobicContact CG-CD2 4.22Å; E433-F437 HydrophobicContact CG-CE2 4.11Å; E433-F437 VanDerWaalsContact O-CD2 3.29Å; E433-F437 WeakPolarHBondContact O-CD2 3.46Å; E433-F437 PolarHBondContact O-N 3.02Å; V434-F437 PolarHBondContact O-N 2.75Å; L435-F437 VanDerWaalsContact C-N 3.29Å; L435-F437 PolarHBondContact O-N 3.28Å; F437-K441 WeakPolarHBondContact O-CB 3.42Å; F437-K441 PolarHBondContact O-N 2.78Å; F437-K441 VanDerWaalsContact O-N 3.17Å |
| 438 | S | 85.2 | Confident | 78.6 | Confident | 45 Ų | 45 | 54.8 Ų | 54.8 | 32% | 0.315 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.1 | -52.8 | 175.7 | 61.6 | 0 | 0 | 0 | 0 | 111.6 | V434 L435 A440 K441 E442 | V434-S438 PolarHBondContact O-N 3.32Å; V434-S438 VanDerWaalsContact O-N 3.13Å; L435-S438 WeakPolarHBondContact CA-OG 3.25Å; L435-S438 PolarHBondContact O-N 3.38Å; L435-S438 PolarHBondContact O-OG 3.5Å; S438-A440 VanDerWaalsContact C-N 3.32Å; S438-A440 PolarHBondContact O-N 2.79Å; S438-K441 WeakPolarHBondContact O-CB 3.39Å; S438-K441 PolarHBondContact O-N 2.94Å; S438-K441 VanDerWaalsContact O-N 3.1Å; S438-E442 PolarHBondContact O-N 2.78Å; S438-E442 VanDerWaalsContact O-N 3.09Å |
| 439 | Y | 89.7 | Confident | 76.1 | Confident | 40 Ų | 40 | 60.1 Ų | 60.1 | 16% | 0.157 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.7 | -33.5 | -178.8 | -65.6 | -40.2 | 0 | 0 | 0 | 112.9 | L347 L348 H351 L435 L443 | L347-Y439 HydrophobicContact CB-CD1 4.46Å; L347-Y439 HydrophobicContact CB-CD2 3.69Å; L347-Y439 HydrophobicContact CB-CE2 3.88Å; L347-Y439 HydrophobicContact CB-CG 4Å; L347-Y439 HydrophobicContact CD1-CD1 4.03Å; L347-Y439 HydrophobicContact CD1-CG 3.95Å; L347-Y439 HydrophobicContact CD2-CE1 4.43Å; L347-Y439 HydrophobicContact CG-CG 4.5Å; L348-Y439 HydrophobicContact CD2-CD2 3.9Å; L348-Y439 HydrophobicContact CD2-CE2 4.31Å; L348-Y439 HydrophobicContact CG-CD2 4.34Å; H351-Y439 PolarHBondContact CE1-OH 2.68Å; H351-Y439 AromaticContact ND1-CZ 3.95Å; H351-Y439 PolarHBondContact ND1-OH 2.59Å; L435-Y439 HydrophobicContact CB-CD2 4.39Å; L435-Y439 HydrophobicContact CB-CE2 4.21Å; L435-Y439 HydrophobicContact CD2-CE2 4.29Å; L435-Y439 VanDerWaalsContact O-CD2 3.25Å; L435-Y439 WeakPolarHBondContact O-CD2 3.42Å; L435-Y439 PolarHBondContact O-N 2.83Å; Y439-L443 WeakPolarHBondContact O-CB 3.34Å; Y439-L443 VanDerWaalsContact O-CG 3.32Å; Y439-L443 WeakPolarHBondContact O-CG 3.27Å; Y439-L443 PolarHBondContact O-N 3.42Å |
| 440 | A | 85.3 | Confident | 73.7 | Confident | 15 Ų | 15 | 67.3 Ų | 67.3 | 12% | 0.124 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -67.7 | -35.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L344 L405 A436 S438 G444 | L344-A440 HydrophobicContact CD1-CB 4.43Å; L344-A440 HydrophobicContact CD2-CB 3.98Å; L405-A440 HydrophobicContact CD1-CB 3.78Å; L405-A440 HydrophobicContact CD2-CB 4.07Å; L405-A440 HydrophobicContact CG-CB 4.23Å; A436-A440 WeakPolarHBondContact O-CB 3.44Å; A436-A440 PolarHBondContact O-N 3.45Å; A436-A440 VanDerWaalsContact O-N 3.08Å; S438-A440 VanDerWaalsContact C-N 3.32Å; S438-A440 PolarHBondContact O-N 2.79Å; A440-G444 PolarHBondContact O-N 3.33Å |
| 441 | K | 79.6 | Confident | 71.4 | Confident | 164 Ų | 164 | 70.1 Ų | 70.1 | 71% | 0.713 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -67 | -41.6 | 176.1 | -175.7 | -175.6 | 176 | -172 | 0 | 111.7 | F437 S438 S445 | F437-K441 WeakPolarHBondContact O-CB 3.42Å; F437-K441 PolarHBondContact O-N 2.78Å; F437-K441 VanDerWaalsContact O-N 3.17Å; S438-K441 WeakPolarHBondContact O-CB 3.39Å; S438-K441 PolarHBondContact O-N 2.94Å; S438-K441 VanDerWaalsContact O-N 3.1Å; K441-S445 PolarHBondContact O-N 2.9Å; K441-S445 VanDerWaalsContact O-N 3.1Å; K441-S445 PolarHBondContact O-OG 2.98Å |
| 442 | E | 75.8 | Confident | 68.9 | Low | 117 Ų | 117 | 74.5 Ų | 74.5 | 55% | 0.547 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.6 | -51.2 | 175.6 | -69.8 | 168.7 | -175.1 | 0 | 0 | 111.3 | S438 G444 S445 A446 | S438-E442 PolarHBondContact O-N 2.78Å; S438-E442 VanDerWaalsContact O-N 3.09Å; E442-G444 VanDerWaalsContact C-N 3.34Å; E442-G444 PolarHBondContact O-N 3.05Å; E442-S445 PolarHBondContact O-N 3.46Å; E442-A446 PolarHBondContact O-N 3.35Å |
| 443 | L | 75.9 | Confident | 66.3 | Low | 25 Ų | 25 | 81.9 Ų | 81.9 | 13% | 0.131 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -63.9 | -36.7 | 178.9 | -71.7 | 167.6 | 0 | 0 | 0 | 112.9 | R343 L344 L347 Y439 A447 | R343-L443 HydrophobicContact CB-CD1 4.1Å; R343-L443 HydrophobicContact CB-CD2 3.93Å; L344-L443 HydrophobicContact CB-CD1 3.72Å; L344-L443 HydrophobicContact CD1-CD1 4.43Å; L347-L443 HydrophobicContact CD1-CD1 4.23Å; Y439-L443 WeakPolarHBondContact O-CB 3.34Å; Y439-L443 VanDerWaalsContact O-CG 3.32Å; Y439-L443 WeakPolarHBondContact O-CG 3.27Å; Y439-L443 PolarHBondContact O-N 3.42Å; L443-A447 PolarHBondContact O-N 2.96Å |
| 444 | G | 65.1 | Low | 63.6 | Low | 36 Ų | 36 | 85.1 Ų | 85.1 | 37% | 0.371 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.6 | -38.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A440 E442 A446 A447 V448 | A440-G444 PolarHBondContact O-N 3.33Å; E442-G444 VanDerWaalsContact C-N 3.34Å; E442-G444 PolarHBondContact O-N 3.05Å; G444-A446 PolarHBondContact O-N 3.46Å; G444-A447 PolarHBondContact O-N 3.32Å; G444-V448 PolarHBondContact O-N 2.98Å |
| 445 | S | 50.3 | Low | 61 | Low | 76 Ų | 76 | 84.7 Ų | 84.7 | 53% | 0.531 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 179.9 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | K441 E442 A447 | K441-S445 PolarHBondContact O-N 2.9Å; K441-S445 VanDerWaalsContact O-N 3.1Å; K441-S445 PolarHBondContact O-OG 2.98Å; E442-S445 PolarHBondContact O-N 3.46Å; S445-A447 VanDerWaalsContact C-N 3.32Å; S445-A447 PolarHBondContact O-N 3.03Å |
| 446 | A | 49.4 | Very low | 58.3 | Low | 53 Ų | 53 | 92.4 Ų | 92.4 | 44% | 0.438 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.7 | -28 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114 | E442 G444 | E442-A446 PolarHBondContact O-N 3.35Å; G444-A446 PolarHBondContact O-N 3.46Å |
| 447 | A | 47.6 | Very low | 55.5 | Low | 34 Ų | 34 | 98 Ų | 98 | 28% | 0.281 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -76.4 | -37.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L443 G444 S445 E449 Q450 Q451 | L443-A447 PolarHBondContact O-N 2.96Å; G444-A447 PolarHBondContact O-N 3.32Å; S445-A447 VanDerWaalsContact C-N 3.32Å; S445-A447 PolarHBondContact O-N 3.03Å; A447-E449 VanDerWaalsContact C-N 3.25Å; A447-E449 PolarHBondContact O-N 3.33Å; A447-Q450 PolarHBondContact O-N 3.3Å; A447-Q451 PolarHBondContact O-N 2.68Å |
| 448 | V | 44.6 | Very low | 52.7 | Low | 82 Ų | 82 | 100.4 Ų | 100.4 | 50% | 0.497 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.6 | -35.1 | 178.9 | 173.9 | 0 | 0 | 0 | 0 | 111.4 | G444 R452 | G444-V448 PolarHBondContact O-N 2.98Å; V448-R452 PolarHBondContact O-N 2.77Å |
| 449 | E | 37.1 | Very low | 50.1 | Low | 150 Ų | 150 | 106.4 Ų | 106.4 | 70% | 0.701 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -71.8 | -35.7 | -178.6 | -160.7 | 149.7 | -123.8 | 0 | 0 | 112.3 | A447 | A447-E449 VanDerWaalsContact C-N 3.25Å; A447-E449 PolarHBondContact O-N 3.33Å |
| 450 | Q | 42.3 | Very low | 47.1 | Very low | 150 Ų | 150 | 114.8 Ų | 114.8 | 70% | 0.701 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -71.7 | -39 | 175 | -67.8 | -174.3 | -18.3 | 0 | 0 | 113 | A447 R452 L453 | A447-Q450 PolarHBondContact O-N 3.3Å; Q450-R452 VanDerWaalsContact C-N 3.29Å; Q450-R452 PolarHBondContact O-N 3.46Å; Q450-L453 PolarHBondContact O-N 3.33Å |
| 451 | Q | 41.3 | Very low | 44.7 | Very low | 136 Ų | 136 | 125.4 Ų | 125.4 | 64% | 0.636 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -70.8 | -21.2 | -177.9 | -71.4 | -176.4 | -12.7 | 0 | 0 | 114.1 | A447 L453 S455 | A447-Q451 PolarHBondContact O-N 2.68Å; Q451-L453 PolarHBondContact O-N 2.91Å; Q451-S455 PolarHBondContact O-OG 3.02Å; Q451-S455 VanDerWaalsContact O-OG 3.08Å |
| 452 | R | 39.4 | Very low | 42.2 | Very low | 205 Ų | 205 | 123.9 Ų | 123.9 | 77% | 0.774 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -14.5 | 172.3 | -77.7 | -178.7 | 175.1 | -171.8 | -0.7 | 114.1 | V448 Q450 | V448-R452 PolarHBondContact O-N 2.77Å; Q450-R452 VanDerWaalsContact C-N 3.29Å; Q450-R452 PolarHBondContact O-N 3.46Å |
| 453 | L | 37.4 | Very low | 40.2 | Very low | 156 Ų | 156 | 126.3 Ų | 126.3 | 82% | 0.817 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | -4.8 | -177.4 | -81.7 | 137.6 | 0 | 0 | 0 | 114.5 | Q450 Q451 | Q450-L453 PolarHBondContact O-N 3.33Å; Q451-L453 PolarHBondContact O-N 2.91Å |
| 454 | S | 34 | Very low | 38 | Very low | 101 Ų | 101 | 132.2 Ų | 132.2 | 71% | 0.706 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -116.2 | 14.3 | -170 | 71.7 | 0 | 0 | 0 | 0 | 115.4 | ||
| 455 | S | 32.2 | Very low | 36.2 | Very low | 87 Ų | 87 | 136 Ų | 136 | 61% | 0.608 | 71% | 0.705 | S | S | * | * | trans | -137.9 | 30.7 | -158.8 | 48.9 | 0 | 0 | 0 | 0 | 116.5 | Q451 | Q451-S455 PolarHBondContact O-OG 3.02Å; Q451-S455 VanDerWaalsContact O-OG 3.08Å | ||
| 456 | Q | 34.8 | Very low | 35.1 | Very low | 191 Ų | 191 | 137.8 Ų | 137.8 | 89% | 0.893 | 72% | 0.717 | S | S | * | * | trans | -135.3 | 129.6 | 160.6 | -71.2 | -166.6 | -5.9 | 0 | 0 | 112 | ||||
| 457 | P | 31.1 | Very low | 34.1 | Very low | 120 Ų | 120 | 139.9 Ų | 139.9 | 78% | 0.779 | 73% | 0.729 | S | S | * | * | trans | -93.4 | 162.8 | 175.3 | 37.3 | -34.3 | 0 | 0 | 0 | 112.5 | ||||
| 458 | V | 29.1 | Very low | 33.2 | Very low | 126 Ų | 126 | 145.5 Ų | 145.5 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | 171.9 | 126.2 | 127.1 | 151.1 | 0 | 0 | 0 | 0 | 111 | |||||
| 459 | E | 30.2 | Very low | 32.5 | Very low | 170 Ų | 170 | 150 Ų | 150 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | trans | 37.6 | 132.8 | 153.8 | -58.3 | -174.5 | 175.5 | 0 | 0 | 123.2 | ||||
| 460 | R | 27.3 | Very low | 32.1 | Very low | 217 Ų | 217 | 148 Ų | 148 | 82% | 0.819 | 78% | 0.775 | S | S | * | * | trans | -94.4 | 147.4 | 167.1 | -54.2 | 178.7 | -173.5 | 176.7 | 1.8 | 111.1 | ||||
| 461 | R | 34.1 | Very low | 31.6 | Very low | 237 Ų | 237 | 153 Ų | 153 | 89% | 0.894 | 79% | 0.787 | S | S | * | * | trans | -140.5 | 122.9 | 143.4 | -69 | -166.7 | -179.6 | 165.9 | 4.6 | 110 | ||||
| 462 | D | 27.8 | Very low | 31.2 | Very low | 133 Ų | 133 | 150.7 Ų | 150.7 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | trans | -90.9 | 128.8 | -174.7 | -55.6 | -88 | 0 | 0 | 0 | 112 | ||||
| 463 | I | 33.9 | Very low | 30.9 | Very low | 168 Ų | 168 | 149.1 Ų | 149.1 | 86% | 0.862 | 79% | 0.788 | S | S | * | * | trans | -136 | 104.1 | 155.3 | -59 | -175.2 | 0 | 0 | 0 | 110.4 | ||||
| 464 | N | 28.2 | Very low | 30.6 | Very low | 149 Ų | 149 | 150.4 Ų | 150.4 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | trans | 14.3 | 125.6 | 152.3 | -65.7 | -23.5 | 0 | 0 | 0 | 121.7 | ||||
| 465 | S | 27.4 | Very low | 30.6 | Very low | 116 Ų | 116 | 151 Ų | 151 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | 59 | 89.3 | 127.7 | -161.4 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 466 | S | 27.7 | Very low | 30.6 | Very low | 112 Ų | 112 | 149.4 Ų | 149.4 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | 176.9 | 162.5 | 112.9 | 49.9 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 467 | S | 29.4 | Very low | 30.6 | Very low | 97 Ų | 97 | 147 Ų | 147 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | trans | 54.2 | 62 | 166.7 | -169.4 | 0 | 0 | 0 | 0 | 118.2 | K469 | S467-K469 VanDerWaalsContact C-N 3.35Å; S467-K469 PolarHBondContact O-N 3.08Å | ||
| 468 | V | 27.9 | Very low | 30.9 | Very low | 152 Ų | 152 | 147.2 Ų | 147.2 | 92% | 0.921 | 76% | 0.761 | S | S | * | * | trans | -67.9 | 88.8 | 164.1 | -177.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 469 | K | 29.4 | Very low | 31.2 | Very low | 177 Ų | 177 | 142.9 Ų | 142.9 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | trans | -146.4 | 59.9 | 179.3 | -72.8 | -172.2 | 177.4 | 175.8 | 0 | 113.7 | S467 | S467-K469 VanDerWaalsContact C-N 3.35Å; S467-K469 PolarHBondContact O-N 3.08Å | ||
| 470 | S | 29.9 | Very low | 31.6 | Very low | 107 Ų | 107 | 139.2 Ų | 139.2 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | trans | -172.7 | 98.2 | 155.4 | -86.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 471 | R | 30.1 | Very low | 32 | Very low | 255 Ų | 255 | 131.5 Ų | 131.5 | 96% | 0.962 | 70% | 0.704 | S | S | * | * | trans | -158.2 | 27.7 | 154.7 | -148.8 | 172.6 | 178.7 | 165.5 | -0.3 | 113.4 | ||||
| 472 | S | 34.4 | Very low | 32.1 | Very low | 89 Ų | 89 | 124 Ų | 124 | 62% | 0.622 | 68% | 0.681 | S | S | * | * | trans | -106.6 | 7.3 | -175.7 | -168.3 | 0 | 0 | 0 | 0 | 113.8 | M474 | S472-M474 PolarHBondContact O-N 3.33Š| ||
| 473 | Q | 32.4 | Very low | 32.6 | Very low | 172 Ų | 172 | 122.2 Ų | 122.2 | 80% | 0.804 | 67% | 0.671 | S | S | * | * | trans | -96.1 | 74.7 | -177.1 | -70.8 | 172.6 | -57.1 | 0 | 0 | 111 | ||||
| 474 | M | 31.8 | Very low | 32.8 | Very low | 182 Ų | 182 | 120.3 Ų | 120.3 | 90% | 0.897 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -162.5 | 36.4 | 157.2 | -107.9 | -56.1 | 167.7 | 0 | 0 | 111 | S472 | S472-M474 PolarHBondContact O-N 3.33Š|
| 475 | L | 33.9 | Very low | 33.6 | Very low | 114 Ų | 114 | 119 Ų | 119 | 60% | 0.597 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -138.8 | 121.3 | -179.5 | -77.6 | 176.8 | 0 | 0 | 0 | 109 | S479 | L475-S479 WeakPolarHBondContact CB-OG 3.35Š|
| 476 | G | 32 | Very low | 34.4 | Very low | 54 Ų | 54 | 117.3 Ų | 117.3 | 56% | 0.557 | 63% | 0.63 | S | S | * | * | trans | -67.3 | 164 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | K478 S479 | G476-K478 PolarHBondContact O-N 2.9Å; G476-S479 PolarHBondContact O-N 3.36Å; G476-S479 PolarHBondContact O-OG 2.92Å | ||
| 477 | E | 33.8 | Very low | 35.5 | Very low | 139 Ų | 139 | 118.1 Ų | 118.1 | 65% | 0.65 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -45.9 | -37.2 | -171.1 | -58.9 | 174.5 | 108.7 | 0 | 0 | 114.6 | S479 A481 K873 | E477-S479 VanDerWaalsContact C-N 3.35Å; E477-S479 PolarHBondContact O-N 3.49Å; E477-A481 PolarHBondContact O-N 2.91Å; E477-K873 WeakPolarHBondContact OE2-CE 3.38Å; E477-K873 IonicContact OE2-NZ 3.47Å; E477-K873 PolarHBondContact OE2-NZ 2.82Å |
| 478 | K | 38.8 | Very low | 36.3 | Very low | 125 Ų | 125 | 115.7 Ų | 115.7 | 54% | 0.543 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -64.3 | -33.9 | -179.7 | -65 | -167.3 | 171.5 | -167.2 | 0 | 113.3 | G476 L482 N876 | G476-K478 PolarHBondContact O-N 2.9Å; K478-L482 PolarHBondContact O-N 2.84Å; K478-N876 PolarHBondContact NZ-OD1 2.7Å |
| 479 | S | 35.5 | Very low | 37.5 | Very low | 35 Ų | 35 | 113.6 Ų | 113.6 | 25% | 0.245 | 58% | 0.584 | C | S | . | * | H | α-helix | trans | -79.5 | -32.1 | -176.9 | 63 | 0 | 0 | 0 | 0 | 113.7 | L475 G476 E477 L482 L483 | L475-S479 WeakPolarHBondContact CB-OG 3.35Å; G476-S479 PolarHBondContact O-N 3.36Å; G476-S479 PolarHBondContact O-OG 2.92Å; E477-S479 VanDerWaalsContact C-N 3.35Å; E477-S479 PolarHBondContact O-N 3.49Å; S479-L482 PolarHBondContact O-N 2.96Å; S479-L483 PolarHBondContact O-N 2.98Å |
| 480 | I | 38.2 | Very low | 38.9 | Very low | 93 Ų | 93 | 115.1 Ų | 115.1 | 48% | 0.477 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.1 | -44.9 | 170.9 | -61.7 | 176.1 | 0 | 0 | 0 | 109.6 | L482 L483 E484 | I480-L482 VanDerWaalsContact C-N 3.3Å; I480-L482 PolarHBondContact O-N 2.86Å; I480-L483 WeakPolarHBondContact O-CB 3.42Å; I480-L483 PolarHBondContact O-N 3.28Å; I480-L483 VanDerWaalsContact O-N 3.17Å; I480-E484 PolarHBondContact O-N 3.26Å |
| 481 | A | 35 | Very low | 40.6 | Very low | 55 Ų | 55 | 114.6 Ų | 114.6 | 46% | 0.455 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.2 | -33.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E477 R485 | E477-A481 PolarHBondContact O-N 2.91Å; A481-R485 WeakPolarHBondContact O-CB 3.35Å; A481-R485 PolarHBondContact O-N 2.78Å |
| 482 | L | 37.1 | Very low | 42.6 | Very low | 79 Ų | 79 | 105.2 Ų | 105.2 | 41% | 0.414 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68 | -44.6 | 172.4 | -75.5 | 167.5 | 0 | 0 | 0 | 111.9 | K478 S479 I480 E484 R485 S486 | K478-L482 PolarHBondContact O-N 2.84Å; S479-L482 PolarHBondContact O-N 2.96Å; I480-L482 VanDerWaalsContact C-N 3.3Å; I480-L482 PolarHBondContact O-N 2.86Å; L482-E484 VanDerWaalsContact C-N 3.32Å; L482-E484 PolarHBondContact O-N 2.8Å; L482-R485 PolarHBondContact O-N 2.86Å; L482-S486 PolarHBondContact O-N 3.01Å; L482-S486 PolarHBondContact O-OG 3.46Å |
| 483 | L | 37.1 | Very low | 44.3 | Very low | 96 Ų | 96 | 109.6 Ų | 109.6 | 50% | 0.503 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.3 | -39 | 174.7 | -97.1 | 151.5 | 0 | 0 | 0 | 112.6 | S479 I480 K487 | S479-L483 PolarHBondContact O-N 2.98Å; I480-L483 WeakPolarHBondContact O-CB 3.42Å; I480-L483 PolarHBondContact O-N 3.28Å; I480-L483 VanDerWaalsContact O-N 3.17Å; L483-K487 WeakPolarHBondContact O-CG 3.49Å; L483-K487 PolarHBondContact O-N 2.94Å; L483-K487 VanDerWaalsContact O-N 3.09Å |
| 484 | E | 39.3 | Very low | 46.3 | Very low | 128 Ų | 128 | 106.8 Ų | 106.8 | 60% | 0.598 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -71.1 | -40.6 | 173.8 | -65.5 | -152.2 | 140.1 | 0 | 0 | 113.1 | I480 L482 S486 K487 A488 | I480-E484 PolarHBondContact O-N 3.26Å; L482-E484 VanDerWaalsContact C-N 3.32Å; L482-E484 PolarHBondContact O-N 2.8Å; E484-S486 VanDerWaalsContact C-N 3.26Å; E484-S486 PolarHBondContact O-N 3.45Å; E484-K487 PolarHBondContact O-N 3.18Å; E484-A488 WeakPolarHBondContact O-CB 3.41Å; E484-A488 PolarHBondContact O-N 3.31Å |
| 485 | R | 45.3 | Very low | 48.5 | Very low | 123 Ų | 123 | 99.7 Ų | 99.7 | 46% | 0.464 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -56.8 | -40.8 | 172.2 | -108.6 | 176.7 | 167.4 | 177.5 | -3.3 | 111.8 | A481 L482 K489 S617 | A481-R485 WeakPolarHBondContact O-CB 3.35Å; A481-R485 PolarHBondContact O-N 2.78Å; L482-R485 PolarHBondContact O-N 2.86Å; R485-K489 WeakPolarHBondContact O-CB 3.15Å; R485-K489 WeakPolarHBondContact O-CG 3.39Å; R485-K489 PolarHBondContact O-N 3.21Å; R485-S617 PolarHBondContact NH2-OG 3.41Å |
| 486 | S | 42.3 | Very low | 50.9 | Low | 79 Ų | 79 | 96 Ų | 96 | 55% | 0.552 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -67.3 | -43.1 | 177.2 | -68.5 | 0 | 0 | 0 | 0 | 112.4 | L482 E484 R490 | L482-S486 PolarHBondContact O-N 3.01Å; L482-S486 PolarHBondContact O-OG 3.46Å; E484-S486 VanDerWaalsContact C-N 3.26Å; E484-S486 PolarHBondContact O-N 3.45Å; S486-R490 PolarHBondContact O-N 3.37Å; S486-R490 VanDerWaalsContact O-N 3.12Å |
| 487 | K | 51.5 | Low | 53.4 | Low | 130 Ų | 130 | 96.7 Ų | 96.7 | 57% | 0.565 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -59.9 | -50.9 | 172.7 | -71.8 | 168.6 | -176.2 | 174.7 | 0 | 111.2 | L483 E484 K489 R490 T491 | L483-K487 WeakPolarHBondContact O-CG 3.49Å; L483-K487 PolarHBondContact O-N 2.94Å; L483-K487 VanDerWaalsContact O-N 3.09Å; E484-K487 PolarHBondContact O-N 3.18Å; K487-K489 PolarHBondContact O-N 3.24Å; K487-R490 WeakPolarHBondContact O-CA 3.14Å; K487-R490 WeakPolarHBondContact O-CB 3.49Å; K487-R490 PolarHBondContact O-N 2.88Å; K487-T491 PolarHBondContact O-N 3Å; K487-T491 PolarHBondContact O-OG1 3.38Å; K487-T491 VanDerWaalsContact O-OG1 3.14Å |
| 488 | A | 46.6 | Very low | 55.8 | Low | 45 Ų | 45 | 93.5 Ų | 93.5 | 37% | 0.372 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.9 | -41.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | E484 R490 T491 Y492 | E484-A488 WeakPolarHBondContact O-CB 3.41Å; E484-A488 PolarHBondContact O-N 3.31Å; A488-R490 VanDerWaalsContact C-N 3.32Å; A488-R490 PolarHBondContact O-N 2.95Å; A488-T491 PolarHBondContact O-N 2.92Å; A488-Y492 PolarHBondContact O-N 2.85Å |
| 489 | K | 53.7 | Low | 58.3 | Low | 109 Ų | 109 | 88 Ų | 88 | 47% | 0.474 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.3 | -36.3 | 173.5 | -78.6 | 179.1 | 175.5 | 179.4 | 0 | 112.4 | R485 K487 R493 | R485-K489 WeakPolarHBondContact O-CB 3.15Å; R485-K489 WeakPolarHBondContact O-CG 3.39Å; R485-K489 PolarHBondContact O-N 3.21Å; K487-K489 PolarHBondContact O-N 3.24Å; K489-R493 PolarHBondContact O-N 3.43Å |
| 490 | R | 58.1 | Low | 61 | Low | 208 Ų | 208 | 88.7 Ų | 88.7 | 79% | 0.785 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -71.1 | -44.7 | 176.8 | -164.7 | 172.3 | -176.8 | 167.1 | 0.6 | 111.6 | S486 K487 A488 Y492 R493 Q494 | S486-R490 PolarHBondContact O-N 3.37Å; S486-R490 VanDerWaalsContact O-N 3.12Å; K487-R490 WeakPolarHBondContact O-CA 3.14Å; K487-R490 WeakPolarHBondContact O-CB 3.49Å; K487-R490 PolarHBondContact O-N 2.88Å; A488-R490 VanDerWaalsContact C-N 3.32Å; A488-R490 PolarHBondContact O-N 2.95Å; R490-Y492 PolarHBondContact O-N 2.8Å; R490-R493 PolarHBondContact O-N 3.45Å; R490-Q494 PolarHBondContact O-N 3.19Å; R490-Q494 VanDerWaalsContact O-N 3.15Å |
| 491 | T | 66.1 | Low | 63.6 | Low | 97 Ų | 97 | 86.9 Ų | 86.9 | 60% | 0.595 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -61.5 | -41.9 | 176.1 | -54.5 | 0 | 0 | 0 | 0 | 112.5 | K487 A488 Q494 A495 | K487-T491 PolarHBondContact O-N 3Å; K487-T491 PolarHBondContact O-OG1 3.38Å; K487-T491 VanDerWaalsContact O-OG1 3.14Å; A488-T491 PolarHBondContact O-N 2.92Å; T491-Q494 PolarHBondContact O-N 3.21Å; T491-A495 PolarHBondContact O-N 3.3Å |
| 492 | Y | 70.8 | Confident | 66.2 | Low | 58 Ų | 58 | 89.5 Ų | 89.5 | 23% | 0.227 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 176.2 | 172.1 | -96.6 | 0 | 0 | 0 | 112.6 | A488 R490 Q494 A495 F496 P612 L614 | A488-Y492 PolarHBondContact O-N 2.85Å; R490-Y492 PolarHBondContact O-N 2.8Å; Y492-Q494 VanDerWaalsContact C-N 3.31Å; Y492-Q494 PolarHBondContact O-N 2.84Å; Y492-A495 PolarHBondContact O-N 2.81Å; Y492-F496 WeakPolarHBondContact O-CB 3.49Å; Y492-F496 PolarHBondContact O-N 2.88Å; Y492-P612 HydrophobicContact CD2-CB 4.5Å; Y492-P612 HydrophobicContact CE2-CB 4.3Å; Y492-P612 WeakPolarHBondContact CE2-O 3.37Å; Y492-L614 HydrophobicContact CD1-CD1 4.19Å; Y492-L614 HydrophobicContact CD1-CD2 3.91Å; Y492-L614 HydrophobicContact CD1-CG 3.75Å; Y492-L614 HydrophobicContact CD2-CB 4.29Å; Y492-L614 HydrophobicContact CD2-CD2 4.18Å; Y492-L614 HydrophobicContact CD2-CG 3.7Å; Y492-L614 HydrophobicContact CE1-CD1 3.94Å; Y492-L614 HydrophobicContact CE1-CD2 4.48Å; Y492-L614 HydrophobicContact CE1-CG 3.85Å; Y492-L614 HydrophobicContact CE2-CB 4.28Å; Y492-L614 HydrophobicContact CE2-CD1 4.49Å; Y492-L614 HydrophobicContact CE2-CG 3.77Å; Y492-L614 HydrophobicContact CG-CD2 3.74Å; Y492-L614 HydrophobicContact CG-CG 3.67Å |
| 493 | R | 70.7 | Confident | 69 | Low | 180 Ų | 180 | 86 Ų | 86 | 68% | 0.679 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -58.2 | -43.9 | 176.8 | -86.1 | 177.6 | 155.9 | -174 | -11.5 | 111.7 | K489 R490 S497 | K489-R493 PolarHBondContact O-N 3.43Å; R490-R493 PolarHBondContact O-N 3.45Å; R493-S497 PolarHBondContact O-N 3.07Å; R493-S497 VanDerWaalsContact O-N 3.16Å |
| 494 | Q | 75.5 | Confident | 71.7 | Confident | 114 Ų | 114 | 82.6 Ų | 82.6 | 53% | 0.533 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.2 | -56.3 | 175.7 | -170.8 | 61.7 | 52.1 | 0 | 0 | 110.9 | R490 T491 Y492 F496 S497 D498 | R490-Q494 PolarHBondContact O-N 3.19Å; R490-Q494 VanDerWaalsContact O-N 3.15Å; T491-Q494 PolarHBondContact O-N 3.21Å; Y492-Q494 VanDerWaalsContact C-N 3.31Å; Y492-Q494 PolarHBondContact O-N 2.84Å; Q494-F496 VanDerWaalsContact C-N 3.28Å; Q494-F496 PolarHBondContact O-N 3.04Å; Q494-S497 WeakPolarHBondContact O-CA 3.47Å; Q494-S497 VanDerWaalsContact O-CB 3.3Å; Q494-S497 WeakPolarHBondContact O-CB 3.29Å; Q494-S497 PolarHBondContact O-N 2.75Å; Q494-D498 PolarHBondContact NE2-OD1 3.13Å; Q494-D498 PolarHBondContact O-N 3.38Å |
| 495 | A | 76.8 | Confident | 74.3 | Confident | 33 Ų | 33 | 82.1 Ų | 82.1 | 27% | 0.273 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -57 | -39 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113 | T491 Y492 D498 Y499 P612 | T491-A495 PolarHBondContact O-N 3.3Å; Y492-A495 PolarHBondContact O-N 2.81Å; A495-D498 PolarHBondContact O-N 2.76Å; A495-Y499 WeakPolarHBondContact O-CB 3.43Å; A495-Y499 PolarHBondContact O-N 3.4Å; A495-P612 HydrophobicContact CB-CB 4.11Å; A495-P612 HydrophobicContact CB-CG 4.08Å; A495-P612 WeakPolarHBondContact O-CG 3.34Å |
| 496 | F | 85.2 | Confident | 76.7 | Confident | 36 Ų | 36 | 76.3 Ų | 76.3 | 16% | 0.158 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -67.8 | -36.7 | 176.5 | -174.9 | -104.1 | 0 | 0 | 0 | 112.5 | Y492 Q494 Y499 K500 D557 R611 | Y492-F496 WeakPolarHBondContact O-CB 3.49Å; Y492-F496 PolarHBondContact O-N 2.88Å; Q494-F496 VanDerWaalsContact C-N 3.28Å; Q494-F496 PolarHBondContact O-N 3.04Å; F496-Y499 HydrophobicContact CD2-CD1 4.32Å; F496-Y499 HydrophobicContact CE2-CD1 4.2Å; F496-Y499 PolarHBondContact O-N 3.38Å; F496-K500 PolarHBondContact O-N 3.41Å; F496-D557 HydrophobicContact CZ-CB 4.08Å; F496-R611 HydrophobicContact CD2-CG 4.21Å; F496-R611 HydrophobicContact CE2-CG 3.94Å |
| 497 | S | 83.7 | Confident | 79.3 | Confident | 69 Ų | 69 | 73.4 Ų | 73.4 | 48% | 0.483 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64 | -44.7 | 171.4 | -162.4 | 0 | 0 | 0 | 0 | 111.4 | R493 Q494 Y499 K500 E501 | R493-S497 PolarHBondContact O-N 3.07Å; R493-S497 VanDerWaalsContact O-N 3.16Å; Q494-S497 WeakPolarHBondContact O-CA 3.47Å; Q494-S497 VanDerWaalsContact O-CB 3.3Å; Q494-S497 WeakPolarHBondContact O-CB 3.29Å; Q494-S497 PolarHBondContact O-N 2.75Å; S497-Y499 VanDerWaalsContact C-N 3.29Å; S497-Y499 PolarHBondContact O-N 3.05Å; S497-K500 PolarHBondContact O-N 3.3Å; S497-E501 WeakPolarHBondContact O-CB 3.38Å; S497-E501 PolarHBondContact O-N 3Å |
| 498 | D | 85.5 | Confident | 81.4 | Confident | 72 Ų | 72 | 72 Ų | 72 | 39% | 0.385 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.7 | -36.6 | 177.9 | -53.3 | -26.6 | 0 | 0 | 0 | 111.6 | Q494 A495 R502 | Q494-D498 PolarHBondContact NE2-OD1 3.13Å; Q494-D498 PolarHBondContact O-N 3.38Å; A495-D498 PolarHBondContact O-N 2.76Å; D498-R502 VanDerWaalsContact O-CG 3.3Å; D498-R502 WeakPolarHBondContact O-CG 3.48Å; D498-R502 PolarHBondContact O-N 3.46Å |
| 499 | Y | 90.7 | Very high | 83.7 | Confident | 9 Ų | 9 | 71.9 Ų | 71.9 | 4% | 0.035 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.7 | -49 | 173.7 | 170.3 | -110.7 | 0 | 0 | 0 | 112.2 | A495 F496 S497 E501 R502 L503 Y559 S561 T609 R611 P612 | A495-Y499 WeakPolarHBondContact O-CB 3.43Å; A495-Y499 PolarHBondContact O-N 3.4Å; F496-Y499 HydrophobicContact CD2-CD1 4.32Å; F496-Y499 HydrophobicContact CE2-CD1 4.2Å; F496-Y499 PolarHBondContact O-N 3.38Å; S497-Y499 VanDerWaalsContact C-N 3.29Å; S497-Y499 PolarHBondContact O-N 3.05Å; Y499-E501 VanDerWaalsContact C-N 3.34Å; Y499-E501 PolarHBondContact O-N 2.92Å; Y499-R502 WeakPolarHBondContact O-CB 3.3Å; Y499-R502 PolarHBondContact O-N 3.12Å; Y499-L503 HydrophobicContact CE1-CD1 4.07Å; Y499-L503 HydrophobicContact CE2-CD1 4.31Å; Y499-L503 HydrophobicContact CE2-CD2 4.21Å; Y499-L503 HydrophobicContact CE2-CG 4.28Å; Y499-L503 PolarHBondContact O-N 2.67Å; Y499-Y559 PolarHBondContact OH-O 3.04Å; Y499-S561 VanDerWaalsContact OH-C 3.32Å; Y499-S561 VanDerWaalsContact OH-CA 3.29Å; Y499-S561 WeakPolarHBondContact OH-CA 3.49Å; Y499-S561 PolarHBondContact OH-N 3.45Å; Y499-T609 HydrophobicContact CD2-CG2 3.94Å; Y499-T609 HydrophobicContact CE2-CG2 4.44Å; Y499-T609 WeakPolarHBondContact CE2-O 3.25Å; Y499-R611 HydrophobicContact CD1-CB 4.39Å; Y499-R611 HydrophobicContact CD1-CG 4.36Å; Y499-R611 HydrophobicContact CE1-CB 3.81Å; Y499-R611 HydrophobicContact CE1-CG 4.03Å; Y499-P612 HydrophobicContact CG-CG 4.43Å |
| 500 | K | 91.8 | Very high | 85.7 | Confident | 49 Ų | 49 | 66.7 Ų | 66.7 | 21% | 0.213 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.6 | -41.2 | 179.3 | -170.3 | 168.6 | -171.3 | 159.1 | 0 | 111.9 | F496 S497 L503 L504 I554 D555 D557 | F496-K500 PolarHBondContact O-N 3.41Å; S497-K500 PolarHBondContact O-N 3.3Å; K500-L503 PolarHBondContact O-N 3.12Å; K500-L504 HydrophobicContact CG-CD1 4.36Å; K500-L504 WeakPolarHBondContact O-CG 3.46Å; K500-L504 PolarHBondContact O-N 3.02Å; K500-I554 VanDerWaalsContact CE-O 3.29Å; K500-I554 WeakPolarHBondContact CE-O 3.43Å; K500-I554 HydrophobicContact CG-CG2 4.36Å; K500-D555 PolarHBondContact NZ-O 3.09Å; K500-D557 WeakPolarHBondContact CD-OD1 3.35Å; K500-D557 WeakPolarHBondContact CE-OD1 3.42Å; K500-D557 IonicContact NZ-OD1 2.68Å; K500-D557 PolarHBondContact NZ-OD1 3.17Å; K500-D557 IonicContact NZ-OD2 2.8Å |
| 501 | E | 91.9 | Very high | 87.5 | Confident | 55 Ų | 55 | 57.9 Ų | 57.9 | 26% | 0.257 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -67.7 | -31.8 | 176.3 | 175.1 | 54.4 | -161.4 | 0 | 0 | 112.6 | S497 Y499 L504 R505 R508 | S497-E501 WeakPolarHBondContact O-CB 3.38Å; S497-E501 PolarHBondContact O-N 3Å; Y499-E501 VanDerWaalsContact C-N 3.34Å; Y499-E501 PolarHBondContact O-N 2.92Å; E501-L504 PolarHBondContact O-N 3.22Å; E501-R505 VanDerWaalsContact O-CG 3.3Å; E501-R505 WeakPolarHBondContact O-CG 3.19Å; E501-R505 PolarHBondContact O-N 3.11Å; E501-R505 WeakPolarHBondContact OE1-CG 3.33Å; E501-R505 IonicContact OE1-CZ 2.67Å; E501-R505 IonicContact OE1-NE 2.71Å; E501-R505 PolarHBondContact OE1-NE 3.19Å; E501-R505 IonicContact OE1-NH2 2.77Å; E501-R508 IonicContact OE1-CZ 3.97Å; E501-R508 IonicContact OE1-NH1 3.28Å; E501-R508 PolarHBondContact OE1-NH1 3.37Å; E501-R508 IonicContact OE1-NH2 2.81Å; E501-R508 IonicContact OE2-CZ 2.72Å; E501-R508 IonicContact OE2-NH1 3.13Å; E501-R508 PolarHBondContact OE2-NH1 3.24Å; E501-R508 IonicContact OE2-NH2 3.56Å; E501-R508 PolarHBondContact OE2-NH2 2.95Å |
| 502 | R | 91.5 | Very high | 88.8 | Confident | 111 Ų | 111 | 58 Ų | 58 | 42% | 0.419 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.3 | -45 | 169.9 | -75.9 | 168.2 | -174.6 | -102.4 | 5.1 | 112.4 | D498 Y499 L504 R505 V506 F604 | D498-R502 VanDerWaalsContact O-CG 3.3Å; D498-R502 WeakPolarHBondContact O-CG 3.48Å; D498-R502 PolarHBondContact O-N 3.46Å; Y499-R502 WeakPolarHBondContact O-CB 3.3Å; Y499-R502 PolarHBondContact O-N 3.12Å; R502-L504 VanDerWaalsContact C-N 3.35Å; R502-R505 PolarHBondContact O-N 2.91Å; R502-V506 PolarHBondContact O-N 3.13Å; R502-V506 VanDerWaalsContact O-N 3.15Å; R502-F604 PolarHBondContact NH1-O 3.25Å |
| 503 | L | 94.5 | Very high | 89.9 | Confident | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 176.1 | -60.2 | -170.9 | 0 | 0 | 0 | 111.3 | Y499 K500 R505 V506 Y507 I554 Y559 M565 | Y499-L503 HydrophobicContact CE1-CD1 4.07Å; Y499-L503 HydrophobicContact CE2-CD1 4.31Å; Y499-L503 HydrophobicContact CE2-CD2 4.21Å; Y499-L503 HydrophobicContact CE2-CG 4.28Å; Y499-L503 PolarHBondContact O-N 2.67Å; K500-L503 PolarHBondContact O-N 3.12Å; L503-R505 VanDerWaalsContact C-N 3.3Å; L503-R505 PolarHBondContact O-N 2.79Å; L503-V506 PolarHBondContact O-N 2.76Å; L503-Y507 PolarHBondContact O-N 3.36Å; L503-I554 HydrophobicContact CB-CD1 4.31Å; L503-I554 HydrophobicContact CB-CG1 4.41Å; L503-I554 HydrophobicContact CB-CG2 3.93Å; L503-I554 HydrophobicContact CD1-CG2 4.46Å; L503-Y559 HydrophobicContact CD1-CD2 4.42Å; L503-M565 HydrophobicContact CB-SD 3.84Å; L503-M565 HydrophobicContact CD1-SD 4.43Å; L503-M565 HydrophobicContact CD2-CE 4Å; L503-M565 HydrophobicContact CD2-SD 3.87Å; L503-M565 HydrophobicContact CG-SD 4.24Å |
| 504 | L | 94.4 | Very high | 91 | Very high | 25 Ų | 25 | 55.7 Ų | 55.7 | 13% | 0.131 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.1 | -31.7 | 175.9 | -70.6 | 171.6 | 0 | 0 | 0 | 112.8 | K500 E501 R502 R508 K551 I554 | K500-L504 HydrophobicContact CG-CD1 4.36Å; K500-L504 WeakPolarHBondContact O-CG 3.46Å; K500-L504 PolarHBondContact O-N 3.02Å; E501-L504 PolarHBondContact O-N 3.22Å; R502-L504 VanDerWaalsContact C-N 3.35Å; L504-R508 WeakPolarHBondContact O-CB 3.48Å; L504-R508 VanDerWaalsContact O-CG 3.25Å; L504-R508 WeakPolarHBondContact O-CG 3.44Å; L504-R508 PolarHBondContact O-N 2.78Å; L504-K551 HydrophobicContact CD2-CD 4.01Å; L504-I554 HydrophobicContact CD2-CB 4.43Å; L504-I554 HydrophobicContact CD2-CG2 3.75Å; L504-I554 HydrophobicContact CG-CG2 3.87Å |
| 505 | R | 94.7 | Very high | 91.5 | Very high | 119 Ų | 119 | 50.9 Ų | 50.9 | 45% | 0.449 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -67.2 | -47.1 | 173.2 | -75.9 | 172.5 | -172.8 | -153 | 0.3 | 112.5 | E501 R502 L503 Y507 R508 S509 F604 | E501-R505 VanDerWaalsContact O-CG 3.3Å; E501-R505 WeakPolarHBondContact O-CG 3.19Å; E501-R505 PolarHBondContact O-N 3.11Å; E501-R505 WeakPolarHBondContact OE1-CG 3.33Å; E501-R505 IonicContact OE1-CZ 2.67Å; E501-R505 IonicContact OE1-NE 2.71Å; E501-R505 PolarHBondContact OE1-NE 3.19Å; E501-R505 IonicContact OE1-NH2 2.77Å; R502-R505 PolarHBondContact O-N 2.91Å; L503-R505 VanDerWaalsContact C-N 3.3Å; L503-R505 PolarHBondContact O-N 2.79Å; R505-Y507 VanDerWaalsContact C-N 3.27Å; R505-Y507 PolarHBondContact O-N 3.24Å; R505-R508 PolarHBondContact O-N 3.34Å; R505-S509 PolarHBondContact O-N 3.01Å; R505-S509 PolarHBondContact O-OG 3.37Å; R505-F604 HydrophobicContact CB-CD1 4.12Å; R505-F604 HydrophobicContact CB-CD2 3.97Å; R505-F604 HydrophobicContact CB-CE1 4.26Å; R505-F604 HydrophobicContact CB-CE2 4.12Å; R505-F604 HydrophobicContact CB-CG 3.98Å; R505-F604 HydrophobicContact CB-CZ 4.27Å |
| 506 | V | 95 | Very high | 91.8 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57.2 | -44.9 | 174.1 | 179.2 | 0 | 0 | 0 | 0 | 110.5 | R502 L503 S509 V510 M565 F597 A600 M601 F604 | R502-V506 PolarHBondContact O-N 3.13Å; R502-V506 VanDerWaalsContact O-N 3.15Å; L503-V506 PolarHBondContact O-N 2.76Å; V506-S509 PolarHBondContact O-N 3.29Å; V506-V510 PolarHBondContact O-N 2.65Å; V506-M565 HydrophobicContact CB-CE 3.83Å; V506-M565 HydrophobicContact CG1-CE 3.69Å; V506-M565 HydrophobicContact CG2-CE 4.34Å; V506-F597 HydrophobicContact CG1-CD2 3.79Å; V506-F597 HydrophobicContact CG1-CE2 3.55Å; V506-A600 HydrophobicContact CG1-CB 4.13Å; V506-M601 HydrophobicContact CG1-CG 3.99Å; V506-M601 HydrophobicContact CG1-SD 4.05Å; V506-M601 HydrophobicContact CG2-SD 4.25Å; V506-F604 HydrophobicContact CG2-CB 3.86Å; V506-F604 HydrophobicContact CG2-CD2 4.02Å; V506-F604 HydrophobicContact CG2-CG 4.41Å |
| 507 | Y | 96.8 | Very high | 91.9 | Very high | 19 Ų | 19 | 60.3 Ų | 60.3 | 8% | 0.075 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.4 | -49.2 | 176.1 | 177.4 | -88 | 0 | 0 | 0 | 112.8 | L503 R505 S509 V510 V511 L547 I550 K551 I554 F569 | L503-Y507 PolarHBondContact O-N 3.36Å; R505-Y507 VanDerWaalsContact C-N 3.27Å; R505-Y507 PolarHBondContact O-N 3.24Å; Y507-S509 PolarHBondContact O-N 3.31Å; Y507-V510 PolarHBondContact O-N 2.64Å; Y507-V511 HydrophobicContact CD1-CG2 4.12Å; Y507-V511 HydrophobicContact CD2-CG2 4.49Å; Y507-V511 HydrophobicContact CE1-CB 4.31Å; Y507-V511 HydrophobicContact CE1-CG2 3.58Å; Y507-V511 HydrophobicContact CE2-CG2 4Å; Y507-V511 WeakPolarHBondContact O-CG2 3.37Å; Y507-V511 PolarHBondContact O-N 3.26Å; Y507-L547 HydrophobicContact CE2-CB 4.13Å; Y507-L547 HydrophobicContact CE2-CD2 4.49Å; Y507-L547 WeakPolarHBondContact CE2-O 3.47Å; Y507-I550 HydrophobicContact CD2-CG2 4.28Å; Y507-K551 HydrophobicContact CD1-CD 3.98Å; Y507-K551 HydrophobicContact CD2-CB 4.43Å; Y507-K551 HydrophobicContact CE1-CB 4.36Å; Y507-K551 HydrophobicContact CE1-CD 3.75Å; Y507-K551 HydrophobicContact CE1-CG 4.22Å; Y507-K551 HydrophobicContact CE2-CB 3.68Å; Y507-K551 HydrophobicContact CE2-CD 4.31Å; Y507-K551 HydrophobicContact CE2-CG 4.4Å; Y507-K551 HydrophobicContact CG-CD 4.37Å; Y507-I554 HydrophobicContact CD2-CD1 4.19Å; Y507-I554 HydrophobicContact CG-CD1 4.19Å; Y507-F569 HydrophobicContact CD2-CZ 4.18Å |
| 508 | R | 95.7 | Very high | 91.9 | Very high | 99 Ų | 99 | 59.4 Ų | 59.4 | 37% | 0.374 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.2 | -44.1 | 176.7 | -73.7 | 175.3 | -150 | 130 | 3.7 | 111.4 | E501 L504 R505 V510 V511 D512 | E501-R508 IonicContact OE1-CZ 3.97Å; E501-R508 IonicContact OE1-NH1 3.28Å; E501-R508 PolarHBondContact OE1-NH1 3.37Å; E501-R508 IonicContact OE1-NH2 2.81Å; E501-R508 IonicContact OE2-CZ 2.72Å; E501-R508 IonicContact OE2-NH1 3.13Å; E501-R508 PolarHBondContact OE2-NH1 3.24Å; E501-R508 IonicContact OE2-NH2 3.56Å; E501-R508 PolarHBondContact OE2-NH2 2.95Å; L504-R508 WeakPolarHBondContact O-CB 3.48Å; L504-R508 VanDerWaalsContact O-CG 3.25Å; L504-R508 WeakPolarHBondContact O-CG 3.44Å; L504-R508 PolarHBondContact O-N 2.78Å; R505-R508 PolarHBondContact O-N 3.34Å; R508-V510 PolarHBondContact O-N 3.33Å; R508-V511 PolarHBondContact O-N 3.02Å; R508-V511 VanDerWaalsContact O-N 3.13Å; R508-D512 WeakPolarHBondContact CB-OD2 3.3Å; R508-D512 VanDerWaalsContact O-CB 3.32Å; R508-D512 WeakPolarHBondContact O-CB 3.38Å; R508-D512 PolarHBondContact O-N 3.35Å |
| 509 | S | 95.1 | Very high | 92.1 | Very high | 44 Ų | 44 | 60.8 Ų | 60.8 | 31% | 0.308 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.5 | -29.4 | 178.4 | -71.4 | 0 | 0 | 0 | 0 | 114.5 | R505 V506 Y507 V596 F604 | R505-S509 PolarHBondContact O-N 3.01Å; R505-S509 PolarHBondContact O-OG 3.37Å; V506-S509 PolarHBondContact O-N 3.29Å; Y507-S509 PolarHBondContact O-N 3.31Å; S509-V596 VanDerWaalsContact O-CG1 3.32Å; S509-V596 WeakPolarHBondContact O-CG1 3.34Å; S509-F604 WeakPolarHBondContact OG-CE2 3.31Å |
| 510 | V | 95.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -84.1 | -39 | 173.6 | -176.5 | 0 | 0 | 0 | 0 | 111.5 | V506 Y507 R508 F569 F573 L593 F597 | V506-V510 PolarHBondContact O-N 2.65Å; Y507-V510 PolarHBondContact O-N 2.64Å; R508-V510 PolarHBondContact O-N 3.33Å; V510-F569 HydrophobicContact CB-CE1 4.11Å; V510-F569 HydrophobicContact CG1-CE1 4.04Å; V510-F569 HydrophobicContact CG2-CE1 4.04Å; V510-F573 HydrophobicContact CG1-CZ 4.31Å; V510-L593 HydrophobicContact CG1-CB 4.32Å; V510-L593 HydrophobicContact CG1-CD2 3.97Å; V510-L593 WeakPolarHBondContact O-CD2 3.38Å; V510-F597 HydrophobicContact CG2-CB 3.76Å; V510-F597 HydrophobicContact CG2-CD2 3.9Å; V510-F597 HydrophobicContact CG2-CG 4.33Å |
| 511 | V | 94.8 | Very high | 92.2 | Very high | 22 Ų | 22 | 61.6 Ų | 61.6 | 13% | 0.133 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -72.4 | -41.2 | -177.7 | 170.1 | 0 | 0 | 0 | 0 | 112.9 | Y507 R508 Y513 M520 S522 M526 L547 | Y507-V511 HydrophobicContact CD1-CG2 4.12Å; Y507-V511 HydrophobicContact CD2-CG2 4.49Å; Y507-V511 HydrophobicContact CE1-CB 4.31Å; Y507-V511 HydrophobicContact CE1-CG2 3.58Å; Y507-V511 HydrophobicContact CE2-CG2 4Å; Y507-V511 WeakPolarHBondContact O-CG2 3.37Å; Y507-V511 PolarHBondContact O-N 3.26Å; R508-V511 PolarHBondContact O-N 3.02Å; R508-V511 VanDerWaalsContact O-N 3.13Å; V511-Y513 VanDerWaalsContact C-N 3.28Å; V511-Y513 PolarHBondContact O-N 3.04Å; V511-M520 WeakPolarHBondContact O-CG 3.37Å; V511-S522 WeakPolarHBondContact O-CB 3.22Å; V511-S522 PolarHBondContact O-OG 3.05Å; V511-M526 HydrophobicContact CG1-SD 4.29Å; V511-M526 HydrophobicContact CG2-SD 4.24Å; V511-L547 HydrophobicContact CG2-CD1 4.16Å |
| 512 | D | 93.5 | Very high | 92.2 | Very high | 99 Ų | 99 | 59.1 Ų | 59.1 | 53% | 0.529 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 6.1 | -174.8 | -56.1 | -39.3 | 0 | 0 | 0 | 112.5 | R508 M520 | R508-D512 WeakPolarHBondContact CB-OD2 3.3Å; R508-D512 VanDerWaalsContact O-CB 3.32Å; R508-D512 WeakPolarHBondContact O-CB 3.38Å; R508-D512 PolarHBondContact O-N 3.35Å; D512-M520 VanDerWaalsContact O-SD 3.42Å |
| 513 | Y | 95.3 | Very high | 92.2 | Very high | 58 Ų | 58 | 56.9 Ų | 56.9 | 23% | 0.227 | 29% | 0.292 | C | S | . | . | trans | -74.7 | 126 | 179.4 | -175.2 | -100.8 | 0 | 0 | 0 | 112.7 | V511 L521 E592 L593 V596 | V511-Y513 VanDerWaalsContact C-N 3.28Å; V511-Y513 PolarHBondContact O-N 3.04Å; Y513-L521 HydrophobicContact CD1-CD1 3.95Å; Y513-L521 HydrophobicContact CD1-CG 4.16Å; Y513-L521 HydrophobicContact CE1-CD1 3.76Å; Y513-L521 HydrophobicContact CE1-CG 4.37Å; Y513-L521 PolarHBondContact O-N 3.08Å; Y513-E592 HydrophobicContact CE1-CG 3.8Å; Y513-E592 PolarHBondContact OH-OE1 2.84Å; Y513-L593 HydrophobicContact CD1-CD2 4.14Å; Y513-V596 HydrophobicContact CD1-CG2 3.94Å; Y513-V596 HydrophobicContact CD2-CB 4.42Å; Y513-V596 HydrophobicContact CD2-CG1 3.92Å; Y513-V596 HydrophobicContact CD2-CG2 3.58Å; Y513-V596 HydrophobicContact CE1-CG2 3.82Å; Y513-V596 HydrophobicContact CE2-CG2 3.49Å; Y513-V596 VanDerWaalsContact CE2-CG2 3.49Å; Y513-V596 HydrophobicContact CG-CB 4.49Å; Y513-V596 HydrophobicContact CG-CG1 4.08Å; Y513-V596 HydrophobicContact CG-CG2 3.81Å | ||
| 514 | K | 92.4 | Very high | 92 | Very high | 133 Ų | 133 | 60.5 Ų | 60.5 | 58% | 0.578 | 31% | 0.311 | S | S | * | . | B | Isolated β-bridge | trans | -105.2 | 130.2 | 172.8 | -62.1 | -178.9 | -176.3 | -179.6 | 0 | 110 | R519 M520 | K514-R519 CarbonylContact C-O 3.58Å; K514-R519 VanDerWaalsContact CA-O 3.25Å; K514-R519 WeakPolarHBondContact CA-O 3.47Å; K514-M520 HydrophobicContact CG-CE 4.38Å; K514-M520 HydrophobicContact CG-SD 3.69Å |
| 515 | G | 86.6 | Confident | 91.9 | Very high | 13 Ų | 13 | 59.7 Ų | 59.7 | 13% | 0.134 | 31% | 0.306 | C | S | . | . | trans | -69.9 | 176.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D517 G518 R519 | G515-D517 PolarHBondContact O-N 2.72Å; G515-G518 PolarHBondContact O-N 2.8Å; G515-R519 PolarHBondContact N-O 3.05Å | ||
| 516 | N | 84.3 | Confident | 91.9 | Very high | 170 Ų | 170 | 57.1 Ų | 57.1 | 91% | 0.909 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -17.4 | -179.7 | -65.4 | -52.2 | 0 | 0 | 0 | 114.4 | ||
| 517 | D | 85.8 | Confident | 91.7 | Very high | 97 Ų | 97 | 64.5 Ų | 64.5 | 52% | 0.519 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 0.1 | 175 | 55.9 | 21.2 | 0 | 0 | 0 | 113.5 | G515 R519 | G515-D517 PolarHBondContact O-N 2.72Å; D517-R519 VanDerWaalsContact C-N 3.28Å; D517-R519 PolarHBondContact O-N 2.73Å; D517-R519 VanDerWaalsContact OD1-CB 3.26Å; D517-R519 WeakPolarHBondContact OD1-CB 3.42Å; D517-R519 WeakPolarHBondContact OD1-CG 3.1Å; D517-R519 PolarHBondContact OD1-N 2.73Å; D517-R519 IonicContact OD1-NE 3.58Å; D517-R519 IonicContact OD2-CZ 3.27Å; D517-R519 VanDerWaalsContact OD2-CZ 3.27Å; D517-R519 IonicContact OD2-NE 2.72Å; D517-R519 PolarHBondContact OD2-NE 2.74Å; D517-R519 IonicContact OD2-NH2 2.68Å; D517-R519 PolarHBondContact OD2-NH2 2.74Å |
| 518 | G | 84.7 | Confident | 91.3 | Very high | 50 Ų | 50 | 66.5 Ų | 66.5 | 52% | 0.515 | 34% | 0.344 | S | S | . | . | S | Bend | trans | 79 | -2.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | G515 | G515-G518 PolarHBondContact O-N 2.8Š|
| 519 | R | 89.4 | Confident | 91 | Very high | 100 Ų | 100 | 63.1 Ų | 63.1 | 38% | 0.377 | 34% | 0.335 | S | S | . | . | trans | -67.1 | 141.1 | 174.5 | -66.5 | -173.7 | -62.6 | 117.2 | 9.8 | 110.3 | K514 G515 D517 L521 D589 | K514-R519 CarbonylContact C-O 3.58Å; K514-R519 VanDerWaalsContact CA-O 3.25Å; K514-R519 WeakPolarHBondContact CA-O 3.47Å; G515-R519 PolarHBondContact N-O 3.05Å; D517-R519 VanDerWaalsContact C-N 3.28Å; D517-R519 PolarHBondContact O-N 2.73Å; D517-R519 VanDerWaalsContact OD1-CB 3.26Å; D517-R519 WeakPolarHBondContact OD1-CB 3.42Å; D517-R519 WeakPolarHBondContact OD1-CG 3.1Å; D517-R519 PolarHBondContact OD1-N 2.73Å; D517-R519 IonicContact OD1-NE 3.58Å; D517-R519 IonicContact OD2-CZ 3.27Å; D517-R519 VanDerWaalsContact OD2-CZ 3.27Å; D517-R519 IonicContact OD2-NE 2.72Å; D517-R519 PolarHBondContact OD2-NE 2.74Å; D517-R519 IonicContact OD2-NH2 2.68Å; D517-R519 PolarHBondContact OD2-NH2 2.74Å; R519-L521 HydrophobicContact CB-CD2 4.08Å; R519-L521 PolarHBondContact O-N 2.79Å; R519-D589 IonicContact CZ-OD1 3.68Å; R519-D589 IonicContact CZ-OD2 2.63Å; R519-D589 IonicContact NH1-OD1 2.74Å; R519-D589 PolarHBondContact NH1-OD1 3.02Å; R519-D589 IonicContact NH1-OD2 3.65Å; R519-D589 PolarHBondContact NH1-OD2 3.08Å; R519-D589 IonicContact NH2-OD1 2.96Å; R519-D589 PolarHBondContact NH2-OD1 3.49Å; R519-D589 IonicContact NH2-OD2 3.59Å | ||
| 520 | M | 91 | Very high | 90.5 | Very high | 69 Ų | 69 | 63.9 Ų | 63.9 | 34% | 0.34 | 34% | 0.34 | S | S | . | . | B | Isolated β-bridge | trans | -76.9 | 101 | 167.9 | -157.7 | 74.9 | 92.1 | 0 | 0 | 108.9 | V511 D512 K514 S522 S523 | V511-M520 WeakPolarHBondContact O-CG 3.37Å; D512-M520 VanDerWaalsContact O-SD 3.42Å; K514-M520 HydrophobicContact CG-CE 4.38Å; K514-M520 HydrophobicContact CG-SD 3.69Å; M520-S522 WeakPolarHBondContact CG-OG 3.4Å; M520-S522 PolarHBondContact O-N 2.7Å; M520-S523 VanDerWaalsContact O-CB 3.31Å; M520-S523 WeakPolarHBondContact O-CB 3.18Å; M520-S523 PolarHBondContact O-N 3.33Å; M520-S523 PolarHBondContact O-OG 2.92Å |
| 521 | L | 92.9 | Very high | 89.9 | Confident | 6 Ų | 6 | 70.4 Ų | 70.4 | 3% | 0.031 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -65.2 | -30.3 | -169 | -54 | -168.3 | 0 | 0 | 0 | 112 | Y513 R519 S523 F525 D589 E592 L593 | Y513-L521 HydrophobicContact CD1-CD1 3.95Å; Y513-L521 HydrophobicContact CD1-CG 4.16Å; Y513-L521 HydrophobicContact CE1-CD1 3.76Å; Y513-L521 HydrophobicContact CE1-CG 4.37Å; Y513-L521 PolarHBondContact O-N 3.08Å; R519-L521 HydrophobicContact CB-CD2 4.08Å; R519-L521 PolarHBondContact O-N 2.79Å; L521-S523 PolarHBondContact O-N 2.99Å; L521-S523 VanDerWaalsContact O-N 3.13Å; L521-F525 WeakPolarHBondContact O-CD2 3.35Å; L521-F525 WeakPolarHBondContact O-CE2 3.42Å; L521-D589 HydrophobicContact CB-CB 4.45Å; L521-E592 HydrophobicContact CD1-CB 4.13Å; L521-E592 HydrophobicContact CD1-CG 3.9Å; L521-L593 HydrophobicContact CB-CD1 4.11Å; L521-L593 HydrophobicContact CB-CD2 3.98Å; L521-L593 HydrophobicContact CB-CG 3.96Å |
| 522 | S | 93.1 | Very high | 89.2 | Confident | 3 Ų | 3 | 74.7 Ų | 74.7 | 2% | 0.021 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -57.9 | -22.9 | 177 | 64.5 | 0 | 0 | 0 | 0 | 114.8 | V511 M520 N524 F525 M526 | V511-S522 WeakPolarHBondContact O-CB 3.22Å; V511-S522 PolarHBondContact O-OG 3.05Å; M520-S522 WeakPolarHBondContact CG-OG 3.4Å; M520-S522 PolarHBondContact O-N 2.7Å; S522-N524 VanDerWaalsContact C-N 3.33Å; S522-N524 PolarHBondContact O-N 3.46Å; S522-F525 WeakPolarHBondContact O-CA 3.32Å; S522-F525 PolarHBondContact O-N 2.96Å; S522-M526 PolarHBondContact O-N 2.7Å |
| 523 | S | 91.2 | Very high | 88.7 | Confident | 65 Ų | 65 | 76 Ų | 76 | 46% | 0.455 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -52.9 | -43.5 | -170.6 | 51.9 | 0 | 0 | 0 | 0 | 114 | M520 L521 F525 | M520-S523 VanDerWaalsContact O-CB 3.31Å; M520-S523 WeakPolarHBondContact O-CB 3.18Å; M520-S523 PolarHBondContact O-N 3.33Å; M520-S523 PolarHBondContact O-OG 2.92Å; L521-S523 PolarHBondContact O-N 2.99Å; L521-S523 VanDerWaalsContact O-N 3.13Å; S523-F525 PolarHBondContact O-N 2.95Å |
| 524 | N | 89.1 | Confident | 88.1 | Confident | 79 Ų | 79 | 74.9 Ų | 74.9 | 42% | 0.422 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -75.2 | -6.9 | -179.9 | -63.6 | -58.8 | 0 | 0 | 0 | 114.1 | S522 L586 | S522-N524 VanDerWaalsContact C-N 3.33Å; S522-N524 PolarHBondContact O-N 3.46Å; N524-L586 HydrophobicContact CB-CD2 3.58Å; N524-L586 WeakPolarHBondContact ND2-CD2 3.5Å |
| 525 | F | 93.8 | Very high | 87.8 | Confident | 8 Ų | 8 | 72.4 Ų | 72.4 | 4% | 0.035 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -113.8 | 2.4 | -177.2 | -49.9 | -78.1 | 0 | 0 | 0 | 113 | L521 S522 S523 L547 L572 S576 D589 A590 L593 | L521-F525 WeakPolarHBondContact O-CD2 3.35Å; L521-F525 WeakPolarHBondContact O-CE2 3.42Å; S522-F525 WeakPolarHBondContact O-CA 3.32Å; S522-F525 PolarHBondContact O-N 2.96Å; S523-F525 PolarHBondContact O-N 2.95Å; F525-L547 HydrophobicContact CB-CD1 3.92Å; F525-L547 HydrophobicContact CB-CG 4.35Å; F525-L547 WeakPolarHBondContact O-CG 3.46Å; F525-L547 PolarHBondContact O-N 2.99Å; F525-L572 HydrophobicContact CB-CD1 4.37Å; F525-L572 HydrophobicContact CB-CD2 4.26Å; F525-S576 WeakPolarHBondContact CE1-OG 3.3Å; F525-D589 HydrophobicContact CE2-CB 4.07Å; F525-D589 HydrophobicContact CZ-CB 4.23Å; F525-A590 HydrophobicContact CE1-CB 4.02Å; F525-A590 HydrophobicContact CZ-CB 3.83Å; F525-L593 HydrophobicContact CD2-CD1 3.48Å; F525-L593 VanDerWaalsContact CD2-CD1 3.48Å; F525-L593 HydrophobicContact CE2-CD1 3.58Å; F525-L593 HydrophobicContact CG-CD1 4.47Å |
| 526 | M | 93.3 | Very high | 87.8 | Confident | 65 Ų | 65 | 75.2 Ų | 75.2 | 32% | 0.32 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -66.3 | -39.2 | -179.9 | -73.9 | -60.8 | -62.9 | 0 | 0 | 113 | V511 S522 L547 A548 | V511-M526 HydrophobicContact CG1-SD 4.29Å; V511-M526 HydrophobicContact CG2-SD 4.24Å; S522-M526 PolarHBondContact O-N 2.7Å; M526-L547 HydrophobicContact SD-CB 3.99Å; M526-L547 HydrophobicContact SD-CD1 3.87Å; M526-A548 VanDerWaalsContact O-CB 3.25Å; M526-A548 WeakPolarHBondContact O-CB 3.47Å; M526-A548 PolarHBondContact O-N 3.36Å; M526-A548 VanDerWaalsContact O-N 3.13Å |
| 527 | E | 90.7 | Very high | 88.1 | Confident | 156 Ų | 156 | 67.4 Ų | 67.4 | 73% | 0.729 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -129.3 | 147.6 | 177.3 | -62 | -171.2 | 171.5 | 0 | 0 | 110.3 | D546 | E527-D546 WeakPolarHBondContact CA-OD2 3.26Š|
| 528 | K | 90.1 | Very high | 88.3 | Confident | 60 Ų | 60 | 65.3 Ų | 65.3 | 26% | 0.261 | 34% | 0.342 | S | S | . | . | trans | -59.7 | 140.2 | 173 | -76.2 | 152.6 | -129.2 | -152.1 | 0 | 110.4 | S530 P544 D546 T549 | K528-S530 PolarHBondContact O-N 3.46Å; K528-P544 HydrophobicContact CD-CB 4.03Å; K528-P544 WeakPolarHBondContact CD-O 3.35Å; K528-P544 WeakPolarHBondContact CE-O 3.49Å; K528-P544 HydrophobicContact CG-CB 4.11Å; K528-P544 PolarHBondContact NZ-O 3.21Å; K528-D546 VanDerWaalsContact CE-OD1 3.25Å; K528-D546 WeakPolarHBondContact CE-OD1 3.3Å; K528-D546 WeakPolarHBondContact CE-OD2 3.41Å; K528-D546 HydrophobicContact CG-CB 3.99Å; K528-D546 WeakPolarHBondContact CG-OD2 3.27Å; K528-D546 PolarHBondContact N-OD2 3.49Å; K528-D546 IonicContact NZ-OD1 2.81Å; K528-T549 VanDerWaalsContact CE-OG1 3.26Å; K528-T549 WeakPolarHBondContact CE-OG1 3.47Å; K528-T549 PolarHBondContact NZ-OG1 2.77Å | ||
| 529 | P | 88.1 | Confident | 88.4 | Confident | 29 Ų | 29 | 70.9 Ų | 70.9 | 19% | 0.188 | 35% | 0.347 | C | S | . | . | trans | -45.5 | 133.3 | 171.6 | -31 | 36.4 | 0 | 0 | 0 | 111.8 | K531 D534 Y537 Y538 | P529-K531 PolarHBondContact O-N 3.25Å; P529-K531 VanDerWaalsContact O-N 3.14Å; P529-D534 HydrophobicContact CB-CB 4.33Å; P529-Y537 HydrophobicContact CB-CD1 4.12Å; P529-Y537 HydrophobicContact CB-CE1 4.47Å; P529-Y537 HydrophobicContact CB-CG 4.15Å; P529-Y537 HydrophobicContact CG-CD1 4.04Å; P529-Y537 HydrophobicContact CG-CD2 3.97Å; P529-Y537 HydrophobicContact CG-CE1 3.98Å; P529-Y537 HydrophobicContact CG-CE2 3.92Å; P529-Y537 HydrophobicContact CG-CG 4.03Å; P529-Y538 WeakPolarHBondContact O-CE2 3.47Å; P529-Y538 VanDerWaalsContact O-CZ 3.3Å; P529-Y538 PolarHBondContact O-OH 3.34Å | ||
| 530 | S | 85 | Confident | 88.3 | Confident | 60 Ų | 60 | 69.3 Ų | 69.3 | 42% | 0.42 | 35% | 0.346 | S | S | . | . | trans | -65 | 118.5 | -174.9 | 175 | 0 | 0 | 0 | 0 | 110.4 | K528 R532 V533 D534 | K528-S530 PolarHBondContact O-N 3.46Å; S530-R532 PolarHBondContact O-N 2.82Å; S530-V533 PolarHBondContact O-N 2.71Å; S530-D534 PolarHBondContact O-N 2.86Å | ||
| 531 | K | 83.6 | Confident | 88.2 | Confident | 136 Ų | 136 | 66.2 Ų | 66.2 | 59% | 0.591 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -9.4 | -177.9 | -168.6 | 160.3 | -171.3 | 157.5 | 0 | 115.4 | P529 Y538 | P529-K531 PolarHBondContact O-N 3.25Å; P529-K531 VanDerWaalsContact O-N 3.14Å; K531-Y538 VanDerWaalsContact CA-CE2 3.41Å; K531-Y538 HydrophobicContact CB-CD2 3.84Å; K531-Y538 HydrophobicContact CB-CE1 4.37Å; K531-Y538 HydrophobicContact CB-CE2 3.49Å; K531-Y538 VanDerWaalsContact CB-CE2 3.49Å; K531-Y538 HydrophobicContact CB-CG 4.44Å; K531-Y538 HydrophobicContact CD-CD1 3.78Å; K531-Y538 HydrophobicContact CD-CD2 4.08Å; K531-Y538 HydrophobicContact CD-CE1 3.94Å; K531-Y538 HydrophobicContact CD-CE2 4.28Å; K531-Y538 HydrophobicContact CD-CG 3.83Å; K531-Y538 HydrophobicContact CG-CD1 4.29Å; K531-Y538 HydrophobicContact CG-CD2 3.66Å; K531-Y538 HydrophobicContact CG-CE1 4.41Å; K531-Y538 HydrophobicContact CG-CE2 3.85Å; K531-Y538 HydrophobicContact CG-CG 3.89Å |
| 532 | R | 79.8 | Confident | 87.9 | Confident | 113 Ų | 113 | 73.2 Ų | 73.2 | 43% | 0.426 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -36.9 | 175.1 | -60 | 171.8 | 163.4 | -165.7 | -12.4 | 112.4 | S530 M1345 A1346 P1349 | S530-R532 PolarHBondContact O-N 2.82Å; R532-M1345 PolarHBondContact NH2-O 2.72Å; R532-A1346 HydrophobicContact CB-CB 4.24Å; R532-A1346 VanDerWaalsContact CD-O 3.26Å; R532-A1346 WeakPolarHBondContact CD-O 3.44Å; R532-A1346 HydrophobicContact CG-CB 3.83Å; R532-A1346 PolarHBondContact NE-O 2.85Å; R532-A1346 VanDerWaalsContact NE-O 3.15Å; R532-A1346 PolarHBondContact NH1-O 3.01Å; R532-A1346 VanDerWaalsContact NH1-O 3.11Å; R532-P1349 VanDerWaalsContact NH1-CG 3.33Å; R532-P1349 VanDerWaalsContact NH2-CB 3.28Å |
| 533 | V | 82 | Confident | 87.7 | Confident | 127 Ų | 127 | 80.2 Ų | 80.2 | 77% | 0.77 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -45.9 | -177.7 | -177.7 | 0 | 0 | 0 | 0 | 109.6 | S530 P535 | S530-V533 PolarHBondContact O-N 2.71Å; V533-P535 WeakPolarHBondContact O-CD 3.2Å |
| 534 | D | 83.1 | Confident | 87.7 | Confident | 34 Ų | 34 | 79 Ų | 79 | 18% | 0.182 | 39% | 0.388 | C | S | . | . | trans | -117.8 | 95.7 | 174.4 | -166.2 | -27.7 | 0 | 0 | 0 | 110.9 | P529 S530 E536 Y537 Y538 Y579 | P529-D534 HydrophobicContact CB-CB 4.33Å; S530-D534 PolarHBondContact O-N 2.86Å; D534-E536 PolarHBondContact OD1-N 2.87Å; D534-Y537 WeakPolarHBondContact OD1-CB 3.47Å; D534-Y537 PolarHBondContact OD1-N 3.42Å; D534-Y538 WeakPolarHBondContact O-CD2 3.19Å; D534-Y579 PolarHBondContact OD1-OH 2.95Å; D534-Y579 VanDerWaalsContact OD2-CE1 3.24Å; D534-Y579 WeakPolarHBondContact OD2-CE1 3.37Å; D534-Y579 VanDerWaalsContact OD2-CZ 3.22Å; D534-Y579 PolarHBondContact OD2-OH 2.81Å | ||
| 535 | P | 86.1 | Confident | 87.9 | Confident | 80 Ų | 80 | 75.6 Ų | 75.6 | 52% | 0.519 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -86.4 | -16 | 173.7 | 34.1 | -34.8 | 0 | 0 | 0 | 113.9 | V533 | V533-P535 WeakPolarHBondContact O-CD 3.2Š|
| 536 | E | 86.9 | Confident | 88 | Confident | 73 Ų | 73 | 75.9 Ų | 75.9 | 34% | 0.341 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -84.2 | -31.3 | -176.5 | -164.5 | 63.5 | -146.8 | 0 | 0 | 111.2 | D534 Y538 R539 I540 | D534-E536 PolarHBondContact OD1-N 2.87Å; E536-Y538 PolarHBondContact O-N 3.09Å; E536-R539 WeakPolarHBondContact O-CA 3.35Å; E536-R539 WeakPolarHBondContact O-CB 3.35Å; E536-R539 PolarHBondContact O-N 3.13Å; E536-R539 IonicContact OE1-CZ 3.33Å; E536-R539 IonicContact OE1-NE 3.73Å; E536-R539 PolarHBondContact OE1-NE 3.12Å; E536-R539 IonicContact OE1-NH2 2.71Å; E536-R539 PolarHBondContact OE1-NH2 2.84Å; E536-R539 WeakPolarHBondContact OE2-CD 3.3Å; E536-R539 IonicContact OE2-CZ 3.51Å; E536-R539 VanDerWaalsContact OE2-CZ 3.28Å; E536-R539 IonicContact OE2-NE 3.37Å; E536-R539 PolarHBondContact OE2-NE 2.77Å; E536-R539 IonicContact OE2-NH1 3.78Å; E536-R539 IonicContact OE2-NH2 3.77Å; E536-I540 HydrophobicContact CG-CD1 4.39Å; E536-I540 PolarHBondContact O-N 2.68Å; E536-I540 VanDerWaalsContact O-N 3.07Å |
| 537 | Y | 90.7 | Very high | 88.1 | Confident | 5 Ų | 5 | 72.8 Ų | 72.8 | 2% | 0.02 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -47.7 | -45.4 | 164.9 | -178.1 | -96.7 | 0 | 0 | 0 | 111.2 | P529 D534 R539 I540 V541 P544 Y579 | P529-Y537 HydrophobicContact CB-CD1 4.12Å; P529-Y537 HydrophobicContact CB-CE1 4.47Å; P529-Y537 HydrophobicContact CB-CG 4.15Å; P529-Y537 HydrophobicContact CG-CD1 4.04Å; P529-Y537 HydrophobicContact CG-CD2 3.97Å; P529-Y537 HydrophobicContact CG-CE1 3.98Å; P529-Y537 HydrophobicContact CG-CE2 3.92Å; P529-Y537 HydrophobicContact CG-CG 4.03Å; D534-Y537 WeakPolarHBondContact OD1-CB 3.47Å; D534-Y537 PolarHBondContact OD1-N 3.42Å; Y537-R539 PolarHBondContact O-N 2.72Å; Y537-I540 PolarHBondContact O-N 2.89Å; Y537-V541 HydrophobicContact CD1-CB 4.38Å; Y537-V541 HydrophobicContact CD2-CG2 4.06Å; Y537-V541 HydrophobicContact CE1-CB 4.1Å; Y537-V541 HydrophobicContact CE1-CG1 4.05Å; Y537-V541 HydrophobicContact CE1-CG2 4.45Å; Y537-V541 HydrophobicContact CE2-CB 4.23Å; Y537-V541 HydrophobicContact CE2-CG2 3.69Å; Y537-V541 WeakPolarHBondContact O-CA 3.18Å; Y537-V541 WeakPolarHBondContact O-CB 3.46Å; Y537-V541 PolarHBondContact O-N 3.22Å; Y537-P544 HydrophobicContact CE1-CB 3.87Å; Y537-Y579 AromaticContact CD2-CD1 3.58Å; Y537-Y579 HydrophobicContact CD2-CD1 3.58Å; Y537-Y579 HydrophobicContact CD2-CD2 4.12Å; Y537-Y579 AromaticContact CD2-CE1 3.97Å; Y537-Y579 HydrophobicContact CD2-CE1 3.97Å; Y537-Y579 AromaticContact CD2-CG 3.64Å; Y537-Y579 HydrophobicContact CD2-CG 3.64Å; Y537-Y579 HydrophobicContact CE2-CD1 4.32Å; Y537-Y579 HydrophobicContact CE2-CG 4.32Å |
| 538 | Y | 90.1 | Very high | 88.3 | Confident | 54 Ų | 54 | 67.5 Ų | 67.5 | 21% | 0.212 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -78.7 | 1.9 | 178.8 | -67.1 | -91.7 | 0 | 0 | 0 | 115.2 | P529 K531 D534 E536 P544 | P529-Y538 WeakPolarHBondContact O-CE2 3.47Å; P529-Y538 VanDerWaalsContact O-CZ 3.3Å; P529-Y538 PolarHBondContact O-OH 3.34Å; K531-Y538 VanDerWaalsContact CA-CE2 3.41Å; K531-Y538 HydrophobicContact CB-CD2 3.84Å; K531-Y538 HydrophobicContact CB-CE1 4.37Å; K531-Y538 HydrophobicContact CB-CE2 3.49Å; K531-Y538 VanDerWaalsContact CB-CE2 3.49Å; K531-Y538 HydrophobicContact CB-CG 4.44Å; K531-Y538 HydrophobicContact CD-CD1 3.78Å; K531-Y538 HydrophobicContact CD-CD2 4.08Å; K531-Y538 HydrophobicContact CD-CE1 3.94Å; K531-Y538 HydrophobicContact CD-CE2 4.28Å; K531-Y538 HydrophobicContact CD-CG 3.83Å; K531-Y538 HydrophobicContact CG-CD1 4.29Å; K531-Y538 HydrophobicContact CG-CD2 3.66Å; K531-Y538 HydrophobicContact CG-CE1 4.41Å; K531-Y538 HydrophobicContact CG-CE2 3.85Å; K531-Y538 HydrophobicContact CG-CG 3.89Å; D534-Y538 WeakPolarHBondContact O-CD2 3.19Å; E536-Y538 PolarHBondContact O-N 3.09Å; Y538-P544 HydrophobicContact CD1-CG 4.1Å; Y538-P544 HydrophobicContact CE1-CB 4.16Å; Y538-P544 HydrophobicContact CE1-CG 3.8Å |
| 539 | R | 85.9 | Confident | 88.4 | Confident | 167 Ų | 167 | 67 Ų | 67 | 63% | 0.63 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -98 | -34.8 | 167.6 | -75.9 | 173.7 | 35.5 | 148.6 | -10.3 | 111.7 | E536 Y537 | E536-R539 WeakPolarHBondContact O-CA 3.35Å; E536-R539 WeakPolarHBondContact O-CB 3.35Å; E536-R539 PolarHBondContact O-N 3.13Å; E536-R539 IonicContact OE1-CZ 3.33Å; E536-R539 IonicContact OE1-NE 3.73Å; E536-R539 PolarHBondContact OE1-NE 3.12Å; E536-R539 IonicContact OE1-NH2 2.71Å; E536-R539 PolarHBondContact OE1-NH2 2.84Å; E536-R539 WeakPolarHBondContact OE2-CD 3.3Å; E536-R539 IonicContact OE2-CZ 3.51Å; E536-R539 VanDerWaalsContact OE2-CZ 3.28Å; E536-R539 IonicContact OE2-NE 3.37Å; E536-R539 PolarHBondContact OE2-NE 2.77Å; E536-R539 IonicContact OE2-NH1 3.78Å; E536-R539 IonicContact OE2-NH2 3.77Å; Y537-R539 PolarHBondContact O-N 2.72Å |
| 540 | I | 88.5 | Confident | 88.8 | Confident | 67 Ų | 67 | 65.6 Ų | 65.6 | 34% | 0.344 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -85.1 | -51.6 | 178.9 | -65.8 | 175.8 | 0 | 0 | 0 | 110.9 | E536 Y537 L542 L578 Y579 | E536-I540 HydrophobicContact CG-CD1 4.39Å; E536-I540 PolarHBondContact O-N 2.68Å; E536-I540 VanDerWaalsContact O-N 3.07Å; Y537-I540 PolarHBondContact O-N 2.89Å; I540-L542 PolarHBondContact O-N 3.12Å; I540-L578 HydrophobicContact CG2-CD1 4.48Å; I540-L578 HydrophobicContact CG2-CD2 4.09Å; I540-L578 HydrophobicContact CG2-CG 3.79Å; I540-Y579 HydrophobicContact CB-CD2 4.17Å; I540-Y579 HydrophobicContact CD1-CD2 3.88Å; I540-Y579 HydrophobicContact CD1-CE2 3.97Å; I540-Y579 HydrophobicContact CG2-CD2 4.3Å |
| 541 | V | 89.2 | Confident | 89.3 | Confident | 3 Ų | 3 | 65.6 Ų | 65.6 | 2% | 0.018 | 33% | 0.325 | C | S | . | . | trans | -84.9 | 105.4 | -179.3 | 171.4 | 0 | 0 | 0 | 0 | 111 | Y537 P544 N575 | Y537-V541 HydrophobicContact CD1-CB 4.38Å; Y537-V541 HydrophobicContact CD2-CG2 4.06Å; Y537-V541 HydrophobicContact CE1-CB 4.1Å; Y537-V541 HydrophobicContact CE1-CG1 4.05Å; Y537-V541 HydrophobicContact CE1-CG2 4.45Å; Y537-V541 HydrophobicContact CE2-CB 4.23Å; Y537-V541 HydrophobicContact CE2-CG2 3.69Å; Y537-V541 WeakPolarHBondContact O-CA 3.18Å; Y537-V541 WeakPolarHBondContact O-CB 3.46Å; Y537-V541 PolarHBondContact O-N 3.22Å; V541-P544 HydrophobicContact CG1-CB 4.03Å; V541-N575 HydrophobicContact CG1-CB 3.95Å; V541-N575 VanDerWaalsContact CG1-CG 3.43Å; V541-N575 WeakPolarHBondContact CG1-OD1 3.44Å; V541-N575 HydrophobicContact CG2-CB 4.01Å | ||
| 542 | L | 85.7 | Confident | 89.7 | Confident | 154 Ų | 154 | 61.5 Ų | 61.5 | 81% | 0.806 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -77.4 | -20.3 | -177.9 | -60.5 | 179.6 | 0 | 0 | 0 | 114.4 | I540 | I540-L542 PolarHBondContact O-N 3.12Š|
| 543 | K | 89.3 | Confident | 90.3 | Very high | 150 Ų | 150 | 56.6 Ų | 56.6 | 65% | 0.652 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -136.2 | 71.8 | -176.5 | -66.8 | -177.9 | -179 | 175.9 | 0 | 111.5 | V545 L571 N575 | K543-V545 PolarHBondContact O-N 2.54Å; K543-L571 HydrophobicContact CB-CD1 4.18Å; K543-L571 HydrophobicContact CB-CD2 4.05Å; K543-L571 HydrophobicContact CD-CD2 4.36Å; K543-N575 PolarHBondContact O-ND2 2.85Å |
| 544 | P | 91.4 | Very high | 90.9 | Very high | 39 Ų | 39 | 50.7 Ų | 50.7 | 25% | 0.253 | 26% | 0.263 | S | S | . | . | trans | -69.8 | 125.1 | -174.9 | 29.6 | -36.7 | 0 | 0 | 0 | 112.4 | K528 Y537 Y538 V541 | K528-P544 HydrophobicContact CD-CB 4.03Å; K528-P544 WeakPolarHBondContact CD-O 3.35Å; K528-P544 WeakPolarHBondContact CE-O 3.49Å; K528-P544 HydrophobicContact CG-CB 4.11Å; K528-P544 PolarHBondContact NZ-O 3.21Å; Y537-P544 HydrophobicContact CE1-CB 3.87Å; Y538-P544 HydrophobicContact CD1-CG 4.1Å; Y538-P544 HydrophobicContact CE1-CB 4.16Å; Y538-P544 HydrophobicContact CE1-CG 3.8Å; V541-P544 HydrophobicContact CG1-CB 4.03Å | ||
| 545 | V | 93.1 | Very high | 91.2 | Very high | 8 Ų | 8 | 52.4 Ų | 52.4 | 5% | 0.048 | 27% | 0.273 | C | S | . | . | trans | -128.2 | 157.1 | 178.8 | 66.9 | 0 | 0 | 0 | 0 | 108.9 | K543 T549 I550 L571 L572 | K543-V545 PolarHBondContact O-N 2.54Å; V545-T549 HydrophobicContact CG2-CG2 4.26Å; V545-I550 HydrophobicContact CG2-CD1 4.37Å; V545-I550 HydrophobicContact CG2-CG1 4.07Å; V545-L571 HydrophobicContact CB-CD2 4.46Å; V545-L571 HydrophobicContact CG1-CB 4.22Å; V545-L571 HydrophobicContact CG1-CD2 4.15Å; V545-L571 HydrophobicContact CG1-CG 3.86Å; V545-L572 HydrophobicContact CG1-CB 3.86Å; V545-L572 HydrophobicContact CG1-CD1 4.25Å; V545-L572 WeakPolarHBondContact O-CD1 3.38Å | ||
| 546 | D | 94.5 | Very high | 91.3 | Very high | 14 Ų | 14 | 51.5 Ų | 51.5 | 8% | 0.075 | 27% | 0.271 | C | S | . | . | trans | -146.3 | 165.7 | 177.3 | 51.3 | 22.3 | 0 | 0 | 0 | 109.8 | E527 K528 A548 T549 I550 | E527-D546 WeakPolarHBondContact CA-OD2 3.26Å; K528-D546 VanDerWaalsContact CE-OD1 3.25Å; K528-D546 WeakPolarHBondContact CE-OD1 3.3Å; K528-D546 WeakPolarHBondContact CE-OD2 3.41Å; K528-D546 HydrophobicContact CG-CB 3.99Å; K528-D546 WeakPolarHBondContact CG-OD2 3.27Å; K528-D546 PolarHBondContact N-OD2 3.49Å; K528-D546 IonicContact NZ-OD1 2.81Å; D546-A548 PolarHBondContact O-N 3.1Å; D546-T549 WeakPolarHBondContact O-CB 3.37Å; D546-T549 PolarHBondContact O-N 2.76Å; D546-T549 VanDerWaalsContact O-N 3.11Å; D546-T549 WeakPolarHBondContact OD1-CA 3.43Å; D546-T549 WeakPolarHBondContact OD1-CB 3.47Å; D546-T549 PolarHBondContact OD1-N 3.46Å; D546-T549 PolarHBondContact OD1-OG1 3.39Å; D546-I550 PolarHBondContact O-N 3.36Å; D546-I550 VanDerWaalsContact O-N 3.14Å | ||
| 547 | L | 96.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.9 | -33 | -180 | -63.3 | 164.6 | 0 | 0 | 0 | 111.4 | Y507 V511 F525 M526 T549 I550 K551 F569 L572 | Y507-L547 HydrophobicContact CE2-CB 4.13Å; Y507-L547 HydrophobicContact CE2-CD2 4.49Å; Y507-L547 WeakPolarHBondContact CE2-O 3.47Å; V511-L547 HydrophobicContact CG2-CD1 4.16Å; F525-L547 HydrophobicContact CB-CD1 3.92Å; F525-L547 HydrophobicContact CB-CG 4.35Å; F525-L547 WeakPolarHBondContact O-CG 3.46Å; F525-L547 PolarHBondContact O-N 2.99Å; M526-L547 HydrophobicContact SD-CB 3.99Å; M526-L547 HydrophobicContact SD-CD1 3.87Å; L547-T549 PolarHBondContact O-N 2.99Å; L547-I550 HydrophobicContact CD2-CD1 4.47Å; L547-I550 PolarHBondContact O-N 3.4Å; L547-K551 WeakPolarHBondContact O-CB 3.25Å; L547-K551 PolarHBondContact O-N 2.79Å; L547-F569 HydrophobicContact CD2-CD1 4.28Å; L547-F569 HydrophobicContact CD2-CE1 3.53Å; L547-F569 HydrophobicContact CD2-CZ 4.19Å; L547-L572 HydrophobicContact CD2-CD2 3.6Å; L547-L572 HydrophobicContact CG-CD2 3.77Å |
| 548 | A | 93.9 | Very high | 91.3 | Very high | 44 Ų | 44 | 56 Ų | 56 | 36% | 0.364 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60 | -43.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | M526 D546 I550 K551 A552 | M526-A548 VanDerWaalsContact O-CB 3.25Å; M526-A548 WeakPolarHBondContact O-CB 3.47Å; M526-A548 PolarHBondContact O-N 3.36Å; M526-A548 VanDerWaalsContact O-N 3.13Å; D546-A548 PolarHBondContact O-N 3.1Å; A548-I550 VanDerWaalsContact C-N 3.34Å; A548-I550 PolarHBondContact O-N 3.17Å; A548-K551 PolarHBondContact O-N 2.54Å; A548-A552 WeakPolarHBondContact O-CB 3.11Å; A548-A552 PolarHBondContact O-N 3.48Å |
| 549 | T | 93.3 | Very high | 91.2 | Very high | 50 Ų | 50 | 54.1 Ų | 54.1 | 31% | 0.307 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.9 | -40.2 | 175.2 | -61.5 | 0 | 0 | 0 | 0 | 111.5 | K528 V545 D546 L547 S553 | K528-T549 VanDerWaalsContact CE-OG1 3.26Å; K528-T549 WeakPolarHBondContact CE-OG1 3.47Å; K528-T549 PolarHBondContact NZ-OG1 2.77Å; V545-T549 HydrophobicContact CG2-CG2 4.26Å; D546-T549 WeakPolarHBondContact O-CB 3.37Å; D546-T549 PolarHBondContact O-N 2.76Å; D546-T549 VanDerWaalsContact O-N 3.11Å; D546-T549 WeakPolarHBondContact OD1-CA 3.43Å; D546-T549 WeakPolarHBondContact OD1-CB 3.47Å; D546-T549 PolarHBondContact OD1-N 3.46Å; D546-T549 PolarHBondContact OD1-OG1 3.39Å; L547-T549 PolarHBondContact O-N 2.99Å; T549-S553 WeakPolarHBondContact O-CB 3.44Å; T549-S553 PolarHBondContact O-N 2.78Å; T549-S553 PolarHBondContact O-OG 3.1Å |
| 550 | I | 95.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.7 | -49.6 | 177.5 | -65.6 | 171.2 | 0 | 0 | 0 | 109.7 | Y507 V545 D546 L547 A548 A552 S553 I554 M565 D568 F569 L572 | Y507-I550 HydrophobicContact CD2-CG2 4.28Å; V545-I550 HydrophobicContact CG2-CD1 4.37Å; V545-I550 HydrophobicContact CG2-CG1 4.07Å; D546-I550 PolarHBondContact O-N 3.36Å; D546-I550 VanDerWaalsContact O-N 3.14Å; L547-I550 HydrophobicContact CD2-CD1 4.47Å; L547-I550 PolarHBondContact O-N 3.4Å; A548-I550 VanDerWaalsContact C-N 3.34Å; A548-I550 PolarHBondContact O-N 3.17Å; I550-A552 PolarHBondContact O-N 3.2Å; I550-S553 CarbonylContact O-C 3.48Å; I550-S553 WeakPolarHBondContact O-CA 3.27Å; I550-S553 WeakPolarHBondContact O-CB 3.42Å; I550-S553 PolarHBondContact O-N 3.04Å; I550-I554 HydrophobicContact CG2-CD1 4.42Å; I550-I554 PolarHBondContact O-N 2.94Å; I550-M565 HydrophobicContact CG2-CG 4.39Å; I550-D568 HydrophobicContact CD1-CB 4.28Å; I550-D568 HydrophobicContact CG1-CB 4.03Å; I550-F569 HydrophobicContact CD1-CD1 4.22Å; I550-F569 HydrophobicContact CD1-CD2 4.19Å; I550-F569 HydrophobicContact CD1-CE1 4.41Å; I550-F569 HydrophobicContact CD1-CE2 4.4Å; I550-F569 HydrophobicContact CD1-CG 4.11Å; I550-F569 HydrophobicContact CD1-CZ 4.5Å; I550-F569 HydrophobicContact CG2-CD2 4.22Å; I550-F569 HydrophobicContact CG2-CE2 3.67Å; I550-F569 HydrophobicContact CG2-CZ 4.09Å; I550-L572 HydrophobicContact CD1-CD2 4.36Å |
| 551 | K | 96.3 | Very high | 91.2 | Very high | 59 Ų | 59 | 49.2 Ų | 49.2 | 26% | 0.257 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -56.6 | -49 | 177.3 | -174.1 | 54.7 | 168.3 | 72.6 | 0 | 112.4 | L504 Y507 L547 A548 S553 I554 D555 | L504-K551 HydrophobicContact CD2-CD 4.01Å; Y507-K551 HydrophobicContact CD1-CD 3.98Å; Y507-K551 HydrophobicContact CD2-CB 4.43Å; Y507-K551 HydrophobicContact CE1-CB 4.36Å; Y507-K551 HydrophobicContact CE1-CD 3.75Å; Y507-K551 HydrophobicContact CE1-CG 4.22Å; Y507-K551 HydrophobicContact CE2-CB 3.68Å; Y507-K551 HydrophobicContact CE2-CD 4.31Å; Y507-K551 HydrophobicContact CE2-CG 4.4Å; Y507-K551 HydrophobicContact CG-CD 4.37Å; L547-K551 WeakPolarHBondContact O-CB 3.25Å; L547-K551 PolarHBondContact O-N 2.79Å; A548-K551 PolarHBondContact O-N 2.54Å; K551-S553 PolarHBondContact O-N 3.26Å; K551-S553 VanDerWaalsContact O-N 3.08Å; K551-I554 PolarHBondContact O-N 2.87Å; K551-I554 VanDerWaalsContact O-N 3.16Å; K551-D555 IonicContact NZ-OD1 3.65Å; K551-D555 PolarHBondContact NZ-OD1 3.1Å; K551-D555 IonicContact NZ-OD2 2.93Å; K551-D555 PolarHBondContact NZ-OD2 3.06Å; K551-D555 WeakPolarHBondContact O-CB 3.25Å; K551-D555 VanDerWaalsContact O-CG 3.31Å; K551-D555 PolarHBondContact O-N 3.36Å |
| 552 | A | 92 | Very high | 91.4 | Very high | 50 Ų | 50 | 49.1 Ų | 49.1 | 41% | 0.413 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65 | -9.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | A548 I550 A556 K558 | A548-A552 WeakPolarHBondContact O-CB 3.11Å; A548-A552 PolarHBondContact O-N 3.48Å; I550-A552 PolarHBondContact O-N 3.2Å; A552-A556 VanDerWaalsContact O-CB 3.29Å; A552-A556 WeakPolarHBondContact O-CB 3.45Å; A552-K558 PolarHBondContact O-NZ 2.94Å |
| 553 | S | 92.5 | Very high | 91.6 | Very high | 10 Ų | 10 | 45 Ų | 45 | 7% | 0.07 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -100.1 | -28.8 | 175.1 | -58.7 | 0 | 0 | 0 | 0 | 112.7 | T549 I550 K551 K558 | T549-S553 WeakPolarHBondContact O-CB 3.44Å; T549-S553 PolarHBondContact O-N 2.78Å; T549-S553 PolarHBondContact O-OG 3.1Å; I550-S553 CarbonylContact O-C 3.48Å; I550-S553 WeakPolarHBondContact O-CA 3.27Å; I550-S553 WeakPolarHBondContact O-CB 3.42Å; I550-S553 PolarHBondContact O-N 3.04Å; K551-S553 PolarHBondContact O-N 3.26Å; K551-S553 VanDerWaalsContact O-N 3.08Å; S553-K558 WeakPolarHBondContact O-CB 3.29Å; S553-K558 PolarHBondContact O-N 3.34Å; S553-K558 PolarHBondContact OG-NZ 3.42Å |
| 554 | I | 93.8 | Very high | 91.6 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.015 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.5 | -48.8 | 162.7 | -55.5 | 172.2 | 0 | 0 | 0 | 110.1 | K500 L503 L504 Y507 I550 K551 A556 D557 Y559 M565 | K500-I554 VanDerWaalsContact CE-O 3.29Å; K500-I554 WeakPolarHBondContact CE-O 3.43Å; K500-I554 HydrophobicContact CG-CG2 4.36Å; L503-I554 HydrophobicContact CB-CD1 4.31Å; L503-I554 HydrophobicContact CB-CG1 4.41Å; L503-I554 HydrophobicContact CB-CG2 3.93Å; L503-I554 HydrophobicContact CD1-CG2 4.46Å; L504-I554 HydrophobicContact CD2-CB 4.43Å; L504-I554 HydrophobicContact CD2-CG2 3.75Å; L504-I554 HydrophobicContact CG-CG2 3.87Å; Y507-I554 HydrophobicContact CD2-CD1 4.19Å; Y507-I554 HydrophobicContact CG-CD1 4.19Å; I550-I554 HydrophobicContact CG2-CD1 4.42Å; I550-I554 PolarHBondContact O-N 2.94Å; K551-I554 PolarHBondContact O-N 2.87Å; K551-I554 VanDerWaalsContact O-N 3.16Å; I554-A556 VanDerWaalsContact C-N 3.3Å; I554-A556 PolarHBondContact O-N 3.01Å; I554-D557 PolarHBondContact O-N 3.34Å; I554-D557 VanDerWaalsContact O-N 3.14Å; I554-Y559 HydrophobicContact CG1-CD2 3.94Å; I554-Y559 HydrophobicContact CG1-CE2 3.79Å; I554-M565 HydrophobicContact CD1-SD 3.79Å; I554-M565 HydrophobicContact CG1-SD 4.14Å |
| 555 | D | 89.9 | Confident | 91.8 | Very high | 71 Ų | 71 | 37.9 Ų | 37.9 | 38% | 0.38 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.3 | -34.8 | -175.6 | -69 | -24.4 | 0 | 0 | 0 | 112.6 | K500 K551 D557 | K500-D555 PolarHBondContact NZ-O 3.09Å; K551-D555 IonicContact NZ-OD1 3.65Å; K551-D555 PolarHBondContact NZ-OD1 3.1Å; K551-D555 IonicContact NZ-OD2 2.93Å; K551-D555 PolarHBondContact NZ-OD2 3.06Å; K551-D555 WeakPolarHBondContact O-CB 3.25Å; K551-D555 VanDerWaalsContact O-CG 3.31Å; K551-D555 PolarHBondContact O-N 3.36Å; D555-D557 VanDerWaalsContact C-N 3.33Å |
| 556 | A | 87.8 | Confident | 91.8 | Very high | 60 Ų | 60 | 38.1 Ų | 38.1 | 50% | 0.496 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 18.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | A552 I554 K558 | A552-A556 VanDerWaalsContact O-CB 3.29Å; A552-A556 WeakPolarHBondContact O-CB 3.45Å; I554-A556 VanDerWaalsContact C-N 3.3Å; I554-A556 PolarHBondContact O-N 3.01Å; A556-K558 VanDerWaalsContact C-N 3.27Å; A556-K558 HydrophobicContact CB-CG 4.08Å; A556-K558 PolarHBondContact O-N 3.49Å; A556-K558 VanDerWaalsContact O-N 3.16Å |
| 557 | D | 89.2 | Confident | 91.7 | Very high | 56 Ų | 56 | 40.1 Ų | 40.1 | 30% | 0.299 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 33.8 | 173.5 | -61.3 | -24.7 | 0 | 0 | 0 | 115 | F496 K500 I554 D555 R611 | F496-D557 HydrophobicContact CZ-CB 4.08Å; K500-D557 WeakPolarHBondContact CD-OD1 3.35Å; K500-D557 WeakPolarHBondContact CE-OD1 3.42Å; K500-D557 IonicContact NZ-OD1 2.68Å; K500-D557 PolarHBondContact NZ-OD1 3.17Å; K500-D557 IonicContact NZ-OD2 2.8Å; I554-D557 PolarHBondContact O-N 3.34Å; I554-D557 VanDerWaalsContact O-N 3.14Å; D555-D557 VanDerWaalsContact C-N 3.33Å; D557-R611 PolarHBondContact O-NH1 3.08Å |
| 558 | K | 87.6 | Confident | 91.7 | Very high | 117 Ų | 117 | 42.4 Ų | 42.4 | 51% | 0.509 | 26% | 0.264 | S | S | . | . | trans | -81.8 | -23.2 | -172.9 | -55 | -169.3 | -167.1 | 110.8 | 0 | 114.5 | A552 S553 A556 | A552-K558 PolarHBondContact O-NZ 2.94Å; S553-K558 WeakPolarHBondContact O-CB 3.29Å; S553-K558 PolarHBondContact O-N 3.34Å; S553-K558 PolarHBondContact OG-NZ 3.42Å; A556-K558 VanDerWaalsContact C-N 3.27Å; A556-K558 HydrophobicContact CB-CG 4.08Å; A556-K558 PolarHBondContact O-N 3.49Å; A556-K558 VanDerWaalsContact O-N 3.16Å | ||
| 559 | Y | 89.9 | Confident | 91.8 | Very high | 15 Ų | 15 | 40.3 Ų | 40.3 | 6% | 0.059 | 25% | 0.247 | C | C | . | . | trans | -88.7 | 113.2 | -176.7 | -61.9 | -58.7 | 0 | 0 | 0 | 111.5 | Y499 L503 I554 S561 A564 M565 D568 | Y499-Y559 PolarHBondContact OH-O 3.04Å; L503-Y559 HydrophobicContact CD1-CD2 4.42Å; I554-Y559 HydrophobicContact CG1-CD2 3.94Å; I554-Y559 HydrophobicContact CG1-CE2 3.79Å; Y559-S561 VanDerWaalsContact C-N 3.3Å; Y559-A564 HydrophobicContact CD1-CB 4.02Å; Y559-A564 WeakPolarHBondContact CE1-O 3.43Å; Y559-M565 HydrophobicContact CD1-CB 4.11Å; Y559-M565 HydrophobicContact CD2-CB 3.85Å; Y559-M565 HydrophobicContact CD2-CG 4.04Å; Y559-M565 HydrophobicContact CE1-CB 4.28Å; Y559-M565 HydrophobicContact CE2-CB 4.01Å; Y559-M565 HydrophobicContact CE2-CG 3.84Å; Y559-M565 HydrophobicContact CG-CB 3.9Å; Y559-D568 WeakPolarHBondContact CE1-OD2 3.42Å; Y559-D568 PolarHBondContact OH-OD2 2.79Å | ||
| 560 | D | 84.1 | Confident | 91.9 | Very high | 102 Ų | 102 | 41.6 Ų | 41.6 | 55% | 0.545 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -80.5 | -7.1 | 175.2 | -72.7 | -41.4 | 0 | 0 | 0 | 113.8 | R611 | D560-R611 WeakPolarHBondContact O-CB 3.43Å; D560-R611 PolarHBondContact O-N 3.02Å; D560-R611 WeakPolarHBondContact OD1-CD 3.31Å; D560-R611 IonicContact OD1-CZ 2.73Å; D560-R611 IonicContact OD1-NE 3.87Å; D560-R611 IonicContact OD1-NH1 2.87Å; D560-R611 PolarHBondContact OD1-NH1 3.37Å |
| 561 | S | 90.2 | Very high | 91.8 | Very high | 29 Ų | 29 | 43.9 Ų | 43.9 | 20% | 0.203 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -153.9 | 161.4 | 167.6 | 69.4 | 0 | 0 | 0 | 0 | 111.5 | Y499 Y559 S563 A564 M565 T609 | Y499-S561 VanDerWaalsContact OH-C 3.32Å; Y499-S561 VanDerWaalsContact OH-CA 3.29Å; Y499-S561 WeakPolarHBondContact OH-CA 3.49Å; Y499-S561 PolarHBondContact OH-N 3.45Å; Y559-S561 VanDerWaalsContact C-N 3.3Å; S561-S563 PolarHBondContact O-N 2.96Å; S561-S563 PolarHBondContact OG-N 3.08Å; S561-A564 WeakPolarHBondContact O-CB 3.17Å; S561-A564 PolarHBondContact O-N 3.1Å; S561-A564 VanDerWaalsContact O-N 3.12Å; S561-A564 PolarHBondContact OG-N 3.29Å; S561-A564 VanDerWaalsContact OG-N 3.14Å; S561-M565 PolarHBondContact O-N 3.34Å; S561-T609 WeakPolarHBondContact CA-O 3.45Å |
| 562 | S | 91.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.8 | -25.6 | 170.5 | 65.5 | 0 | 0 | 0 | 0 | 112.8 | M565 A566 S608 T609 | S562-M565 WeakPolarHBondContact O-CB 3.3Å; S562-M565 PolarHBondContact O-N 3.2Å; S562-A566 PolarHBondContact O-N 3.17Å; S562-S608 WeakPolarHBondContact OG-CA 3.43Å; S562-T609 PolarHBondContact N-O 3.43Å; S562-T609 PolarHBondContact OG-N 3.36Å; S562-T609 VanDerWaalsContact OG-N 3.1Å |
| 563 | S | 90.1 | Very high | 91.9 | Very high | 68 Ų | 68 | 38.9 Ų | 38.9 | 48% | 0.476 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -67.2 | -33.2 | 171.7 | 165.6 | 0 | 0 | 0 | 0 | 112.6 | S561 M565 A566 A567 | S561-S563 PolarHBondContact O-N 2.96Å; S561-S563 PolarHBondContact OG-N 3.08Å; S563-M565 VanDerWaalsContact C-N 3.32Å; S563-A566 PolarHBondContact O-N 3.09Å; S563-A567 PolarHBondContact O-N 3.38Å |
| 564 | A | 90.6 | Very high | 91.9 | Very high | 40 Ų | 40 | 43.3 Ų | 43.3 | 33% | 0.331 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -68.9 | -32 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y559 S561 | Y559-A564 HydrophobicContact CD1-CB 4.02Å; Y559-A564 WeakPolarHBondContact CE1-O 3.43Å; S561-A564 WeakPolarHBondContact O-CB 3.17Å; S561-A564 PolarHBondContact O-N 3.1Å; S561-A564 VanDerWaalsContact O-N 3.12Å; S561-A564 PolarHBondContact OG-N 3.29Å; S561-A564 VanDerWaalsContact OG-N 3.14Å |
| 565 | M | 94.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70.9 | -40.1 | 170.2 | -175.5 | -171.9 | 75.4 | 0 | 0 | 111.3 | L503 V506 I550 I554 Y559 S561 S562 S563 A567 D568 F569 F597 M601 | L503-M565 HydrophobicContact CB-SD 3.84Å; L503-M565 HydrophobicContact CD1-SD 4.43Å; L503-M565 HydrophobicContact CD2-CE 4Å; L503-M565 HydrophobicContact CD2-SD 3.87Å; L503-M565 HydrophobicContact CG-SD 4.24Å; V506-M565 HydrophobicContact CB-CE 3.83Å; V506-M565 HydrophobicContact CG1-CE 3.69Å; V506-M565 HydrophobicContact CG2-CE 4.34Å; I550-M565 HydrophobicContact CG2-CG 4.39Å; I554-M565 HydrophobicContact CD1-SD 3.79Å; I554-M565 HydrophobicContact CG1-SD 4.14Å; Y559-M565 HydrophobicContact CD1-CB 4.11Å; Y559-M565 HydrophobicContact CD2-CB 3.85Å; Y559-M565 HydrophobicContact CD2-CG 4.04Å; Y559-M565 HydrophobicContact CE1-CB 4.28Å; Y559-M565 HydrophobicContact CE2-CB 4.01Å; Y559-M565 HydrophobicContact CE2-CG 3.84Å; Y559-M565 HydrophobicContact CG-CB 3.9Å; S561-M565 PolarHBondContact O-N 3.34Å; S562-M565 WeakPolarHBondContact O-CB 3.3Å; S562-M565 PolarHBondContact O-N 3.2Å; S563-M565 VanDerWaalsContact C-N 3.32Å; M565-A567 VanDerWaalsContact C-N 3.35Å; M565-A567 PolarHBondContact O-N 3.2Å; M565-D568 PolarHBondContact O-N 2.76Å; M565-F569 HydrophobicContact CE-CE2 4.2Å; M565-F569 HydrophobicContact CG-CD2 4.06Å; M565-F569 HydrophobicContact CG-CE2 3.97Å; M565-F569 PolarHBondContact O-N 3Å; M565-F569 HydrophobicContact SD-CE2 4.18Å; M565-F597 HydrophobicContact CE-CE2 4.37Å; M565-M601 HydrophobicContact CE-SD 4Å |
| 566 | A | 93.8 | Very high | 91.9 | Very high | 12 Ų | 12 | 40.5 Ų | 40.5 | 10% | 0.099 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.5 | -43.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S562 S563 D568 F569 D570 F597 M601 | S562-A566 PolarHBondContact O-N 3.17Å; S563-A566 PolarHBondContact O-N 3.09Å; A566-D568 PolarHBondContact O-N 3.42Å; A566-D568 VanDerWaalsContact O-N 3.11Å; A566-F569 CarbonylContact O-C 2.93Å; A566-F569 WeakPolarHBondContact O-CA 3.29Å; A566-F569 WeakPolarHBondContact O-CB 3.48Å; A566-F569 PolarHBondContact O-N 2.85Å; A566-D570 PolarHBondContact O-N 2.85Å; A566-F597 HydrophobicContact CB-CE1 4.04Å; A566-F597 HydrophobicContact CB-CZ 3.73Å; A566-M601 HydrophobicContact CB-CE 4.04Å |
| 567 | A | 93.1 | Very high | 92 | Very high | 56 Ų | 56 | 39.8 Ų | 39.8 | 46% | 0.463 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -58.2 | -28.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | S563 M565 L571 | S563-A567 PolarHBondContact O-N 3.38Å; M565-A567 VanDerWaalsContact C-N 3.35Å; M565-A567 PolarHBondContact O-N 3.2Å; A567-L571 VanDerWaalsContact O-CB 3.23Å; A567-L571 WeakPolarHBondContact O-CB 3.43Å; A567-L571 PolarHBondContact O-N 3.42Å; A567-L571 VanDerWaalsContact O-N 3.15Å |
| 568 | D | 95.1 | Very high | 92.1 | Very high | 48 Ų | 48 | 42.4 Ų | 42.4 | 26% | 0.257 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -82.1 | -29.4 | 173.9 | -79 | -15.2 | 0 | 0 | 0 | 112.5 | I550 Y559 M565 A566 L572 | I550-D568 HydrophobicContact CD1-CB 4.28Å; I550-D568 HydrophobicContact CG1-CB 4.03Å; Y559-D568 WeakPolarHBondContact CE1-OD2 3.42Å; Y559-D568 PolarHBondContact OH-OD2 2.79Å; M565-D568 PolarHBondContact O-N 2.76Å; A566-D568 PolarHBondContact O-N 3.42Å; A566-D568 VanDerWaalsContact O-N 3.11Å; D568-L572 PolarHBondContact O-N 3.46Å |
| 569 | F | 96.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -71.3 | -45.4 | 169.3 | -87.9 | -80.8 | 0 | 0 | 0 | 111.8 | Y507 V510 L547 I550 M565 A566 L571 L572 F573 F597 | Y507-F569 HydrophobicContact CD2-CZ 4.18Å; V510-F569 HydrophobicContact CB-CE1 4.11Å; V510-F569 HydrophobicContact CG1-CE1 4.04Å; V510-F569 HydrophobicContact CG2-CE1 4.04Å; L547-F569 HydrophobicContact CD2-CD1 4.28Å; L547-F569 HydrophobicContact CD2-CE1 3.53Å; L547-F569 HydrophobicContact CD2-CZ 4.19Å; I550-F569 HydrophobicContact CD1-CD1 4.22Å; I550-F569 HydrophobicContact CD1-CD2 4.19Å; I550-F569 HydrophobicContact CD1-CE1 4.41Å; I550-F569 HydrophobicContact CD1-CE2 4.4Å; I550-F569 HydrophobicContact CD1-CG 4.11Å; I550-F569 HydrophobicContact CD1-CZ 4.5Å; I550-F569 HydrophobicContact CG2-CD2 4.22Å; I550-F569 HydrophobicContact CG2-CE2 3.67Å; I550-F569 HydrophobicContact CG2-CZ 4.09Å; M565-F569 HydrophobicContact CE-CE2 4.2Å; M565-F569 HydrophobicContact CG-CD2 4.06Å; M565-F569 HydrophobicContact CG-CE2 3.97Å; M565-F569 PolarHBondContact O-N 3Å; M565-F569 HydrophobicContact SD-CE2 4.18Å; A566-F569 CarbonylContact O-C 2.93Å; A566-F569 WeakPolarHBondContact O-CA 3.29Å; A566-F569 WeakPolarHBondContact O-CB 3.48Å; A566-F569 PolarHBondContact O-N 2.85Å; F569-L571 VanDerWaalsContact C-N 3.25Å; F569-L571 PolarHBondContact O-N 3.39Å; F569-L572 WeakPolarHBondContact O-CA 3.4Å; F569-L572 VanDerWaalsContact O-CB 3.27Å; F569-L572 WeakPolarHBondContact O-CB 3.43Å; F569-L572 PolarHBondContact O-N 3.33Å; F569-F573 HydrophobicContact CB-CE2 4.07Å; F569-F573 HydrophobicContact CD1-CE2 4.04Å; F569-F573 HydrophobicContact CD1-CZ 4Å; F569-F573 WeakPolarHBondContact O-CD2 3.42Å; F569-F573 WeakPolarHBondContact O-CG 3.48Å; F569-F573 PolarHBondContact O-N 2.91Å; F569-F597 HydrophobicContact CB-CD1 4.02Å; F569-F597 HydrophobicContact CB-CD2 4.12Å; F569-F597 HydrophobicContact CB-CE1 3.74Å; F569-F597 HydrophobicContact CB-CE2 3.85Å; F569-F597 HydrophobicContact CB-CG 4.22Å; F569-F597 HydrophobicContact CB-CZ 3.68Å; F569-F597 AromaticContact CD1-CD2 3.82Å; F569-F597 HydrophobicContact CD1-CD2 3.82Å; F569-F597 HydrophobicContact CD1-CE2 4.11Å; F569-F597 HydrophobicContact CD1-CG 4.24Å; F569-F597 AromaticContact CD2-CD2 3.92Å; F569-F597 HydrophobicContact CD2-CD2 3.92Å; F569-F597 AromaticContact CD2-CE2 3.36Å; F569-F597 HydrophobicContact CD2-CE2 3.36Å; F569-F597 AromaticContact CD2-CZ 3.85Å; F569-F597 HydrophobicContact CD2-CZ 3.85Å; F569-F597 HydrophobicContact CE1-CD2 4.14Å; F569-F597 HydrophobicContact CE2-CD2 4.23Å; F569-F597 AromaticContact CE2-CE2 3.82Å; F569-F597 HydrophobicContact CE2-CE2 3.82Å; F569-F597 HydrophobicContact CG-CD1 4.49Å; F569-F597 AromaticContact CG-CD2 3.7Å; F569-F597 HydrophobicContact CG-CD2 3.7Å; F569-F597 HydrophobicContact CG-CE1 4.34Å; F569-F597 AromaticContact CG-CE2 3.52Å; F569-F597 HydrophobicContact CG-CE2 3.52Å; F569-F597 HydrophobicContact CG-CG 4.21Å; F569-F597 AromaticContact CG-CZ 3.89Å; F569-F597 HydrophobicContact CG-CZ 3.89Å; F569-F597 HydrophobicContact CZ-CD2 4.33Å; F569-F597 HydrophobicContact CZ-CE2 4.37Å |
| 570 | D | 94.6 | Very high | 92.2 | Very high | 78 Ų | 78 | 41.9 Ų | 41.9 | 42% | 0.417 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -56.8 | -44.3 | 174 | -59.6 | -31 | 0 | 0 | 0 | 109.7 | A566 L572 F573 E574 | A566-D570 PolarHBondContact O-N 2.85Å; D570-L572 VanDerWaalsContact C-N 3.33Å; D570-L572 PolarHBondContact O-N 2.94Å; D570-F573 PolarHBondContact O-N 3.31Å; D570-E574 WeakPolarHBondContact O-CB 3.42Å; D570-E574 WeakPolarHBondContact O-CG 3.45Å; D570-E574 PolarHBondContact O-N 2.96Å |
| 571 | L | 94.5 | Very high | 92 | Very high | 47 Ų | 47 | 38.6 Ų | 38.6 | 25% | 0.246 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.3 | -36.5 | 174 | -179.4 | 61.9 | 0 | 0 | 0 | 112.8 | K543 V545 A567 F569 N575 | K543-L571 HydrophobicContact CB-CD1 4.18Å; K543-L571 HydrophobicContact CB-CD2 4.05Å; K543-L571 HydrophobicContact CD-CD2 4.36Å; V545-L571 HydrophobicContact CB-CD2 4.46Å; V545-L571 HydrophobicContact CG1-CB 4.22Å; V545-L571 HydrophobicContact CG1-CD2 4.15Å; V545-L571 HydrophobicContact CG1-CG 3.86Å; A567-L571 VanDerWaalsContact O-CB 3.23Å; A567-L571 WeakPolarHBondContact O-CB 3.43Å; A567-L571 PolarHBondContact O-N 3.42Å; A567-L571 VanDerWaalsContact O-N 3.15Å; F569-L571 VanDerWaalsContact C-N 3.25Å; F569-L571 PolarHBondContact O-N 3.39Å; L571-N575 WeakPolarHBondContact O-CB 3.44Å; L571-N575 PolarHBondContact O-N 3.4Å; L571-N575 PolarHBondContact O-ND2 3.47Å |
| 572 | L | 95.7 | Very high | 91.7 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.021 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.7 | -49 | 174.2 | 179.8 | 65 | 0 | 0 | 0 | 111.2 | F525 V545 L547 I550 D568 F569 D570 S576 | F525-L572 HydrophobicContact CB-CD1 4.37Å; F525-L572 HydrophobicContact CB-CD2 4.26Å; V545-L572 HydrophobicContact CG1-CB 3.86Å; V545-L572 HydrophobicContact CG1-CD1 4.25Å; V545-L572 WeakPolarHBondContact O-CD1 3.38Å; L547-L572 HydrophobicContact CD2-CD2 3.6Å; L547-L572 HydrophobicContact CG-CD2 3.77Å; I550-L572 HydrophobicContact CD1-CD2 4.36Å; D568-L572 PolarHBondContact O-N 3.46Å; F569-L572 WeakPolarHBondContact O-CA 3.4Å; F569-L572 VanDerWaalsContact O-CB 3.27Å; F569-L572 WeakPolarHBondContact O-CB 3.43Å; F569-L572 PolarHBondContact O-N 3.33Å; D570-L572 VanDerWaalsContact C-N 3.33Å; D570-L572 PolarHBondContact O-N 2.94Å; L572-S576 PolarHBondContact O-N 3.16Å; L572-S576 PolarHBondContact O-OG 3.44Å |
| 573 | F | 94.5 | Very high | 91.3 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 0% | 0.004 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -70.6 | -42.2 | -178.2 | -57 | -51.4 | 0 | 0 | 0 | 112.2 | V510 F569 D570 S576 K577 A590 L593 F597 | V510-F573 HydrophobicContact CG1-CZ 4.31Å; F569-F573 HydrophobicContact CB-CE2 4.07Å; F569-F573 HydrophobicContact CD1-CE2 4.04Å; F569-F573 HydrophobicContact CD1-CZ 4Å; F569-F573 WeakPolarHBondContact O-CD2 3.42Å; F569-F573 WeakPolarHBondContact O-CG 3.48Å; F569-F573 PolarHBondContact O-N 2.91Å; D570-F573 PolarHBondContact O-N 3.31Å; F573-S576 WeakPolarHBondContact O-CB 3.3Å; F573-S576 PolarHBondContact O-N 2.83Å; F573-K577 VanDerWaalsContact O-CG 3.31Å; F573-K577 WeakPolarHBondContact O-CG 3.47Å; F573-K577 PolarHBondContact O-N 3.49Å; F573-A590 HydrophobicContact CD1-CB 4.46Å; F573-A590 WeakPolarHBondContact CD1-O 3.47Å; F573-L593 HydrophobicContact CD1-CB 4.42Å; F573-L593 HydrophobicContact CE1-CB 3.51Å; F573-L593 HydrophobicContact CZ-CB 3.98Å; F573-L593 WeakPolarHBondContact CZ-O 3.37Å; F573-F597 HydrophobicContact CE2-CB 3.75Å; F573-F597 HydrophobicContact CE2-CD1 4Å; F573-F597 AromaticContact CE2-CG 3.95Å; F573-F597 HydrophobicContact CE2-CG 3.95Å; F573-F597 HydrophobicContact CZ-CB 4.03Å |
| 574 | E | 92.4 | Very high | 91.4 | Very high | 103 Ų | 103 | 46.8 Ų | 46.8 | 48% | 0.481 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.1 | -37.2 | 177.7 | -67.7 | -53.7 | 119.4 | 0 | 0 | 112.6 | D570 S576 K577 L578 | D570-E574 WeakPolarHBondContact O-CB 3.42Å; D570-E574 WeakPolarHBondContact O-CG 3.45Å; D570-E574 PolarHBondContact O-N 2.96Å; E574-S576 VanDerWaalsContact C-N 3.28Å; E574-S576 PolarHBondContact O-N 2.84Å; E574-K577 PolarHBondContact O-N 3.3Å; E574-K577 WeakPolarHBondContact OE1-CD 3.13Å; E574-K577 WeakPolarHBondContact OE1-CE 3.41Å; E574-K577 IonicContact OE1-NZ 2.78Å; E574-K577 PolarHBondContact OE1-NZ 3.47Å; E574-L578 WeakPolarHBondContact O-CB 3.46Å; E574-L578 PolarHBondContact O-N 3.06Å |
| 575 | N | 92.4 | Very high | 91.3 | Very high | 10 Ų | 10 | 48 Ų | 48 | 5% | 0.053 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.9 | -39.5 | 171.3 | -77 | -24.9 | 0 | 0 | 0 | 111.8 | V541 K543 L571 Y579 | V541-N575 HydrophobicContact CG1-CB 3.95Å; V541-N575 VanDerWaalsContact CG1-CG 3.43Å; V541-N575 WeakPolarHBondContact CG1-OD1 3.44Å; V541-N575 HydrophobicContact CG2-CB 4.01Å; K543-N575 PolarHBondContact O-ND2 2.85Å; L571-N575 WeakPolarHBondContact O-CB 3.44Å; L571-N575 PolarHBondContact O-N 3.4Å; L571-N575 PolarHBondContact O-ND2 3.47Å; N575-Y579 PolarHBondContact O-N 2.97Å |
| 576 | S | 91 | Very high | 91.1 | Very high | 4 Ų | 4 | 50 Ų | 50 | 3% | 0.028 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.8 | -48 | 178.7 | -60.6 | 0 | 0 | 0 | 0 | 111.7 | F525 L572 F573 E574 L578 Y579 Y580 | F525-S576 WeakPolarHBondContact CE1-OG 3.3Å; L572-S576 PolarHBondContact O-N 3.16Å; L572-S576 PolarHBondContact O-OG 3.44Å; F573-S576 WeakPolarHBondContact O-CB 3.3Å; F573-S576 PolarHBondContact O-N 2.83Å; E574-S576 VanDerWaalsContact C-N 3.28Å; E574-S576 PolarHBondContact O-N 2.84Å; S576-L578 VanDerWaalsContact C-N 3.33Å; S576-L578 PolarHBondContact O-N 2.76Å; S576-Y579 PolarHBondContact O-N 2.67Å; S576-Y580 VanDerWaalsContact O-CD2 3.29Å; S576-Y580 WeakPolarHBondContact O-CD2 3.37Å; S576-Y580 PolarHBondContact O-N 2.71Å |
| 577 | K | 90.9 | Very high | 91.1 | Very high | 46 Ų | 46 | 51.8 Ų | 51.8 | 20% | 0.2 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59 | -43.4 | 176.5 | -68.3 | 168.5 | -160.2 | 169 | 0 | 112 | F573 E574 Y579 G581 Y587 | F573-K577 VanDerWaalsContact O-CG 3.31Å; F573-K577 WeakPolarHBondContact O-CG 3.47Å; F573-K577 PolarHBondContact O-N 3.49Å; E574-K577 PolarHBondContact O-N 3.3Å; E574-K577 WeakPolarHBondContact OE1-CD 3.13Å; E574-K577 WeakPolarHBondContact OE1-CE 3.41Å; E574-K577 IonicContact OE1-NZ 2.78Å; E574-K577 PolarHBondContact OE1-NZ 3.47Å; K577-Y579 VanDerWaalsContact C-N 3.26Å; K577-Y579 PolarHBondContact O-N 2.77Å; K577-G581 PolarHBondContact O-N 3.38Å; K577-Y587 HydrophobicContact CB-CD2 4Å; K577-Y587 HydrophobicContact CB-CE2 3.74Å; K577-Y587 HydrophobicContact CG-CD2 4.1Å; K577-Y587 HydrophobicContact CG-CE2 3.87Å |
| 578 | L | 90.5 | Very high | 91.1 | Very high | 110 Ų | 110 | 53 Ų | 53 | 58% | 0.576 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -62.4 | -29.3 | 178.4 | 178.9 | 64.8 | 0 | 0 | 0 | 113.3 | I540 E574 S576 | I540-L578 HydrophobicContact CG2-CD1 4.48Å; I540-L578 HydrophobicContact CG2-CD2 4.09Å; I540-L578 HydrophobicContact CG2-CG 3.79Å; E574-L578 WeakPolarHBondContact O-CB 3.46Å; E574-L578 PolarHBondContact O-N 3.06Å; S576-L578 VanDerWaalsContact C-N 3.33Å; S576-L578 PolarHBondContact O-N 2.76Å |
| 579 | Y | 91.7 | Very high | 91 | Very high | 57 Ų | 57 | 51.1 Ų | 51.1 | 22% | 0.224 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -96.5 | -49.9 | -176.1 | -172.4 | -113.7 | 0 | 0 | 0 | 114 | D534 Y537 I540 N575 S576 K577 | D534-Y579 PolarHBondContact OD1-OH 2.95Å; D534-Y579 VanDerWaalsContact OD2-CE1 3.24Å; D534-Y579 WeakPolarHBondContact OD2-CE1 3.37Å; D534-Y579 VanDerWaalsContact OD2-CZ 3.22Å; D534-Y579 PolarHBondContact OD2-OH 2.81Å; Y537-Y579 AromaticContact CD2-CD1 3.58Å; Y537-Y579 HydrophobicContact CD2-CD1 3.58Å; Y537-Y579 HydrophobicContact CD2-CD2 4.12Å; Y537-Y579 AromaticContact CD2-CE1 3.97Å; Y537-Y579 HydrophobicContact CD2-CE1 3.97Å; Y537-Y579 AromaticContact CD2-CG 3.64Å; Y537-Y579 HydrophobicContact CD2-CG 3.64Å; Y537-Y579 HydrophobicContact CE2-CD1 4.32Å; Y537-Y579 HydrophobicContact CE2-CG 4.32Å; I540-Y579 HydrophobicContact CB-CD2 4.17Å; I540-Y579 HydrophobicContact CD1-CD2 3.88Å; I540-Y579 HydrophobicContact CD1-CE2 3.97Å; I540-Y579 HydrophobicContact CG2-CD2 4.3Å; N575-Y579 PolarHBondContact O-N 2.97Å; S576-Y579 PolarHBondContact O-N 2.67Å; K577-Y579 VanDerWaalsContact C-N 3.26Å; K577-Y579 PolarHBondContact O-N 2.77Å |
| 580 | Y | 87.9 | Confident | 90.9 | Very high | 65 Ų | 65 | 51.1 Ų | 51.1 | 26% | 0.255 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -81.7 | -23.3 | -170.6 | -61.9 | -64.8 | 0 | 0 | 0 | 113.8 | S576 S584 L586 | S576-Y580 VanDerWaalsContact O-CD2 3.29Å; S576-Y580 WeakPolarHBondContact O-CD2 3.37Å; S576-Y580 PolarHBondContact O-N 2.71Å; Y580-S584 VanDerWaalsContact CB-OG 3.3Å; Y580-S584 WeakPolarHBondContact CB-OG 3.18Å; Y580-S584 PolarHBondContact O-OG 3.19Å; Y580-S584 VanDerWaalsContact O-OG 3.07Å; Y580-L586 HydrophobicContact CD1-CB 4.05Å; Y580-L586 HydrophobicContact CD1-CD1 3.85Å; Y580-L586 HydrophobicContact CD2-CB 3.59Å; Y580-L586 HydrophobicContact CD2-CD1 4.44Å; Y580-L586 HydrophobicContact CE1-CB 4.32Å; Y580-L586 HydrophobicContact CE1-CD1 3.46Å; Y580-L586 VanDerWaalsContact CE1-CD1 3.46Å; Y580-L586 HydrophobicContact CE2-CB 3.9Å; Y580-L586 HydrophobicContact CE2-CD1 4.11Å; Y580-L586 HydrophobicContact CG-CB 3.69Å; Y580-L586 HydrophobicContact CG-CD1 4.34Å |
| 581 | G | 79.3 | Confident | 90.8 | Very high | 32 Ų | 32 | 49.9 Ų | 49.9 | 33% | 0.33 | 28% | 0.279 | S | S | . | . | trans | 74.4 | 152 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | K577 S584 Y587 | K577-G581 PolarHBondContact O-N 3.38Å; G581-S584 PolarHBondContact O-N 3.27Å; G581-S584 PolarHBondContact O-OG 2.91Å; G581-Y587 WeakPolarHBondContact O-CB 3.48Å; G581-Y587 WeakPolarHBondContact O-CD2 3.5Å | ||
| 582 | Q | 85.4 | Confident | 90.7 | Very high | 170 Ų | 170 | 50.5 Ų | 50.5 | 79% | 0.794 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 133.1 | -174.1 | -172.6 | 175.3 | 11.1 | 0 | 0 | 112 | Y587 | Q582-Y587 HydrophobicContact CB-CE1 4.13Å; Q582-Y587 HydrophobicContact CB-CE2 4.11Å; Q582-Y587 HydrophobicContact CG-CE1 3.94Å |
| 583 | G | 82.9 | Confident | 90.7 | Very high | 65 Ų | 65 | 50.3 Ų | 50.3 | 67% | 0.67 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86 | 16 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 584 | S | 90.9 | Very high | 90.8 | Very high | 34 Ų | 34 | 51.6 Ų | 51.6 | 24% | 0.238 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -103 | 143.3 | 166.3 | 65.7 | 0 | 0 | 0 | 0 | 110.2 | Y580 G581 L586 Y587 D588 | Y580-S584 VanDerWaalsContact CB-OG 3.3Å; Y580-S584 WeakPolarHBondContact CB-OG 3.18Å; Y580-S584 PolarHBondContact O-OG 3.19Å; Y580-S584 VanDerWaalsContact O-OG 3.07Å; G581-S584 PolarHBondContact O-N 3.27Å; G581-S584 PolarHBondContact O-OG 2.91Å; S584-L586 PolarHBondContact O-N 2.95Å; S584-Y587 WeakPolarHBondContact O-CA 3.46Å; S584-Y587 WeakPolarHBondContact O-CB 3.41Å; S584-Y587 PolarHBondContact O-N 3.42Å; S584-Y587 VanDerWaalsContact OG-CB 3.25Å; S584-Y587 WeakPolarHBondContact OG-CB 3.4Å; S584-Y587 PolarHBondContact OG-N 3.35Å; S584-D588 PolarHBondContact O-N 3.16Å |
| 585 | A | 89.4 | Confident | 90.8 | Very high | 65 Ų | 65 | 51 Ų | 51 | 54% | 0.537 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -56.6 | -29.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D589 | A585-D589 VanDerWaalsContact O-CB 3.23Å; A585-D589 WeakPolarHBondContact O-CB 3Å; A585-D589 PolarHBondContact O-N 3.21Å |
| 586 | L | 91.1 | Very high | 91 | Very high | 43 Ų | 43 | 51.1 Ų | 51.1 | 23% | 0.225 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -81.1 | -23.3 | 176.5 | -66.1 | 174.6 | 0 | 0 | 0 | 113.6 | N524 Y580 S584 A590 | N524-L586 HydrophobicContact CB-CD2 3.58Å; N524-L586 WeakPolarHBondContact ND2-CD2 3.5Å; Y580-L586 HydrophobicContact CD1-CB 4.05Å; Y580-L586 HydrophobicContact CD1-CD1 3.85Å; Y580-L586 HydrophobicContact CD2-CB 3.59Å; Y580-L586 HydrophobicContact CD2-CD1 4.44Å; Y580-L586 HydrophobicContact CE1-CB 4.32Å; Y580-L586 HydrophobicContact CE1-CD1 3.46Å; Y580-L586 VanDerWaalsContact CE1-CD1 3.46Å; Y580-L586 HydrophobicContact CE2-CB 3.9Å; Y580-L586 HydrophobicContact CE2-CD1 4.11Å; Y580-L586 HydrophobicContact CG-CB 3.69Å; Y580-L586 HydrophobicContact CG-CD1 4.34Å; S584-L586 PolarHBondContact O-N 2.95Å; L586-A590 WeakPolarHBondContact O-CB 3.1Å; L586-A590 PolarHBondContact O-N 3.35Å |
| 587 | Y | 93.7 | Very high | 91.2 | Very high | 50 Ų | 50 | 51.4 Ų | 51.4 | 20% | 0.196 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -71.4 | -44.4 | 166.1 | -179.9 | -77.1 | 0 | 0 | 0 | 110 | K577 G581 Q582 S584 A590 V591 | K577-Y587 HydrophobicContact CB-CD2 4Å; K577-Y587 HydrophobicContact CB-CE2 3.74Å; K577-Y587 HydrophobicContact CG-CD2 4.1Å; K577-Y587 HydrophobicContact CG-CE2 3.87Å; G581-Y587 WeakPolarHBondContact O-CB 3.48Å; G581-Y587 WeakPolarHBondContact O-CD2 3.5Å; Q582-Y587 HydrophobicContact CB-CE1 4.13Å; Q582-Y587 HydrophobicContact CB-CE2 4.11Å; Q582-Y587 HydrophobicContact CG-CE1 3.94Å; S584-Y587 WeakPolarHBondContact O-CA 3.46Å; S584-Y587 WeakPolarHBondContact O-CB 3.41Å; S584-Y587 PolarHBondContact O-N 3.42Å; S584-Y587 VanDerWaalsContact OG-CB 3.25Å; S584-Y587 WeakPolarHBondContact OG-CB 3.4Å; S584-Y587 PolarHBondContact OG-N 3.35Å; Y587-A590 PolarHBondContact O-N 3.22Å; Y587-V591 HydrophobicContact CD1-CG2 4.01Å; Y587-V591 HydrophobicContact CE1-CG2 3.73Å; Y587-V591 WeakPolarHBondContact O-CG2 3.35Å; Y587-V591 PolarHBondContact O-N 3.19Å |
| 588 | D | 91.9 | Very high | 91.3 | Very high | 80 Ų | 80 | 51.9 Ų | 51.9 | 43% | 0.428 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -69.7 | -44.4 | -177.8 | -57.3 | -31.6 | 0 | 0 | 0 | 111.4 | S584 A590 V591 E592 | S584-D588 PolarHBondContact O-N 3.16Å; D588-A590 VanDerWaalsContact C-N 3.25Å; D588-A590 PolarHBondContact O-N 2.86Å; D588-V591 PolarHBondContact O-N 2.74Å; D588-E592 PolarHBondContact O-N 3.47Å |
| 589 | D | 93.6 | Very high | 91.4 | Very high | 10 Ų | 10 | 52.8 Ų | 52.8 | 5% | 0.053 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56.9 | -38 | 170.3 | -74.7 | -9.8 | 0 | 0 | 0 | 111.3 | R519 L521 F525 A585 L593 | R519-D589 IonicContact CZ-OD1 3.68Å; R519-D589 IonicContact CZ-OD2 2.63Å; R519-D589 IonicContact NH1-OD1 2.74Å; R519-D589 PolarHBondContact NH1-OD1 3.02Å; R519-D589 IonicContact NH1-OD2 3.65Å; R519-D589 PolarHBondContact NH1-OD2 3.08Å; R519-D589 IonicContact NH2-OD1 2.96Å; R519-D589 PolarHBondContact NH2-OD1 3.49Å; R519-D589 IonicContact NH2-OD2 3.59Å; L521-D589 HydrophobicContact CB-CB 4.45Å; F525-D589 HydrophobicContact CE2-CB 4.07Å; F525-D589 HydrophobicContact CZ-CB 4.23Å; A585-D589 VanDerWaalsContact O-CB 3.23Å; A585-D589 WeakPolarHBondContact O-CB 3Å; A585-D589 PolarHBondContact O-N 3.21Å; D589-L593 WeakPolarHBondContact O-CB 3.36Å; D589-L593 VanDerWaalsContact O-CG 3.29Å; D589-L593 WeakPolarHBondContact O-CG 3.48Å; D589-L593 PolarHBondContact O-N 2.81Å |
| 590 | A | 94 | Very high | 91.6 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -74.6 | -30.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | F525 F573 L586 Y587 D588 S594 | F525-A590 HydrophobicContact CE1-CB 4.02Å; F525-A590 HydrophobicContact CZ-CB 3.83Å; F573-A590 HydrophobicContact CD1-CB 4.46Å; F573-A590 WeakPolarHBondContact CD1-O 3.47Å; L586-A590 WeakPolarHBondContact O-CB 3.1Å; L586-A590 PolarHBondContact O-N 3.35Å; Y587-A590 PolarHBondContact O-N 3.22Å; D588-A590 VanDerWaalsContact C-N 3.25Å; D588-A590 PolarHBondContact O-N 2.86Å; A590-S594 VanDerWaalsContact O-CB 3.29Å; A590-S594 WeakPolarHBondContact O-CB 3.49Å; A590-S594 PolarHBondContact O-N 3.41Å; A590-S594 VanDerWaalsContact O-N 3.15Å |
| 591 | V | 93.1 | Very high | 91.8 | Very high | 51 Ų | 51 | 48.6 Ų | 48.6 | 31% | 0.309 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -68.4 | -44.9 | 170.8 | 167.4 | 0 | 0 | 0 | 0 | 110 | Y587 D588 S594 N595 | Y587-V591 HydrophobicContact CD1-CG2 4.01Å; Y587-V591 HydrophobicContact CE1-CG2 3.73Å; Y587-V591 WeakPolarHBondContact O-CG2 3.35Å; Y587-V591 PolarHBondContact O-N 3.19Å; D588-V591 PolarHBondContact O-N 2.74Å; V591-S594 VanDerWaalsContact O-CB 3.3Å; V591-S594 WeakPolarHBondContact O-CB 3.38Å; V591-S594 PolarHBondContact O-N 3.02Å; V591-S594 VanDerWaalsContact O-N 3.15Å; V591-N595 PolarHBondContact O-N 2.8Å; V591-N595 VanDerWaalsContact O-N 3.08Å; V591-N595 PolarHBondContact O-ND2 3.15Å |
| 592 | E | 93.4 | Very high | 92.3 | Very high | 61 Ų | 61 | 54.1 Ų | 54.1 | 29% | 0.285 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.3 | -45.3 | -179.4 | -175.1 | 62.4 | 179.9 | 0 | 0 | 112.3 | Y513 L521 D588 S594 N595 V596 | Y513-E592 HydrophobicContact CE1-CG 3.8Å; Y513-E592 PolarHBondContact OH-OE1 2.84Å; L521-E592 HydrophobicContact CD1-CB 4.13Å; L521-E592 HydrophobicContact CD1-CG 3.9Å; D588-E592 PolarHBondContact O-N 3.47Å; E592-S594 PolarHBondContact O-N 3.37Å; E592-N595 WeakPolarHBondContact O-CB 3.28Å; E592-N595 PolarHBondContact O-N 2.81Å; E592-N595 PolarHBondContact OE2-ND2 2.71Å; E592-V596 WeakPolarHBondContact O-CG2 3.47Å; E592-V596 PolarHBondContact O-N 3.38Å |
| 593 | L | 95.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.6 | -28.3 | 172.7 | -70.5 | 174.2 | 0 | 0 | 0 | 113 | V510 Y513 L521 F525 F573 D589 F597 | V510-L593 HydrophobicContact CG1-CB 4.32Å; V510-L593 HydrophobicContact CG1-CD2 3.97Å; V510-L593 WeakPolarHBondContact O-CD2 3.38Å; Y513-L593 HydrophobicContact CD1-CD2 4.14Å; L521-L593 HydrophobicContact CB-CD1 4.11Å; L521-L593 HydrophobicContact CB-CD2 3.98Å; L521-L593 HydrophobicContact CB-CG 3.96Å; F525-L593 HydrophobicContact CD2-CD1 3.48Å; F525-L593 VanDerWaalsContact CD2-CD1 3.48Å; F525-L593 HydrophobicContact CE2-CD1 3.58Å; F525-L593 HydrophobicContact CG-CD1 4.47Å; F573-L593 HydrophobicContact CD1-CB 4.42Å; F573-L593 HydrophobicContact CE1-CB 3.51Å; F573-L593 HydrophobicContact CZ-CB 3.98Å; F573-L593 WeakPolarHBondContact CZ-O 3.37Å; D589-L593 WeakPolarHBondContact O-CB 3.36Å; D589-L593 VanDerWaalsContact O-CG 3.29Å; D589-L593 WeakPolarHBondContact O-CG 3.48Å; D589-L593 PolarHBondContact O-N 2.81Å; L593-F597 WeakPolarHBondContact O-CB 3.29Å; L593-F597 PolarHBondContact O-N 3.19Å |
| 594 | S | 95.1 | Very high | 92.9 | Very high | 27 Ų | 27 | 49.5 Ų | 49.5 | 19% | 0.189 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.7 | -33.6 | 172.8 | -170.6 | 0 | 0 | 0 | 0 | 112.1 | A590 V591 E592 A598 | A590-S594 VanDerWaalsContact O-CB 3.29Å; A590-S594 WeakPolarHBondContact O-CB 3.49Å; A590-S594 PolarHBondContact O-N 3.41Å; A590-S594 VanDerWaalsContact O-N 3.15Å; V591-S594 VanDerWaalsContact O-CB 3.3Å; V591-S594 WeakPolarHBondContact O-CB 3.38Å; V591-S594 PolarHBondContact O-N 3.02Å; V591-S594 VanDerWaalsContact O-N 3.15Å; E592-S594 PolarHBondContact O-N 3.37Å; S594-A598 PolarHBondContact O-N 2.57Å; S594-A598 VanDerWaalsContact O-N 3.17Å |
| 595 | N | 94.3 | Very high | 92.7 | Very high | 90 Ų | 90 | 48 Ų | 48 | 48% | 0.481 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -68.9 | -49.7 | 173.2 | -60.3 | -31.9 | 0 | 0 | 0 | 110.6 | V591 E592 F597 A598 E599 | V591-N595 PolarHBondContact O-N 2.8Å; V591-N595 VanDerWaalsContact O-N 3.08Å; V591-N595 PolarHBondContact O-ND2 3.15Å; E592-N595 WeakPolarHBondContact O-CB 3.28Å; E592-N595 PolarHBondContact O-N 2.81Å; E592-N595 PolarHBondContact OE2-ND2 2.71Å; N595-F597 VanDerWaalsContact C-N 3.29Å; N595-F597 PolarHBondContact O-N 2.94Å; N595-A598 WeakPolarHBondContact O-CB 3.23Å; N595-A598 PolarHBondContact O-N 3.49Å; N595-A598 VanDerWaalsContact O-N 3.08Å; N595-E599 PolarHBondContact O-N 2.95Å |
| 596 | V | 95.4 | Very high | 92 | Very high | 14 Ų | 14 | 48.8 Ų | 48.8 | 9% | 0.085 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.2 | -39.9 | 177.4 | 175.3 | 0 | 0 | 0 | 0 | 111.4 | S509 Y513 E592 E599 A600 | S509-V596 VanDerWaalsContact O-CG1 3.32Å; S509-V596 WeakPolarHBondContact O-CG1 3.34Å; Y513-V596 HydrophobicContact CD1-CG2 3.94Å; Y513-V596 HydrophobicContact CD2-CB 4.42Å; Y513-V596 HydrophobicContact CD2-CG1 3.92Å; Y513-V596 HydrophobicContact CD2-CG2 3.58Å; Y513-V596 HydrophobicContact CE1-CG2 3.82Å; Y513-V596 HydrophobicContact CE2-CG2 3.49Å; Y513-V596 VanDerWaalsContact CE2-CG2 3.49Å; Y513-V596 HydrophobicContact CG-CB 4.49Å; Y513-V596 HydrophobicContact CG-CG1 4.08Å; Y513-V596 HydrophobicContact CG-CG2 3.81Å; E592-V596 WeakPolarHBondContact O-CG2 3.47Å; E592-V596 PolarHBondContact O-N 3.38Å; V596-E599 PolarHBondContact O-N 3.39Å; V596-A600 VanDerWaalsContact O-CB 3.27Å; V596-A600 WeakPolarHBondContact O-CB 3.41Å; V596-A600 PolarHBondContact O-N 3.39Å |
| 597 | F | 96.1 | Very high | 90.9 | Very high | 9 Ų | 9 | 54.2 Ų | 54.2 | 4% | 0.039 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 174.2 | 174.6 | -110.2 | 0 | 0 | 0 | 112.3 | V506 V510 M565 A566 F569 F573 L593 N595 A600 M601 | V506-F597 HydrophobicContact CG1-CD2 3.79Å; V506-F597 HydrophobicContact CG1-CE2 3.55Å; V510-F597 HydrophobicContact CG2-CB 3.76Å; V510-F597 HydrophobicContact CG2-CD2 3.9Å; V510-F597 HydrophobicContact CG2-CG 4.33Å; M565-F597 HydrophobicContact CE-CE2 4.37Å; A566-F597 HydrophobicContact CB-CE1 4.04Å; A566-F597 HydrophobicContact CB-CZ 3.73Å; F569-F597 HydrophobicContact CB-CD1 4.02Å; F569-F597 HydrophobicContact CB-CD2 4.12Å; F569-F597 HydrophobicContact CB-CE1 3.74Å; F569-F597 HydrophobicContact CB-CE2 3.85Å; F569-F597 HydrophobicContact CB-CG 4.22Å; F569-F597 HydrophobicContact CB-CZ 3.68Å; F569-F597 AromaticContact CD1-CD2 3.82Å; F569-F597 HydrophobicContact CD1-CD2 3.82Å; F569-F597 HydrophobicContact CD1-CE2 4.11Å; F569-F597 HydrophobicContact CD1-CG 4.24Å; F569-F597 AromaticContact CD2-CD2 3.92Å; F569-F597 HydrophobicContact CD2-CD2 3.92Å; F569-F597 AromaticContact CD2-CE2 3.36Å; F569-F597 HydrophobicContact CD2-CE2 3.36Å; F569-F597 AromaticContact CD2-CZ 3.85Å; F569-F597 HydrophobicContact CD2-CZ 3.85Å; F569-F597 HydrophobicContact CE1-CD2 4.14Å; F569-F597 HydrophobicContact CE2-CD2 4.23Å; F569-F597 AromaticContact CE2-CE2 3.82Å; F569-F597 HydrophobicContact CE2-CE2 3.82Å; F569-F597 HydrophobicContact CG-CD1 4.49Å; F569-F597 AromaticContact CG-CD2 3.7Å; F569-F597 HydrophobicContact CG-CD2 3.7Å; F569-F597 HydrophobicContact CG-CE1 4.34Å; F569-F597 AromaticContact CG-CE2 3.52Å; F569-F597 HydrophobicContact CG-CE2 3.52Å; F569-F597 HydrophobicContact CG-CG 4.21Å; F569-F597 AromaticContact CG-CZ 3.89Å; F569-F597 HydrophobicContact CG-CZ 3.89Å; F569-F597 HydrophobicContact CZ-CD2 4.33Å; F569-F597 HydrophobicContact CZ-CE2 4.37Å; F573-F597 HydrophobicContact CE2-CB 3.75Å; F573-F597 HydrophobicContact CE2-CD1 4Å; F573-F597 AromaticContact CE2-CG 3.95Å; F573-F597 HydrophobicContact CE2-CG 3.95Å; F573-F597 HydrophobicContact CZ-CB 4.03Å; L593-F597 WeakPolarHBondContact O-CB 3.29Å; L593-F597 PolarHBondContact O-N 3.19Å; N595-F597 VanDerWaalsContact C-N 3.29Å; N595-F597 PolarHBondContact O-N 2.94Å; F597-A600 PolarHBondContact O-N 2.89Å; F597-M601 HydrophobicContact CD1-CG 4.49Å; F597-M601 HydrophobicContact CD2-CG 4.13Å; F597-M601 HydrophobicContact CE1-CG 3.91Å; F597-M601 HydrophobicContact CE2-CG 3.49Å; F597-M601 VanDerWaalsContact CE2-CG 3.49Å; F597-M601 HydrophobicContact CE2-SD 4.09Å; F597-M601 HydrophobicContact CZ-CG 3.32Å; F597-M601 HydrophobicContact CZ-SD 3.93Å; F597-M601 WeakPolarHBondContact O-CB 3.08Å; F597-M601 WeakPolarHBondContact O-CG 2.95Å; F597-M601 PolarHBondContact O-N 3.4Å |
| 598 | A | 92.6 | Very high | 89.5 | Confident | 57 Ų | 57 | 54.7 Ų | 54.7 | 47% | 0.471 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.7 | -44.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S594 N595 M601 Q602 | S594-A598 PolarHBondContact O-N 2.57Å; S594-A598 VanDerWaalsContact O-N 3.17Å; N595-A598 WeakPolarHBondContact O-CB 3.23Å; N595-A598 PolarHBondContact O-N 3.49Å; N595-A598 VanDerWaalsContact O-N 3.08Å; A598-M601 PolarHBondContact O-N 2.95Å; A598-Q602 WeakPolarHBondContact O-CB 3.07Å; A598-Q602 PolarHBondContact O-N 2.91Å |
| 599 | E | 93 | Very high | 88.5 | Confident | 128 Ų | 128 | 52.5 Ų | 52.5 | 60% | 0.598 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -63.3 | -44 | 175.5 | -173.4 | -178.7 | -176.1 | 0 | 0 | 111.9 | N595 V596 M601 Q602 T603 | N595-E599 PolarHBondContact O-N 2.95Å; V596-E599 PolarHBondContact O-N 3.39Å; E599-M601 PolarHBondContact O-N 3.44Å; E599-Q602 PolarHBondContact O-N 3.39Å; E599-T603 VanDerWaalsContact O-CB 3.31Å; E599-T603 WeakPolarHBondContact O-CB 3.12Å; E599-T603 PolarHBondContact O-N 3Å; E599-T603 PolarHBondContact O-OG1 3.24Å |
| 600 | A | 94.1 | Very high | 87.6 | Confident | 5 Ų | 5 | 54 Ų | 54 | 4% | 0.041 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.9 | -39.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V506 V596 F597 T603 F604 | V506-A600 HydrophobicContact CG1-CB 4.13Å; V596-A600 VanDerWaalsContact O-CB 3.27Å; V596-A600 WeakPolarHBondContact O-CB 3.41Å; V596-A600 PolarHBondContact O-N 3.39Å; F597-A600 PolarHBondContact O-N 2.89Å; A600-T603 PolarHBondContact O-N 3.49Å; A600-F604 HydrophobicContact CB-CD2 4.39Å; A600-F604 HydrophobicContact CB-CE2 4.48Å; A600-F604 VanDerWaalsContact O-CD2 3.24Å; A600-F604 WeakPolarHBondContact O-CD2 3.06Å; A600-F604 PolarHBondContact O-N 3.34Å |
| 601 | M | 93.2 | Very high | 87 | Confident | 30 Ų | 30 | 57.6 Ų | 57.6 | 15% | 0.148 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 172.8 | -83 | -69.6 | -68.1 | 0 | 0 | 112.1 | V506 M565 A566 F597 A598 E599 T603 C605 | V506-M601 HydrophobicContact CG1-CG 3.99Å; V506-M601 HydrophobicContact CG1-SD 4.05Å; V506-M601 HydrophobicContact CG2-SD 4.25Å; M565-M601 HydrophobicContact CE-SD 4Å; A566-M601 HydrophobicContact CB-CE 4.04Å; F597-M601 HydrophobicContact CD1-CG 4.49Å; F597-M601 HydrophobicContact CD2-CG 4.13Å; F597-M601 HydrophobicContact CE1-CG 3.91Å; F597-M601 HydrophobicContact CE2-CG 3.49Å; F597-M601 VanDerWaalsContact CE2-CG 3.49Å; F597-M601 HydrophobicContact CE2-SD 4.09Å; F597-M601 HydrophobicContact CZ-CG 3.32Å; F597-M601 HydrophobicContact CZ-SD 3.93Å; F597-M601 WeakPolarHBondContact O-CB 3.08Å; F597-M601 WeakPolarHBondContact O-CG 2.95Å; F597-M601 PolarHBondContact O-N 3.4Å; A598-M601 PolarHBondContact O-N 2.95Å; E599-M601 PolarHBondContact O-N 3.44Å; M601-T603 VanDerWaalsContact C-N 3.3Å; M601-T603 PolarHBondContact O-N 3.42Å; M601-C605 HydrophobicContact CE-CB 4.31Å; M601-C605 CarbonylContact O-C 3.55Å; M601-C605 VanDerWaalsContact O-CA 3.22Å; M601-C605 WeakPolarHBondContact O-CA 3Å; M601-C605 WeakPolarHBondContact O-CB 3.16Å; M601-C605 PolarHBondContact O-N 2.75Å; M601-C605 HydrophobicContact SD-CB 4.14Å |
| 602 | Q | 89.2 | Confident | 86.1 | Confident | 147 Ų | 147 | 56.7 Ų | 56.7 | 69% | 0.687 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -63.7 | -36.1 | 175.4 | -169.7 | 173.3 | 9.5 | 0 | 0 | 111.8 | A598 E599 P606 | A598-Q602 WeakPolarHBondContact O-CB 3.07Å; A598-Q602 PolarHBondContact O-N 2.91Å; E599-Q602 PolarHBondContact O-N 3.39Å; Q602-P606 WeakPolarHBondContact O-CB 3.19Å; Q602-P606 WeakPolarHBondContact O-CD 3.32Å |
| 603 | T | 90.7 | Very high | 84.6 | Confident | 85 Ų | 85 | 62.9 Ų | 62.9 | 52% | 0.521 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -74.6 | -49.1 | -178.5 | -61 | 0 | 0 | 0 | 0 | 112.9 | E599 A600 M601 | E599-T603 VanDerWaalsContact O-CB 3.31Å; E599-T603 WeakPolarHBondContact O-CB 3.12Å; E599-T603 PolarHBondContact O-N 3Å; E599-T603 PolarHBondContact O-OG1 3.24Å; A600-T603 PolarHBondContact O-N 3.49Å; M601-T603 VanDerWaalsContact C-N 3.3Å; M601-T603 PolarHBondContact O-N 3.42Å |
| 604 | F | 90.6 | Very high | 82.2 | Confident | 53 Ų | 53 | 67.7 Ų | 67.7 | 23% | 0.232 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -99.5 | -23.7 | -172.6 | -57.2 | -62.4 | 0 | 0 | 0 | 114.2 | R502 R505 V506 S509 A600 P606 | R502-F604 PolarHBondContact NH1-O 3.25Å; R505-F604 HydrophobicContact CB-CD1 4.12Å; R505-F604 HydrophobicContact CB-CD2 3.97Å; R505-F604 HydrophobicContact CB-CE1 4.26Å; R505-F604 HydrophobicContact CB-CE2 4.12Å; R505-F604 HydrophobicContact CB-CG 3.98Å; R505-F604 HydrophobicContact CB-CZ 4.27Å; V506-F604 HydrophobicContact CG2-CB 3.86Å; V506-F604 HydrophobicContact CG2-CD2 4.02Å; V506-F604 HydrophobicContact CG2-CG 4.41Å; S509-F604 WeakPolarHBondContact OG-CE2 3.31Å; A600-F604 HydrophobicContact CB-CD2 4.39Å; A600-F604 HydrophobicContact CB-CE2 4.48Å; A600-F604 VanDerWaalsContact O-CD2 3.24Å; A600-F604 WeakPolarHBondContact O-CD2 3.06Å; A600-F604 PolarHBondContact O-N 3.34Å; F604-P606 VanDerWaalsContact C-CD 3.5Å |
| 605 | C | 85.8 | Confident | 79.6 | Confident | 3 Ų | 3 | 73.4 Ų | 73.4 | 2% | 0.02 | 40% | 0.399 | C | S | . | . | trans | -132.9 | 39.2 | -173.9 | -66.8 | 0 | 0 | 0 | 0 | 115.4 | M601 N607 S608 T609 | M601-C605 HydrophobicContact CE-CB 4.31Å; M601-C605 CarbonylContact O-C 3.55Å; M601-C605 VanDerWaalsContact O-CA 3.22Å; M601-C605 WeakPolarHBondContact O-CA 3Å; M601-C605 WeakPolarHBondContact O-CB 3.16Å; M601-C605 PolarHBondContact O-N 2.75Å; M601-C605 HydrophobicContact SD-CB 4.14Å; C605-N607 VanDerWaalsContact C-N 3.27Å; C605-N607 PolarHBondContact O-N 3.21Å; C605-S608 PolarHBondContact O-N 3.32Å; C605-S608 VanDerWaalsContact O-N 3.12Å; C605-T609 VanDerWaalsContact CA-OG1 3.3Å; C605-T609 WeakPolarHBondContact CA-OG1 3.45Å; C605-T609 WeakPolarHBondContact CB-OG1 3.2Å; C605-T609 PolarHBondContact SG-OG1 3.2Å; C605-T609 VanDerWaalsContact SG-OG1 3.35Å | ||
| 606 | P | 74.9 | Confident | 76.8 | Confident | 82 Ų | 82 | 74.4 Ų | 74.4 | 53% | 0.532 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -33.8 | -166 | 16.5 | -30.6 | 0 | 0 | 0 | 115.8 | Q602 F604 | Q602-P606 WeakPolarHBondContact O-CB 3.19Å; Q602-P606 WeakPolarHBondContact O-CD 3.32Å; F604-P606 VanDerWaalsContact C-CD 3.5Å |
| 607 | N | 68.2 | Low | 73.8 | Confident | 156 Ų | 156 | 77.3 Ų | 77.3 | 83% | 0.834 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | 30.8 | -174.4 | -63.8 | -10.1 | 0 | 0 | 0 | 112.7 | C605 | C605-N607 VanDerWaalsContact C-N 3.27Å; C605-N607 PolarHBondContact O-N 3.21Å |
| 608 | S | 64.4 | Low | 70.7 | Confident | 61 Ų | 61 | 88.3 Ų | 88.3 | 43% | 0.427 | 47% | 0.472 | S | S | . | . | trans | 50.2 | 69 | -172.3 | 174.4 | 0 | 0 | 0 | 0 | 112.4 | S562 C605 G610 | S562-S608 WeakPolarHBondContact OG-CA 3.43Å; C605-S608 PolarHBondContact O-N 3.32Å; C605-S608 VanDerWaalsContact O-N 3.12Å; S608-G610 PolarHBondContact O-N 3.35Å | ||
| 609 | T | 70.3 | Confident | 67.9 | Low | 33 Ų | 33 | 88.3 Ų | 88.3 | 20% | 0.202 | 47% | 0.469 | C | S | . | . | trans | -47.7 | 109.6 | -178.6 | -33.7 | 0 | 0 | 0 | 0 | 111.4 | Y499 S561 S562 C605 | Y499-T609 HydrophobicContact CD2-CG2 3.94Å; Y499-T609 HydrophobicContact CE2-CG2 4.44Å; Y499-T609 WeakPolarHBondContact CE2-O 3.25Å; S561-T609 WeakPolarHBondContact CA-O 3.45Å; S562-T609 PolarHBondContact N-O 3.43Å; S562-T609 PolarHBondContact OG-N 3.36Å; S562-T609 VanDerWaalsContact OG-N 3.1Å; C605-T609 VanDerWaalsContact CA-OG1 3.3Å; C605-T609 WeakPolarHBondContact CA-OG1 3.45Å; C605-T609 WeakPolarHBondContact CB-OG1 3.2Å; C605-T609 PolarHBondContact SG-OG1 3.2Å; C605-T609 VanDerWaalsContact SG-OG1 3.35Å | ||
| 610 | G | 75.5 | Confident | 65.2 | Low | 42 Ų | 42 | 88.4 Ų | 88.4 | 43% | 0.433 | 46% | 0.464 | S | S | . | . | B | Isolated β-bridge | trans | -79 | 149.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | S608 P612 | S608-G610 PolarHBondContact O-N 3.35Å; G610-P612 WeakPolarHBondContact O-CD 3.41Å |
| 611 | R | 81.8 | Confident | 62.3 | Low | 76 Ų | 76 | 98 Ų | 98 | 29% | 0.287 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -53.7 | 125 | 169.3 | -178.3 | -178.5 | -171.4 | 160.3 | 14 | 109.5 | F496 Y499 D557 D560 K613 | F496-R611 HydrophobicContact CD2-CG 4.21Å; F496-R611 HydrophobicContact CE2-CG 3.94Å; Y499-R611 HydrophobicContact CD1-CB 4.39Å; Y499-R611 HydrophobicContact CD1-CG 4.36Å; Y499-R611 HydrophobicContact CE1-CB 3.81Å; Y499-R611 HydrophobicContact CE1-CG 4.03Å; D557-R611 PolarHBondContact O-NH1 3.08Å; D560-R611 WeakPolarHBondContact O-CB 3.43Å; D560-R611 PolarHBondContact O-N 3.02Å; D560-R611 WeakPolarHBondContact OD1-CD 3.31Å; D560-R611 IonicContact OD1-CZ 2.73Å; D560-R611 IonicContact OD1-NE 3.87Å; D560-R611 IonicContact OD1-NH1 2.87Å; D560-R611 PolarHBondContact OD1-NH1 3.37Å; R611-K613 PolarHBondContact O-N 3.48Å |
| 612 | P | 74.1 | Confident | 59.4 | Low | 32 Ų | 32 | 101.8 Ų | 101.8 | 21% | 0.208 | 53% | 0.528 | C | S | . | . | P | Polyproline II helix | trans | -53.6 | 140.1 | 176.6 | -29.8 | 36.8 | 0 | 0 | 0 | 111.3 | Y492 A495 Y499 G610 | Y492-P612 HydrophobicContact CD2-CB 4.5Å; Y492-P612 HydrophobicContact CE2-CB 4.3Å; Y492-P612 WeakPolarHBondContact CE2-O 3.37Å; A495-P612 HydrophobicContact CB-CB 4.11Å; A495-P612 HydrophobicContact CB-CG 4.08Å; A495-P612 WeakPolarHBondContact O-CG 3.34Å; Y499-P612 HydrophobicContact CG-CG 4.43Å; G610-P612 WeakPolarHBondContact O-CD 3.41Å |
| 613 | K | 60.7 | Low | 56.6 | Low | 190 Ų | 190 | 100 Ų | 100 | 83% | 0.826 | 53% | 0.532 | S | S | * | . | trans | -107.1 | 132.3 | -179.4 | -64.2 | 176.7 | -177.5 | 174.4 | 0 | 108.7 | R611 L615 | R611-K613 PolarHBondContact O-N 3.48Å; K613-L615 PolarHBondContact O-N 2.72Å | ||
| 614 | L | 46.9 | Very low | 53.8 | Low | 102 Ų | 102 | 103 Ų | 103 | 53% | 0.534 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 124.6 | 166.7 | -95.5 | 157.6 | 0 | 0 | 0 | 108.1 | Y492 P616 | Y492-L614 HydrophobicContact CD1-CD1 4.19Å; Y492-L614 HydrophobicContact CD1-CD2 3.91Å; Y492-L614 HydrophobicContact CD1-CG 3.75Å; Y492-L614 HydrophobicContact CD2-CB 4.29Å; Y492-L614 HydrophobicContact CD2-CD2 4.18Å; Y492-L614 HydrophobicContact CD2-CG 3.7Å; Y492-L614 HydrophobicContact CE1-CD1 3.94Å; Y492-L614 HydrophobicContact CE1-CD2 4.48Å; Y492-L614 HydrophobicContact CE1-CG 3.85Å; Y492-L614 HydrophobicContact CE2-CB 4.28Å; Y492-L614 HydrophobicContact CE2-CD1 4.49Å; Y492-L614 HydrophobicContact CE2-CG 3.77Å; Y492-L614 HydrophobicContact CG-CD2 3.74Å; Y492-L614 HydrophobicContact CG-CG 3.67Å; L614-P616 WeakPolarHBondContact O-CD 3.46Å |
| 615 | L | 40.5 | Very low | 50.8 | Low | 147 Ų | 147 | 108.6 Ų | 108.6 | 77% | 0.77 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 122.5 | 167.4 | -78.6 | 169.7 | 0 | 0 | 0 | 107.7 | K613 S617 | K613-L615 PolarHBondContact O-N 2.72Å; L615-S617 PolarHBondContact O-N 2.91Å |
| 616 | P | 33.9 | Very low | 48 | Very low | 111 Ų | 111 | 118.7 Ų | 118.7 | 72% | 0.721 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 125.1 | -170.7 | -28.2 | 35.5 | 0 | 0 | 0 | 111.9 | L614 R618 | L614-P616 WeakPolarHBondContact O-CD 3.46Å; P616-R618 PolarHBondContact O-N 2.65Å |
| 617 | S | 32.6 | Very low | 45.7 | Very low | 74 Ų | 74 | 126.3 Ų | 126.3 | 52% | 0.517 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -56.1 | 133.6 | 158.1 | -172.9 | 0 | 0 | 0 | 0 | 107.2 | R485 L615 S619 | R485-S617 PolarHBondContact NH2-OG 3.41Å; L615-S617 PolarHBondContact O-N 2.91Å; S617-S619 PolarHBondContact O-N 3.27Å |
| 618 | R | 32.3 | Very low | 43.9 | Very low | 240 Ų | 240 | 124.3 Ų | 124.3 | 91% | 0.906 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -51.5 | 134.5 | -172.9 | -70.8 | 176 | 167.8 | 177 | -5.2 | 110.3 | P616 | P616-R618 PolarHBondContact O-N 2.65Š|
| 619 | S | 32.8 | Very low | 42.1 | Very low | 58 Ų | 58 | 129.2 Ų | 129.2 | 41% | 0.406 | 64% | 0.639 | S | S | . | * | S | Bend | trans | 78.2 | 108.8 | -175.6 | -140.7 | 0 | 0 | 0 | 0 | 114 | S617 | S617-S619 PolarHBondContact O-N 3.27Š|
| 620 | R | 37 | Very low | 40.1 | Very low | 130 Ų | 130 | 131.9 Ų | 131.9 | 49% | 0.491 | 66% | 0.659 | S | S | . | * | S | Bend | cis | -142.2 | 124 | -2 | -53.4 | 85.1 | 117.8 | 49.9 | -165.6 | 113 | P1273 | R620-P1273 PolarHBondContact NH1-O 3.21Å; R620-P1273 VanDerWaalsContact NH2-CD 3.28Å; R620-P1273 VanDerWaalsContact NH2-N 3.17Å; R620-P1273 PolarHBondContact NH2-O 2.83Å |
| 621 | R | 33.1 | Very low | 38 | Very low | 207 Ų | 207 | 134.4 Ų | 134.4 | 78% | 0.781 | 68% | 0.676 | S | S | * | * | -129.8 | 139.8 | 124.1 | -89.2 | -168 | 171.3 | -137.9 | -12.5 | 105.8 | D719 | R621-D719 IonicContact CZ-OD2 2.71Å; R621-D719 IonicContact NH1-OD1 3.05Å; R621-D719 IonicContact NH1-OD2 3.79Å; R621-D719 IonicContact NH2-OD2 3.97Å; R621-D719 PolarHBondContact NH2-OD2 3.37Å | |||
| 622 | S | 31.9 | Very low | 35.4 | Very low | 109 Ų | 109 | 140.9 Ų | 140.9 | 76% | 0.762 | 71% | 0.706 | S | S | * | * | trans | -107.8 | 179.3 | -178.5 | -157.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 623 | S | 29.5 | Very low | 33.3 | Very low | 110 Ų | 110 | 144.7 Ų | 144.7 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | S | Bend | trans | 73.3 | 48.4 | 171.2 | -159.2 | 0 | 0 | 0 | 0 | 118 | ||
| 624 | K | 32.2 | Very low | 32 | Very low | 148 Ų | 148 | 147.8 Ų | 147.8 | 64% | 0.643 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -165.5 | 150.2 | 133.1 | -107.6 | 157.8 | -175.5 | 166.1 | 0 | 109.5 | T654 | K624-T654 PolarHBondContact NZ-OG1 3.16Š|
| 625 | L | 27.7 | Very low | 31.2 | Very low | 170 Ų | 170 | 150 Ų | 150 | 89% | 0.89 | 75% | 0.748 | S | S | * | * | trans | 61.3 | 84 | -177.5 | -57.9 | 167.2 | 0 | 0 | 0 | 115.8 | ||||
| 626 | Y | 28 | Very low | 30.7 | Very low | 214 Ų | 214 | 151.5 Ų | 151.5 | 84% | 0.839 | 75% | 0.748 | S | S | * | * | trans | -160.5 | 83.6 | 136.7 | -131.9 | -95.8 | 0 | 0 | 0 | 110 | ||||
| 627 | Y | 26.7 | Very low | 30.7 | Very low | 242 Ų | 242 | 151 Ų | 151 | 95% | 0.949 | 75% | 0.753 | S | S | * | * | trans | -150.6 | 56.2 | 174.9 | -134.2 | -63.2 | 0 | 0 | 0 | 109.8 | ||||
| 628 | D | 29.4 | Very low | 30.5 | Very low | 114 Ų | 114 | 157.3 Ų | 157.3 | 61% | 0.61 | 77% | 0.774 | S | S | * | * | trans | -148.2 | 122.6 | 161.6 | -154.6 | -35.7 | 0 | 0 | 0 | 109.1 | S630 | D628-S630 WeakPolarHBondContact OD1-CB 3.38Å; D628-S630 PolarHBondContact OD1-N 2.65Å; D628-S630 PolarHBondContact OD1-OG 2.81Å | ||
| 629 | N | 26.9 | Very low | 30.4 | Very low | 165 Ų | 165 | 149.4 Ų | 149.4 | 88% | 0.882 | 77% | 0.768 | S | S | * | * | trans | -113.9 | 63 | 176 | -87.1 | -17.3 | 0 | 0 | 0 | 108.2 | ||||
| 630 | S | 28.9 | Very low | 30.4 | Very low | 89 Ų | 89 | 151.7 Ų | 151.7 | 62% | 0.622 | 79% | 0.79 | S | S | * | * | trans | -146.9 | 163.6 | 176.4 | 70.6 | 0 | 0 | 0 | 0 | 112.2 | D628 | D628-S630 WeakPolarHBondContact OD1-CB 3.38Å; D628-S630 PolarHBondContact OD1-N 2.65Å; D628-S630 PolarHBondContact OD1-OG 2.81Å | ||
| 631 | A | 30.4 | Very low | 30.1 | Very low | 94 Ų | 94 | 152.4 Ų | 152.4 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | trans | 72.6 | 74 | 178.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 632 | F | 27.2 | Very low | 30.4 | Very low | 212 Ų | 212 | 147.4 Ų | 147.4 | 93% | 0.93 | 80% | 0.801 | S | S | * | * | -95.7 | 154.8 | 123.4 | -108.9 | -95.6 | 0 | 0 | 0 | 108.4 | |||||
| 633 | S | 30.6 | Very low | 30.7 | Very low | 112 Ų | 112 | 147.8 Ų | 147.8 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | trans | 68.7 | 89.5 | 177.9 | -57.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 634 | R | 33.3 | Very low | 31.1 | Very low | 255 Ų | 255 | 152.8 Ų | 152.8 | 96% | 0.962 | 81% | 0.805 | S | S | * | * | -175.7 | 163.8 | 106.7 | -102 | 176 | 171 | 168.5 | -2.2 | 113.6 | |||||
| 635 | E | 30.1 | Very low | 31.3 | Very low | 150 Ų | 150 | 157.1 Ų | 157.1 | 70% | 0.701 | 82% | 0.818 | S | S | * | * | trans | -95.2 | 162.2 | -175.7 | -64.9 | -170.4 | 84.7 | 0 | 0 | 114.4 | ||||
| 636 | K | 30.4 | Very low | 31.9 | Very low | 178 Ų | 178 | 157.3 Ų | 157.3 | 77% | 0.774 | 82% | 0.816 | S | S | * | * | trans | 46.4 | 104.7 | 144.6 | -67.1 | 158.7 | -178.6 | 150.6 | 0 | 119.1 | ||||
| 637 | A | 33.9 | Very low | 32.4 | Very low | 100 Ų | 100 | 150.6 Ų | 150.6 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | trans | -151.9 | 159.8 | 137.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 638 | H | 28.8 | Very low | 33 | Very low | 206 Ų | 206 | 145.7 Ų | 145.7 | 95% | 0.954 | 80% | 0.795 | S | S | * | * | trans | -105.6 | 152.3 | 172 | -68.7 | -31.4 | 0 | 0 | 0 | 110.7 | ||||
| 639 | G | 30.7 | Very low | 33.5 | Very low | 75 Ų | 75 | 146.1 Ų | 146.1 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | 153.4 | 146.8 | 161.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 640 | A | 32 | Very low | 34.1 | Very low | 106 Ų | 106 | 146.8 Ų | 146.8 | 88% | 0.876 | 79% | 0.792 | S | S | * | * | trans | 50.8 | 101.2 | 157.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 641 | D | 30.9 | Very low | 34.5 | Very low | 144 Ų | 144 | 144 Ų | 144 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | trans | -73.3 | 146.1 | 151.6 | -173.6 | 15.5 | 0 | 0 | 0 | 110.6 | ||||
| 642 | S | 39.3 | Very low | 35 | Very low | 103 Ų | 103 | 142.1 Ų | 142.1 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | trans | 171.8 | -45 | 162.6 | -83.7 | 0 | 0 | 0 | 0 | 113.7 | R644 | S642-R644 PolarHBondContact O-N 3.1Å; S642-R644 VanDerWaalsContact O-N 3.1Å | ||
| 643 | S | 38.9 | Very low | 36 | Very low | 117 Ų | 117 | 136.2 Ų | 136.2 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -83.8 | 14.4 | -153.8 | -51.4 | 0 | 0 | 0 | 0 | 117.6 | R645 | S643-R645 PolarHBondContact O-N 2.77Š|
| 644 | R | 36.5 | Very low | 37.1 | Very low | 214 Ų | 214 | 134.5 Ų | 134.5 | 81% | 0.808 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -80.3 | -8.3 | -171.2 | -74.1 | -170.8 | 178.3 | -175.6 | 2.2 | 116.5 | S642 M646 | S642-R644 PolarHBondContact O-N 3.1Å; S642-R644 VanDerWaalsContact O-N 3.1Å; R644-M646 PolarHBondContact O-N 2.89Å |
| 645 | R | 37 | Very low | 38.4 | Very low | 240 Ų | 240 | 125.5 Ų | 125.5 | 91% | 0.906 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -82.4 | 2 | -170.9 | -65.8 | -169.3 | 179.9 | -164.5 | 1.1 | 116.8 | S643 | S643-R645 PolarHBondContact O-N 2.77Š|
| 646 | M | 39.6 | Very low | 40 | Very low | 174 Ų | 174 | 125.1 Ų | 125.1 | 86% | 0.857 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -107.6 | -7.6 | -177.9 | -71.7 | -66.1 | -172.6 | 0 | 0 | 115.2 | R644 | R644-M646 PolarHBondContact O-N 2.89Š|
| 647 | A | 38.3 | Very low | 42.1 | Very low | 72 Ų | 72 | 123.5 Ų | 123.5 | 60% | 0.595 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -80.4 | -35.1 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | N649 | A647-N649 VanDerWaalsContact C-N 3.25Å; A647-N649 PolarHBondContact O-N 2.87Å |
| 648 | D | 38.9 | Very low | 44.2 | Very low | 139 Ų | 139 | 122.5 Ų | 122.5 | 74% | 0.743 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -22.7 | -170.1 | -71.1 | -53.6 | 0 | 0 | 0 | 114.2 | K650 G651 | D648-K650 VanDerWaalsContact C-N 3.28Å; D648-K650 PolarHBondContact O-N 2.69Å; D648-G651 WeakPolarHBondContact O-CA 3.5Å; D648-G651 PolarHBondContact O-N 2.87Å |
| 649 | N | 41.3 | Very low | 46.7 | Very low | 124 Ų | 124 | 115.1 Ų | 115.1 | 66% | 0.663 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -65.7 | -29 | -174 | -149.2 | 4 | 0 | 0 | 0 | 112.9 | A647 G651 A652 | A647-N649 VanDerWaalsContact C-N 3.25Å; A647-N649 PolarHBondContact O-N 2.87Å; N649-G651 PolarHBondContact O-N 2.53Å; N649-A652 PolarHBondContact O-N 2.93Å |
| 650 | K | 39.2 | Very low | 49.3 | Very low | 178 Ų | 178 | 116.9 Ų | 116.9 | 77% | 0.774 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -67.5 | -21.2 | 171.6 | -76.7 | -172.3 | 176.1 | -178.9 | 0 | 113 | D648 | D648-K650 VanDerWaalsContact C-N 3.28Å; D648-K650 PolarHBondContact O-N 2.69Å |
| 651 | G | 38 | Very low | 51.9 | Low | 31 Ų | 31 | 114.3 Ų | 114.3 | 32% | 0.32 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -66.2 | -46.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | D648 N649 T654 | D648-G651 WeakPolarHBondContact O-CA 3.5Å; D648-G651 PolarHBondContact O-N 2.87Å; N649-G651 PolarHBondContact O-N 2.53Å; G651-T654 PolarHBondContact O-OG1 3.36Å |
| 652 | A | 39.5 | Very low | 54.8 | Low | 55 Ų | 55 | 107.7 Ų | 107.7 | 46% | 0.455 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67 | -43.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | N649 T654 S655 K656 | N649-A652 PolarHBondContact O-N 2.93Å; A652-T654 VanDerWaalsContact C-N 3.25Å; A652-T654 PolarHBondContact O-N 3.41Å; A652-S655 PolarHBondContact O-N 2.66Å; A652-K656 PolarHBondContact O-N 2.67Å |
| 653 | V | 48.1 | Very low | 57.3 | Low | 88 Ų | 88 | 106.3 Ų | 106.3 | 53% | 0.533 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -58.3 | -38 | -179.5 | -179.5 | 0 | 0 | 0 | 0 | 111.7 | S655 K657 | V653-S655 VanDerWaalsContact C-N 3.28Å; V653-S655 PolarHBondContact O-N 3.34Å; V653-K657 PolarHBondContact O-N 2.78Å |
| 654 | T | 54.9 | Low | 59.8 | Low | 76 Ų | 76 | 104.4 Ų | 104.4 | 47% | 0.466 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.3 | -20.2 | 177.3 | 58.8 | 0 | 0 | 0 | 0 | 114.5 | K624 G651 A652 | K624-T654 PolarHBondContact NZ-OG1 3.16Å; G651-T654 PolarHBondContact O-OG1 3.36Å; A652-T654 VanDerWaalsContact C-N 3.25Å; A652-T654 PolarHBondContact O-N 3.41Å |
| 655 | S | 59.2 | Low | 62.5 | Low | 65 Ų | 65 | 94.2 Ų | 94.2 | 46% | 0.455 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -81.4 | -50.2 | 175.7 | -159.4 | 0 | 0 | 0 | 0 | 110.8 | A652 V653 K657 M658 D659 | A652-S655 PolarHBondContact O-N 2.66Å; V653-S655 VanDerWaalsContact C-N 3.28Å; V653-S655 PolarHBondContact O-N 3.34Å; S655-K657 VanDerWaalsContact C-N 3.32Å; S655-K657 PolarHBondContact O-N 3.35Å; S655-M658 WeakPolarHBondContact O-CA 3.35Å; S655-M658 WeakPolarHBondContact O-CB 3.36Å; S655-M658 PolarHBondContact O-N 3.45Å; S655-D659 PolarHBondContact O-N 3.49Å; S655-D659 PolarHBondContact OG-OD2 3.28Å |
| 656 | K | 64.9 | Low | 65.3 | Low | 143 Ų | 143 | 83.4 Ų | 83.4 | 62% | 0.622 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -53.4 | -46.1 | -178.4 | -75.3 | -167.2 | 171.8 | -170.6 | 0 | 112.7 | A652 M658 D659 E660 | A652-K656 PolarHBondContact O-N 2.67Å; K656-M658 PolarHBondContact O-N 3.3Å; K656-D659 PolarHBondContact O-N 3.3Å; K656-E660 WeakPolarHBondContact O-CB 3.28Å; K656-E660 VanDerWaalsContact O-CD 3.25Å; K656-E660 WeakPolarHBondContact O-CG 3.31Å; K656-E660 PolarHBondContact O-N 2.88Å |
| 657 | K | 74.1 | Confident | 67.8 | Low | 143 Ų | 143 | 78.8 Ų | 78.8 | 62% | 0.622 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -60.1 | -26 | 175.9 | -74.4 | -158.8 | 171 | -160.7 | 0 | 114.5 | V653 S655 E660 K661 | V653-K657 PolarHBondContact O-N 2.78Å; S655-K657 VanDerWaalsContact C-N 3.32Å; S655-K657 PolarHBondContact O-N 3.35Å; K657-E660 WeakPolarHBondContact CA-OE2 3.44Å; K657-K661 WeakPolarHBondContact O-CG 3.41Å; K657-K661 PolarHBondContact O-N 3.25Å |
| 658 | M | 77.6 | Confident | 70.4 | Confident | 80 Ų | 80 | 76.4 Ų | 76.4 | 39% | 0.394 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -81.6 | -43.9 | 175 | -171.3 | 60.9 | 60.8 | 0 | 0 | 111.2 | S655 K656 E660 K661 L662 | S655-M658 WeakPolarHBondContact O-CA 3.35Å; S655-M658 WeakPolarHBondContact O-CB 3.36Å; S655-M658 PolarHBondContact O-N 3.45Å; K656-M658 PolarHBondContact O-N 3.3Å; M658-E660 VanDerWaalsContact C-N 3.27Å; M658-E660 PolarHBondContact O-N 3.47Å; M658-K661 PolarHBondContact O-N 2.77Å; M658-L662 HydrophobicContact CG-CD1 4.37Å; M658-L662 WeakPolarHBondContact O-CB 3.31Å; M658-L662 VanDerWaalsContact O-CG 3.3Å; M658-L662 WeakPolarHBondContact O-CG 3.5Å; M658-L662 PolarHBondContact O-N 3.15Å |
| 659 | D | 81.4 | Confident | 73.1 | Confident | 51 Ų | 51 | 69.9 Ų | 69.9 | 27% | 0.273 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.4 | -39.3 | 173.9 | -65.7 | -60.8 | 0 | 0 | 0 | 111.1 | S655 K656 L662 W663 | S655-D659 PolarHBondContact O-N 3.49Å; S655-D659 PolarHBondContact OG-OD2 3.28Å; K656-D659 PolarHBondContact O-N 3.3Å; D659-L662 PolarHBondContact O-N 2.7Å; D659-W663 VanDerWaalsContact O-CD1 3.27Å; D659-W663 PolarHBondContact O-N 3.17Å |
| 660 | E | 85 | Confident | 75.6 | Confident | 111 Ų | 111 | 68.9 Ų | 68.9 | 52% | 0.519 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.3 | -53.9 | 173 | -73.5 | 154 | -162.7 | 0 | 0 | 111.8 | K656 K657 M658 L662 W663 E664 | K656-E660 WeakPolarHBondContact O-CB 3.28Å; K656-E660 VanDerWaalsContact O-CD 3.25Å; K656-E660 WeakPolarHBondContact O-CG 3.31Å; K656-E660 PolarHBondContact O-N 2.88Å; K657-E660 WeakPolarHBondContact CA-OE2 3.44Å; M658-E660 VanDerWaalsContact C-N 3.27Å; M658-E660 PolarHBondContact O-N 3.47Å; E660-L662 VanDerWaalsContact C-N 3.25Å; E660-L662 PolarHBondContact O-N 2.68Å; E660-W663 PolarHBondContact O-N 2.74Å; E660-E664 PolarHBondContact O-N 3.2Å |
| 661 | K | 87.6 | Confident | 78 | Confident | 53 Ų | 53 | 64.3 Ų | 64.3 | 23% | 0.23 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -57.1 | -36.4 | 175.3 | -77.3 | -169.9 | 174.6 | -164.2 | 0 | 112.6 | K657 M658 V665 L763 D765 | K657-K661 WeakPolarHBondContact O-CG 3.41Å; K657-K661 PolarHBondContact O-N 3.25Å; M658-K661 PolarHBondContact O-N 2.77Å; K661-V665 PolarHBondContact O-N 2.91Å; K661-L763 HydrophobicContact CD-CB 4.49Å; K661-L763 HydrophobicContact CG-CD2 4.4Å; K661-L763 PolarHBondContact NZ-O 2.77Å; K661-D765 IonicContact NZ-OD2 3.92Å; K661-D765 PolarHBondContact NZ-OD2 2.91Å |
| 662 | L | 91.1 | Very high | 80.6 | Confident | 5 Ų | 5 | 63.5 Ų | 63.5 | 3% | 0.026 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68.9 | -42.8 | 177.4 | -74.8 | 170.8 | 0 | 0 | 0 | 112.4 | M658 D659 E660 Y666 L713 L724 | M658-L662 HydrophobicContact CG-CD1 4.37Å; M658-L662 WeakPolarHBondContact O-CB 3.31Å; M658-L662 VanDerWaalsContact O-CG 3.3Å; M658-L662 WeakPolarHBondContact O-CG 3.5Å; M658-L662 PolarHBondContact O-N 3.15Å; D659-L662 PolarHBondContact O-N 2.7Å; E660-L662 VanDerWaalsContact C-N 3.25Å; E660-L662 PolarHBondContact O-N 2.68Å; L662-Y666 PolarHBondContact O-N 2.82Å; L662-L713 HydrophobicContact CB-CD2 3.77Å; L662-L724 HydrophobicContact CB-CD2 4.33Å; L662-L724 HydrophobicContact CD2-CB 3.74Å; L662-L724 HydrophobicContact CD2-CD2 3.78Å; L662-L724 HydrophobicContact CD2-CG 4.41Å; L662-L724 WeakPolarHBondContact O-CD2 3.41Å |
| 663 | W | 92.7 | Very high | 83 | Confident | 74 Ų | 74 | 64.3 Ų | 64.3 | 28% | 0.28 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -69.1 | -32.7 | 175.5 | -85 | 103.1 | 0 | 0 | 0 | 112.8 | D659 E660 Y666 N667 L713 K714 | D659-W663 VanDerWaalsContact O-CD1 3.27Å; D659-W663 PolarHBondContact O-N 3.17Å; E660-W663 PolarHBondContact O-N 2.74Å; W663-Y666 AromaticContact CE3-CD1 3.82Å; W663-Y666 HydrophobicContact CE3-CD1 3.82Å; W663-Y666 HydrophobicContact CE3-CE1 4.48Å; W663-Y666 AromaticContact CZ3-CD1 3.65Å; W663-Y666 HydrophobicContact CZ3-CD1 3.65Å; W663-Y666 AromaticContact CZ3-CE1 3.89Å; W663-Y666 HydrophobicContact CZ3-CE1 3.89Å; W663-Y666 PolarHBondContact O-N 2.76Å; W663-N667 VanDerWaalsContact O-CB 3.29Å; W663-N667 WeakPolarHBondContact O-CB 3.2Å; W663-N667 PolarHBondContact O-N 3.17Å; W663-N667 PolarHBondContact O-ND2 3.01Å; W663-L713 HydrophobicContact CE3-CD1 4.44Å; W663-L713 HydrophobicContact CH2-CB 4.16Å; W663-L713 HydrophobicContact CZ2-CB 3.67Å; W663-L713 HydrophobicContact CZ3-CD1 4.46Å; W663-K714 HydrophobicContact CH2-CG 3.98Å; W663-K714 HydrophobicContact CZ2-CG 3.69Å |
| 664 | E | 91.7 | Very high | 84.8 | Confident | 77 Ų | 77 | 60.6 Ų | 60.6 | 36% | 0.36 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.1 | -49.9 | 176 | -165.6 | -168.9 | 142.6 | 0 | 0 | 111.7 | E660 Y666 N667 A668 K759 L763 | E660-E664 PolarHBondContact O-N 3.2Å; E664-Y666 VanDerWaalsContact C-N 3.35Å; E664-Y666 PolarHBondContact O-N 3.24Å; E664-N667 PolarHBondContact O-N 3.4Å; E664-A668 WeakPolarHBondContact O-CB 3.48Å; E664-A668 PolarHBondContact O-N 3.31Å; E664-K759 IonicContact OE1-NZ 2.8Å; E664-K759 PolarHBondContact OE1-NZ 2.79Å; E664-L763 HydrophobicContact CB-CD1 4.36Å; E664-L763 WeakPolarHBondContact OE2-CD2 3.29Å |
| 665 | V | 92.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.9 | -44.8 | 177.4 | 176 | 0 | 0 | 0 | 0 | 111.5 | K661 N667 A668 I669 L721 L724 L728 L756 L763 | K661-V665 PolarHBondContact O-N 2.91Å; V665-N667 PolarHBondContact O-N 3.48Å; V665-A668 PolarHBondContact O-N 3.01Å; V665-I669 WeakPolarHBondContact O-CG1 3.23Å; V665-I669 PolarHBondContact O-N 3.24Å; V665-I669 VanDerWaalsContact O-N 3.11Å; V665-L721 HydrophobicContact CG2-CD1 3.76Å; V665-L724 HydrophobicContact CB-CD2 4.02Å; V665-L724 HydrophobicContact CG1-CD2 4.17Å; V665-L728 HydrophobicContact CG1-CD1 3.93Å; V665-L756 HydrophobicContact CG1-CD1 3.58Å; V665-L763 HydrophobicContact CG2-CD1 3.46Å; V665-L763 VanDerWaalsContact CG2-CD1 3.46Å |
| 666 | Y | 95 | Very high | 87.1 | Confident | 12 Ų | 12 | 62.5 Ų | 62.5 | 5% | 0.047 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.2 | -42.4 | 178.5 | 175.4 | -91.3 | 0 | 0 | 0 | 112.1 | L662 W663 E664 I669 K670 L706 I709 S710 L713 | L662-Y666 PolarHBondContact O-N 2.82Å; W663-Y666 AromaticContact CE3-CD1 3.82Å; W663-Y666 HydrophobicContact CE3-CD1 3.82Å; W663-Y666 HydrophobicContact CE3-CE1 4.48Å; W663-Y666 AromaticContact CZ3-CD1 3.65Å; W663-Y666 HydrophobicContact CZ3-CD1 3.65Å; W663-Y666 AromaticContact CZ3-CE1 3.89Å; W663-Y666 HydrophobicContact CZ3-CE1 3.89Å; W663-Y666 PolarHBondContact O-N 2.76Å; E664-Y666 VanDerWaalsContact C-N 3.35Å; E664-Y666 PolarHBondContact O-N 3.24Å; Y666-I669 PolarHBondContact O-N 2.85Å; Y666-K670 HydrophobicContact CE1-CB 4.41Å; Y666-K670 HydrophobicContact CE1-CD 4Å; Y666-K670 WeakPolarHBondContact O-CB 3.33Å; Y666-K670 PolarHBondContact O-N 3.47Å; Y666-L706 HydrophobicContact CD2-CD2 4.29Å; Y666-L706 HydrophobicContact CE2-CB 4.13Å; Y666-L706 HydrophobicContact CE2-CD2 3.79Å; Y666-L706 PolarHBondContact OH-O 3.36Å; Y666-I709 HydrophobicContact CD2-CG2 3.77Å; Y666-I709 HydrophobicContact CE2-CB 4.34Å; Y666-I709 HydrophobicContact CE2-CG2 4.05Å; Y666-S710 WeakPolarHBondContact OH-CB 3.21Å; Y666-L713 VanDerWaalsContact CB-CD1 3.47Å; Y666-L713 HydrophobicContact CD1-CD1 4.14Å; Y666-L713 HydrophobicContact CD2-CD1 3.59Å; Y666-L713 HydrophobicContact CE2-CD1 4.43Å; Y666-L713 HydrophobicContact CG-CD1 3.43Å; Y666-L713 VanDerWaalsContact CG-CD1 3.43Å |
| 667 | N | 93.5 | Very high | 88 | Confident | 78 Ų | 78 | 58.1 Ų | 58.1 | 42% | 0.417 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67.7 | -44.6 | 178.6 | -71.5 | -23.4 | 0 | 0 | 0 | 111.2 | W663 E664 V665 I669 K670 S671 | W663-N667 VanDerWaalsContact O-CB 3.29Å; W663-N667 WeakPolarHBondContact O-CB 3.2Å; W663-N667 PolarHBondContact O-N 3.17Å; W663-N667 PolarHBondContact O-ND2 3.01Å; E664-N667 PolarHBondContact O-N 3.4Å; V665-N667 PolarHBondContact O-N 3.48Å; N667-I669 VanDerWaalsContact C-N 3.29Å; N667-I669 PolarHBondContact O-N 3.29Å; N667-K670 PolarHBondContact O-N 3.44Å; N667-S671 PolarHBondContact O-N 3.5Å; N667-S671 PolarHBondContact O-OG 3.16Å |
| 668 | A | 92.8 | Very high | 88.8 | Confident | 22 Ų | 22 | 54.8 Ų | 54.8 | 18% | 0.182 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.1 | -40.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E664 V665 A672 K759 | E664-A668 WeakPolarHBondContact O-CB 3.48Å; E664-A668 PolarHBondContact O-N 3.31Å; V665-A668 PolarHBondContact O-N 3.01Å; A668-A672 WeakPolarHBondContact O-CB 3.41Å; A668-A672 PolarHBondContact O-N 2.96Å; A668-K759 HydrophobicContact CB-CD 4.23Å; A668-K759 HydrophobicContact CB-CG 3.98Å |
| 669 | I | 94.7 | Very high | 89.5 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.8 | -43.9 | 171.8 | -67.9 | -56.9 | 0 | 0 | 0 | 112.1 | V665 Y666 N667 S681 L706 L728 F732 L752 I755 L756 | V665-I669 WeakPolarHBondContact O-CG1 3.23Å; V665-I669 PolarHBondContact O-N 3.24Å; V665-I669 VanDerWaalsContact O-N 3.11Å; Y666-I669 PolarHBondContact O-N 2.85Å; N667-I669 VanDerWaalsContact C-N 3.29Å; N667-I669 PolarHBondContact O-N 3.29Å; I669-S681 WeakPolarHBondContact O-CB 3.34Å; I669-L706 HydrophobicContact CG2-CD2 4.16Å; I669-L728 HydrophobicContact CG1-CD1 4.38Å; I669-L728 HydrophobicContact CG2-CD2 4.31Å; I669-F732 HydrophobicContact CD1-CE2 4.41Å; I669-F732 HydrophobicContact CD1-CZ 4.15Å; I669-F732 HydrophobicContact CG2-CE1 4.47Å; I669-F732 HydrophobicContact CG2-CZ 3.82Å; I669-L752 HydrophobicContact CD1-CB 4.43Å; I669-L752 HydrophobicContact CD1-CD2 4.42Å; I669-L752 WeakPolarHBondContact CD1-O 3.27Å; I669-L752 HydrophobicContact CG2-CD2 4.32Å; I669-L752 WeakPolarHBondContact O-CD2 3.44Å; I669-I755 HydrophobicContact CD1-CB 4.22Å; I669-I755 HydrophobicContact CD1-CG2 4.03Å; I669-L756 HydrophobicContact CD1-CB 3.95Å; I669-L756 HydrophobicContact CG1-CD1 4.48Å |
| 670 | K | 93.7 | Very high | 90 | Very high | 104 Ų | 104 | 51.9 Ų | 51.9 | 45% | 0.452 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -68.2 | -38.2 | -175.8 | -168.3 | -167.2 | 171.8 | -155.5 | 0 | 112.7 | Y666 N667 V679 S681 | Y666-K670 HydrophobicContact CE1-CB 4.41Å; Y666-K670 HydrophobicContact CE1-CD 4Å; Y666-K670 WeakPolarHBondContact O-CB 3.33Å; Y666-K670 PolarHBondContact O-N 3.47Å; N667-K670 PolarHBondContact O-N 3.44Å; K670-V679 VanDerWaalsContact O-CG1 3.27Å; K670-V679 WeakPolarHBondContact O-CG1 3.3Å; K670-S681 WeakPolarHBondContact O-CB 3.49Å; K670-S681 PolarHBondContact O-OG 3.09Å |
| 671 | S | 91.2 | Very high | 90.4 | Very high | 82 Ų | 82 | 46.7 Ų | 46.7 | 57% | 0.573 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | 3.3 | -176.2 | 66.2 | 0 | 0 | 0 | 0 | 114.7 | N667 T673 | N667-S671 PolarHBondContact O-N 3.5Å; N667-S671 PolarHBondContact O-OG 3.16Å; S671-T673 PolarHBondContact O-N 2.86Å |
| 672 | A | 90.9 | Very high | 90.6 | Very high | 14 Ų | 14 | 48.5 Ų | 48.5 | 12% | 0.116 | 28% | 0.28 | C | S | . | . | trans | -62.1 | 129.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111 | A668 V679 Y680 L752 I755 | A668-A672 WeakPolarHBondContact O-CB 3.41Å; A668-A672 PolarHBondContact O-N 2.96Å; A672-V679 WeakPolarHBondContact O-CA 3.43Å; A672-Y680 HydrophobicContact CB-CD2 3.9Å; A672-Y680 PolarHBondContact O-N 3.45Å; A672-L752 HydrophobicContact CB-CD2 3.71Å; A672-I755 HydrophobicContact CB-CD1 3.71Å | ||
| 673 | T | 90.4 | Very high | 90.7 | Very high | 71 Ų | 71 | 54 Ų | 54 | 44% | 0.436 | 31% | 0.307 | S | S | . | . | B | Isolated β-bridge | trans | -127.4 | 152.8 | -175.7 | 38.6 | 0 | 0 | 0 | 0 | 111.5 | S671 G677 R678 V679 Y680 | S671-T673 PolarHBondContact O-N 2.86Å; T673-G677 WeakPolarHBondContact CG2-O 3.47Å; T673-R678 CarbonylContact C-O 3.52Å; T673-R678 VanDerWaalsContact CA-O 3.23Å; T673-R678 WeakPolarHBondContact CA-O 3.42Å; T673-V679 HydrophobicContact CG2-CB 4.34Å; T673-V679 HydrophobicContact CG2-CG2 3.65Å; T673-Y680 WeakPolarHBondContact O-CE2 3.48Å |
| 674 | D | 85.9 | Confident | 90.8 | Very high | 10 Ų | 10 | 51 Ų | 51 | 5% | 0.053 | 30% | 0.296 | C | S | . | . | trans | -80.5 | 176.8 | 164.6 | 73.9 | 22.8 | 0 | 0 | 0 | 111.7 | S676 G677 R678 Y680 Y1291 | D674-S676 PolarHBondContact O-N 2.66Å; D674-S676 VanDerWaalsContact O-N 3.1Å; D674-S676 WeakPolarHBondContact OD1-CA 3.36Å; D674-S676 WeakPolarHBondContact OD1-CB 3.38Å; D674-S676 PolarHBondContact OD1-N 3.12Å; D674-S676 PolarHBondContact OD1-OG 3.27Å; D674-G677 PolarHBondContact O-N 2.79Å; D674-G677 PolarHBondContact OD1-N 2.75Å; D674-R678 PolarHBondContact N-O 3.26Å; D674-R678 WeakPolarHBondContact OD1-CB 3.31Å; D674-R678 PolarHBondContact OD1-N 2.91Å; D674-R678 IonicContact OD2-CZ 3.91Å; D674-R678 IonicContact OD2-NE 2.68Å; D674-R678 PolarHBondContact OD2-NE 2.76Å; D674-R678 IonicContact OD2-NH2 2.72Å; D674-Y680 WeakPolarHBondContact CA-OH 3.03Å; D674-Y680 HydrophobicContact CB-CE1 3.8Å; D674-Y680 HydrophobicContact CB-CE2 4.4Å; D674-Y680 WeakPolarHBondContact CB-OH 3.45Å; D674-Y1291 HydrophobicContact CB-CE1 4.23Å; D674-Y1291 WeakPolarHBondContact OD2-CE1 3.41Å; D674-Y1291 PolarHBondContact OD2-OH 3.19Å | ||
| 675 | S | 82.1 | Confident | 90.9 | Very high | 117 Ų | 117 | 50.2 Ų | 50.2 | 82% | 0.818 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -11.2 | -179.3 | 50 | 0 | 0 | 0 | 0 | 114.8 | ||
| 676 | S | 80.9 | Confident | 90.9 | Very high | 65 Ų | 65 | 57.2 Ų | 57.2 | 46% | 0.455 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 0.4 | 171.7 | 74.6 | 0 | 0 | 0 | 0 | 113.5 | D674 R678 | D674-S676 PolarHBondContact O-N 2.66Å; D674-S676 VanDerWaalsContact O-N 3.1Å; D674-S676 WeakPolarHBondContact OD1-CA 3.36Å; D674-S676 WeakPolarHBondContact OD1-CB 3.38Å; D674-S676 PolarHBondContact OD1-N 3.12Å; D674-S676 PolarHBondContact OD1-OG 3.27Å; S676-R678 VanDerWaalsContact C-N 3.3Å |
| 677 | G | 84.3 | Confident | 90.8 | Very high | 51 Ų | 51 | 58.4 Ų | 58.4 | 53% | 0.526 | 33% | 0.333 | S | S | . | . | trans | 80.9 | 5.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | T673 D674 V679 | T673-G677 WeakPolarHBondContact CG2-O 3.47Å; D674-G677 PolarHBondContact O-N 2.79Å; D674-G677 PolarHBondContact OD1-N 2.75Å; G677-V679 PolarHBondContact O-N 3.2Å | ||
| 678 | R | 91.2 | Very high | 90.6 | Very high | 72 Ų | 72 | 56.7 Ų | 56.7 | 27% | 0.272 | 33% | 0.327 | S | S | . | . | trans | -69.5 | 126 | 175.4 | -178.9 | -169.7 | 69.8 | 94.5 | -9.5 | 109.5 | T673 D674 S676 Y680 D748 Y1291 | T673-R678 CarbonylContact C-O 3.52Å; T673-R678 VanDerWaalsContact CA-O 3.23Å; T673-R678 WeakPolarHBondContact CA-O 3.42Å; D674-R678 PolarHBondContact N-O 3.26Å; D674-R678 WeakPolarHBondContact OD1-CB 3.31Å; D674-R678 PolarHBondContact OD1-N 2.91Å; D674-R678 IonicContact OD2-CZ 3.91Å; D674-R678 IonicContact OD2-NE 2.68Å; D674-R678 PolarHBondContact OD2-NE 2.76Å; D674-R678 IonicContact OD2-NH2 2.72Å; S676-R678 VanDerWaalsContact C-N 3.3Å; R678-Y680 PolarHBondContact O-N 3.35Å; R678-D748 IonicContact CZ-OD1 3.84Å; R678-D748 IonicContact CZ-OD2 3.22Å; R678-D748 IonicContact NH1-OD1 2.68Å; R678-D748 PolarHBondContact NH1-OD1 2.81Å; R678-D748 IonicContact NH1-OD2 3.77Å; R678-D748 PolarHBondContact NH1-OD2 3.17Å; R678-D748 IonicContact NH2-OD1 2.87Å; R678-D748 PolarHBondContact NH2-OD1 3.13Å; R678-D748 IonicContact NH2-OD2 2.84Å; R678-Y1291 PolarHBondContact NH2-OH 3.17Å | ||
| 679 | V | 91.4 | Very high | 90.5 | Very high | 38 Ų | 38 | 58.2 Ų | 58.2 | 23% | 0.23 | 34% | 0.336 | C | S | . | . | B | Isolated β-bridge | trans | -76.5 | 117.7 | -179.5 | 176.4 | 0 | 0 | 0 | 0 | 109.8 | K670 A672 T673 G677 S681 D682 | K670-V679 VanDerWaalsContact O-CG1 3.27Å; K670-V679 WeakPolarHBondContact O-CG1 3.3Å; A672-V679 WeakPolarHBondContact O-CA 3.43Å; T673-V679 HydrophobicContact CG2-CB 4.34Å; T673-V679 HydrophobicContact CG2-CG2 3.65Å; G677-V679 PolarHBondContact O-N 3.2Å; V679-S681 WeakPolarHBondContact CG1-OG 3.4Å; V679-S681 PolarHBondContact O-N 3.26Å; V679-D682 PolarHBondContact O-N 2.99Å |
| 680 | Y | 92 | Very high | 90.1 | Very high | 33 Ų | 33 | 64.6 Ų | 64.6 | 13% | 0.129 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -27.5 | 177.8 | -65.4 | -63.5 | 0 | 0 | 0 | 112.3 | A672 T673 D674 R678 D682 F684 D748 T751 L752 | A672-Y680 HydrophobicContact CB-CD2 3.9Å; A672-Y680 PolarHBondContact O-N 3.45Å; T673-Y680 WeakPolarHBondContact O-CE2 3.48Å; D674-Y680 WeakPolarHBondContact CA-OH 3.03Å; D674-Y680 HydrophobicContact CB-CE1 3.8Å; D674-Y680 HydrophobicContact CB-CE2 4.4Å; D674-Y680 WeakPolarHBondContact CB-OH 3.45Å; R678-Y680 PolarHBondContact O-N 3.35Å; Y680-D682 PolarHBondContact O-N 3.46Å; Y680-F684 WeakPolarHBondContact O-CD2 3.18Å; Y680-F684 VanDerWaalsContact O-CE2 3.28Å; Y680-F684 WeakPolarHBondContact O-CE2 3.22Å; Y680-D748 HydrophobicContact CD1-CB 4.29Å; Y680-D748 WeakPolarHBondContact CD1-OD1 3.42Å; Y680-T751 HydrophobicContact CD2-CG2 4.42Å; Y680-T751 HydrophobicContact CE1-CG2 4.22Å; Y680-T751 HydrophobicContact CE2-CG2 3.91Å; Y680-L752 HydrophobicContact CD2-CD2 4.48Å |
| 681 | S | 93.9 | Very high | 89.7 | Confident | 2 Ų | 2 | 62.3 Ų | 62.3 | 1% | 0.014 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -12 | -172.4 | 91 | 0 | 0 | 0 | 0 | 115 | I669 K670 V679 M683 F684 V685 | I669-S681 WeakPolarHBondContact O-CB 3.34Å; K670-S681 WeakPolarHBondContact O-CB 3.49Å; K670-S681 PolarHBondContact O-OG 3.09Å; V679-S681 WeakPolarHBondContact CG1-OG 3.4Å; V679-S681 PolarHBondContact O-N 3.26Å; S681-M683 PolarHBondContact O-N 2.85Å; S681-F684 CarbonylContact O-C 3.51Å; S681-F684 WeakPolarHBondContact O-CA 3.46Å; S681-F684 WeakPolarHBondContact O-CB 3.4Å; S681-F684 PolarHBondContact O-N 3.1Å; S681-V685 PolarHBondContact O-N 3.36Å |
| 682 | D | 91.4 | Very high | 89.4 | Confident | 91 Ų | 91 | 62.1 Ų | 62.1 | 49% | 0.487 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -57.8 | -43 | -170.9 | -76.7 | -18.9 | 0 | 0 | 0 | 113.2 | V679 Y680 F684 V685 | V679-D682 PolarHBondContact O-N 2.99Å; Y680-D682 PolarHBondContact O-N 3.46Å; D682-F684 PolarHBondContact O-N 3.42Å; D682-V685 PolarHBondContact O-N 2.57Å |
| 683 | M | 92 | Very high | 89.1 | Confident | 120 Ų | 120 | 67.2 Ų | 67.2 | 59% | 0.591 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -70.2 | -7.4 | 177.3 | -66.5 | -69.9 | 99.2 | 0 | 0 | 113.9 | S681 I745 | S681-M683 PolarHBondContact O-N 2.85Å; M683-I745 HydrophobicContact CB-CG1 4.32Å; M683-I745 HydrophobicContact CG-CD1 4.4Å; M683-I745 HydrophobicContact CG-CG1 4.12Å; M683-I745 HydrophobicContact SD-CD1 4.32Å |
| 684 | F | 95.2 | Very high | 88.9 | Confident | 12 Ų | 12 | 66.3 Ų | 66.3 | 5% | 0.053 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -110.8 | -4 | -178.2 | -54.3 | -97.5 | 0 | 0 | 0 | 112.9 | Y680 S681 D682 K686 L706 M731 F732 A735 I745 D748 A749 L752 | Y680-F684 WeakPolarHBondContact O-CD2 3.18Å; Y680-F684 VanDerWaalsContact O-CE2 3.28Å; Y680-F684 WeakPolarHBondContact O-CE2 3.22Å; S681-F684 CarbonylContact O-C 3.51Å; S681-F684 WeakPolarHBondContact O-CA 3.46Å; S681-F684 WeakPolarHBondContact O-CB 3.4Å; S681-F684 PolarHBondContact O-N 3.1Å; D682-F684 PolarHBondContact O-N 3.42Å; F684-K686 VanDerWaalsContact C-N 3.32Å; F684-K686 PolarHBondContact O-N 2.92Å; F684-L706 HydrophobicContact CB-CD1 4.14Å; F684-L706 HydrophobicContact CB-CG 4.37Å; F684-L706 PolarHBondContact O-N 3.29Å; F684-M731 HydrophobicContact CB-CE 3.68Å; F684-M731 HydrophobicContact CB-SD 3.93Å; F684-M731 HydrophobicContact CD1-CE 3.94Å; F684-M731 HydrophobicContact CD1-CG 4.24Å; F684-M731 HydrophobicContact CD1-SD 4.48Å; F684-M731 HydrophobicContact CG-CE 4.08Å; F684-F732 HydrophobicContact CD1-CD1 4.22Å; F684-F732 HydrophobicContact CD1-CE1 4.41Å; F684-F732 HydrophobicContact CE1-CD1 4Å; F684-A735 HydrophobicContact CD1-CB 4.46Å; F684-A735 HydrophobicContact CE1-CB 3.58Å; F684-A735 HydrophobicContact CZ-CB 4.28Å; F684-I745 HydrophobicContact CZ-CG2 4.19Å; F684-D748 HydrophobicContact CE2-CB 3.92Å; F684-D748 HydrophobicContact CZ-CB 4.23Å; F684-A749 HydrophobicContact CE1-CB 3.89Å; F684-A749 HydrophobicContact CZ-CB 3.74Å; F684-L752 HydrophobicContact CD2-CD1 3.91Å; F684-L752 HydrophobicContact CE2-CD1 3.88Å; F684-L752 HydrophobicContact CZ-CD1 4.42Å |
| 685 | V | 94.2 | Very high | 89 | Confident | 59 Ų | 59 | 68.2 Ų | 68.2 | 36% | 0.358 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -60.9 | -41.1 | -177 | 175 | 0 | 0 | 0 | 0 | 111.9 | S681 D682 Q707 | S681-V685 PolarHBondContact O-N 3.36Å; D682-V685 PolarHBondContact O-N 2.57Å; V685-Q707 VanDerWaalsContact O-CB 3.26Å; V685-Q707 WeakPolarHBondContact O-CB 3.38Å; V685-Q707 PolarHBondContact O-N 2.96Å |
| 686 | K | 92.1 | Very high | 89.4 | Confident | 148 Ų | 148 | 63.4 Ų | 63.4 | 64% | 0.643 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -145.2 | 138.5 | -173 | -177.8 | -176.1 | 174.8 | -170.8 | 0 | 110.4 | F684 D705 | F684-K686 VanDerWaalsContact C-N 3.32Å; F684-K686 PolarHBondContact O-N 2.92Å; K686-D705 WeakPolarHBondContact CA-OD2 3.48Å |
| 687 | L | 93.4 | Very high | 89.9 | Confident | 36 Ų | 36 | 63.2 Ų | 63.2 | 19% | 0.188 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -57.7 | 143.7 | 177.3 | -76.1 | 174 | 0 | 0 | 0 | 113 | Y696 P703 I704 D705 | L687-Y696 HydrophobicContact CD2-CE1 3.88Å; L687-P703 HydrophobicContact CD1-CB 3.44Å; L687-P703 VanDerWaalsContact CD1-CB 3.44Å; L687-P703 HydrophobicContact CD2-CB 3.74Å; L687-P703 HydrophobicContact CG-CB 4.25Å; L687-I704 WeakPolarHBondContact CD2-O 3.47Å; L687-D705 HydrophobicContact CD2-CB 4.47Å; L687-D705 HydrophobicContact CG-CB 4Å; L687-D705 WeakPolarHBondContact CG-OD2 3.47Å; L687-D705 PolarHBondContact N-OD2 2.95Å |
| 688 | P | 90 | Very high | 90 | Very high | 43 Ų | 43 | 68.2 Ų | 68.2 | 28% | 0.279 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 143.9 | 169.2 | -24 | 33.3 | 0 | 0 | 0 | 111.5 | Y693 Y696 Y697 | P688-Y693 HydrophobicContact CB-CD2 3.61Å; P688-Y693 HydrophobicContact CB-CE2 4.36Å; P688-Y693 HydrophobicContact CB-CG 3.86Å; P688-Y696 HydrophobicContact CG-CD1 4.48Å; P688-Y696 HydrophobicContact CG-CD2 4.5Å; P688-Y696 HydrophobicContact CG-CG 4.43Å; P688-Y697 VanDerWaalsContact O-CE2 3.29Å; P688-Y697 WeakPolarHBondContact O-CE2 3.44Å; P688-Y697 PolarHBondContact O-OH 3.39Å |
| 689 | S | 88.9 | Confident | 89.7 | Confident | 53 Ų | 53 | 68 Ų | 68 | 37% | 0.371 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 140.1 | -179.3 | -171.4 | 0 | 0 | 0 | 0 | 111.3 | S691 D692 Y693 | S689-S691 VanDerWaalsContact C-N 3.26Å; S689-S691 PolarHBondContact O-N 2.85Å; S689-S691 PolarHBondContact OG-OG 3.31Å; S689-D692 WeakPolarHBondContact CB-OD2 3.5Å; S689-D692 PolarHBondContact O-N 3.48Å; S689-Y693 PolarHBondContact O-N 3.26Å |
| 690 | K | 87.8 | Confident | 89.7 | Confident | 135 Ų | 135 | 66.3 Ų | 66.3 | 59% | 0.587 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -15.3 | 178.5 | -171.6 | 160.4 | -176.9 | 167.7 | 0 | 113.8 | Y697 | K690-Y697 HydrophobicContact CB-CD2 3.8Å; K690-Y697 HydrophobicContact CB-CE2 3.58Å; K690-Y697 HydrophobicContact CB-CG 4.42Å; K690-Y697 HydrophobicContact CD-CD1 4.02Å; K690-Y697 HydrophobicContact CD-CD2 4.02Å; K690-Y697 HydrophobicContact CD-CE1 4.41Å; K690-Y697 HydrophobicContact CD-CE2 4.44Å; K690-Y697 HydrophobicContact CD-CG 3.8Å; K690-Y697 HydrophobicContact CG-CD2 3.68Å; K690-Y697 HydrophobicContact CG-CE2 4.02Å; K690-Y697 HydrophobicContact CG-CG 3.99Å |
| 691 | S | 83.6 | Confident | 89.5 | Confident | 57 Ų | 57 | 75.8 Ų | 75.8 | 40% | 0.399 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -40 | 168.1 | 45.4 | 0 | 0 | 0 | 0 | 112 | S689 | S689-S691 VanDerWaalsContact C-N 3.26Å; S689-S691 PolarHBondContact O-N 2.85Å; S689-S691 PolarHBondContact OG-OG 3.31Å |
| 692 | D | 84.9 | Confident | 89.3 | Confident | 77 Ų | 77 | 82.9 Ų | 82.9 | 41% | 0.412 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -31.4 | -164.6 | -39.6 | -20.4 | 0 | 0 | 0 | 110.8 | S689 P694 | S689-D692 WeakPolarHBondContact CB-OD2 3.5Å; S689-D692 PolarHBondContact O-N 3.48Å; D692-P694 WeakPolarHBondContact O-CD 3.26Å |
| 693 | Y | 84.8 | Confident | 89.5 | Confident | 121 Ų | 121 | 79.9 Ų | 79.9 | 48% | 0.475 | 39% | 0.391 | S | S | . | . | trans | -124.7 | 59.3 | 178.6 | -60.5 | -88.3 | 0 | 0 | 0 | 111.8 | P688 S689 S695 Y696 Y697 | P688-Y693 HydrophobicContact CB-CD2 3.61Å; P688-Y693 HydrophobicContact CB-CE2 4.36Å; P688-Y693 HydrophobicContact CB-CG 3.86Å; S689-Y693 PolarHBondContact O-N 3.26Å; Y693-S695 PolarHBondContact O-N 3.27Å; Y693-Y696 WeakPolarHBondContact O-CB 3.46Å; Y693-Y696 PolarHBondContact O-N 3.28Å; Y693-Y696 VanDerWaalsContact O-N 3.13Å; Y693-Y697 WeakPolarHBondContact O-CD2 3.48Å | ||
| 694 | P | 87.2 | Confident | 89.7 | Confident | 53 Ų | 53 | 74.4 Ų | 74.4 | 34% | 0.344 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -37 | 180 | 24.6 | -33.8 | 0 | 0 | 0 | 112.3 | D692 Y696 Y697 E698 | D692-P694 WeakPolarHBondContact O-CD 3.26Å; P694-Y696 VanDerWaalsContact C-N 3.28Å; P694-Y696 PolarHBondContact O-N 3.18Å; P694-Y697 PolarHBondContact O-N 3.42Å; P694-E698 PolarHBondContact O-N 3.41Å |
| 695 | S | 87.3 | Confident | 89.7 | Confident | 49 Ų | 49 | 74.6 Ų | 74.6 | 34% | 0.343 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -35.8 | 175 | 48.1 | 0 | 0 | 0 | 0 | 113.7 | Y693 Y697 E698 V699 Y738 | Y693-S695 PolarHBondContact O-N 3.27Å; S695-Y697 VanDerWaalsContact C-N 3.26Å; S695-Y697 PolarHBondContact O-N 3.37Å; S695-E698 PolarHBondContact O-N 2.95Å; S695-E698 VanDerWaalsContact O-N 3.09Å; S695-V699 PolarHBondContact O-N 3.3Å; S695-Y738 PolarHBondContact OG-OH 2.62Å |
| 696 | Y | 91.2 | Very high | 89.8 | Confident | 17 Ų | 17 | 71.9 Ų | 71.9 | 7% | 0.067 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.9 | -41.6 | 174.8 | -178.8 | -94.8 | 0 | 0 | 0 | 110.8 | L687 P688 Y693 P694 E698 I700 P703 Y738 | L687-Y696 HydrophobicContact CD2-CE1 3.88Å; P688-Y696 HydrophobicContact CG-CD1 4.48Å; P688-Y696 HydrophobicContact CG-CD2 4.5Å; P688-Y696 HydrophobicContact CG-CG 4.43Å; Y693-Y696 WeakPolarHBondContact O-CB 3.46Å; Y693-Y696 PolarHBondContact O-N 3.28Å; Y693-Y696 VanDerWaalsContact O-N 3.13Å; P694-Y696 VanDerWaalsContact C-N 3.28Å; P694-Y696 PolarHBondContact O-N 3.18Å; Y696-E698 VanDerWaalsContact C-N 3.29Å; Y696-E698 PolarHBondContact O-N 2.86Å; Y696-I700 HydrophobicContact CD1-CB 4.45Å; Y696-I700 HydrophobicContact CD2-CG1 3.96Å; Y696-I700 HydrophobicContact CE1-CB 4.16Å; Y696-I700 HydrophobicContact CE1-CG1 4.41Å; Y696-I700 HydrophobicContact CE1-CG2 4.23Å; Y696-I700 HydrophobicContact CE2-CB 4.33Å; Y696-I700 HydrophobicContact CE2-CG1 3.68Å; Y696-I700 HydrophobicContact CG-CG1 4.44Å; Y696-I700 WeakPolarHBondContact O-CA 3.3Å; Y696-I700 WeakPolarHBondContact O-CB 3.25Å; Y696-I700 PolarHBondContact O-N 2.85Å; Y696-P703 HydrophobicContact CE1-CB 4.3Å; Y696-P703 HydrophobicContact CE1-CG 4.45Å; Y696-Y738 VanDerWaalsContact CA-CE2 3.43Å; Y696-Y738 AromaticContact CD2-CD1 3.73Å; Y696-Y738 HydrophobicContact CD2-CD1 3.73Å; Y696-Y738 AromaticContact CD2-CD2 3.87Å; Y696-Y738 HydrophobicContact CD2-CD2 3.87Å; Y696-Y738 HydrophobicContact CD2-CE1 4.1Å; Y696-Y738 HydrophobicContact CD2-CE2 4.24Å; Y696-Y738 AromaticContact CD2-CG 3.6Å; Y696-Y738 HydrophobicContact CD2-CG 3.6Å; Y696-Y738 HydrophobicContact CE2-CD1 4.4Å; Y696-Y738 HydrophobicContact CE2-CG 4.19Å |
| 697 | Y | 92 | Very high | 89.9 | Confident | 60 Ų | 60 | 70.6 Ų | 70.6 | 24% | 0.235 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -79.8 | -5 | 178.4 | -66.2 | -88.7 | 0 | 0 | 0 | 114.4 | P688 K690 Y693 P694 S695 P703 | P688-Y697 VanDerWaalsContact O-CE2 3.29Å; P688-Y697 WeakPolarHBondContact O-CE2 3.44Å; P688-Y697 PolarHBondContact O-OH 3.39Å; K690-Y697 HydrophobicContact CB-CD2 3.8Å; K690-Y697 HydrophobicContact CB-CE2 3.58Å; K690-Y697 HydrophobicContact CB-CG 4.42Å; K690-Y697 HydrophobicContact CD-CD1 4.02Å; K690-Y697 HydrophobicContact CD-CD2 4.02Å; K690-Y697 HydrophobicContact CD-CE1 4.41Å; K690-Y697 HydrophobicContact CD-CE2 4.44Å; K690-Y697 HydrophobicContact CD-CG 3.8Å; K690-Y697 HydrophobicContact CG-CD2 3.68Å; K690-Y697 HydrophobicContact CG-CE2 4.02Å; K690-Y697 HydrophobicContact CG-CG 3.99Å; Y693-Y697 WeakPolarHBondContact O-CD2 3.48Å; P694-Y697 PolarHBondContact O-N 3.42Å; S695-Y697 VanDerWaalsContact C-N 3.26Å; S695-Y697 PolarHBondContact O-N 3.37Å; Y697-P703 HydrophobicContact CD1-CG 3.82Å; Y697-P703 HydrophobicContact CE1-CB 4.16Å; Y697-P703 HydrophobicContact CE1-CG 3.84Å |
| 698 | E | 86.1 | Confident | 90 | Very high | 157 Ų | 157 | 73 Ų | 73 | 73% | 0.734 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -90.7 | -40.6 | 170.4 | -66.1 | -179 | 171.2 | 0 | 0 | 111.2 | P694 S695 Y696 | P694-E698 PolarHBondContact O-N 3.41Å; S695-E698 PolarHBondContact O-N 2.95Å; S695-E698 VanDerWaalsContact O-N 3.09Å; Y696-E698 VanDerWaalsContact C-N 3.29Å; Y696-E698 PolarHBondContact O-N 2.86Å |
| 699 | V | 85 | Confident | 90.3 | Very high | 67 Ų | 67 | 71 Ų | 71 | 41% | 0.406 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -79 | -46.9 | 177.3 | -178.9 | 0 | 0 | 0 | 0 | 111.5 | S695 R701 K737 Y738 | S695-V699 PolarHBondContact O-N 3.3Å; V699-R701 PolarHBondContact O-N 2.75Å; V699-K737 HydrophobicContact CG1-CG 4.38Å; V699-Y738 HydrophobicContact CB-CD2 4.19Å; V699-Y738 HydrophobicContact CG1-CD2 4.47Å; V699-Y738 HydrophobicContact CG2-CD2 4.39Å; V699-Y738 HydrophobicContact CG2-CE2 4.49Å |
| 700 | I | 90.4 | Very high | 90.5 | Very high | 3 Ų | 3 | 69.4 Ų | 69.4 | 2% | 0.015 | 33% | 0.33 | C | S | . | . | trans | -93.7 | 98 | -172.7 | -56.6 | -54.4 | 0 | 0 | 0 | 111.2 | Y696 K702 P703 N734 K737 | Y696-I700 HydrophobicContact CD1-CB 4.45Å; Y696-I700 HydrophobicContact CD2-CG1 3.96Å; Y696-I700 HydrophobicContact CE1-CB 4.16Å; Y696-I700 HydrophobicContact CE1-CG1 4.41Å; Y696-I700 HydrophobicContact CE1-CG2 4.23Å; Y696-I700 HydrophobicContact CE2-CB 4.33Å; Y696-I700 HydrophobicContact CE2-CG1 3.68Å; Y696-I700 HydrophobicContact CG-CG1 4.44Å; Y696-I700 WeakPolarHBondContact O-CA 3.3Å; Y696-I700 WeakPolarHBondContact O-CB 3.25Å; Y696-I700 PolarHBondContact O-N 2.85Å; I700-K702 PolarHBondContact O-N 2.93Å; I700-P703 HydrophobicContact CG2-CG 4.22Å; I700-P703 WeakPolarHBondContact O-CD 3.43Å; I700-P703 WeakPolarHBondContact O-CG 3.36Å; I700-N734 HydrophobicContact CD1-CB 4.23Å; I700-N734 WeakPolarHBondContact CD1-O 3.48Å; I700-N734 HydrophobicContact CG2-CB 3.87Å; I700-N734 WeakPolarHBondContact CG2-OD1 3.36Å; I700-K737 HydrophobicContact CD1-CB 4.15Å; I700-K737 HydrophobicContact CD1-CG 4.36Å | ||
| 701 | R | 88 | Confident | 90.8 | Very high | 231 Ų | 231 | 69.4 Ų | 69.4 | 87% | 0.872 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -73.2 | -18.6 | -177 | -61.3 | -176.3 | -176 | 170.7 | 3.8 | 115 | V699 | V699-R701 PolarHBondContact O-N 2.75Š|
| 702 | K | 90.4 | Very high | 91.3 | Very high | 151 Ų | 151 | 69.4 Ų | 69.4 | 66% | 0.657 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -131.5 | 72.2 | 177.8 | -68.2 | -174.9 | 178.9 | 179.2 | 0 | 112.3 | I700 I704 L730 N734 | I700-K702 PolarHBondContact O-N 2.93Å; K702-I704 PolarHBondContact O-N 2.58Å; K702-L730 HydrophobicContact CB-CD1 4.3Å; K702-L730 HydrophobicContact CB-CD2 4.08Å; K702-L730 HydrophobicContact CD-CD2 4.4Å; K702-N734 PolarHBondContact O-ND2 2.71Å |
| 703 | P | 94.8 | Very high | 91.6 | Very high | 28 Ų | 28 | 66.1 Ų | 66.1 | 18% | 0.182 | 31% | 0.306 | C | S | . | . | trans | -62 | 134.2 | 176.8 | -23.7 | 35.8 | 0 | 0 | 0 | 113.3 | L687 Y696 Y697 I700 K708 | L687-P703 HydrophobicContact CD1-CB 3.44Å; L687-P703 VanDerWaalsContact CD1-CB 3.44Å; L687-P703 HydrophobicContact CD2-CB 3.74Å; L687-P703 HydrophobicContact CG-CB 4.25Å; Y696-P703 HydrophobicContact CE1-CB 4.3Å; Y696-P703 HydrophobicContact CE1-CG 4.45Å; Y697-P703 HydrophobicContact CD1-CG 3.82Å; Y697-P703 HydrophobicContact CE1-CB 4.16Å; Y697-P703 HydrophobicContact CE1-CG 3.84Å; I700-P703 HydrophobicContact CG2-CG 4.22Å; I700-P703 WeakPolarHBondContact O-CD 3.43Å; I700-P703 WeakPolarHBondContact O-CG 3.36Å; P703-K708 PolarHBondContact O-NZ 2.78Å | ||
| 704 | I | 95.6 | Very high | 91.9 | Very high | 5 Ų | 5 | 67.9 Ų | 67.9 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | trans | -148.1 | 151.7 | 174.2 | -169 | 162.4 | 0 | 0 | 0 | 109.3 | L687 K702 K708 I709 D727 L730 M731 | L687-I704 WeakPolarHBondContact CD2-O 3.47Å; K702-I704 PolarHBondContact O-N 2.58Å; I704-K708 HydrophobicContact CG1-CD 4.18Å; I704-K708 HydrophobicContact CG1-CG 4.43Å; I704-I709 HydrophobicContact CD1-CD1 3.98Å; I704-I709 HydrophobicContact CD1-CG1 3.65Å; I704-I709 HydrophobicContact CG1-CD1 4.08Å; I704-I709 HydrophobicContact CG1-CG1 3.85Å; I704-D727 HydrophobicContact CD1-CB 3.74Å; I704-D727 WeakPolarHBondContact CD1-OD1 3.47Å; I704-D727 WeakPolarHBondContact CD1-OD2 3.43Å; I704-L730 HydrophobicContact CG2-CB 4.43Å; I704-L730 HydrophobicContact CG2-CD2 4.08Å; I704-L730 HydrophobicContact CG2-CG 3.96Å; I704-M731 HydrophobicContact CG2-CB 3.9Å; I704-M731 HydrophobicContact CG2-CG 4.29Å | ||
| 705 | D | 95.9 | Very high | 92 | Very high | 17 Ų | 17 | 68.5 Ų | 68.5 | 9% | 0.091 | 33% | 0.325 | C | S | . | . | trans | -141 | 167.8 | 178.1 | 54.4 | 26.8 | 0 | 0 | 0 | 110.3 | K686 L687 Q707 K708 I709 | K686-D705 WeakPolarHBondContact CA-OD2 3.48Å; L687-D705 HydrophobicContact CD2-CB 4.47Å; L687-D705 HydrophobicContact CG-CB 4Å; L687-D705 WeakPolarHBondContact CG-OD2 3.47Å; L687-D705 PolarHBondContact N-OD2 2.95Å; D705-Q707 VanDerWaalsContact C-N 3.27Å; D705-Q707 PolarHBondContact O-N 2.74Å; D705-K708 PolarHBondContact O-N 2.83Å; D705-K708 WeakPolarHBondContact OD1-CB 3.31Å; D705-K708 PolarHBondContact OD1-N 3.5Å; D705-I709 WeakPolarHBondContact O-CG1 2.93Å; D705-I709 PolarHBondContact O-N 3.43Å; D705-I709 VanDerWaalsContact O-N 3.09Å | ||
| 706 | L | 96.5 | Very high | 91.9 | Very high | 2 Ų | 2 | 70.1 Ų | 70.1 | 1% | 0.01 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.4 | -31 | 179.3 | -68.3 | 170.8 | 0 | 0 | 0 | 112.3 | Y666 I669 F684 K708 I709 S710 L728 M731 | Y666-L706 HydrophobicContact CD2-CD2 4.29Å; Y666-L706 HydrophobicContact CE2-CB 4.13Å; Y666-L706 HydrophobicContact CE2-CD2 3.79Å; Y666-L706 PolarHBondContact OH-O 3.36Å; I669-L706 HydrophobicContact CG2-CD2 4.16Å; F684-L706 HydrophobicContact CB-CD1 4.14Å; F684-L706 HydrophobicContact CB-CG 4.37Å; F684-L706 PolarHBondContact O-N 3.29Å; L706-K708 VanDerWaalsContact C-N 3.34Å; L706-K708 PolarHBondContact O-N 3.11Å; L706-I709 PolarHBondContact O-N 3.18Å; L706-S710 WeakPolarHBondContact O-CB 3.48Å; L706-S710 PolarHBondContact O-N 3.49Å; L706-L728 HydrophobicContact CD2-CD2 3.67Å; L706-M731 HydrophobicContact CD1-CE 4.34Å; L706-M731 HydrophobicContact CD2-CE 3.67Å; L706-M731 HydrophobicContact CD2-SD 3.95Å; L706-M731 HydrophobicContact CG-CE 3.76Å; L706-M731 HydrophobicContact CG-SD 3.74Å |
| 707 | Q | 94.5 | Very high | 91.7 | Very high | 121 Ų | 121 | 76 Ų | 76 | 57% | 0.565 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -60 | -43.4 | 175.3 | -174.6 | 171.8 | 9.3 | 0 | 0 | 111.8 | V685 D705 H711 | V685-Q707 VanDerWaalsContact O-CB 3.26Å; V685-Q707 WeakPolarHBondContact O-CB 3.38Å; V685-Q707 PolarHBondContact O-N 2.96Å; D705-Q707 VanDerWaalsContact C-N 3.27Å; D705-Q707 PolarHBondContact O-N 2.74Å; Q707-H711 PolarHBondContact O-N 2.93Å |
| 708 | K | 94.8 | Very high | 91.6 | Very high | 87 Ų | 87 | 73.9 Ų | 73.9 | 38% | 0.378 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -70.8 | -36.4 | 176.1 | -180 | 172.4 | 166.4 | -173 | 0 | 112.8 | P703 I704 D705 L706 H711 R712 | P703-K708 PolarHBondContact O-NZ 2.78Å; I704-K708 HydrophobicContact CG1-CD 4.18Å; I704-K708 HydrophobicContact CG1-CG 4.43Å; D705-K708 PolarHBondContact O-N 2.83Å; D705-K708 WeakPolarHBondContact OD1-CB 3.31Å; D705-K708 PolarHBondContact OD1-N 3.5Å; L706-K708 VanDerWaalsContact C-N 3.34Å; L706-K708 PolarHBondContact O-N 3.11Å; K708-H711 PolarHBondContact O-N 3.48Å; K708-R712 WeakPolarHBondContact O-CG 3.08Å; K708-R712 PolarHBondContact O-N 3.22Å |
| 709 | I | 95.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.5 | -41.9 | 173.6 | -66.2 | 173.4 | 0 | 0 | 0 | 110.6 | Y666 I704 D705 L706 H711 R712 L713 Y718 L724 D727 L728 M731 | Y666-I709 HydrophobicContact CD2-CG2 3.77Å; Y666-I709 HydrophobicContact CE2-CB 4.34Å; Y666-I709 HydrophobicContact CE2-CG2 4.05Å; I704-I709 HydrophobicContact CD1-CD1 3.98Å; I704-I709 HydrophobicContact CD1-CG1 3.65Å; I704-I709 HydrophobicContact CG1-CD1 4.08Å; I704-I709 HydrophobicContact CG1-CG1 3.85Å; D705-I709 WeakPolarHBondContact O-CG1 2.93Å; D705-I709 PolarHBondContact O-N 3.43Å; D705-I709 VanDerWaalsContact O-N 3.09Å; L706-I709 PolarHBondContact O-N 3.18Å; I709-H711 VanDerWaalsContact C-N 3.34Å; I709-H711 PolarHBondContact O-N 3.02Å; I709-R712 WeakPolarHBondContact O-CB 3.38Å; I709-R712 PolarHBondContact O-N 3.35Å; I709-R712 VanDerWaalsContact O-N 3.15Å; I709-L713 HydrophobicContact CG2-CD1 4.27Å; I709-L713 PolarHBondContact O-N 3.13Å; I709-Y718 HydrophobicContact CG2-CE2 4.37Å; I709-L724 HydrophobicContact CG2-CD1 3.49Å; I709-L724 VanDerWaalsContact CG2-CD1 3.49Å; I709-D727 HydrophobicContact CD1-CB 4.14Å; I709-D727 HydrophobicContact CG1-CB 4.24Å; I709-L728 HydrophobicContact CD1-CD2 3.67Å; I709-L728 HydrophobicContact CD1-CG 4.11Å; I709-L728 HydrophobicContact CG2-CD2 4.37Å; I709-M731 HydrophobicContact CD1-SD 4.27Å |
| 710 | S | 94.7 | Very high | 91.1 | Very high | 19 Ų | 19 | 70.3 Ų | 70.3 | 13% | 0.133 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.9 | -40.2 | 174.3 | -162.7 | 0 | 0 | 0 | 0 | 112.3 | Y666 L706 L713 K714 | Y666-S710 WeakPolarHBondContact OH-CB 3.21Å; L706-S710 WeakPolarHBondContact O-CB 3.48Å; L706-S710 PolarHBondContact O-N 3.49Å; S710-L713 PolarHBondContact O-N 2.88Å; S710-K714 WeakPolarHBondContact O-CG 3.01Å; S710-K714 PolarHBondContact O-N 2.8Å |
| 711 | H | 92.9 | Very high | 90.9 | Very high | 135 Ų | 135 | 71.3 Ų | 71.3 | 63% | 0.625 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -64.8 | -39.3 | 173.7 | -176.3 | 65.3 | 0 | 0 | 0 | 112.1 | Q707 K708 I709 K714 A715 | Q707-H711 PolarHBondContact O-N 2.93Å; K708-H711 PolarHBondContact O-N 3.48Å; I709-H711 VanDerWaalsContact C-N 3.34Å; I709-H711 PolarHBondContact O-N 3.02Å; H711-K714 PolarHBondContact O-N 3.05Å; H711-A715 WeakPolarHBondContact O-CB 3.4Å; H711-A715 PolarHBondContact O-N 3.25Å; H711-A715 VanDerWaalsContact O-N 3.1Å |
| 712 | R | 94.6 | Very high | 90.8 | Very high | 57 Ų | 57 | 63.6 Ų | 63.6 | 22% | 0.215 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64 | -40.2 | 173.6 | -79.8 | 178.3 | 157.7 | -178.6 | -13.5 | 112.9 | K708 I709 A715 S716 Y717 Y718 D727 | K708-R712 WeakPolarHBondContact O-CG 3.08Å; K708-R712 PolarHBondContact O-N 3.22Å; I709-R712 WeakPolarHBondContact O-CB 3.38Å; I709-R712 PolarHBondContact O-N 3.35Å; I709-R712 VanDerWaalsContact O-N 3.15Å; R712-A715 CarbonylContact O-C 3.54Å; R712-A715 PolarHBondContact O-N 2.96Å; R712-S716 PolarHBondContact O-N 3.36Å; R712-Y717 HydrophobicContact CB-CD1 4.09Å; R712-Y717 HydrophobicContact CB-CG 4.24Å; R712-Y717 HydrophobicContact CG-CD1 3.75Å; R712-Y717 HydrophobicContact CG-CE1 4.41Å; R712-Y717 HydrophobicContact CG-CG 3.97Å; R712-Y717 VanDerWaalsContact CZ-CE1 3.42Å; R712-Y717 VanDerWaalsContact NE-CE1 3.32Å; R712-Y717 PolarHBondContact NH2-OH 3.2Å; R712-Y717 VanDerWaalsContact O-CB 3.25Å; R712-Y717 WeakPolarHBondContact O-CB 3.02Å; R712-Y717 PolarHBondContact O-N 3.16Å; R712-Y718 HydrophobicContact CB-CD2 4.31Å; R712-Y718 HydrophobicContact CB-CE2 3.45Å; R712-Y718 VanDerWaalsContact CB-CE2 3.45Å; R712-Y718 WeakPolarHBondContact CB-OH 3.31Å; R712-Y718 VanDerWaalsContact CD-OH 3.28Å; R712-Y718 WeakPolarHBondContact CD-OH 3.33Å; R712-D727 WeakPolarHBondContact CD-OD2 3.44Å; R712-D727 IonicContact CZ-OD2 2.82Å; R712-D727 IonicContact NE-OD2 3.77Å; R712-D727 VanDerWaalsContact NH1-CG 3.27Å; R712-D727 IonicContact NH1-OD1 3.69Å; R712-D727 PolarHBondContact NH1-OD1 3.01Å; R712-D727 VanDerWaalsContact NH1-OD1 3.11Å; R712-D727 IonicContact NH1-OD2 2.8Å; R712-D727 PolarHBondContact NH1-OD2 2.97Å |
| 713 | L | 91.6 | Very high | 90.7 | Very high | 9 Ų | 9 | 58.3 Ų | 58.3 | 5% | 0.047 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.7 | -47.6 | 172.9 | -76.2 | 162.2 | 0 | 0 | 0 | 111.9 | L662 W663 Y666 I709 S710 A715 S716 Y718 L724 | L662-L713 HydrophobicContact CB-CD2 3.77Å; W663-L713 HydrophobicContact CE3-CD1 4.44Å; W663-L713 HydrophobicContact CH2-CB 4.16Å; W663-L713 HydrophobicContact CZ2-CB 3.67Å; W663-L713 HydrophobicContact CZ3-CD1 4.46Å; Y666-L713 VanDerWaalsContact CB-CD1 3.47Å; Y666-L713 HydrophobicContact CD1-CD1 4.14Å; Y666-L713 HydrophobicContact CD2-CD1 3.59Å; Y666-L713 HydrophobicContact CE2-CD1 4.43Å; Y666-L713 HydrophobicContact CG-CD1 3.43Å; Y666-L713 VanDerWaalsContact CG-CD1 3.43Å; I709-L713 HydrophobicContact CG2-CD1 4.27Å; I709-L713 PolarHBondContact O-N 3.13Å; S710-L713 PolarHBondContact O-N 2.88Å; L713-A715 PolarHBondContact O-N 2.88Å; L713-S716 PolarHBondContact O-N 2.97Å; L713-Y718 HydrophobicContact CD2-CD2 3.84Å; L713-Y718 HydrophobicContact CD2-CE2 4.2Å; L713-Y718 HydrophobicContact CG-CD2 4.04Å; L713-Y718 HydrophobicContact CG-CE2 3.92Å; L713-L724 HydrophobicContact CD1-CD1 4.21Å; L713-L724 HydrophobicContact CD2-CD1 4.33Å; L713-L724 HydrophobicContact CD2-CD2 4.29Å; L713-L724 HydrophobicContact CG-CD1 4.38Å |
| 714 | K | 89.9 | Confident | 90.6 | Very high | 157 Ų | 157 | 57 Ų | 57 | 68% | 0.683 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -63.5 | -19 | 177.2 | -70.4 | -179.4 | -177.8 | -169.9 | 0 | 114 | W663 S710 H711 | W663-K714 HydrophobicContact CH2-CG 3.98Å; W663-K714 HydrophobicContact CZ2-CG 3.69Å; S710-K714 WeakPolarHBondContact O-CG 3.01Å; S710-K714 PolarHBondContact O-N 2.8Å; H711-K714 PolarHBondContact O-N 3.05Å |
| 715 | A | 89 | Confident | 90.3 | Very high | 66 Ų | 66 | 56.9 Ų | 56.9 | 55% | 0.545 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | 11 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | H711 R712 L713 Y717 | H711-A715 WeakPolarHBondContact O-CB 3.4Å; H711-A715 PolarHBondContact O-N 3.25Å; H711-A715 VanDerWaalsContact O-N 3.1Å; R712-A715 CarbonylContact O-C 3.54Å; R712-A715 PolarHBondContact O-N 2.96Å; L713-A715 PolarHBondContact O-N 2.88Å; A715-Y717 PolarHBondContact O-N 3.16Å; A715-Y717 VanDerWaalsContact O-N 3.14Å |
| 716 | S | 86.9 | Confident | 90 | Very high | 84 Ų | 84 | 60.8 Ų | 60.8 | 59% | 0.587 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.9 | 39.2 | -176.2 | -60 | 0 | 0 | 0 | 0 | 113.7 | R712 L713 Y718 | R712-S716 PolarHBondContact O-N 3.36Å; L713-S716 PolarHBondContact O-N 2.97Å; S716-Y718 VanDerWaalsContact C-N 3.29Å; S716-Y718 PolarHBondContact O-N 3.01Å |
| 717 | Y | 87 | Confident | 89.8 | Confident | 141 Ų | 141 | 61.8 Ų | 61.8 | 55% | 0.553 | 32% | 0.319 | S | S | * | . | trans | -73.1 | -17.8 | -174.9 | -178.1 | -99.4 | 0 | 0 | 0 | 114.1 | R712 A715 | R712-Y717 HydrophobicContact CB-CD1 4.09Å; R712-Y717 HydrophobicContact CB-CG 4.24Å; R712-Y717 HydrophobicContact CG-CD1 3.75Å; R712-Y717 HydrophobicContact CG-CE1 4.41Å; R712-Y717 HydrophobicContact CG-CG 3.97Å; R712-Y717 VanDerWaalsContact CZ-CE1 3.42Å; R712-Y717 VanDerWaalsContact NE-CE1 3.32Å; R712-Y717 PolarHBondContact NH2-OH 3.2Å; R712-Y717 VanDerWaalsContact O-CB 3.25Å; R712-Y717 WeakPolarHBondContact O-CB 3.02Å; R712-Y717 PolarHBondContact O-N 3.16Å; A715-Y717 PolarHBondContact O-N 3.16Å; A715-Y717 VanDerWaalsContact O-N 3.14Å | ||
| 718 | Y | 88.3 | Confident | 89.8 | Confident | 15 Ų | 15 | 56 Ų | 56 | 6% | 0.059 | 29% | 0.293 | C | S | . | . | trans | -97.3 | 109 | -174.8 | -62 | -65.4 | 0 | 0 | 0 | 110.8 | I709 R712 L713 S716 G720 A723 L724 D727 | I709-Y718 HydrophobicContact CG2-CE2 4.37Å; R712-Y718 HydrophobicContact CB-CD2 4.31Å; R712-Y718 HydrophobicContact CB-CE2 3.45Å; R712-Y718 VanDerWaalsContact CB-CE2 3.45Å; R712-Y718 WeakPolarHBondContact CB-OH 3.31Å; R712-Y718 VanDerWaalsContact CD-OH 3.28Å; R712-Y718 WeakPolarHBondContact CD-OH 3.33Å; L713-Y718 HydrophobicContact CD2-CD2 3.84Å; L713-Y718 HydrophobicContact CD2-CE2 4.2Å; L713-Y718 HydrophobicContact CG-CD2 4.04Å; L713-Y718 HydrophobicContact CG-CE2 3.92Å; S716-Y718 VanDerWaalsContact C-N 3.29Å; S716-Y718 PolarHBondContact O-N 3.01Å; Y718-G720 PolarHBondContact O-N 2.92Å; Y718-A723 VanDerWaalsContact CD1-C 3.44Å; Y718-A723 HydrophobicContact CD1-CB 3.76Å; Y718-A723 WeakPolarHBondContact CD1-O 3.45Å; Y718-A723 WeakPolarHBondContact CE1-O 3.37Å; Y718-A723 HydrophobicContact CG-CB 4.42Å; Y718-L724 HydrophobicContact CD1-CB 4.39Å; Y718-L724 HydrophobicContact CD2-CB 4.35Å; Y718-L724 HydrophobicContact CD2-CD1 4.28Å; Y718-L724 HydrophobicContact CE2-CD1 3.86Å; Y718-L724 HydrophobicContact CG-CB 4.23Å; Y718-D727 HydrophobicContact CE1-CB 4.14Å; Y718-D727 VanDerWaalsContact CE1-OD2 3.27Å; Y718-D727 WeakPolarHBondContact CE1-OD2 3.4Å; Y718-D727 PolarHBondContact OH-OD2 3.1Å | ||
| 719 | D | 79.5 | Confident | 89.6 | Confident | 132 Ų | 132 | 52.1 Ų | 52.1 | 71% | 0.706 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -58.5 | -7.9 | 176 | -92.3 | -11.8 | 0 | 0 | 0 | 113.8 | R621 | R621-D719 IonicContact CZ-OD2 2.71Å; R621-D719 IonicContact NH1-OD1 3.05Å; R621-D719 IonicContact NH1-OD2 3.79Å; R621-D719 IonicContact NH2-OD2 3.97Å; R621-D719 PolarHBondContact NH2-OD2 3.37Å |
| 720 | G | 82.7 | Confident | 89.4 | Confident | 16 Ų | 16 | 54.5 Ų | 54.5 | 17% | 0.165 | 29% | 0.289 | C | S | . | . | S | Bend | trans | 166.3 | 176.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y718 E722 A723 | Y718-G720 PolarHBondContact O-N 2.92Å; G720-E722 VanDerWaalsContact C-N 3.3Å; G720-E722 PolarHBondContact O-N 2.84Å; G720-E722 VanDerWaalsContact O-N 3.16Å; G720-A723 WeakPolarHBondContact O-CB 3.16Å; G720-A723 PolarHBondContact O-N 2.95Å |
| 721 | L | 86.4 | Confident | 89.4 | Confident | 25 Ų | 25 | 53.9 Ų | 53.9 | 13% | 0.131 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -44.2 | -48.8 | -175.7 | 176.6 | 59.9 | 0 | 0 | 0 | 114 | V665 A723 L724 V725 R760 | V665-L721 HydrophobicContact CG2-CD1 3.76Å; L721-A723 PolarHBondContact O-N 2.85Å; L721-L724 PolarHBondContact O-N 2.74Å; L721-L724 VanDerWaalsContact O-N 3.13Å; L721-V725 HydrophobicContact CD1-CG2 4.06Å; L721-V725 HydrophobicContact CG-CG2 4.24Å; L721-V725 WeakPolarHBondContact O-CG2 3.4Å; L721-V725 PolarHBondContact O-N 2.97Å; L721-R760 HydrophobicContact CD2-CG 4.43Å |
| 722 | E | 85.3 | Confident | 89.4 | Confident | 69 Ų | 69 | 47.4 Ų | 47.4 | 32% | 0.322 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.2 | -32.4 | -178.3 | -67.5 | -61.5 | 120.3 | 0 | 0 | 113.3 | G720 V725 N726 R760 | G720-E722 VanDerWaalsContact C-N 3.3Å; G720-E722 PolarHBondContact O-N 2.84Å; G720-E722 VanDerWaalsContact O-N 3.16Å; E722-V725 PolarHBondContact O-N 3.08Å; E722-N726 WeakPolarHBondContact O-CB 3.37Å; E722-N726 PolarHBondContact O-N 3.49Å; E722-N726 PolarHBondContact O-ND2 2.77Å; E722-R760 VanDerWaalsContact CD-NH2 3.29Å; E722-R760 IonicContact OE1-CZ 2.81Å; E722-R760 IonicContact OE1-NE 3.9Å; E722-R760 PolarHBondContact OE1-NE 2.54Å; E722-R760 IonicContact OE1-NH2 3.56Å; E722-R760 PolarHBondContact OE1-NH2 3.49Å; E722-R760 IonicContact OE2-CZ 2.76Å; E722-R760 IonicContact OE2-NE 2.91Å; E722-R760 IonicContact OE2-NH2 2.7Å; E722-R760 PolarHBondContact OE2-NH2 3.26Å |
| 723 | A | 87 | Confident | 89.1 | Confident | 39 Ų | 39 | 47 Ų | 47 | 32% | 0.322 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -70.9 | -34 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | Y718 G720 L721 D727 | Y718-A723 VanDerWaalsContact CD1-C 3.44Å; Y718-A723 HydrophobicContact CD1-CB 3.76Å; Y718-A723 WeakPolarHBondContact CD1-O 3.45Å; Y718-A723 WeakPolarHBondContact CE1-O 3.37Å; Y718-A723 HydrophobicContact CG-CB 4.42Å; G720-A723 WeakPolarHBondContact O-CB 3.16Å; G720-A723 PolarHBondContact O-N 2.95Å; L721-A723 PolarHBondContact O-N 2.85Å; A723-D727 PolarHBondContact O-N 3.37Å |
| 724 | L | 92.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -71.8 | -45.5 | 172.5 | 174.3 | 65.8 | 0 | 0 | 0 | 111.4 | L662 V665 I709 L713 Y718 L721 N726 D727 L728 | L662-L724 HydrophobicContact CB-CD2 4.33Å; L662-L724 HydrophobicContact CD2-CB 3.74Å; L662-L724 HydrophobicContact CD2-CD2 3.78Å; L662-L724 HydrophobicContact CD2-CG 4.41Å; L662-L724 WeakPolarHBondContact O-CD2 3.41Å; V665-L724 HydrophobicContact CB-CD2 4.02Å; V665-L724 HydrophobicContact CG1-CD2 4.17Å; I709-L724 HydrophobicContact CG2-CD1 3.49Å; I709-L724 VanDerWaalsContact CG2-CD1 3.49Å; L713-L724 HydrophobicContact CD1-CD1 4.21Å; L713-L724 HydrophobicContact CD2-CD1 4.33Å; L713-L724 HydrophobicContact CD2-CD2 4.29Å; L713-L724 HydrophobicContact CG-CD1 4.38Å; Y718-L724 HydrophobicContact CD1-CB 4.39Å; Y718-L724 HydrophobicContact CD2-CB 4.35Å; Y718-L724 HydrophobicContact CD2-CD1 4.28Å; Y718-L724 HydrophobicContact CE2-CD1 3.86Å; Y718-L724 HydrophobicContact CG-CB 4.23Å; L721-L724 PolarHBondContact O-N 2.74Å; L721-L724 VanDerWaalsContact O-N 3.13Å; L724-N726 PolarHBondContact O-N 3.03Å; L724-D727 PolarHBondContact O-N 2.76Å; L724-D727 VanDerWaalsContact O-N 3.17Å; L724-L728 HydrophobicContact CD1-CD1 3.92Å; L724-L728 HydrophobicContact CD1-CG 4.19Å; L724-L728 HydrophobicContact CD2-CD1 4.41Å; L724-L728 HydrophobicContact CG-CD1 3.81Å; L724-L728 HydrophobicContact CG-CG 4.47Å; L724-L728 PolarHBondContact O-N 3.34Å |
| 725 | V | 90.2 | Very high | 89.2 | Confident | 4 Ų | 4 | 40.1 Ų | 40.1 | 2% | 0.024 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56 | -39.8 | 177 | 168.7 | 0 | 0 | 0 | 0 | 111.4 | L721 E722 S729 L756 F757 R760 | L721-V725 HydrophobicContact CD1-CG2 4.06Å; L721-V725 HydrophobicContact CG-CG2 4.24Å; L721-V725 WeakPolarHBondContact O-CG2 3.4Å; L721-V725 PolarHBondContact O-N 2.97Å; E722-V725 PolarHBondContact O-N 3.08Å; V725-S729 WeakPolarHBondContact O-CB 3.44Å; V725-S729 PolarHBondContact O-N 3.4Å; V725-S729 PolarHBondContact O-OG 3.32Å; V725-L756 HydrophobicContact CG1-CD2 4.28Å; V725-L756 HydrophobicContact CG2-CD1 4.2Å; V725-F757 HydrophobicContact CG1-CE1 3.98Å; V725-R760 HydrophobicContact CG2-CB 4.27Å; V725-R760 HydrophobicContact CG2-CG 4.02Å |
| 726 | N | 88.9 | Confident | 89.2 | Confident | 99 Ų | 99 | 37.3 Ų | 37.3 | 53% | 0.529 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -65 | -42.5 | 177.4 | -86.2 | -73.7 | 0 | 0 | 0 | 113.1 | E722 L724 L730 | E722-N726 WeakPolarHBondContact O-CB 3.37Å; E722-N726 PolarHBondContact O-N 3.49Å; E722-N726 PolarHBondContact O-ND2 2.77Å; L724-N726 PolarHBondContact O-N 3.03Å; N726-L730 VanDerWaalsContact O-CB 3.31Å; N726-L730 WeakPolarHBondContact O-CB 3.39Å; N726-L730 PolarHBondContact O-N 3.24Å |
| 727 | D | 93 | Very high | 89.2 | Confident | 22 Ų | 22 | 39 Ų | 39 | 12% | 0.118 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69.4 | -39.6 | 177.9 | -102.3 | 0.4 | 0 | 0 | 0 | 112 | I704 I709 R712 Y718 A723 L724 L730 M731 | I704-D727 HydrophobicContact CD1-CB 3.74Å; I704-D727 WeakPolarHBondContact CD1-OD1 3.47Å; I704-D727 WeakPolarHBondContact CD1-OD2 3.43Å; I709-D727 HydrophobicContact CD1-CB 4.14Å; I709-D727 HydrophobicContact CG1-CB 4.24Å; R712-D727 WeakPolarHBondContact CD-OD2 3.44Å; R712-D727 IonicContact CZ-OD2 2.82Å; R712-D727 IonicContact NE-OD2 3.77Å; R712-D727 VanDerWaalsContact NH1-CG 3.27Å; R712-D727 IonicContact NH1-OD1 3.69Å; R712-D727 PolarHBondContact NH1-OD1 3.01Å; R712-D727 VanDerWaalsContact NH1-OD1 3.11Å; R712-D727 IonicContact NH1-OD2 2.8Å; R712-D727 PolarHBondContact NH1-OD2 2.97Å; Y718-D727 HydrophobicContact CE1-CB 4.14Å; Y718-D727 VanDerWaalsContact CE1-OD2 3.27Å; Y718-D727 WeakPolarHBondContact CE1-OD2 3.4Å; Y718-D727 PolarHBondContact OH-OD2 3.1Å; A723-D727 PolarHBondContact O-N 3.37Å; L724-D727 PolarHBondContact O-N 2.76Å; L724-D727 VanDerWaalsContact O-N 3.17Å; D727-L730 PolarHBondContact O-N 3Å; D727-M731 PolarHBondContact O-N 3.22Å; D727-M731 VanDerWaalsContact O-N 3.1Å |
| 728 | L | 94.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67 | -44.3 | 174.3 | -70.5 | 168.3 | 0 | 0 | 0 | 111.4 | V665 I669 L706 I709 L724 L730 M731 F732 L756 | V665-L728 HydrophobicContact CG1-CD1 3.93Å; I669-L728 HydrophobicContact CG1-CD1 4.38Å; I669-L728 HydrophobicContact CG2-CD2 4.31Å; L706-L728 HydrophobicContact CD2-CD2 3.67Å; I709-L728 HydrophobicContact CD1-CD2 3.67Å; I709-L728 HydrophobicContact CD1-CG 4.11Å; I709-L728 HydrophobicContact CG2-CD2 4.37Å; L724-L728 HydrophobicContact CD1-CD1 3.92Å; L724-L728 HydrophobicContact CD1-CG 4.19Å; L724-L728 HydrophobicContact CD2-CD1 4.41Å; L724-L728 HydrophobicContact CG-CD1 3.81Å; L724-L728 HydrophobicContact CG-CG 4.47Å; L724-L728 PolarHBondContact O-N 3.34Å; L728-L730 VanDerWaalsContact C-N 3.3Å; L728-L730 PolarHBondContact O-N 3.06Å; L728-M731 HydrophobicContact CD2-CE 4.36Å; L728-M731 VanDerWaalsContact O-CB 3.26Å; L728-M731 WeakPolarHBondContact O-CB 3.42Å; L728-M731 PolarHBondContact O-N 2.88Å; L728-F732 HydrophobicContact CB-CE2 4.24Å; L728-F732 WeakPolarHBondContact O-CD2 3.5Å; L728-F732 WeakPolarHBondContact O-CG 3.41Å; L728-F732 PolarHBondContact O-N 2.72Å; L728-F732 VanDerWaalsContact O-N 3.11Å; L728-L756 HydrophobicContact CB-CD1 4.18Å; L728-L756 HydrophobicContact CB-CD2 3.75Å; L728-L756 HydrophobicContact CD1-CD1 3.69Å |
| 729 | S | 90.7 | Very high | 89.5 | Confident | 5 Ų | 5 | 36.8 Ų | 36.8 | 4% | 0.035 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.1 | -36.7 | 175.1 | -60.6 | 0 | 0 | 0 | 0 | 112.1 | V725 M731 F732 N733 L756 | V725-S729 WeakPolarHBondContact O-CB 3.44Å; V725-S729 PolarHBondContact O-N 3.4Å; V725-S729 PolarHBondContact O-OG 3.32Å; S729-M731 VanDerWaalsContact C-N 3.33Å; S729-F732 PolarHBondContact O-N 3.17Å; S729-N733 WeakPolarHBondContact O-CB 3.17Å; S729-N733 PolarHBondContact O-N 3.04Å; S729-N733 PolarHBondContact O-ND2 3.35Å; S729-L756 WeakPolarHBondContact OG-CD2 3.29Å |
| 730 | L | 91.5 | Very high | 89.7 | Confident | 50 Ų | 50 | 35.4 Ų | 35.4 | 26% | 0.262 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.9 | -39.6 | 172.8 | 173.4 | 62.7 | 0 | 0 | 0 | 111.4 | K702 I704 N726 D727 L728 N734 | K702-L730 HydrophobicContact CB-CD1 4.3Å; K702-L730 HydrophobicContact CB-CD2 4.08Å; K702-L730 HydrophobicContact CD-CD2 4.4Å; I704-L730 HydrophobicContact CG2-CB 4.43Å; I704-L730 HydrophobicContact CG2-CD2 4.08Å; I704-L730 HydrophobicContact CG2-CG 3.96Å; N726-L730 VanDerWaalsContact O-CB 3.31Å; N726-L730 WeakPolarHBondContact O-CB 3.39Å; N726-L730 PolarHBondContact O-N 3.24Å; D727-L730 PolarHBondContact O-N 3Å; L728-L730 VanDerWaalsContact C-N 3.3Å; L728-L730 PolarHBondContact O-N 3.06Å; L730-N734 VanDerWaalsContact O-CB 3.3Å; L730-N734 WeakPolarHBondContact O-CB 3.18Å; L730-N734 PolarHBondContact O-N 2.71Å; L730-N734 PolarHBondContact O-ND2 2.87Å |
| 731 | M | 94.7 | Very high | 89.6 | Confident | 6 Ų | 6 | 37.6 Ų | 37.6 | 3% | 0.03 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.1 | -46.8 | 177.2 | -162.8 | -178.1 | 68.1 | 0 | 0 | 112 | F684 I704 L706 I709 D727 L728 S729 N734 A735 | F684-M731 HydrophobicContact CB-CE 3.68Å; F684-M731 HydrophobicContact CB-SD 3.93Å; F684-M731 HydrophobicContact CD1-CE 3.94Å; F684-M731 HydrophobicContact CD1-CG 4.24Å; F684-M731 HydrophobicContact CD1-SD 4.48Å; F684-M731 HydrophobicContact CG-CE 4.08Å; I704-M731 HydrophobicContact CG2-CB 3.9Å; I704-M731 HydrophobicContact CG2-CG 4.29Å; L706-M731 HydrophobicContact CD1-CE 4.34Å; L706-M731 HydrophobicContact CD2-CE 3.67Å; L706-M731 HydrophobicContact CD2-SD 3.95Å; L706-M731 HydrophobicContact CG-CE 3.76Å; L706-M731 HydrophobicContact CG-SD 3.74Å; I709-M731 HydrophobicContact CD1-SD 4.27Å; D727-M731 PolarHBondContact O-N 3.22Å; D727-M731 VanDerWaalsContact O-N 3.1Å; L728-M731 HydrophobicContact CD2-CE 4.36Å; L728-M731 VanDerWaalsContact O-CB 3.26Å; L728-M731 WeakPolarHBondContact O-CB 3.42Å; L728-M731 PolarHBondContact O-N 2.88Å; S729-M731 VanDerWaalsContact C-N 3.33Å; M731-N734 PolarHBondContact O-N 3.04Å; M731-A735 PolarHBondContact O-N 3.17Å; M731-A735 VanDerWaalsContact O-N 3.16Å |
| 732 | F | 93.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.6 | -43.3 | 177.8 | -53 | -43.8 | 0 | 0 | 0 | 112.4 | I669 F684 L728 S729 N734 A735 C736 A749 L752 Q753 L756 | I669-F732 HydrophobicContact CD1-CE2 4.41Å; I669-F732 HydrophobicContact CD1-CZ 4.15Å; I669-F732 HydrophobicContact CG2-CE1 4.47Å; I669-F732 HydrophobicContact CG2-CZ 3.82Å; F684-F732 HydrophobicContact CD1-CD1 4.22Å; F684-F732 HydrophobicContact CD1-CE1 4.41Å; F684-F732 HydrophobicContact CE1-CD1 4Å; L728-F732 HydrophobicContact CB-CE2 4.24Å; L728-F732 WeakPolarHBondContact O-CD2 3.5Å; L728-F732 WeakPolarHBondContact O-CG 3.41Å; L728-F732 PolarHBondContact O-N 2.72Å; L728-F732 VanDerWaalsContact O-N 3.11Å; S729-F732 PolarHBondContact O-N 3.17Å; F732-N734 VanDerWaalsContact C-N 3.3Å; F732-N734 PolarHBondContact O-N 3.03Å; F732-A735 WeakPolarHBondContact O-CB 3.46Å; F732-A735 PolarHBondContact O-N 3.41Å; F732-A735 VanDerWaalsContact O-N 3.1Å; F732-C736 PolarHBondContact O-N 3.44Å; F732-A749 HydrophobicContact CB-CB 4.2Å; F732-A749 HydrophobicContact CD1-CB 4.43Å; F732-L752 HydrophobicContact CD1-CB 4.06Å; F732-L752 HydrophobicContact CD1-CD1 4.48Å; F732-L752 HydrophobicContact CE1-CB 3.42Å; F732-L752 VanDerWaalsContact CE1-CB 3.42Å; F732-L752 HydrophobicContact CE1-CD1 3.67Å; F732-L752 HydrophobicContact CE1-CG 4.19Å; F732-L752 HydrophobicContact CE2-CB 4.15Å; F732-L752 HydrophobicContact CZ-CB 3.48Å; F732-L752 VanDerWaalsContact CZ-CB 3.48Å; F732-L752 HydrophobicContact CZ-CD1 4.3Å; F732-L752 HydrophobicContact CZ-CG 4.47Å; F732-Q753 HydrophobicContact CB-CB 4.2Å; F732-Q753 HydrophobicContact CD2-CB 3.66Å; F732-Q753 HydrophobicContact CD2-CG 4.02Å; F732-Q753 HydrophobicContact CE2-CB 4.38Å; F732-Q753 HydrophobicContact CG-CB 4.14Å; F732-L756 HydrophobicContact CD2-CD2 4.32Å; F732-L756 HydrophobicContact CE2-CB 4.2Å; F732-L756 HydrophobicContact CE2-CD2 3.95Å |
| 733 | N | 88.4 | Confident | 89.7 | Confident | 47 Ų | 47 | 40.5 Ų | 40.5 | 25% | 0.251 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.9 | -34.6 | 174.9 | -82.7 | -80.2 | 0 | 0 | 0 | 112.6 | S729 A735 K737 T1178 | S729-N733 WeakPolarHBondContact O-CB 3.17Å; S729-N733 PolarHBondContact O-N 3.04Å; S729-N733 PolarHBondContact O-ND2 3.35Å; N733-A735 VanDerWaalsContact C-N 3.34Å; N733-K737 VanDerWaalsContact O-CB 3.25Å; N733-K737 WeakPolarHBondContact O-CB 3.02Å; N733-K737 PolarHBondContact O-N 3.17Å; N733-T1178 PolarHBondContact ND2-O 3.31Å; N733-T1178 VanDerWaalsContact OD1-CB 3.3Å; N733-T1178 WeakPolarHBondContact OD1-CB 3.5Å; N733-T1178 PolarHBondContact OD1-O 2.92Å; N733-T1178 PolarHBondContact OD1-OG1 3.25Å |
| 734 | N | 91.7 | Very high | 89.9 | Confident | 14 Ų | 14 | 43.9 Ų | 43.9 | 8% | 0.075 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.9 | -40.2 | 172.7 | -74.8 | -22.9 | 0 | 0 | 0 | 111.6 | I700 K702 L730 M731 F732 Y738 | I700-N734 HydrophobicContact CD1-CB 4.23Å; I700-N734 WeakPolarHBondContact CD1-O 3.48Å; I700-N734 HydrophobicContact CG2-CB 3.87Å; I700-N734 WeakPolarHBondContact CG2-OD1 3.36Å; K702-N734 PolarHBondContact O-ND2 2.71Å; L730-N734 VanDerWaalsContact O-CB 3.3Å; L730-N734 WeakPolarHBondContact O-CB 3.18Å; L730-N734 PolarHBondContact O-N 2.71Å; L730-N734 PolarHBondContact O-ND2 2.87Å; M731-N734 PolarHBondContact O-N 3.04Å; F732-N734 VanDerWaalsContact C-N 3.3Å; F732-N734 PolarHBondContact O-N 3.03Å; N734-Y738 PolarHBondContact O-N 2.99Å |
| 735 | A | 92.3 | Very high | 89.9 | Confident | 8 Ų | 8 | 46.3 Ų | 46.3 | 7% | 0.066 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.2 | -47.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F684 M731 F732 N733 K737 Y738 N739 I745 A749 | F684-A735 HydrophobicContact CD1-CB 4.46Å; F684-A735 HydrophobicContact CE1-CB 3.58Å; F684-A735 HydrophobicContact CZ-CB 4.28Å; M731-A735 PolarHBondContact O-N 3.17Å; M731-A735 VanDerWaalsContact O-N 3.16Å; F732-A735 WeakPolarHBondContact O-CB 3.46Å; F732-A735 PolarHBondContact O-N 3.41Å; F732-A735 VanDerWaalsContact O-N 3.1Å; N733-A735 VanDerWaalsContact C-N 3.34Å; A735-K737 VanDerWaalsContact C-N 3.32Å; A735-K737 PolarHBondContact O-N 3.31Å; A735-Y738 PolarHBondContact O-N 3.08Å; A735-N739 WeakPolarHBondContact O-CB 3.45Å; A735-N739 PolarHBondContact O-N 2.81Å; A735-N739 PolarHBondContact O-ND2 3.27Å; A735-I745 HydrophobicContact CB-CG2 4.25Å; A735-A749 HydrophobicContact CB-CB 3.91Å |
| 736 | C | 88.8 | Confident | 89.9 | Confident | 8 Ų | 8 | 46.5 Ų | 46.5 | 5% | 0.054 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.3 | -30.5 | 177.4 | -69.2 | 0 | 0 | 0 | 0 | 113.3 | F732 Y738 Y746 A749 T1178 | F732-C736 PolarHBondContact O-N 3.44Å; C736-Y738 VanDerWaalsContact C-N 3.32Å; C736-Y738 PolarHBondContact O-N 3.13Å; C736-Y746 HydrophobicContact CB-CD2 3.69Å; C736-Y746 HydrophobicContact CB-CE2 3.58Å; C736-Y746 HydrophobicContact CB-CG 4.48Å; C736-A749 VanDerWaalsContact SG-CB 3.56Å; C736-T1178 HydrophobicContact CB-CG2 3.82Å; C736-T1178 WeakPolarHBondContact SG-CG2 3.44Å |
| 737 | K | 86.9 | Confident | 89.9 | Confident | 119 Ų | 119 | 44.4 Ų | 44.4 | 52% | 0.517 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -73 | -20.6 | 174.2 | -172.8 | 169.5 | -175.1 | 88.3 | 0 | 113.8 | V699 I700 N733 A735 E1244 | V699-K737 HydrophobicContact CG1-CG 4.38Å; I700-K737 HydrophobicContact CD1-CB 4.15Å; I700-K737 HydrophobicContact CD1-CG 4.36Å; N733-K737 VanDerWaalsContact O-CB 3.25Å; N733-K737 WeakPolarHBondContact O-CB 3.02Å; N733-K737 PolarHBondContact O-N 3.17Å; A735-K737 VanDerWaalsContact C-N 3.32Å; A735-K737 PolarHBondContact O-N 3.31Å; K737-E1244 IonicContact NZ-OE1 2.56Å; K737-E1244 PolarHBondContact NZ-OE1 2.72Å |
| 738 | Y | 90.1 | Very high | 90 | Very high | 71 Ų | 71 | 43.5 Ų | 43.5 | 28% | 0.278 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -104 | -34.3 | -177.4 | -172.8 | -98.8 | 0 | 0 | 0 | 114.1 | S695 Y696 V699 N734 A735 C736 | S695-Y738 PolarHBondContact OG-OH 2.62Å; Y696-Y738 VanDerWaalsContact CA-CE2 3.43Å; Y696-Y738 AromaticContact CD2-CD1 3.73Å; Y696-Y738 HydrophobicContact CD2-CD1 3.73Å; Y696-Y738 AromaticContact CD2-CD2 3.87Å; Y696-Y738 HydrophobicContact CD2-CD2 3.87Å; Y696-Y738 HydrophobicContact CD2-CE1 4.1Å; Y696-Y738 HydrophobicContact CD2-CE2 4.24Å; Y696-Y738 AromaticContact CD2-CG 3.6Å; Y696-Y738 HydrophobicContact CD2-CG 3.6Å; Y696-Y738 HydrophobicContact CE2-CD1 4.4Å; Y696-Y738 HydrophobicContact CE2-CG 4.19Å; V699-Y738 HydrophobicContact CB-CD2 4.19Å; V699-Y738 HydrophobicContact CG1-CD2 4.47Å; V699-Y738 HydrophobicContact CG2-CD2 4.39Å; V699-Y738 HydrophobicContact CG2-CE2 4.49Å; N734-Y738 PolarHBondContact O-N 2.99Å; A735-Y738 PolarHBondContact O-N 3.08Å; C736-Y738 VanDerWaalsContact C-N 3.32Å; C736-Y738 PolarHBondContact O-N 3.13Å |
| 739 | N | 90 | Very high | 89.9 | Confident | 39 Ų | 39 | 43.5 Ų | 43.5 | 21% | 0.209 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -99.9 | 152.5 | -175 | -57.1 | -82.5 | 0 | 0 | 0 | 111.2 | A735 S743 I745 | A735-N739 WeakPolarHBondContact O-CB 3.45Å; A735-N739 PolarHBondContact O-N 2.81Å; A735-N739 PolarHBondContact O-ND2 3.27Å; N739-S743 WeakPolarHBondContact CB-OG 3.35Å; N739-I745 HydrophobicContact CB-CB 4.42Å |
| 740 | D | 84.8 | Confident | 89.8 | Confident | 102 Ų | 102 | 43.4 Ų | 43.4 | 55% | 0.545 | 22% | 0.224 | S | C | . | . | trans | -65 | 140.8 | 178.6 | -167.6 | -70.6 | 0 | 0 | 0 | 111.4 | D742 S743 Y746 | D740-D742 PolarHBondContact O-N 2.86Å; D740-D742 VanDerWaalsContact O-N 3.08Å; D740-D742 PolarHBondContact OD1-N 2.7Å; D740-S743 VanDerWaalsContact O-CB 3.22Å; D740-S743 WeakPolarHBondContact O-CB 3.41Å; D740-S743 PolarHBondContact O-N 3.47Å; D740-S743 PolarHBondContact O-OG 3.12Å; D740-Y746 WeakPolarHBondContact O-CB 3.47Å | ||
| 741 | P | 80.3 | Confident | 89.7 | Confident | 63 Ų | 63 | 42.3 Ų | 42.3 | 41% | 0.409 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -28.9 | 176.1 | -30.5 | 37.4 | 0 | 0 | 0 | 115.4 | Y746 K747 | P741-Y746 HydrophobicContact CB-CD1 4.42Å; P741-Y746 HydrophobicContact CB-CD2 4.46Å; P741-Y746 HydrophobicContact CB-CE1 4.2Å; P741-Y746 HydrophobicContact CB-CE2 4.25Å; P741-Y746 HydrophobicContact CG-CD2 4.42Å; P741-Y746 HydrophobicContact CG-CE2 4.05Å; P741-Y746 WeakPolarHBondContact O-CD1 3.41Å; P741-K747 WeakPolarHBondContact O-CE 3.36Å |
| 742 | D | 83.4 | Confident | 89.7 | Confident | 122 Ų | 122 | 42 Ų | 42 | 65% | 0.652 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -11 | 177.1 | -93 | -46.7 | 0 | 0 | 0 | 114.9 | D740 K747 | D740-D742 PolarHBondContact O-N 2.86Å; D740-D742 VanDerWaalsContact O-N 3.08Å; D740-D742 PolarHBondContact OD1-N 2.7Å; D742-K747 WeakPolarHBondContact O-CE 3.49Å; D742-K747 PolarHBondContact O-NZ 3.48Å; D742-K747 IonicContact OD1-NZ 3.11Å; D742-K747 PolarHBondContact OD1-NZ 2.97Å |
| 743 | S | 90.9 | Very high | 89.5 | Confident | 33 Ų | 33 | 42 Ų | 42 | 23% | 0.231 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -69 | 149.2 | 179.3 | 72.8 | 0 | 0 | 0 | 0 | 112.9 | N739 D740 I745 Y746 K747 | N739-S743 WeakPolarHBondContact CB-OG 3.35Å; D740-S743 VanDerWaalsContact O-CB 3.22Å; D740-S743 WeakPolarHBondContact O-CB 3.41Å; D740-S743 PolarHBondContact O-N 3.47Å; D740-S743 PolarHBondContact O-OG 3.12Å; S743-I745 VanDerWaalsContact C-N 3.26Å; S743-I745 PolarHBondContact O-N 2.72Å; S743-Y746 PolarHBondContact O-N 3.12Å; S743-Y746 WeakPolarHBondContact OG-CB 3.43Å; S743-Y746 PolarHBondContact OG-N 2.76Å; S743-Y746 VanDerWaalsContact OG-N 3.16Å; S743-K747 WeakPolarHBondContact O-CG 3.35Å; S743-K747 PolarHBondContact O-N 2.91Å |
| 744 | I | 90.5 | Very high | 89.4 | Confident | 109 Ų | 109 | 42.1 Ų | 42.1 | 56% | 0.559 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -57.6 | -41.5 | 173.4 | -61.9 | 173.2 | 0 | 0 | 0 | 110.2 | Y746 K747 D748 | I744-Y746 VanDerWaalsContact C-N 3.34Å; I744-Y746 PolarHBondContact O-N 2.73Å; I744-K747 PolarHBondContact O-N 3.29Å; I744-D748 WeakPolarHBondContact CG2-OD2 3.23Å; I744-D748 VanDerWaalsContact O-CB 3.29Å; I744-D748 WeakPolarHBondContact O-CB 3.32Å; I744-D748 PolarHBondContact O-N 3.04Å |
| 745 | I | 92.1 | Very high | 89.4 | Confident | 51 Ų | 51 | 43.8 Ų | 43.8 | 26% | 0.262 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.3 | -37.4 | -178.9 | -54.8 | 177.3 | 0 | 0 | 0 | 112 | M683 F684 A735 N739 S743 A749 | M683-I745 HydrophobicContact CB-CG1 4.32Å; M683-I745 HydrophobicContact CG-CD1 4.4Å; M683-I745 HydrophobicContact CG-CG1 4.12Å; M683-I745 HydrophobicContact SD-CD1 4.32Å; F684-I745 HydrophobicContact CZ-CG2 4.19Å; A735-I745 HydrophobicContact CB-CG2 4.25Å; N739-I745 HydrophobicContact CB-CB 4.42Å; S743-I745 VanDerWaalsContact C-N 3.26Å; S743-I745 PolarHBondContact O-N 2.72Å; I745-A749 VanDerWaalsContact O-CB 3.29Å; I745-A749 WeakPolarHBondContact O-CB 3.41Å; I745-A749 PolarHBondContact O-N 2.84Å |
| 746 | Y | 90.8 | Very high | 89.3 | Confident | 8 Ų | 8 | 43.4 Ų | 43.4 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.9 | -46.2 | 173.6 | -176.5 | -73.2 | 0 | 0 | 0 | 111.2 | C736 D740 P741 S743 I744 D748 A749 V750 E1176 P1177 | C736-Y746 HydrophobicContact CB-CD2 3.69Å; C736-Y746 HydrophobicContact CB-CE2 3.58Å; C736-Y746 HydrophobicContact CB-CG 4.48Å; D740-Y746 WeakPolarHBondContact O-CB 3.47Å; P741-Y746 HydrophobicContact CB-CD1 4.42Å; P741-Y746 HydrophobicContact CB-CD2 4.46Å; P741-Y746 HydrophobicContact CB-CE1 4.2Å; P741-Y746 HydrophobicContact CB-CE2 4.25Å; P741-Y746 HydrophobicContact CG-CD2 4.42Å; P741-Y746 HydrophobicContact CG-CE2 4.05Å; P741-Y746 WeakPolarHBondContact O-CD1 3.41Å; S743-Y746 PolarHBondContact O-N 3.12Å; S743-Y746 WeakPolarHBondContact OG-CB 3.43Å; S743-Y746 PolarHBondContact OG-N 2.76Å; S743-Y746 VanDerWaalsContact OG-N 3.16Å; I744-Y746 VanDerWaalsContact C-N 3.34Å; I744-Y746 PolarHBondContact O-N 2.73Å; Y746-D748 VanDerWaalsContact C-N 3.32Å; Y746-D748 PolarHBondContact O-N 3.12Å; Y746-A749 PolarHBondContact O-N 3.2Å; Y746-V750 HydrophobicContact CD1-CG2 3.91Å; Y746-V750 HydrophobicContact CE1-CG2 3.6Å; Y746-V750 WeakPolarHBondContact O-CG2 3.36Å; Y746-V750 PolarHBondContact O-N 2.93Å; Y746-E1176 WeakPolarHBondContact CE2-OE2 3.41Å; Y746-E1176 PolarHBondContact OH-OE2 3.47Å; Y746-P1177 WeakPolarHBondContact OH-CD 3.38Å |
| 747 | K | 90.2 | Very high | 89.2 | Confident | 56 Ų | 56 | 43.7 Ų | 43.7 | 24% | 0.243 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.4 | -39 | 179.5 | -71.3 | 166 | 178 | 165.2 | 0 | 111.7 | P741 D742 S743 I744 T751 F1289 | P741-K747 WeakPolarHBondContact O-CE 3.36Å; D742-K747 WeakPolarHBondContact O-CE 3.49Å; D742-K747 PolarHBondContact O-NZ 3.48Å; D742-K747 IonicContact OD1-NZ 3.11Å; D742-K747 PolarHBondContact OD1-NZ 2.97Å; S743-K747 WeakPolarHBondContact O-CG 3.35Å; S743-K747 PolarHBondContact O-N 2.91Å; I744-K747 PolarHBondContact O-N 3.29Å; K747-T751 WeakPolarHBondContact O-CB 3.44Å; K747-T751 PolarHBondContact O-N 3Å; K747-T751 PolarHBondContact O-OG1 3.33Å; K747-F1289 HydrophobicContact CD-CE1 4.23Å; K747-F1289 HydrophobicContact CG-CE1 4.13Å; K747-F1289 HydrophobicContact CG-CE2 4.38Å; K747-F1289 HydrophobicContact CG-CZ 3.93Å |
| 748 | D | 93.4 | Very high | 89.1 | Confident | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.016 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.9 | -44.9 | 172.9 | -67.5 | -4.1 | 0 | 0 | 0 | 111.5 | R678 Y680 F684 I744 Y746 V750 T751 L752 | R678-D748 IonicContact CZ-OD1 3.84Å; R678-D748 IonicContact CZ-OD2 3.22Å; R678-D748 IonicContact NH1-OD1 2.68Å; R678-D748 PolarHBondContact NH1-OD1 2.81Å; R678-D748 IonicContact NH1-OD2 3.77Å; R678-D748 PolarHBondContact NH1-OD2 3.17Å; R678-D748 IonicContact NH2-OD1 2.87Å; R678-D748 PolarHBondContact NH2-OD1 3.13Å; R678-D748 IonicContact NH2-OD2 2.84Å; Y680-D748 HydrophobicContact CD1-CB 4.29Å; Y680-D748 WeakPolarHBondContact CD1-OD1 3.42Å; F684-D748 HydrophobicContact CE2-CB 3.92Å; F684-D748 HydrophobicContact CZ-CB 4.23Å; I744-D748 WeakPolarHBondContact CG2-OD2 3.23Å; I744-D748 VanDerWaalsContact O-CB 3.29Å; I744-D748 WeakPolarHBondContact O-CB 3.32Å; I744-D748 PolarHBondContact O-N 3.04Å; Y746-D748 VanDerWaalsContact C-N 3.32Å; Y746-D748 PolarHBondContact O-N 3.12Å; D748-V750 PolarHBondContact O-N 2.94Å; D748-T751 PolarHBondContact O-N 2.79Å; D748-L752 WeakPolarHBondContact O-CB 3.5Å; D748-L752 WeakPolarHBondContact O-CG 3.17Å; D748-L752 PolarHBondContact O-N 2.59Å |
| 749 | A | 92.5 | Very high | 89 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.8 | -45.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F684 F732 A735 C736 I745 Y746 T751 Q753 | F684-A749 HydrophobicContact CE1-CB 3.89Å; F684-A749 HydrophobicContact CZ-CB 3.74Å; F732-A749 HydrophobicContact CB-CB 4.2Å; F732-A749 HydrophobicContact CD1-CB 4.43Å; A735-A749 HydrophobicContact CB-CB 3.91Å; C736-A749 VanDerWaalsContact SG-CB 3.56Å; I745-A749 VanDerWaalsContact O-CB 3.29Å; I745-A749 WeakPolarHBondContact O-CB 3.41Å; I745-A749 PolarHBondContact O-N 2.84Å; Y746-A749 PolarHBondContact O-N 3.2Å; A749-T751 VanDerWaalsContact C-N 3.33Å; A749-T751 PolarHBondContact O-N 3.47Å; A749-Q753 VanDerWaalsContact O-CB 3.26Å; A749-Q753 WeakPolarHBondContact O-CB 3.5Å; A749-Q753 PolarHBondContact O-N 2.86Å |
| 750 | V | 88.4 | Confident | 88.8 | Confident | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.018 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.9 | -41.4 | 174.8 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | Y746 D748 Q753 R754 T1178 L1284 | Y746-V750 HydrophobicContact CD1-CG2 3.91Å; Y746-V750 HydrophobicContact CE1-CG2 3.6Å; Y746-V750 WeakPolarHBondContact O-CG2 3.36Å; Y746-V750 PolarHBondContact O-N 2.93Å; D748-V750 PolarHBondContact O-N 2.94Å; V750-Q753 PolarHBondContact O-N 2.74Å; V750-R754 WeakPolarHBondContact O-CG 3.46Å; V750-R754 PolarHBondContact O-N 2.99Å; V750-T1178 HydrophobicContact CG2-CG2 4.05Å; V750-L1284 HydrophobicContact CG1-CD1 3.86Å |
| 751 | T | 90.6 | Very high | 88.5 | Confident | 27 Ų | 27 | 37.2 Ų | 37.2 | 17% | 0.166 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.8 | -46.9 | -179.6 | -58.8 | 0 | 0 | 0 | 0 | 111.9 | Y680 K747 D748 A749 Q753 R754 I755 | Y680-T751 HydrophobicContact CD2-CG2 4.42Å; Y680-T751 HydrophobicContact CE1-CG2 4.22Å; Y680-T751 HydrophobicContact CE2-CG2 3.91Å; K747-T751 WeakPolarHBondContact O-CB 3.44Å; K747-T751 PolarHBondContact O-N 3Å; K747-T751 PolarHBondContact O-OG1 3.33Å; D748-T751 PolarHBondContact O-N 2.79Å; A749-T751 VanDerWaalsContact C-N 3.33Å; A749-T751 PolarHBondContact O-N 3.47Å; T751-Q753 VanDerWaalsContact C-N 3.27Å; T751-Q753 PolarHBondContact O-N 3.46Å; T751-R754 WeakPolarHBondContact O-CB 3.48Å; T751-R754 PolarHBondContact O-N 3.45Å; T751-I755 HydrophobicContact CG2-CD1 4.37Å; T751-I755 WeakPolarHBondContact O-CG1 3.18Å; T751-I755 PolarHBondContact O-N 3.49Å; T751-I755 VanDerWaalsContact O-N 3.08Å |
| 752 | L | 93.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.2 | -33.7 | 173.5 | -71.3 | 175.9 | 0 | 0 | 0 | 112.1 | I669 A672 Y680 F684 F732 D748 I755 L756 | I669-L752 HydrophobicContact CD1-CB 4.43Å; I669-L752 HydrophobicContact CD1-CD2 4.42Å; I669-L752 WeakPolarHBondContact CD1-O 3.27Å; I669-L752 HydrophobicContact CG2-CD2 4.32Å; I669-L752 WeakPolarHBondContact O-CD2 3.44Å; A672-L752 HydrophobicContact CB-CD2 3.71Å; Y680-L752 HydrophobicContact CD2-CD2 4.48Å; F684-L752 HydrophobicContact CD2-CD1 3.91Å; F684-L752 HydrophobicContact CE2-CD1 3.88Å; F684-L752 HydrophobicContact CZ-CD1 4.42Å; F732-L752 HydrophobicContact CD1-CB 4.06Å; F732-L752 HydrophobicContact CD1-CD1 4.48Å; F732-L752 HydrophobicContact CE1-CB 3.42Å; F732-L752 VanDerWaalsContact CE1-CB 3.42Å; F732-L752 HydrophobicContact CE1-CD1 3.67Å; F732-L752 HydrophobicContact CE1-CG 4.19Å; F732-L752 HydrophobicContact CE2-CB 4.15Å; F732-L752 HydrophobicContact CZ-CB 3.48Å; F732-L752 VanDerWaalsContact CZ-CB 3.48Å; F732-L752 HydrophobicContact CZ-CD1 4.3Å; F732-L752 HydrophobicContact CZ-CG 4.47Å; D748-L752 WeakPolarHBondContact O-CB 3.5Å; D748-L752 WeakPolarHBondContact O-CG 3.17Å; D748-L752 PolarHBondContact O-N 2.59Å; L752-I755 PolarHBondContact O-N 3.47Å; L752-L756 WeakPolarHBondContact O-CB 3.38Å; L752-L756 PolarHBondContact O-N 3.05Å |
| 753 | Q | 89.8 | Confident | 88.4 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -71.8 | -32.1 | 175.8 | -165.9 | 174.3 | 4.6 | 0 | 0 | 112.9 | F732 A749 V750 T751 L756 F757 T1178 | F732-Q753 HydrophobicContact CB-CB 4.2Å; F732-Q753 HydrophobicContact CD2-CB 3.66Å; F732-Q753 HydrophobicContact CD2-CG 4.02Å; F732-Q753 HydrophobicContact CE2-CB 4.38Å; F732-Q753 HydrophobicContact CG-CB 4.14Å; A749-Q753 VanDerWaalsContact O-CB 3.26Å; A749-Q753 WeakPolarHBondContact O-CB 3.5Å; A749-Q753 PolarHBondContact O-N 2.86Å; V750-Q753 PolarHBondContact O-N 2.74Å; T751-Q753 VanDerWaalsContact C-N 3.27Å; T751-Q753 PolarHBondContact O-N 3.46Å; Q753-L756 PolarHBondContact O-N 3.46Å; Q753-F757 HydrophobicContact CG-CD2 3.95Å; Q753-F757 HydrophobicContact CG-CE2 3.51Å; Q753-F757 HydrophobicContact CG-CZ 4.4Å; Q753-F757 WeakPolarHBondContact O-CD2 3.36Å; Q753-F757 PolarHBondContact O-N 3.42Å; Q753-F757 VanDerWaalsContact O-N 3.15Å; Q753-T1178 PolarHBondContact NE2-O 2.92Å |
| 754 | R | 86.8 | Confident | 87.4 | Confident | 49 Ų | 49 | 36.7 Ų | 36.7 | 19% | 0.185 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.8 | -48.9 | 167.1 | -70.4 | 168.8 | 178.1 | 178.5 | -1.8 | 111 | V750 T751 L756 F757 T758 L1284 R1287 | V750-R754 WeakPolarHBondContact O-CG 3.46Å; V750-R754 PolarHBondContact O-N 2.99Å; T751-R754 WeakPolarHBondContact O-CB 3.48Å; T751-R754 PolarHBondContact O-N 3.45Å; R754-L756 VanDerWaalsContact C-N 3.3Å; R754-L756 PolarHBondContact O-N 3.18Å; R754-F757 PolarHBondContact O-N 3.27Å; R754-T758 PolarHBondContact O-N 3.47Å; R754-T758 PolarHBondContact O-OG1 2.87Å; R754-L1284 HydrophobicContact CG-CD1 3.87Å; R754-L1284 HydrophobicContact CG-CD2 4.32Å; R754-L1284 HydrophobicContact CG-CG 3.87Å; R754-L1284 PolarHBondContact NE-O 2.98Å; R754-L1284 PolarHBondContact NH2-O 3.17Å; R754-R1287 VanDerWaalsContact CZ-O 3.31Å; R754-R1287 PolarHBondContact NH1-O 3.12Å; R754-R1287 PolarHBondContact NH2-O 3.14Å |
| 755 | I | 90.8 | Very high | 85.8 | Confident | 48 Ų | 48 | 36.1 Ų | 36.1 | 25% | 0.246 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.9 | -42.2 | 178.5 | -64.5 | 167.7 | 0 | 0 | 0 | 110.3 | I669 A672 T751 L752 F757 T758 K759 | I669-I755 HydrophobicContact CD1-CB 4.22Å; I669-I755 HydrophobicContact CD1-CG2 4.03Å; A672-I755 HydrophobicContact CB-CD1 3.71Å; T751-I755 HydrophobicContact CG2-CD1 4.37Å; T751-I755 WeakPolarHBondContact O-CG1 3.18Å; T751-I755 PolarHBondContact O-N 3.49Å; T751-I755 VanDerWaalsContact O-N 3.08Å; L752-I755 PolarHBondContact O-N 3.47Å; I755-F757 PolarHBondContact O-N 3.46Å; I755-T758 PolarHBondContact O-N 3.38Å; I755-K759 WeakPolarHBondContact O-CB 3.38Å; I755-K759 PolarHBondContact O-N 3.44Å |
| 756 | L | 91.2 | Very high | 83.8 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.5 | -48 | 175.7 | 179.8 | 61.6 | 0 | 0 | 0 | 112.1 | V665 I669 V725 L728 S729 F732 L752 Q753 R754 R760 | V665-L756 HydrophobicContact CG1-CD1 3.58Å; I669-L756 HydrophobicContact CD1-CB 3.95Å; I669-L756 HydrophobicContact CG1-CD1 4.48Å; V725-L756 HydrophobicContact CG1-CD2 4.28Å; V725-L756 HydrophobicContact CG2-CD1 4.2Å; L728-L756 HydrophobicContact CB-CD1 4.18Å; L728-L756 HydrophobicContact CB-CD2 3.75Å; L728-L756 HydrophobicContact CD1-CD1 3.69Å; S729-L756 WeakPolarHBondContact OG-CD2 3.29Å; F732-L756 HydrophobicContact CD2-CD2 4.32Å; F732-L756 HydrophobicContact CE2-CB 4.2Å; F732-L756 HydrophobicContact CE2-CD2 3.95Å; L752-L756 WeakPolarHBondContact O-CB 3.38Å; L752-L756 PolarHBondContact O-N 3.05Å; Q753-L756 PolarHBondContact O-N 3.46Å; R754-L756 VanDerWaalsContact C-N 3.3Å; R754-L756 PolarHBondContact O-N 3.18Å; L756-R760 VanDerWaalsContact O-CB 3.22Å; L756-R760 WeakPolarHBondContact O-CB 3.42Å; L756-R760 PolarHBondContact O-N 2.89Å |
| 757 | F | 86.2 | Confident | 81.7 | Confident | 14 Ų | 14 | 45 Ų | 45 | 6% | 0.061 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -75.9 | -29.3 | -177.7 | -70 | -53.3 | 0 | 0 | 0 | 113.6 | V725 Q753 R754 I755 A761 L1180 P1280 L1284 | V725-F757 HydrophobicContact CG1-CE1 3.98Å; Q753-F757 HydrophobicContact CG-CD2 3.95Å; Q753-F757 HydrophobicContact CG-CE2 3.51Å; Q753-F757 HydrophobicContact CG-CZ 4.4Å; Q753-F757 WeakPolarHBondContact O-CD2 3.36Å; Q753-F757 PolarHBondContact O-N 3.42Å; Q753-F757 VanDerWaalsContact O-N 3.15Å; R754-F757 PolarHBondContact O-N 3.27Å; I755-F757 PolarHBondContact O-N 3.46Å; F757-A761 WeakPolarHBondContact O-CB 3.46Å; F757-A761 PolarHBondContact O-N 2.92Å; F757-L1180 HydrophobicContact CE1-CD2 4.03Å; F757-L1180 HydrophobicContact CE2-CD2 3.75Å; F757-L1180 HydrophobicContact CZ-CD1 4.03Å; F757-L1180 HydrophobicContact CZ-CD2 3.34Å; F757-L1180 HydrophobicContact CZ-CG 4.19Å; F757-P1280 HydrophobicContact CB-CG 3.97Å; F757-P1280 HydrophobicContact CD1-CG 4.21Å; F757-P1280 HydrophobicContact CD2-CB 4.04Å; F757-P1280 HydrophobicContact CD2-CG 3.56Å; F757-P1280 HydrophobicContact CE2-CB 4.32Å; F757-P1280 HydrophobicContact CE2-CG 4.08Å; F757-P1280 HydrophobicContact CG-CG 3.64Å; F757-L1284 HydrophobicContact CD2-CD2 3.91Å; F757-L1284 HydrophobicContact CE2-CD2 4.41Å |
| 758 | T | 85.8 | Confident | 79.5 | Confident | 59 Ų | 59 | 47 Ų | 47 | 36% | 0.362 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.8 | -53.1 | 171.2 | -45.7 | 0 | 0 | 0 | 0 | 109.7 | R754 I755 R760 A761 E762 | R754-T758 PolarHBondContact O-N 3.47Å; R754-T758 PolarHBondContact O-OG1 2.87Å; I755-T758 PolarHBondContact O-N 3.38Å; T758-R760 VanDerWaalsContact C-N 3.34Å; T758-R760 PolarHBondContact O-N 2.69Å; T758-A761 WeakPolarHBondContact O-CB 3.35Å; T758-A761 PolarHBondContact O-N 3.47Å; T758-E762 WeakPolarHBondContact CG2-OE1 3.42Å; T758-E762 WeakPolarHBondContact O-CG 3.37Å; T758-E762 PolarHBondContact O-N 2.74Å |
| 759 | K | 86.9 | Confident | 77.2 | Confident | 45 Ų | 45 | 50.6 Ų | 50.6 | 20% | 0.196 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.8 | -34.1 | 175.9 | -84.8 | -77.5 | 166 | -162 | 0 | 114 | E664 A668 I755 A761 E762 L763 | E664-K759 IonicContact OE1-NZ 2.8Å; E664-K759 PolarHBondContact OE1-NZ 2.79Å; A668-K759 HydrophobicContact CB-CD 4.23Å; A668-K759 HydrophobicContact CB-CG 3.98Å; I755-K759 WeakPolarHBondContact O-CB 3.38Å; I755-K759 PolarHBondContact O-N 3.44Å; K759-A761 VanDerWaalsContact C-N 3.33Å; K759-E762 VanDerWaalsContact CD-OE2 3.31Å; K759-E762 WeakPolarHBondContact CD-OE2 3.43Å; K759-E762 WeakPolarHBondContact CE-OE2 3.44Å; K759-E762 IonicContact NZ-OE2 2.68Å; K759-E762 PolarHBondContact NZ-OE2 3.15Å; K759-L763 WeakPolarHBondContact O-CB 3.36Å; K759-L763 WeakPolarHBondContact O-CG 3.19Å; K759-L763 PolarHBondContact O-N 2.88Å; K759-L763 VanDerWaalsContact O-N 3.16Å |
| 760 | R | 86.2 | Confident | 75.4 | Confident | 24 Ų | 24 | 54.4 Ų | 54.4 | 9% | 0.091 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.2 | -39.9 | 171 | -179.6 | -165.7 | -176.8 | -148.8 | 1.5 | 111.4 | L721 E722 V725 L756 T758 R764 K1278 | L721-R760 HydrophobicContact CD2-CG 4.43Å; E722-R760 VanDerWaalsContact CD-NH2 3.29Å; E722-R760 IonicContact OE1-CZ 2.81Å; E722-R760 IonicContact OE1-NE 3.9Å; E722-R760 PolarHBondContact OE1-NE 2.54Å; E722-R760 IonicContact OE1-NH2 3.56Å; E722-R760 PolarHBondContact OE1-NH2 3.49Å; E722-R760 IonicContact OE2-CZ 2.76Å; E722-R760 IonicContact OE2-NE 2.91Å; E722-R760 IonicContact OE2-NH2 2.7Å; E722-R760 PolarHBondContact OE2-NH2 3.26Å; V725-R760 HydrophobicContact CG2-CB 4.27Å; V725-R760 HydrophobicContact CG2-CG 4.02Å; L756-R760 VanDerWaalsContact O-CB 3.22Å; L756-R760 WeakPolarHBondContact O-CB 3.42Å; L756-R760 PolarHBondContact O-N 2.89Å; T758-R760 VanDerWaalsContact C-N 3.34Å; T758-R760 PolarHBondContact O-N 2.69Å; R760-R764 WeakPolarHBondContact O-CB 3.49Å; R760-K1278 PolarHBondContact NH1-O 3.26Å |
| 761 | A | 78.3 | Confident | 74 | Confident | 68 Ų | 68 | 60.1 Ų | 60.1 | 56% | 0.562 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -71.2 | -45.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F757 T758 K759 L763 R764 | F757-A761 WeakPolarHBondContact O-CB 3.46Å; F757-A761 PolarHBondContact O-N 2.92Å; T758-A761 WeakPolarHBondContact O-CB 3.35Å; T758-A761 PolarHBondContact O-N 3.47Å; K759-A761 VanDerWaalsContact C-N 3.33Å; A761-L763 VanDerWaalsContact C-N 3.34Å; A761-L763 PolarHBondContact O-N 2.62Å; A761-R764 WeakPolarHBondContact O-CB 3.2Å; A761-R764 PolarHBondContact O-N 3.32Å |
| 762 | E | 81.6 | Confident | 72.9 | Confident | 99 Ų | 99 | 60.3 Ų | 60.3 | 46% | 0.463 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -54.4 | -45.8 | 176.3 | -70 | 167 | -141.8 | 0 | 0 | 112.6 | T758 K759 R764 | T758-E762 WeakPolarHBondContact CG2-OE1 3.42Å; T758-E762 WeakPolarHBondContact O-CG 3.37Å; T758-E762 PolarHBondContact O-N 2.74Å; K759-E762 VanDerWaalsContact CD-OE2 3.31Å; K759-E762 WeakPolarHBondContact CD-OE2 3.43Å; K759-E762 WeakPolarHBondContact CE-OE2 3.44Å; K759-E762 IonicContact NZ-OE2 2.68Å; K759-E762 PolarHBondContact NZ-OE2 3.15Å; E762-R764 VanDerWaalsContact C-N 3.27Å; E762-R764 PolarHBondContact O-N 3.06Å |
| 763 | L | 80.4 | Confident | 72.2 | Confident | 22 Ų | 22 | 64.9 Ų | 64.9 | 12% | 0.115 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 5.4 | -172.3 | -64.9 | 171.3 | 0 | 0 | 0 | 114.3 | K661 E664 V665 K759 A761 | K661-L763 HydrophobicContact CD-CB 4.49Å; K661-L763 HydrophobicContact CG-CD2 4.4Å; K661-L763 PolarHBondContact NZ-O 2.77Å; E664-L763 HydrophobicContact CB-CD1 4.36Å; E664-L763 WeakPolarHBondContact OE2-CD2 3.29Å; V665-L763 HydrophobicContact CG2-CD1 3.46Å; V665-L763 VanDerWaalsContact CG2-CD1 3.46Å; K759-L763 WeakPolarHBondContact O-CB 3.36Å; K759-L763 WeakPolarHBondContact O-CG 3.19Å; K759-L763 PolarHBondContact O-N 2.88Å; K759-L763 VanDerWaalsContact O-N 3.16Å; A761-L763 VanDerWaalsContact C-N 3.34Å; A761-L763 PolarHBondContact O-N 2.62Å |
| 764 | R | 69.6 | Low | 72.1 | Confident | 85 Ų | 85 | 65.2 Ų | 65.2 | 32% | 0.321 | 37% | 0.372 | S | S | . | . | trans | -94.4 | 113.3 | -169.7 | -173.6 | 174 | 177.4 | -179.9 | 0.7 | 112.9 | R760 A761 E762 V766 E1277 | R760-R764 WeakPolarHBondContact O-CB 3.49Å; A761-R764 WeakPolarHBondContact O-CB 3.2Å; A761-R764 PolarHBondContact O-N 3.32Å; E762-R764 VanDerWaalsContact C-N 3.27Å; E762-R764 PolarHBondContact O-N 3.06Å; R764-V766 PolarHBondContact O-N 3.03Å; R764-E1277 IonicContact CZ-OE1 2.72Å; R764-E1277 IonicContact CZ-OE2 3.74Å; R764-E1277 IonicContact NH1-OE1 3.11Å; R764-E1277 IonicContact NH1-OE2 2.87Å; R764-E1277 PolarHBondContact NH1-OE2 3.22Å; R764-E1277 IonicContact NH2-OE1 3.29Å; R764-E1277 PolarHBondContact NH2-OE1 2.95Å; R764-E1277 IonicContact NH2-OE2 3.51Å; R764-E1277 PolarHBondContact NH2-OE2 2.66Å | ||
| 765 | D | 57.7 | Low | 72.2 | Confident | 98 Ų | 98 | 64.2 Ų | 64.2 | 52% | 0.524 | 37% | 0.37 | S | S | . | . | trans | -64.2 | 106.6 | 174.3 | -72.8 | -78.9 | 0 | 0 | 0 | 112 | K661 S767 T768 | K661-D765 IonicContact NZ-OD2 3.92Å; K661-D765 PolarHBondContact NZ-OD2 2.91Å; D765-S767 PolarHBondContact O-N 2.95Å; D765-T768 PolarHBondContact O-N 3.41Å; D765-T768 PolarHBondContact O-OG1 3.31Å; D765-T768 VanDerWaalsContact O-OG1 3.05Å | ||
| 766 | V | 50.1 | Low | 72.1 | Confident | 131 Ų | 131 | 63.9 Ų | 63.9 | 79% | 0.794 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -56.2 | -24.4 | -175 | -179.2 | 0 | 0 | 0 | 0 | 113 | R764 T768 S769 | R764-V766 PolarHBondContact O-N 3.03Å; V766-T768 PolarHBondContact O-N 3.29Å; V766-S769 PolarHBondContact O-N 3.3Å |
| 767 | S | 46.3 | Very low | 72 | Confident | 115 Ų | 115 | 65.3 Ų | 65.3 | 80% | 0.804 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -60.9 | -0.9 | 178.6 | 57.2 | 0 | 0 | 0 | 0 | 116 | D765 | D765-S767 PolarHBondContact O-N 2.95Š|
| 768 | T | 43.4 | Very low | 72.3 | Confident | 97 Ų | 97 | 64.6 Ų | 64.6 | 60% | 0.595 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -115 | 2.6 | -170.9 | -27.3 | 0 | 0 | 0 | 0 | 113.8 | D765 V766 S770 | D765-T768 PolarHBondContact O-N 3.41Å; D765-T768 PolarHBondContact O-OG1 3.31Å; D765-T768 VanDerWaalsContact O-OG1 3.05Å; V766-T768 PolarHBondContact O-N 3.29Å; T768-S770 PolarHBondContact O-N 3.19Å |
| 769 | S | 46 | Very low | 72.6 | Confident | 78 Ų | 78 | 62.3 Ų | 62.3 | 55% | 0.545 | 37% | 0.368 | S | S | . | . | trans | -76 | 89.3 | 176.6 | -167.3 | 0 | 0 | 0 | 0 | 111.2 | V766 I771 | V766-S769 PolarHBondContact O-N 3.3Å; S769-I771 VanDerWaalsContact C-N 3.29Å; S769-I771 PolarHBondContact O-N 3.2Å | ||
| 770 | S | 53.8 | Low | 72.9 | Confident | 80 Ų | 80 | 62.9 Ų | 62.9 | 56% | 0.559 | 38% | 0.381 | S | S | * | . | trans | -80.7 | 71.5 | -179.6 | 66.1 | 0 | 0 | 0 | 0 | 112.1 | T768 V772 | T768-S770 PolarHBondContact O-N 3.19Å; S770-V772 PolarHBondContact O-N 3.03Å | ||
| 771 | I | 58.4 | Low | 73.3 | Confident | 123 Ų | 123 | 62.3 Ų | 62.3 | 63% | 0.631 | 38% | 0.379 | S | S | * | . | trans | -62.1 | 127.4 | 161.1 | -59.5 | 171.1 | 0 | 0 | 0 | 107.1 | S769 E1222 | S769-I771 VanDerWaalsContact C-N 3.29Å; S769-I771 PolarHBondContact O-N 3.2Å; I771-E1222 HydrophobicContact CG2-CG 4.02Å | ||
| 772 | V | 67.7 | Low | 74.1 | Confident | 31 Ų | 31 | 59 Ų | 59 | 19% | 0.188 | 35% | 0.352 | C | S | . | . | trans | -104.8 | 93.3 | -177.5 | -172.8 | 0 | 0 | 0 | 0 | 109.5 | S770 A774 F1268 F1270 I1274 | S770-V772 PolarHBondContact O-N 3.03Å; V772-A774 VanDerWaalsContact C-N 3.31Å; V772-A774 PolarHBondContact O-N 3.37Å; V772-F1268 HydrophobicContact CG1-CE1 4.09Å; V772-F1270 HydrophobicContact CB-CD1 4.44Å; V772-F1270 HydrophobicContact CB-CE1 3.82Å; V772-F1270 HydrophobicContact CB-CE2 4.18Å; V772-F1270 HydrophobicContact CB-CZ 3.65Å; V772-F1270 HydrophobicContact CG1-CD1 3.74Å; V772-F1270 HydrophobicContact CG1-CE1 3.39Å; V772-F1270 HydrophobicContact CG1-CE2 4.49Å; V772-F1270 HydrophobicContact CG1-CG 4.41Å; V772-F1270 HydrophobicContact CG1-CZ 3.8Å; V772-F1270 HydrophobicContact CG2-CD2 4.33Å; V772-F1270 HydrophobicContact CG2-CE1 4.37Å; V772-F1270 HydrophobicContact CG2-CE2 4.01Å; V772-F1270 HydrophobicContact CG2-CZ 4.01Å; V772-I1274 HydrophobicContact CG2-CG2 3.62Å | ||
| 773 | D | 80.1 | Confident | 74.7 | Confident | 96 Ų | 96 | 56.8 Ų | 56.8 | 51% | 0.513 | 35% | 0.347 | S | S | . | . | trans | -68.3 | 92.1 | 168.1 | -175.2 | -13.2 | 0 | 0 | 0 | 109.3 | Q775 A776 A777 | D773-Q775 VanDerWaalsContact C-N 3.25Å; D773-Q775 PolarHBondContact O-N 3.1Å; D773-Q775 PolarHBondContact OD1-N 3.36Å; D773-Q775 VanDerWaalsContact OD1-N 3.09Å; D773-A776 HydrophobicContact CB-CB 3.98Å; D773-A776 PolarHBondContact OD1-N 3.43Å; D773-A776 WeakPolarHBondContact OD2-CB 3.48Å; D773-A777 PolarHBondContact O-N 3.42Å | ||
| 774 | A | 86.1 | Confident | 75.4 | Confident | 8 Ų | 8 | 60 Ų | 60 | 7% | 0.066 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.9 | -37 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | V772 A777 V778 R1216 F1268 | V772-A774 VanDerWaalsContact C-N 3.31Å; V772-A774 PolarHBondContact O-N 3.37Å; A774-A777 WeakPolarHBondContact O-CB 3.49Å; A774-A777 PolarHBondContact O-N 3.33Å; A774-V778 WeakPolarHBondContact O-CG2 3.34Å; A774-V778 PolarHBondContact O-N 2.89Å; A774-R1216 HydrophobicContact CB-CB 3.64Å; A774-R1216 HydrophobicContact CB-CG 3.98Å; A774-F1268 HydrophobicContact CB-CB 4.16Å; A774-F1268 HydrophobicContact CB-CD1 3.71Å; A774-F1268 HydrophobicContact CB-CG 4.23Å |
| 775 | Q | 89.5 | Confident | 76.6 | Confident | 28 Ų | 28 | 56 Ų | 56 | 13% | 0.131 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -77.1 | -33.9 | -176.1 | -164.9 | 57.3 | 8.5 | 0 | 0 | 112.4 | D773 A777 V778 Q779 K830 T1218 | D773-Q775 VanDerWaalsContact C-N 3.25Å; D773-Q775 PolarHBondContact O-N 3.1Å; D773-Q775 PolarHBondContact OD1-N 3.36Å; D773-Q775 VanDerWaalsContact OD1-N 3.09Å; Q775-A777 VanDerWaalsContact C-N 3.26Å; Q775-A777 PolarHBondContact O-N 3.25Å; Q775-V778 PolarHBondContact O-N 2.99Å; Q775-Q779 HydrophobicContact CG-CG 4.43Å; Q775-Q779 WeakPolarHBondContact O-CB 3.2Å; Q775-Q779 VanDerWaalsContact O-CG 3.24Å; Q775-Q779 WeakPolarHBondContact O-CG 3.33Å; Q775-Q779 PolarHBondContact O-N 3.28Å; Q775-K830 HydrophobicContact CG-CD 4.38Å; Q775-K830 PolarHBondContact NE2-O 3.09Å; Q775-T1218 PolarHBondContact OE1-O 2.96Å; Q775-T1218 VanDerWaalsContact OE1-O 3.08Å |
| 776 | A | 88.5 | Confident | 78.4 | Confident | 40 Ų | 40 | 52.3 Ų | 52.3 | 33% | 0.331 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.8 | -36.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D773 A780 | D773-A776 HydrophobicContact CB-CB 3.98Å; D773-A776 PolarHBondContact OD1-N 3.43Å; D773-A776 WeakPolarHBondContact OD2-CB 3.48Å; A776-A780 WeakPolarHBondContact O-CB 3.22Å; A776-A780 PolarHBondContact O-N 2.84Å |
| 777 | A | 89.6 | Confident | 80.4 | Confident | 30 Ų | 30 | 48.8 Ų | 48.8 | 25% | 0.248 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.3 | -43.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D773 A774 Q775 A780 M781 F1268 | D773-A777 PolarHBondContact O-N 3.42Å; A774-A777 WeakPolarHBondContact O-CB 3.49Å; A774-A777 PolarHBondContact O-N 3.33Å; Q775-A777 VanDerWaalsContact C-N 3.26Å; Q775-A777 PolarHBondContact O-N 3.25Å; A777-A780 WeakPolarHBondContact O-CB 3.3Å; A777-A780 PolarHBondContact O-N 2.73Å; A777-M781 WeakPolarHBondContact O-CG 3.47Å; A777-M781 PolarHBondContact O-N 3.22Å; A777-M781 VanDerWaalsContact O-N 3.16Å; A777-F1268 HydrophobicContact CB-CD2 4.46Å; A777-F1268 HydrophobicContact CB-CE1 3.99Å; A777-F1268 HydrophobicContact CB-CE2 3.8Å; A777-F1268 HydrophobicContact CB-CZ 3.52Å |
| 778 | V | 92.3 | Very high | 82.7 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.9 | -43.5 | 177 | 170.8 | 0 | 0 | 0 | 0 | 112.1 | A774 Q775 A780 M781 F782 L881 T1218 F1268 | A774-V778 WeakPolarHBondContact O-CG2 3.34Å; A774-V778 PolarHBondContact O-N 2.89Å; Q775-V778 PolarHBondContact O-N 2.99Å; V778-A780 VanDerWaalsContact C-N 3.26Å; V778-A780 PolarHBondContact O-N 3.02Å; V778-M781 WeakPolarHBondContact O-CA 3.47Å; V778-M781 WeakPolarHBondContact O-CB 3.46Å; V778-M781 PolarHBondContact O-N 3.25Å; V778-F782 HydrophobicContact CG1-CD1 4.46Å; V778-F782 HydrophobicContact CG1-CD2 4.35Å; V778-F782 HydrophobicContact CG1-CE1 3.7Å; V778-F782 HydrophobicContact CG1-CE2 3.6Å; V778-F782 HydrophobicContact CG1-CZ 3.2Å; V778-F782 PolarHBondContact O-N 3.2Å; V778-L881 HydrophobicContact CG2-CD1 4.28Å; V778-L881 HydrophobicContact CG2-CD2 4.34Å; V778-T1218 HydrophobicContact CG2-CG2 3.71Å; V778-F1268 HydrophobicContact CG2-CB 4.47Å; V778-F1268 HydrophobicContact CG2-CD2 4.48Å |
| 779 | Q | 92.6 | Very high | 85 | Confident | 11 Ų | 11 | 40.6 Ų | 40.6 | 5% | 0.051 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.1 | -34.2 | 173.9 | -67.5 | -52.9 | -70.1 | 0 | 0 | 112.5 | Q775 M781 F782 S783 K827 Y829 | Q775-Q779 HydrophobicContact CG-CG 4.43Å; Q775-Q779 WeakPolarHBondContact O-CB 3.2Å; Q775-Q779 VanDerWaalsContact O-CG 3.24Å; Q775-Q779 WeakPolarHBondContact O-CG 3.33Å; Q775-Q779 PolarHBondContact O-N 3.28Å; Q779-M781 VanDerWaalsContact C-N 3.35Å; Q779-F782 PolarHBondContact O-N 3.44Å; Q779-S783 WeakPolarHBondContact O-CB 3.39Å; Q779-S783 PolarHBondContact O-N 3.4Å; Q779-S783 PolarHBondContact O-OG 3.19Å; Q779-K827 HydrophobicContact CG-CB 4.38Å; Q779-K827 HydrophobicContact CG-CD 4.19Å; Q779-K827 HydrophobicContact CG-CG 4.14Å; Q779-K827 VanDerWaalsContact OE1-CA 3.25Å; Q779-Y829 PolarHBondContact NE2-O 3.02Å |
| 780 | A | 92.8 | Very high | 87.1 | Confident | 56 Ų | 56 | 38.3 Ų | 38.3 | 46% | 0.463 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66.1 | -36.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A776 A777 V778 S783 E784 | A776-A780 WeakPolarHBondContact O-CB 3.22Å; A776-A780 PolarHBondContact O-N 2.84Å; A777-A780 WeakPolarHBondContact O-CB 3.3Å; A777-A780 PolarHBondContact O-N 2.73Å; V778-A780 VanDerWaalsContact C-N 3.26Å; V778-A780 PolarHBondContact O-N 3.02Å; A780-S783 PolarHBondContact O-N 3.32Å; A780-E784 WeakPolarHBondContact O-CB 3.36Å; A780-E784 PolarHBondContact O-N 2.97Å |
| 781 | M | 94.2 | Very high | 88.8 | Confident | 12 Ų | 12 | 37.7 Ų | 37.7 | 6% | 0.059 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.8 | -45.7 | 172.4 | -58.5 | -170.5 | -169.7 | 0 | 0 | 111.9 | A777 V778 Q779 S783 E784 L785 I874 L881 F1268 | A777-M781 WeakPolarHBondContact O-CG 3.47Å; A777-M781 PolarHBondContact O-N 3.22Å; A777-M781 VanDerWaalsContact O-N 3.16Å; V778-M781 WeakPolarHBondContact O-CA 3.47Å; V778-M781 WeakPolarHBondContact O-CB 3.46Å; V778-M781 PolarHBondContact O-N 3.25Å; Q779-M781 VanDerWaalsContact C-N 3.35Å; M781-S783 VanDerWaalsContact C-N 3.32Å; M781-S783 PolarHBondContact O-N 3.39Å; M781-E784 PolarHBondContact O-N 3.4Å; M781-L785 WeakPolarHBondContact O-CB 3.25Å; M781-L785 VanDerWaalsContact O-CG 3.27Å; M781-L785 WeakPolarHBondContact O-CG 3.35Å; M781-L785 PolarHBondContact O-N 3.5Å; M781-I874 HydrophobicContact CB-CG2 3.7Å; M781-I874 HydrophobicContact CG-CG2 3.46Å; M781-I874 VanDerWaalsContact CG-CG2 3.46Å; M781-I874 HydrophobicContact SD-CG2 3.78Å; M781-L881 HydrophobicContact CE-CB 4.29Å; M781-L881 HydrophobicContact SD-CB 4.13Å; M781-L881 HydrophobicContact SD-CD2 3.79Å; M781-F1268 HydrophobicContact CE-CD2 4.05Å; M781-F1268 HydrophobicContact CE-CE2 3.71Å |
| 782 | F | 95.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.5 | -39.7 | 177 | -57.7 | -19.2 | 0 | 0 | 0 | 111.9 | V778 Q779 L785 F786 V824 R831 L832 F835 | V778-F782 HydrophobicContact CG1-CD1 4.46Å; V778-F782 HydrophobicContact CG1-CD2 4.35Å; V778-F782 HydrophobicContact CG1-CE1 3.7Å; V778-F782 HydrophobicContact CG1-CE2 3.6Å; V778-F782 HydrophobicContact CG1-CZ 3.2Å; V778-F782 PolarHBondContact O-N 3.2Å; Q779-F782 PolarHBondContact O-N 3.44Å; F782-L785 PolarHBondContact O-N 2.87Å; F782-F786 WeakPolarHBondContact O-CB 3.29Å; F782-F786 PolarHBondContact O-N 2.94Å; F782-V824 HydrophobicContact CB-CG1 4.26Å; F782-V824 HydrophobicContact CB-CG2 4.46Å; F782-R831 WeakPolarHBondContact CZ-O 3.3Å; F782-L832 HydrophobicContact CD1-CD1 4.26Å; F782-L832 HydrophobicContact CE1-CB 3.89Å; F782-L832 HydrophobicContact CE1-CD1 3.96Å; F782-L832 HydrophobicContact CZ-CB 4.47Å; F782-F835 HydrophobicContact CB-CD1 4.41Å; F782-F835 HydrophobicContact CB-CE1 4.33Å; F782-F835 HydrophobicContact CB-CZ 4.49Å; F782-F835 HydrophobicContact CD1-CB 4.45Å; F782-F835 AromaticContact CD1-CD1 3.84Å; F782-F835 HydrophobicContact CD1-CD1 3.84Å; F782-F835 HydrophobicContact CD1-CE1 4.39Å; F782-F835 HydrophobicContact CD1-CG 4.25Å; F782-F835 HydrophobicContact CE1-CB 4.46Å; F782-F835 HydrophobicContact CE1-CD1 4.46Å; F782-F835 HydrophobicContact CG-CD1 4.24Å; F782-F835 HydrophobicContact CG-CG 4.36Å |
| 783 | S | 94.2 | Very high | 91.2 | Very high | 51 Ų | 51 | 36.7 Ų | 36.7 | 36% | 0.357 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.6 | -44.3 | 175.9 | -55.9 | 0 | 0 | 0 | 0 | 111.9 | Q779 A780 M781 S787 | Q779-S783 WeakPolarHBondContact O-CB 3.39Å; Q779-S783 PolarHBondContact O-N 3.4Å; Q779-S783 PolarHBondContact O-OG 3.19Å; A780-S783 PolarHBondContact O-N 3.32Å; M781-S783 VanDerWaalsContact C-N 3.32Å; M781-S783 PolarHBondContact O-N 3.39Å; S783-S787 WeakPolarHBondContact O-CB 3.49Å; S783-S787 PolarHBondContact O-N 3.42Å; S783-S787 PolarHBondContact O-OG 3.43Å |
| 784 | E | 94.7 | Very high | 91.2 | Very high | 89 Ų | 89 | 33.1 Ų | 33.1 | 42% | 0.416 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -66.9 | -37.3 | 177.1 | -168.9 | -175.1 | 154.6 | 0 | 0 | 111.5 | A780 M781 T788 K870 I874 | A780-E784 WeakPolarHBondContact O-CB 3.36Å; A780-E784 PolarHBondContact O-N 2.97Å; M781-E784 PolarHBondContact O-N 3.4Å; E784-T788 WeakPolarHBondContact O-CB 3.07Å; E784-T788 PolarHBondContact O-N 2.84Å; E784-T788 VanDerWaalsContact O-N 3.08Å; E784-T788 PolarHBondContact O-OG1 3.46Å; E784-K870 IonicContact OE1-NZ 2.77Å; E784-K870 PolarHBondContact OE1-NZ 2.83Å; E784-I874 HydrophobicContact CB-CD1 3.91Å; E784-I874 VanDerWaalsContact CD-CD1 3.41Å; E784-I874 HydrophobicContact CG-CD1 3.65Å; E784-I874 WeakPolarHBondContact OE1-CD1 3.5Å |
| 785 | L | 95.8 | Very high | 90.5 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.5 | -51.1 | 174.7 | -75.4 | 166.3 | 0 | 0 | 0 | 112.2 | M781 F782 S787 T788 V789 L832 F835 F867 K870 R871 I874 | M781-L785 WeakPolarHBondContact O-CB 3.25Å; M781-L785 VanDerWaalsContact O-CG 3.27Å; M781-L785 WeakPolarHBondContact O-CG 3.35Å; M781-L785 PolarHBondContact O-N 3.5Å; F782-L785 PolarHBondContact O-N 2.87Å; L785-S787 PolarHBondContact O-N 3.18Å; L785-T788 PolarHBondContact O-N 2.95Å; L785-T788 VanDerWaalsContact O-N 3.15Å; L785-V789 PolarHBondContact O-N 3.18Å; L785-V789 VanDerWaalsContact O-N 3.13Å; L785-L832 HydrophobicContact CD1-CD1 3.84Å; L785-F835 HydrophobicContact CB-CE1 3.76Å; L785-F835 HydrophobicContact CB-CZ 4.3Å; L785-F835 HydrophobicContact CD1-CD1 4.45Å; L785-F835 HydrophobicContact CD1-CE1 4.04Å; L785-F867 HydrophobicContact CB-CE2 4.38Å; L785-K870 HydrophobicContact CD2-CB 4.03Å; L785-K870 HydrophobicContact CD2-CG 3.76Å; L785-R871 HydrophobicContact CD2-CB 4.02Å; L785-I874 HydrophobicContact CD2-CD1 4.02Å; L785-I874 HydrophobicContact CG-CD1 3.99Å |
| 786 | F | 95.4 | Very high | 89.3 | Confident | 21 Ų | 21 | 39.3 Ų | 39.3 | 9% | 0.092 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56.9 | -50.3 | 177.8 | -174.9 | -83 | 0 | 0 | 0 | 111 | F782 T788 V789 D790 L817 I820 G821 V824 F835 M839 | F782-F786 WeakPolarHBondContact O-CB 3.29Å; F782-F786 PolarHBondContact O-N 2.94Å; F786-T788 PolarHBondContact O-N 3.32Å; F786-V789 PolarHBondContact O-N 3.04Å; F786-V789 VanDerWaalsContact O-N 3.11Å; F786-D790 HydrophobicContact CD1-CB 4.34Å; F786-D790 HydrophobicContact CE1-CB 3.94Å; F786-D790 PolarHBondContact O-N 2.73Å; F786-L817 HydrophobicContact CE2-CD1 3.85Å; F786-L817 HydrophobicContact CE2-CG 4.42Å; F786-L817 WeakPolarHBondContact CE2-O 3.17Å; F786-L817 HydrophobicContact CZ-CD1 4.02Å; F786-L817 HydrophobicContact CZ-CG 4.2Å; F786-I820 HydrophobicContact CD2-CG2 4.05Å; F786-I820 HydrophobicContact CE2-CB 4.22Å; F786-I820 HydrophobicContact CE2-CG2 4.13Å; F786-G821 VanDerWaalsContact CE2-N 3.3Å; F786-G821 VanDerWaalsContact CZ-CA 3.48Å; F786-V824 HydrophobicContact CD2-CG2 4.46Å; F786-F835 HydrophobicContact CB-CZ 4.25Å; F786-M839 HydrophobicContact CB-CE 4.46Å; F786-M839 HydrophobicContact CD2-CE 3.48Å; F786-M839 VanDerWaalsContact CD2-CE 3.48Å; F786-M839 HydrophobicContact CE2-CE 4.04Å; F786-M839 HydrophobicContact CG-CE 4.33Å |
| 787 | S | 92.4 | Very high | 88.4 | Confident | 57 Ų | 57 | 38 Ų | 38 | 40% | 0.399 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.2 | -31.5 | 179.7 | -50.8 | 0 | 0 | 0 | 0 | 112.3 | S783 L785 D791 | S783-S787 WeakPolarHBondContact O-CB 3.49Å; S783-S787 PolarHBondContact O-N 3.42Å; S783-S787 PolarHBondContact O-OG 3.43Å; L785-S787 PolarHBondContact O-N 3.18Å; S787-D791 WeakPolarHBondContact O-CB 3.39Å; S787-D791 PolarHBondContact O-N 3.17Å |
| 788 | T | 93 | Very high | 87.8 | Confident | 38 Ų | 38 | 37 Ų | 37 | 23% | 0.233 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -71.4 | -33.6 | 176.9 | -54.7 | 0 | 0 | 0 | 0 | 112.3 | E784 L785 F786 H792 V866 K870 | E784-T788 WeakPolarHBondContact O-CB 3.07Å; E784-T788 PolarHBondContact O-N 2.84Å; E784-T788 VanDerWaalsContact O-N 3.08Å; E784-T788 PolarHBondContact O-OG1 3.46Å; L785-T788 PolarHBondContact O-N 2.95Å; L785-T788 VanDerWaalsContact O-N 3.15Å; F786-T788 PolarHBondContact O-N 3.32Å; T788-H792 WeakPolarHBondContact O-CB 3.41Å; T788-H792 PolarHBondContact O-N 2.99Å; T788-V866 HydrophobicContact CG2-CG1 3.95Å; T788-K870 HydrophobicContact CG2-CB 4.24Å; T788-K870 HydrophobicContact CG2-CD 4.11Å; T788-K870 HydrophobicContact CG2-CG 3.84Å; T788-K870 WeakPolarHBondContact OG1-CE 3.44Å |
| 789 | V | 92.4 | Very high | 87.3 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -73.4 | -43.1 | 173.1 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | L785 F786 F843 L863 F867 | L785-V789 PolarHBondContact O-N 3.18Å; L785-V789 VanDerWaalsContact O-N 3.13Å; F786-V789 PolarHBondContact O-N 3.04Å; F786-V789 VanDerWaalsContact O-N 3.11Å; V789-F843 HydrophobicContact CG1-CE1 4.18Å; V789-F843 HydrophobicContact CG1-CZ 4.06Å; V789-F843 HydrophobicContact CG2-CZ 4.4Å; V789-L863 HydrophobicContact CG1-CB 4.47Å; V789-L863 HydrophobicContact CG1-CD2 4.12Å; V789-L863 WeakPolarHBondContact O-CD2 3.44Å; V789-F867 HydrophobicContact CG2-CB 3.98Å; V789-F867 HydrophobicContact CG2-CD2 3.88Å; V789-F867 HydrophobicContact CG2-CG 4.43Å |
| 790 | D | 90.4 | Very high | 87 | Confident | 30 Ų | 30 | 40.3 Ų | 40.3 | 16% | 0.16 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -73.6 | -36.9 | -175.1 | -162.2 | 32.3 | 0 | 0 | 0 | 113.1 | F786 Y799 S801 R805 | F786-D790 HydrophobicContact CD1-CB 4.34Å; F786-D790 HydrophobicContact CE1-CB 3.94Å; F786-D790 PolarHBondContact O-N 2.73Å; D790-Y799 WeakPolarHBondContact O-CD1 3.04Å; D790-S801 WeakPolarHBondContact O-CB 3.46Å; D790-S801 PolarHBondContact O-OG 3.19Å; D790-R805 IonicContact OD1-CZ 2.81Å; D790-R805 IonicContact OD1-NE 3.83Å; D790-R805 PolarHBondContact OD1-NE 3.02Å; D790-R805 IonicContact OD1-NH2 3.43Å; D790-R805 PolarHBondContact OD1-NH2 3.23Å; D790-R805 IonicContact OD2-NH2 3.49Å; D790-R805 PolarHBondContact OD2-NH2 3.23Å |
| 791 | D | 88.8 | Confident | 86.8 | Confident | 67 Ų | 67 | 37.8 Ų | 37.8 | 36% | 0.358 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 6.5 | 177.1 | -71 | -51.2 | 0 | 0 | 0 | 114.4 | S787 H793 Y799 K988 | S787-D791 WeakPolarHBondContact O-CB 3.39Å; S787-D791 PolarHBondContact O-N 3.17Å; D791-H793 PolarHBondContact O-N 3.11Å; D791-H793 PolarHBondContact O-ND1 3.3Å; D791-Y799 HydrophobicContact CB-CE1 4.09Å; D791-K988 IonicContact OD1-NZ 2.87Å; D791-K988 PolarHBondContact OD1-NZ 3.48Å |
| 792 | H | 90.4 | Very high | 86.2 | Confident | 43 Ų | 43 | 38.4 Ų | 38.4 | 20% | 0.199 | 22% | 0.216 | C | C | . | . | trans | -69.1 | 128.8 | 177.8 | -170.4 | 55.4 | 0 | 0 | 0 | 112 | T788 Y799 Y800 E862 L863 | T788-H792 WeakPolarHBondContact O-CB 3.41Å; T788-H792 PolarHBondContact O-N 2.99Å; H792-Y799 WeakPolarHBondContact O-CA 3.38Å; H792-Y800 AromaticContact CD2-CD2 3.36Å; H792-Y800 WeakPolarHBondContact CD2-CD2 3.3Å; H792-Y800 AromaticContact CD2-CE2 3.7Å; H792-Y800 AromaticContact NE2-CD2 3.9Å; H792-Y800 AromaticContact NE2-CE2 3.72Å; H792-Y800 PolarHBondContact O-N 2.94Å; H792-Y800 VanDerWaalsContact O-N 3.09Å; H792-E862 IonicContact CD2-OE1 2.68Å; H792-E862 IonicContact CE1-OE1 2.76Å; H792-E862 IonicContact NE2-OE1 3.4Å; H792-E862 PolarHBondContact NE2-OE1 2.65Å; H792-L863 HydrophobicContact CB-CD2 3.88Å | ||
| 793 | H | 86.5 | Confident | 85.5 | Confident | 90 Ų | 90 | 38.6 Ų | 38.6 | 42% | 0.417 | 22% | 0.217 | S | C | . | . | B | Isolated β-bridge | trans | -147.2 | 154.8 | -175.3 | 59 | -85.9 | 0 | 0 | 0 | 113.2 | D791 Y798 Y799 | D791-H793 PolarHBondContact O-N 3.11Å; D791-H793 PolarHBondContact O-ND1 3.3Å; H793-Y798 CarbonylContact C-O 3.31Å; H793-Y798 WeakPolarHBondContact CA-O 3.45Å; H793-Y798 WeakPolarHBondContact CB-O 3.5Å; H793-Y799 HydrophobicContact CB-CD2 3.49Å; H793-Y799 VanDerWaalsContact CB-CD2 3.49Å; H793-Y799 HydrophobicContact CB-CE2 3.76Å; H793-Y799 HydrophobicContact CB-CG 3.94Å; H793-Y799 AromaticContact CG-CE2 3.83Å; H793-Y799 AromaticContact ND1-CE2 3.89Å; H793-Y799 AromaticContact ND1-CZ 3.86Å |
| 794 | D | 80.2 | Confident | 85 | Confident | 22 Ų | 22 | 36.3 Ų | 36.3 | 12% | 0.118 | 20% | 0.201 | C | C | . | . | trans | -77.7 | 176.6 | 177.6 | 81 | -2 | 0 | 0 | 0 | 113.2 | C796 G797 Y798 Y800 K1050 | D794-C796 PolarHBondContact O-N 3.16Å; D794-C796 WeakPolarHBondContact OD1-CA 3.23Å; D794-C796 WeakPolarHBondContact OD1-CB 3.34Å; D794-C796 PolarHBondContact OD1-N 3.42Å; D794-G797 PolarHBondContact O-N 3.1Å; D794-G797 PolarHBondContact OD1-N 3.38Å; D794-Y798 PolarHBondContact N-O 3.11Å; D794-Y798 PolarHBondContact OD1-N 2.94Å; D794-Y800 HydrophobicContact CB-CE2 3.99Å; D794-K1050 WeakPolarHBondContact OD2-CE 3.25Å; D794-K1050 IonicContact OD2-NZ 3.62Å; D794-K1050 PolarHBondContact OD2-NZ 3.07Å | ||
| 795 | S | 71.5 | Confident | 84.1 | Confident | 130 Ų | 130 | 34.4 Ų | 34.4 | 91% | 0.909 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -7.9 | 179.5 | 54.1 | 0 | 0 | 0 | 0 | 115.1 | ||
| 796 | C | 64 | Low | 82.6 | Confident | 36 Ų | 36 | 36.7 Ų | 36.7 | 24% | 0.243 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -9.3 | 173.5 | -74.6 | 0 | 0 | 0 | 0 | 112.8 | D794 A1017 | D794-C796 PolarHBondContact O-N 3.16Å; D794-C796 WeakPolarHBondContact OD1-CA 3.23Å; D794-C796 WeakPolarHBondContact OD1-CB 3.34Å; D794-C796 PolarHBondContact OD1-N 3.42Å; C796-A1017 HydrophobicContact CB-CB 3.86Å |
| 797 | G | 69.9 | Low | 81.2 | Confident | 11 Ų | 11 | 35.9 Ų | 35.9 | 11% | 0.113 | 20% | 0.199 | C | C | . | . | trans | 91.6 | 16.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | D794 Y799 | D794-G797 PolarHBondContact O-N 3.1Å; D794-G797 PolarHBondContact OD1-N 3.38Å; G797-Y799 WeakPolarHBondContact O-CD2 3.31Å; G797-Y799 PolarHBondContact O-N 3.45Å | ||
| 798 | Y | 76.9 | Confident | 79.6 | Confident | 11 Ų | 11 | 37.1 Ų | 37.1 | 4% | 0.043 | 20% | 0.201 | C | C | . | . | trans | -76.9 | 113.3 | 171 | 176.1 | -96.6 | 0 | 0 | 0 | 110.1 | H793 D794 Y800 S803 D859 K1050 | H793-Y798 CarbonylContact C-O 3.31Å; H793-Y798 WeakPolarHBondContact CA-O 3.45Å; H793-Y798 WeakPolarHBondContact CB-O 3.5Å; D794-Y798 PolarHBondContact N-O 3.11Å; D794-Y798 PolarHBondContact OD1-N 2.94Å; Y798-Y800 HydrophobicContact CE1-CD1 4.46Å; Y798-S803 PolarHBondContact OH-OG 2.96Å; Y798-D859 PolarHBondContact OH-OD2 2.9Å; Y798-D859 VanDerWaalsContact OH-OD2 3.14Å; Y798-K1050 HydrophobicContact CD1-CD 4.31Å; Y798-K1050 HydrophobicContact CE1-CD 4.42Å; Y798-K1050 HydrophobicContact CE2-CB 4.19Å; Y798-K1050 HydrophobicContact CG-CD 4.46Å | ||
| 799 | Y | 82.7 | Confident | 77.6 | Confident | 43 Ų | 43 | 37.6 Ų | 37.6 | 17% | 0.169 | 20% | 0.202 | C | C | . | . | B | Isolated β-bridge | trans | -80.4 | 118 | 177.3 | -77.1 | -129 | 0 | 0 | 0 | 109.9 | D790 D791 H792 H793 G797 S801 N802 L1075 | D790-Y799 WeakPolarHBondContact O-CD1 3.04Å; D791-Y799 HydrophobicContact CB-CE1 4.09Å; H792-Y799 WeakPolarHBondContact O-CA 3.38Å; H793-Y799 HydrophobicContact CB-CD2 3.49Å; H793-Y799 VanDerWaalsContact CB-CD2 3.49Å; H793-Y799 HydrophobicContact CB-CE2 3.76Å; H793-Y799 HydrophobicContact CB-CG 3.94Å; H793-Y799 AromaticContact CG-CE2 3.83Å; H793-Y799 AromaticContact ND1-CE2 3.89Å; H793-Y799 AromaticContact ND1-CZ 3.86Å; G797-Y799 WeakPolarHBondContact O-CD2 3.31Å; G797-Y799 PolarHBondContact O-N 3.45Å; Y799-S801 VanDerWaalsContact C-N 3.28Å; Y799-S801 PolarHBondContact O-N 3.5Å; Y799-N802 WeakPolarHBondContact CB-ND2 3.48Å; Y799-N802 VanDerWaalsContact O-CB 3.31Å; Y799-N802 WeakPolarHBondContact O-CB 3.36Å; Y799-N802 PolarHBondContact O-N 2.73Å; Y799-N802 PolarHBondContact O-ND2 2.83Å; Y799-L1075 HydrophobicContact CD2-CD1 3.64Å; Y799-L1075 HydrophobicContact CE1-CD1 4.44Å; Y799-L1075 HydrophobicContact CE2-CD1 3.24Å; Y799-L1075 HydrophobicContact CE2-CG 4.2Å; Y799-L1075 HydrophobicContact CG-CD1 4.44Å |
| 800 | Y | 86.3 | Confident | 75.7 | Confident | 37 Ų | 37 | 44.1 Ų | 44.1 | 15% | 0.145 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -31.4 | -176.8 | -65.9 | -94.2 | 0 | 0 | 0 | 112.4 | H792 D794 Y798 N802 S803 D859 E862 | H792-Y800 AromaticContact CD2-CD2 3.36Å; H792-Y800 WeakPolarHBondContact CD2-CD2 3.3Å; H792-Y800 AromaticContact CD2-CE2 3.7Å; H792-Y800 AromaticContact NE2-CD2 3.9Å; H792-Y800 AromaticContact NE2-CE2 3.72Å; H792-Y800 PolarHBondContact O-N 2.94Å; H792-Y800 VanDerWaalsContact O-N 3.09Å; D794-Y800 HydrophobicContact CB-CE2 3.99Å; Y798-Y800 HydrophobicContact CE1-CD1 4.46Å; Y800-N802 PolarHBondContact O-N 2.88Å; Y800-N802 VanDerWaalsContact O-N 3.1Å; Y800-S803 PolarHBondContact O-N 2.93Å; Y800-S803 VanDerWaalsContact O-N 3.15Å; Y800-D859 HydrophobicContact CD1-CB 4.15Å; Y800-D859 VanDerWaalsContact CD1-OD1 3.29Å; Y800-D859 WeakPolarHBondContact CD1-OD1 3.25Å; Y800-E862 HydrophobicContact CD1-CB 4.18Å; Y800-E862 HydrophobicContact CD1-CG 4.01Å; Y800-E862 HydrophobicContact CD2-CG 4.36Å; Y800-E862 HydrophobicContact CE1-CB 4.16Å; Y800-E862 HydrophobicContact CE1-CG 3.81Å; Y800-E862 HydrophobicContact CE2-CG 4.18Å; Y800-E862 HydrophobicContact CG-CG 4.28Å |
| 801 | S | 87.6 | Confident | 73.9 | Confident | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.014 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56.7 | -25.5 | 177.3 | 57 | 0 | 0 | 0 | 0 | 113.5 | D790 Y799 S803 L804 R805 | D790-S801 WeakPolarHBondContact O-CB 3.46Å; D790-S801 PolarHBondContact O-OG 3.19Å; Y799-S801 VanDerWaalsContact C-N 3.28Å; Y799-S801 PolarHBondContact O-N 3.5Å; S801-S803 PolarHBondContact O-N 3.42Å; S801-L804 PolarHBondContact O-N 3.3Å; S801-L804 VanDerWaalsContact O-N 3.16Å; S801-R805 WeakPolarHBondContact O-CG 3.48Å; S801-R805 PolarHBondContact O-N 2.87Å; S801-R805 VanDerWaalsContact O-N 3.14Å |
| 802 | N | 81.7 | Confident | 72.2 | Confident | 25 Ų | 25 | 52 Ų | 52 | 13% | 0.134 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.8 | -30.7 | 176.9 | -77.4 | -49.9 | 0 | 0 | 0 | 114 | Y799 Y800 N806 R987 | Y799-N802 WeakPolarHBondContact CB-ND2 3.48Å; Y799-N802 VanDerWaalsContact O-CB 3.31Å; Y799-N802 WeakPolarHBondContact O-CB 3.36Å; Y799-N802 PolarHBondContact O-N 2.73Å; Y799-N802 PolarHBondContact O-ND2 2.83Å; Y800-N802 PolarHBondContact O-N 2.88Å; Y800-N802 VanDerWaalsContact O-N 3.1Å; N802-N806 PolarHBondContact O-ND2 3.23Å; N802-N806 VanDerWaalsContact O-ND2 3.09Å; N802-R987 PolarHBondContact OD1-NH1 3.13Å |
| 803 | S | 81.6 | Confident | 70.7 | Confident | 4 Ų | 4 | 53.3 Ų | 53.3 | 3% | 0.028 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -74.9 | -34.6 | 179.1 | -65.3 | 0 | 0 | 0 | 0 | 111.5 | Y798 Y800 S801 N806 D859 | Y798-S803 PolarHBondContact OH-OG 2.96Å; Y800-S803 PolarHBondContact O-N 2.93Å; Y800-S803 VanDerWaalsContact O-N 3.15Å; S801-S803 PolarHBondContact O-N 3.42Å; S803-N806 PolarHBondContact O-N 3.09Å; S803-D859 WeakPolarHBondContact CB-OD2 3.37Å; S803-D859 PolarHBondContact OG-OD2 3.19Å |
| 804 | L | 82.5 | Confident | 69.4 | Low | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.016 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69.9 | -31.4 | 173.9 | -56.8 | -174.7 | 0 | 0 | 0 | 112.6 | S801 N806 V807 L842 F843 A846 A860 L863 | S801-L804 PolarHBondContact O-N 3.3Å; S801-L804 VanDerWaalsContact O-N 3.16Å; L804-N806 PolarHBondContact O-N 2.89Å; L804-N806 VanDerWaalsContact O-N 3.13Å; L804-V807 WeakPolarHBondContact O-CB 3.41Å; L804-V807 PolarHBondContact O-N 3.21Å; L804-L842 HydrophobicContact CD1-CD2 4.18Å; L804-L842 HydrophobicContact CD1-CG 4.37Å; L804-F843 HydrophobicContact CD1-CD1 3.75Å; L804-F843 HydrophobicContact CD1-CE1 3.65Å; L804-A846 HydrophobicContact CD2-CB 3.37Å; L804-A860 HydrophobicContact CD2-CB 4.22Å; L804-L863 HydrophobicContact CD1-CD1 3.46Å; L804-L863 VanDerWaalsContact CD1-CD1 3.46Å; L804-L863 HydrophobicContact CG-CD1 3.93Å |
| 805 | R | 75.8 | Confident | 69 | Low | 50 Ų | 50 | 52.4 Ų | 52.4 | 19% | 0.189 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -15 | 175 | -69.7 | 175.4 | 174.5 | -76 | -0.4 | 113.8 | D790 S801 L817 D818 | D790-R805 IonicContact OD1-CZ 2.81Å; D790-R805 IonicContact OD1-NE 3.83Å; D790-R805 PolarHBondContact OD1-NE 3.02Å; D790-R805 IonicContact OD1-NH2 3.43Å; D790-R805 PolarHBondContact OD1-NH2 3.23Å; D790-R805 IonicContact OD2-NH2 3.49Å; D790-R805 PolarHBondContact OD2-NH2 3.23Å; S801-R805 WeakPolarHBondContact O-CG 3.48Å; S801-R805 PolarHBondContact O-N 2.87Å; S801-R805 VanDerWaalsContact O-N 3.14Å; R805-L817 HydrophobicContact CG-CD2 3.88Å; R805-D818 IonicContact CZ-OD1 2.71Å; R805-D818 IonicContact NH1-OD1 3.77Å; R805-D818 PolarHBondContact NH1-OD1 3.42Å; R805-D818 IonicContact NH1-OD2 2.71Å; R805-D818 PolarHBondContact NH1-OD2 2.95Å; R805-D818 IonicContact NH2-OD1 3.7Å |
| 806 | N | 64.4 | Low | 69.5 | Low | 50 Ų | 50 | 48.2 Ų | 48.2 | 27% | 0.267 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -4.7 | 174.4 | -55.4 | -43.8 | 0 | 0 | 0 | 113.4 | N802 S803 L804 L808 | N802-N806 PolarHBondContact O-ND2 3.23Å; N802-N806 VanDerWaalsContact O-ND2 3.09Å; S803-N806 PolarHBondContact O-N 3.09Å; L804-N806 PolarHBondContact O-N 2.89Å; L804-N806 VanDerWaalsContact O-N 3.13Å; N806-L808 PolarHBondContact O-N 3.34Å; N806-L808 VanDerWaalsContact O-N 3.1Å |
| 807 | V | 67.1 | Low | 70.5 | Confident | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.024 | 25% | 0.247 | C | C | . | . | trans | -81.3 | 86.2 | 177 | 176.2 | 0 | 0 | 0 | 0 | 108.1 | L804 L816 K845 A846 L849 T856 | L804-V807 WeakPolarHBondContact O-CB 3.41Å; L804-V807 PolarHBondContact O-N 3.21Å; V807-L816 WeakPolarHBondContact O-CD2 3.44Å; V807-K845 HydrophobicContact CG1-CD 4Å; V807-K845 HydrophobicContact CG1-CG 3.89Å; V807-A846 HydrophobicContact CG2-CB 3.97Å; V807-L849 HydrophobicContact CG1-CD1 3.77Å; V807-T856 HydrophobicContact CG2-CG2 4.07Å | ||
| 808 | L | 57.6 | Low | 71.1 | Confident | 83 Ų | 83 | 49.8 Ų | 49.8 | 44% | 0.435 | 26% | 0.261 | S | S | . | . | trans | -79.1 | 158.4 | -177.3 | -66.4 | 166.7 | 0 | 0 | 0 | 111.8 | N806 K845 R1045 | N806-L808 PolarHBondContact O-N 3.34Å; N806-L808 VanDerWaalsContact O-N 3.1Å; L808-K845 PolarHBondContact O-NZ 2.93Å; L808-R1045 VanDerWaalsContact CD1-CD 3.4Å | ||
| 809 | D | 52.5 | Low | 71.5 | Confident | 48 Ų | 48 | 51.9 Ų | 51.9 | 26% | 0.257 | 27% | 0.272 | S | S | . | . | trans | -121 | 123.7 | 173.3 | -166.9 | 34.6 | 0 | 0 | 0 | 110.2 | T812 G813 L816 K845 | D809-T812 WeakPolarHBondContact OD1-CA 2.97Å; D809-T812 WeakPolarHBondContact OD1-CB 3.46Å; D809-T812 PolarHBondContact OD1-N 3.37Å; D809-T812 PolarHBondContact OD1-OG1 2.82Å; D809-G813 WeakPolarHBondContact OD2-CA 3.36Å; D809-G813 PolarHBondContact OD2-N 3.08Å; D809-L816 HydrophobicContact CB-CD1 4.46Å; D809-L816 HydrophobicContact CB-CD2 3.9Å; D809-L816 HydrophobicContact CB-CG 4.29Å; D809-K845 VanDerWaalsContact CB-NZ 3.31Å; D809-K845 VanDerWaalsContact CG-NZ 3.26Å; D809-K845 IonicContact OD1-NZ 3.88Å; D809-K845 PolarHBondContact OD1-NZ 2.88Å | ||
| 810 | E | 52.4 | Low | 71.8 | Confident | 138 Ų | 138 | 49.9 Ų | 49.9 | 65% | 0.645 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -127.4 | -14.4 | 174.3 | -66.9 | -178.5 | 164.4 | 0 | 0 | 111.7 | R1045 | E810-R1045 IonicContact OE1-CZ 3.15Å; E810-R1045 IonicContact OE1-NH1 2.7Å; E810-R1045 PolarHBondContact OE1-NH1 3.23Å; E810-R1045 IonicContact OE1-NH2 2.69Å; E810-R1045 PolarHBondContact OE1-NH2 3.33Å; E810-R1045 IonicContact OE2-NH1 3.99Å |
| 811 | E | 52.1 | Low | 72 | Confident | 187 Ų | 187 | 49 Ų | 49 | 87% | 0.874 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -143.4 | -7.2 | -171.1 | -63.1 | -173.7 | 143.4 | 0 | 0 | 115.6 | ||
| 812 | T | 52 | Low | 72.1 | Confident | 75 Ų | 75 | 54.2 Ų | 54.2 | 46% | 0.46 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -120.8 | -11.3 | -161.6 | 63.8 | 0 | 0 | 0 | 0 | 117.5 | D809 Y814 K845 | D809-T812 WeakPolarHBondContact OD1-CA 2.97Å; D809-T812 WeakPolarHBondContact OD1-CB 3.46Å; D809-T812 PolarHBondContact OD1-N 3.37Å; D809-T812 PolarHBondContact OD1-OG1 2.82Å; T812-Y814 PolarHBondContact O-N 3.44Å; T812-Y814 VanDerWaalsContact O-N 3.15Å; T812-Y814 WeakPolarHBondContact OG1-CD2 3.4Å; T812-K845 PolarHBondContact OG1-NZ 2.9Å |
| 813 | G | 59 | Low | 72.5 | Confident | 70 Ų | 70 | 53.6 Ų | 53.6 | 72% | 0.722 | 28% | 0.282 | S | S | * | . | trans | 73.3 | 0.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | D809 | D809-G813 WeakPolarHBondContact OD2-CA 3.36Å; D809-G813 PolarHBondContact OD2-N 3.08Å | ||
| 814 | Y | 60.8 | Low | 72.9 | Confident | 77 Ų | 77 | 53.9 Ų | 53.9 | 30% | 0.302 | 28% | 0.284 | S | S | . | . | trans | -72.1 | 138.9 | 179.6 | -70.2 | -64.7 | 0 | 0 | 0 | 112.3 | T812 L816 Q841 K845 | T812-Y814 PolarHBondContact O-N 3.44Å; T812-Y814 VanDerWaalsContact O-N 3.15Å; T812-Y814 WeakPolarHBondContact OG1-CD2 3.4Å; Y814-L816 PolarHBondContact O-N 3.25Å; Y814-Q841 HydrophobicContact CD1-CB 3.8Å; Y814-Q841 HydrophobicContact CD1-CG 4Å; Y814-Q841 HydrophobicContact CE1-CB 4.21Å; Y814-Q841 HydrophobicContact CE1-CG 4.01Å; Y814-K845 HydrophobicContact CD2-CD 3.86Å; Y814-K845 HydrophobicContact CG-CD 4.21Å | ||
| 815 | P | 70.2 | Confident | 73.2 | Confident | 16 Ų | 16 | 61.6 Ų | 61.6 | 10% | 0.104 | 32% | 0.319 | C | S | . | . | trans | -70.8 | 115.3 | -173.3 | 29.2 | -35.3 | 0 | 0 | 0 | 112.5 | I819 I820 D838 | P815-I819 HydrophobicContact CB-CG2 4.36Å; P815-I820 HydrophobicContact CB-CD1 4.32Å; P815-I820 HydrophobicContact CB-CG1 3.84Å; P815-I820 HydrophobicContact CG-CD1 4.34Å; P815-I820 HydrophobicContact CG-CG1 4.32Å; P815-D838 HydrophobicContact CB-CB 4.48Å; P815-D838 HydrophobicContact CG-CB 3.7Å | ||
| 816 | L | 81.6 | Confident | 73.8 | Confident | 42 Ų | 42 | 66.1 Ų | 66.1 | 22% | 0.22 | 34% | 0.337 | C | S | . | . | trans | -63 | 154.4 | 173.1 | -59.4 | -179.7 | 0 | 0 | 0 | 112 | V807 D809 Y814 D818 I819 I820 | V807-L816 WeakPolarHBondContact O-CD2 3.44Å; D809-L816 HydrophobicContact CB-CD1 4.46Å; D809-L816 HydrophobicContact CB-CD2 3.9Å; D809-L816 HydrophobicContact CB-CG 4.29Å; Y814-L816 PolarHBondContact O-N 3.25Å; L816-D818 VanDerWaalsContact C-N 3.25Å; L816-D818 PolarHBondContact O-N 3.13Å; L816-D818 VanDerWaalsContact O-N 3.16Å; L816-I819 HydrophobicContact CB-CB 4.37Å; L816-I819 HydrophobicContact CB-CD1 3.94Å; L816-I819 HydrophobicContact CB-CG1 4.07Å; L816-I819 HydrophobicContact CD1-CD1 4.21Å; L816-I819 HydrophobicContact CG-CD1 4.01Å; L816-I819 CarbonylContact O-C 3.36Å; L816-I819 WeakPolarHBondContact O-CA 3.23Å; L816-I819 WeakPolarHBondContact O-CB 3.42Å; L816-I819 PolarHBondContact O-N 2.74Å; L816-I820 PolarHBondContact O-N 2.81Å | ||
| 817 | L | 86 | Confident | 75 | Confident | 4 Ų | 4 | 69.7 Ų | 69.7 | 2% | 0.021 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -52.1 | -42.2 | 179.4 | -172.7 | 64.8 | 0 | 0 | 0 | 112.9 | F786 R805 I819 I820 G821 L842 | F786-L817 HydrophobicContact CE2-CD1 3.85Å; F786-L817 HydrophobicContact CE2-CG 4.42Å; F786-L817 WeakPolarHBondContact CE2-O 3.17Å; F786-L817 HydrophobicContact CZ-CD1 4.02Å; F786-L817 HydrophobicContact CZ-CG 4.2Å; R805-L817 HydrophobicContact CG-CD2 3.88Å; L817-I819 VanDerWaalsContact C-N 3.34Å; L817-I820 PolarHBondContact O-N 3.06Å; L817-G821 PolarHBondContact O-N 2.8Å; L817-L842 HydrophobicContact CB-CD2 3.85Å; L817-L842 HydrophobicContact CD1-CD2 3.8Å; L817-L842 HydrophobicContact CG-CD2 4.41Å |
| 818 | D | 82.8 | Confident | 76.1 | Confident | 76 Ų | 76 | 71.4 Ų | 71.4 | 41% | 0.406 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -77.2 | -14.5 | 177.4 | -65.6 | -57.1 | 0 | 0 | 0 | 113.9 | R805 L816 R822 | R805-D818 IonicContact CZ-OD1 2.71Å; R805-D818 IonicContact NH1-OD1 3.77Å; R805-D818 PolarHBondContact NH1-OD1 3.42Å; R805-D818 IonicContact NH1-OD2 2.71Å; R805-D818 PolarHBondContact NH1-OD2 2.95Å; R805-D818 IonicContact NH2-OD1 3.7Å; L816-D818 VanDerWaalsContact C-N 3.25Å; L816-D818 PolarHBondContact O-N 3.13Å; L816-D818 VanDerWaalsContact O-N 3.16Å; D818-R822 WeakPolarHBondContact O-CB 3.5Å; D818-R822 VanDerWaalsContact O-CG 3.28Å; D818-R822 WeakPolarHBondContact O-CG 3.48Å; D818-R822 PolarHBondContact O-N 2.8Å; D818-R822 PolarHBondContact O-NE 2.66Å |
| 819 | I | 85.6 | Confident | 77.8 | Confident | 56 Ų | 56 | 67.5 Ų | 67.5 | 29% | 0.287 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -78.3 | -47.3 | 166.6 | -66.9 | 171.7 | 0 | 0 | 0 | 109.2 | P815 L816 L817 G821 R822 N823 | P815-I819 HydrophobicContact CB-CG2 4.36Å; L816-I819 HydrophobicContact CB-CB 4.37Å; L816-I819 HydrophobicContact CB-CD1 3.94Å; L816-I819 HydrophobicContact CB-CG1 4.07Å; L816-I819 HydrophobicContact CD1-CD1 4.21Å; L816-I819 HydrophobicContact CG-CD1 4.01Å; L816-I819 CarbonylContact O-C 3.36Å; L816-I819 WeakPolarHBondContact O-CA 3.23Å; L816-I819 WeakPolarHBondContact O-CB 3.42Å; L816-I819 PolarHBondContact O-N 2.74Å; L817-I819 VanDerWaalsContact C-N 3.34Å; I819-G821 VanDerWaalsContact C-N 3.33Å; I819-G821 PolarHBondContact O-N 3.08Å; I819-R822 PolarHBondContact O-N 2.85Å; I819-N823 WeakPolarHBondContact O-CB 3.48Å; I819-N823 VanDerWaalsContact O-CG 3.23Å; I819-N823 PolarHBondContact O-N 2.9Å; I819-N823 PolarHBondContact O-ND2 3.48Å |
| 820 | I | 89.2 | Confident | 79.6 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.2 | -45.1 | 176.2 | -57.6 | 175.2 | 0 | 0 | 0 | 110.2 | F786 P815 L816 L817 R822 N823 V824 Y829 F835 D838 M839 L842 | F786-I820 HydrophobicContact CD2-CG2 4.05Å; F786-I820 HydrophobicContact CE2-CB 4.22Å; F786-I820 HydrophobicContact CE2-CG2 4.13Å; P815-I820 HydrophobicContact CB-CD1 4.32Å; P815-I820 HydrophobicContact CB-CG1 3.84Å; P815-I820 HydrophobicContact CG-CD1 4.34Å; P815-I820 HydrophobicContact CG-CG1 4.32Å; L816-I820 PolarHBondContact O-N 2.81Å; L817-I820 PolarHBondContact O-N 3.06Å; I820-R822 PolarHBondContact O-N 2.75Å; I820-N823 WeakPolarHBondContact O-CB 3.21Å; I820-N823 PolarHBondContact O-N 2.98Å; I820-N823 VanDerWaalsContact O-N 3.12Å; I820-V824 WeakPolarHBondContact O-CG2 3.27Å; I820-V824 PolarHBondContact O-N 2.92Å; I820-Y829 HydrophobicContact CG2-CE2 4.14Å; I820-F835 HydrophobicContact CG2-CD2 4.22Å; I820-F835 HydrophobicContact CG2-CE2 3.73Å; I820-D838 HydrophobicContact CD1-CB 4.08Å; I820-D838 HydrophobicContact CG1-CB 4.24Å; I820-M839 HydrophobicContact CD1-CG 4.42Å; I820-M839 HydrophobicContact CD1-SD 3.97Å; I820-M839 HydrophobicContact CG2-CE 3.89Å; I820-M839 HydrophobicContact CG2-SD 4.31Å; I820-L842 HydrophobicContact CD1-CB 4.28Å; I820-L842 HydrophobicContact CD1-CD2 4.06Å |
| 821 | G | 89.5 | Confident | 81.5 | Confident | 18 Ų | 18 | 61.7 Ų | 61.7 | 19% | 0.186 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.7 | -44.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | F786 L817 I819 N823 V824 H825 | F786-G821 VanDerWaalsContact CE2-N 3.3Å; F786-G821 VanDerWaalsContact CZ-CA 3.48Å; L817-G821 PolarHBondContact O-N 2.8Å; I819-G821 VanDerWaalsContact C-N 3.33Å; I819-G821 PolarHBondContact O-N 3.08Å; G821-N823 VanDerWaalsContact C-N 3.34Å; G821-N823 PolarHBondContact O-N 3.19Å; G821-V824 PolarHBondContact O-N 3.04Å; G821-H825 WeakPolarHBondContact O-CB 3.48Å; G821-H825 PolarHBondContact O-N 3.28Å |
| 822 | R | 88.6 | Confident | 83.6 | Confident | 113 Ų | 113 | 52.8 Ų | 52.8 | 43% | 0.426 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62 | -39.1 | 172.2 | -79.8 | -173 | -70.2 | 163.5 | -6 | 112.3 | D818 I819 I820 H825 R826 D1091 | D818-R822 WeakPolarHBondContact O-CB 3.5Å; D818-R822 VanDerWaalsContact O-CG 3.28Å; D818-R822 WeakPolarHBondContact O-CG 3.48Å; D818-R822 PolarHBondContact O-N 2.8Å; D818-R822 PolarHBondContact O-NE 2.66Å; I819-R822 PolarHBondContact O-N 2.85Å; I820-R822 PolarHBondContact O-N 2.75Å; R822-H825 PolarHBondContact O-N 3.49Å; R822-R826 VanDerWaalsContact O-CB 3.27Å; R822-R826 WeakPolarHBondContact O-CB 3.3Å; R822-R826 WeakPolarHBondContact O-CG 3.36Å; R822-R826 PolarHBondContact O-N 2.85Å; R822-D1091 IonicContact NH1-OD1 2.88Å; R822-D1091 PolarHBondContact NH1-OD1 3.43Å |
| 823 | N | 90.1 | Very high | 85.6 | Confident | 11 Ų | 11 | 49.9 Ų | 49.9 | 6% | 0.059 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.3 | -37.6 | 179.1 | -71.9 | -29.8 | 0 | 0 | 0 | 112.8 | I819 I820 G821 K827 R828 Y829 L1100 | I819-N823 WeakPolarHBondContact O-CB 3.48Å; I819-N823 VanDerWaalsContact O-CG 3.23Å; I819-N823 PolarHBondContact O-N 2.9Å; I819-N823 PolarHBondContact O-ND2 3.48Å; I820-N823 WeakPolarHBondContact O-CB 3.21Å; I820-N823 PolarHBondContact O-N 2.98Å; I820-N823 VanDerWaalsContact O-N 3.12Å; G821-N823 VanDerWaalsContact C-N 3.34Å; G821-N823 PolarHBondContact O-N 3.19Å; N823-K827 PolarHBondContact O-N 2.92Å; N823-R828 HydrophobicContact CB-CB 4.49Å; N823-R828 PolarHBondContact O-N 3.36Å; N823-R828 PolarHBondContact OD1-NH1 3.49Å; N823-Y829 HydrophobicContact CB-CD2 4.05Å; N823-Y829 HydrophobicContact CB-CE2 3.3Å; N823-Y829 PolarHBondContact ND2-OH 3.28Å; N823-L1100 HydrophobicContact CB-CD1 3.86Å; N823-L1100 WeakPolarHBondContact ND2-CD1 3.35Å |
| 824 | V | 91 | Very high | 87.2 | Confident | 10 Ų | 10 | 48.7 Ų | 48.7 | 6% | 0.061 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.3 | -48.1 | 170.6 | 174.4 | 0 | 0 | 0 | 0 | 110.2 | F782 F786 I820 G821 R826 K827 Y829 F835 | F782-V824 HydrophobicContact CB-CG1 4.26Å; F782-V824 HydrophobicContact CB-CG2 4.46Å; F786-V824 HydrophobicContact CD2-CG2 4.46Å; I820-V824 WeakPolarHBondContact O-CG2 3.27Å; I820-V824 PolarHBondContact O-N 2.92Å; G821-V824 PolarHBondContact O-N 3.04Å; V824-R826 PolarHBondContact O-N 3.3Å; V824-K827 WeakPolarHBondContact O-CA 3.45Å; V824-K827 PolarHBondContact O-N 3.18Å; V824-Y829 HydrophobicContact CG2-CD2 3.81Å; V824-Y829 HydrophobicContact CG2-CE2 3.87Å; V824-F835 HydrophobicContact CG2-CD2 4.02Å; V824-F835 HydrophobicContact CG2-CE2 3.46Å; V824-F835 VanDerWaalsContact CG2-CE2 3.46Å; V824-F835 HydrophobicContact CG2-CZ 4.22Å |
| 825 | H | 88.4 | Confident | 88.8 | Confident | 165 Ų | 165 | 45 Ų | 45 | 76% | 0.764 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -64.3 | -42.2 | 179.8 | -169.9 | 89 | 0 | 0 | 0 | 112.9 | G821 R822 K827 | G821-H825 WeakPolarHBondContact O-CB 3.48Å; G821-H825 PolarHBondContact O-N 3.28Å; R822-H825 PolarHBondContact O-N 3.49Å; H825-K827 PolarHBondContact O-N 3.4Å |
| 826 | R | 89.2 | Confident | 90 | Very high | 146 Ų | 146 | 44.9 Ų | 44.9 | 55% | 0.551 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | 3.8 | 172.9 | -67.8 | -179.7 | 176.7 | 175.9 | 0.7 | 112.9 | R822 V824 R828 D1091 | R822-R826 VanDerWaalsContact O-CB 3.27Å; R822-R826 WeakPolarHBondContact O-CB 3.3Å; R822-R826 WeakPolarHBondContact O-CG 3.36Å; R822-R826 PolarHBondContact O-N 2.85Å; V824-R826 PolarHBondContact O-N 3.3Å; R826-R828 VanDerWaalsContact C-N 3.28Å; R826-R828 HydrophobicContact CB-CG 3.97Å; R826-R828 PolarHBondContact O-N 3.22Å; R826-D1091 IonicContact CZ-OD2 2.74Å; R826-D1091 IonicContact NH1-OD2 2.83Å; R826-D1091 PolarHBondContact NH1-OD2 3.44Å; R826-D1091 IonicContact NH2-OD2 3.57Å; R826-D1091 PolarHBondContact NH2-OD2 3.04Å |
| 827 | K | 89.5 | Confident | 90.5 | Very high | 125 Ų | 125 | 46.2 Ų | 46.2 | 54% | 0.543 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 33.7 | 179.1 | -59.4 | -176.4 | 174.7 | -175.1 | 0 | 115.6 | Q779 N823 V824 H825 | Q779-K827 HydrophobicContact CG-CB 4.38Å; Q779-K827 HydrophobicContact CG-CD 4.19Å; Q779-K827 HydrophobicContact CG-CG 4.14Å; Q779-K827 VanDerWaalsContact OE1-CA 3.25Å; N823-K827 PolarHBondContact O-N 2.92Å; V824-K827 WeakPolarHBondContact O-CA 3.45Å; V824-K827 PolarHBondContact O-N 3.18Å; H825-K827 PolarHBondContact O-N 3.4Å |
| 828 | R | 90.2 | Very high | 90.8 | Very high | 40 Ų | 40 | 46.2 Ų | 46.2 | 15% | 0.151 | 21% | 0.209 | C | C | . | . | trans | -78.3 | -33.4 | -173.8 | -63.8 | -178.1 | 70 | -147.3 | 6.9 | 113.2 | N823 R826 K830 Q1097 L1100 | N823-R828 HydrophobicContact CB-CB 4.49Å; N823-R828 PolarHBondContact O-N 3.36Å; N823-R828 PolarHBondContact OD1-NH1 3.49Å; R826-R828 VanDerWaalsContact C-N 3.28Å; R826-R828 HydrophobicContact CB-CG 3.97Å; R826-R828 PolarHBondContact O-N 3.22Å; R828-K830 PolarHBondContact O-N 2.84Å; R828-Q1097 PolarHBondContact NH2-O 3.41Å; R828-L1100 HydrophobicContact CB-CD1 4.16Å; R828-L1100 HydrophobicContact CB-CG 4.06Å; R828-L1100 PolarHBondContact O-N 2.98Å | ||
| 829 | Y | 92.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -66.3 | 127.4 | 171.1 | -62.1 | -69.3 | 0 | 0 | 0 | 110.1 | Q779 I820 N823 V824 R834 F835 D838 L1100 | Q779-Y829 PolarHBondContact NE2-O 3.02Å; I820-Y829 HydrophobicContact CG2-CE2 4.14Å; N823-Y829 HydrophobicContact CB-CD2 4.05Å; N823-Y829 HydrophobicContact CB-CE2 3.3Å; N823-Y829 PolarHBondContact ND2-OH 3.28Å; V824-Y829 HydrophobicContact CG2-CD2 3.81Å; V824-Y829 HydrophobicContact CG2-CE2 3.87Å; Y829-R834 HydrophobicContact CD1-CG 4.14Å; Y829-R834 HydrophobicContact CE1-CG 4.41Å; Y829-F835 HydrophobicContact CD1-CB 3.99Å; Y829-F835 HydrophobicContact CD1-CD2 4.43Å; Y829-F835 AromaticContact CD2-CD2 3.76Å; Y829-F835 HydrophobicContact CD2-CD2 3.76Å; Y829-F835 HydrophobicContact CE1-CD2 4.46Å; Y829-F835 AromaticContact CE2-CD2 3.78Å; Y829-F835 HydrophobicContact CE2-CD2 3.78Å; Y829-F835 HydrophobicContact CE2-CE2 4.37Å; Y829-F835 HydrophobicContact CG-CB 4.04Å; Y829-F835 HydrophobicContact CG-CD2 4.13Å; Y829-D838 HydrophobicContact CE1-CB 4.31Å; Y829-D838 WeakPolarHBondContact CE1-OD2 3.27Å; Y829-D838 VanDerWaalsContact CZ-OD2 3.29Å; Y829-D838 PolarHBondContact OH-OD2 3.43Å; Y829-L1100 HydrophobicContact CD1-CB 4.2Å; Y829-L1100 HydrophobicContact CD1-CD1 3.98Å; Y829-L1100 HydrophobicContact CE1-CB 4.34Å; Y829-L1100 HydrophobicContact CE1-CD1 3.48Å; Y829-L1100 VanDerWaalsContact CE1-CD1 3.48Å; Y829-L1100 HydrophobicContact CE2-CD1 4.34Å |
| 830 | K | 90.9 | Very high | 91.8 | Very high | 61 Ų | 61 | 41.5 Ų | 41.5 | 27% | 0.265 | 18% | 0.183 | S | C | . | . | trans | -95.8 | -40.5 | 167.6 | -65.2 | -60.7 | -175.2 | -178.3 | 0 | 112.7 | Q775 R828 I1099 E1219 | Q775-K830 HydrophobicContact CG-CD 4.38Å; Q775-K830 PolarHBondContact NE2-O 3.09Å; R828-K830 PolarHBondContact O-N 2.84Å; K830-I1099 VanDerWaalsContact CE-CD1 3.45Å; K830-I1099 HydrophobicContact CG-CD1 4.24Å; K830-I1099 HydrophobicContact CG-CG1 4.35Å; K830-I1099 HydrophobicContact CG-CG2 3.64Å; K830-E1219 HydrophobicContact CB-CG 4.35Å | ||
| 831 | R | 93.1 | Very high | 91.9 | Very high | 3 Ų | 3 | 44 Ų | 44 | 1% | 0.011 | 19% | 0.194 | C | C | . | . | trans | -108.3 | 149.8 | -173.2 | -54.2 | 170.2 | 64 | 100.3 | -2.3 | 112.9 | F782 D833 F835 E1219 D1264 E1266 | F782-R831 WeakPolarHBondContact CZ-O 3.3Å; R831-D833 WeakPolarHBondContact CB-OD1 3.21Å; R831-D833 IonicContact CZ-OD1 3.81Å; R831-D833 IonicContact CZ-OD2 2.77Å; R831-D833 IonicContact NE-OD1 2.73Å; R831-D833 PolarHBondContact NE-OD1 2.92Å; R831-D833 IonicContact NE-OD2 3.63Å; R831-D833 PolarHBondContact NE-OD2 2.92Å; R831-D833 VanDerWaalsContact NE-OD2 3.11Å; R831-D833 IonicContact NH2-OD2 3.09Å; R831-D833 PolarHBondContact NH2-OD2 3.02Å; R831-F835 PolarHBondContact O-N 3.28Å; R831-E1219 VanDerWaalsContact CD-OE1 3.3Å; R831-E1219 WeakPolarHBondContact CD-OE1 3.4Å; R831-E1219 HydrophobicContact CG-CG 4.27Å; R831-E1219 IonicContact CZ-OE1 3.52Å; R831-E1219 IonicContact NE-OE1 3.5Å; R831-E1219 IonicContact NH1-OE1 3.11Å; R831-E1219 PolarHBondContact NH1-OE1 3.16Å; R831-D1264 VanDerWaalsContact CZ-O 3.25Å; R831-D1264 PolarHBondContact NH1-O 3.4Å; R831-D1264 PolarHBondContact NH2-O 3.33Å; R831-E1266 VanDerWaalsContact CA-OE2 3.23Å; R831-E1266 WeakPolarHBondContact CA-OE2 3.33Å; R831-E1266 HydrophobicContact CB-CG 4.23Å; R831-E1266 HydrophobicContact CG-CG 4.37Å | ||
| 832 | L | 95.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -70.3 | -35.3 | 175.5 | 177.6 | 63.2 | 0 | 0 | 0 | 112.2 | F782 L785 F835 Q836 R871 T875 L881 A885 L886 E1266 | F782-L832 HydrophobicContact CD1-CD1 4.26Å; F782-L832 HydrophobicContact CE1-CB 3.89Å; F782-L832 HydrophobicContact CE1-CD1 3.96Å; F782-L832 HydrophobicContact CZ-CB 4.47Å; L785-L832 HydrophobicContact CD1-CD1 3.84Å; L832-F835 HydrophobicContact CD1-CD1 4.21Å; L832-F835 PolarHBondContact O-N 3.1Å; L832-Q836 VanDerWaalsContact O-CB 3.28Å; L832-Q836 WeakPolarHBondContact O-CB 3.45Å; L832-Q836 PolarHBondContact O-N 2.8Å; L832-R871 HydrophobicContact CD2-CG 4.15Å; L832-T875 HydrophobicContact CD2-CG2 3.61Å; L832-L881 HydrophobicContact CB-CD2 4.23Å; L832-L881 HydrophobicContact CD2-CD2 4.15Å; L832-A885 HydrophobicContact CD2-CB 4.17Å; L832-A885 HydrophobicContact CG-CB 3.92Å; L832-L886 HydrophobicContact CD2-CD2 4.43Å; L832-E1266 WeakPolarHBondContact CA-OE1 3.19Å; L832-E1266 WeakPolarHBondContact CB-OE1 3.25Å; L832-E1266 PolarHBondContact N-OE1 3.25Å; L832-E1266 PolarHBondContact N-OE2 2.75Å |
| 833 | D | 93.6 | Very high | 92.1 | Very high | 14 Ų | 14 | 37.9 Ų | 37.9 | 8% | 0.075 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.2 | -47.2 | 176 | 47.5 | 29.5 | 0 | 0 | 0 | 112.7 | R831 F835 Q836 M837 A885 M1102 E1266 | R831-D833 WeakPolarHBondContact CB-OD1 3.21Å; R831-D833 IonicContact CZ-OD1 3.81Å; R831-D833 IonicContact CZ-OD2 2.77Å; R831-D833 IonicContact NE-OD1 2.73Å; R831-D833 PolarHBondContact NE-OD1 2.92Å; R831-D833 IonicContact NE-OD2 3.63Å; R831-D833 PolarHBondContact NE-OD2 2.92Å; R831-D833 VanDerWaalsContact NE-OD2 3.11Å; R831-D833 IonicContact NH2-OD2 3.09Å; R831-D833 PolarHBondContact NH2-OD2 3.02Å; D833-F835 PolarHBondContact O-N 2.84Å; D833-Q836 PolarHBondContact O-N 3.25Å; D833-M837 WeakPolarHBondContact O-CB 3.39Å; D833-M837 PolarHBondContact O-N 3.33Å; D833-A885 HydrophobicContact CB-CB 4.11Å; D833-M1102 HydrophobicContact CB-SD 4.15Å; D833-E1266 PolarHBondContact N-OE1 3.22Å |
| 834 | R | 93.2 | Very high | 92 | Very high | 44 Ų | 44 | 40.5 Ų | 40.5 | 17% | 0.166 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.7 | -41.7 | 172.9 | -175.6 | 48.2 | 149.7 | 140.8 | -18.4 | 112.5 | Y829 M837 D838 L1100 D1101 M1102 | Y829-R834 HydrophobicContact CD1-CG 4.14Å; Y829-R834 HydrophobicContact CE1-CG 4.41Å; R834-M837 PolarHBondContact O-N 3.33Å; R834-D838 IonicContact CZ-OD1 2.67Å; R834-D838 IonicContact NH1-OD1 2.69Å; R834-D838 PolarHBondContact NH1-OD1 3.3Å; R834-D838 PolarHBondContact O-N 3.44Å; R834-D838 VanDerWaalsContact O-OD1 3.13Å; R834-L1100 HydrophobicContact CG-CB 4.33Å; R834-D1101 PolarHBondContact NE-O 2.83Å; R834-M1102 HydrophobicContact CB-CG 4.14Å |
| 835 | F | 95.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.6 | -36.9 | 175.8 | 175.7 | -115.2 | 0 | 0 | 0 | 112.8 | F782 L785 F786 I820 V824 Y829 R831 L832 D833 M839 F867 | F782-F835 HydrophobicContact CB-CD1 4.41Å; F782-F835 HydrophobicContact CB-CE1 4.33Å; F782-F835 HydrophobicContact CB-CZ 4.49Å; F782-F835 HydrophobicContact CD1-CB 4.45Å; F782-F835 AromaticContact CD1-CD1 3.84Å; F782-F835 HydrophobicContact CD1-CD1 3.84Å; F782-F835 HydrophobicContact CD1-CE1 4.39Å; F782-F835 HydrophobicContact CD1-CG 4.25Å; F782-F835 HydrophobicContact CE1-CB 4.46Å; F782-F835 HydrophobicContact CE1-CD1 4.46Å; F782-F835 HydrophobicContact CG-CD1 4.24Å; F782-F835 HydrophobicContact CG-CG 4.36Å; L785-F835 HydrophobicContact CB-CE1 3.76Å; L785-F835 HydrophobicContact CB-CZ 4.3Å; L785-F835 HydrophobicContact CD1-CD1 4.45Å; L785-F835 HydrophobicContact CD1-CE1 4.04Å; F786-F835 HydrophobicContact CB-CZ 4.25Å; I820-F835 HydrophobicContact CG2-CD2 4.22Å; I820-F835 HydrophobicContact CG2-CE2 3.73Å; V824-F835 HydrophobicContact CG2-CD2 4.02Å; V824-F835 HydrophobicContact CG2-CE2 3.46Å; V824-F835 VanDerWaalsContact CG2-CE2 3.46Å; V824-F835 HydrophobicContact CG2-CZ 4.22Å; Y829-F835 HydrophobicContact CD1-CB 3.99Å; Y829-F835 HydrophobicContact CD1-CD2 4.43Å; Y829-F835 AromaticContact CD2-CD2 3.76Å; Y829-F835 HydrophobicContact CD2-CD2 3.76Å; Y829-F835 HydrophobicContact CE1-CD2 4.46Å; Y829-F835 AromaticContact CE2-CD2 3.78Å; Y829-F835 HydrophobicContact CE2-CD2 3.78Å; Y829-F835 HydrophobicContact CE2-CE2 4.37Å; Y829-F835 HydrophobicContact CG-CB 4.04Å; Y829-F835 HydrophobicContact CG-CD2 4.13Å; R831-F835 PolarHBondContact O-N 3.28Å; L832-F835 HydrophobicContact CD1-CD1 4.21Å; L832-F835 PolarHBondContact O-N 3.1Å; D833-F835 PolarHBondContact O-N 2.84Å; F835-M839 HydrophobicContact CE2-CE 3.97Å; F835-M839 HydrophobicContact CE2-CG 4.34Å; F835-M839 HydrophobicContact CZ-CE 3.78Å; F835-M839 HydrophobicContact CZ-CG 4.34Å; F835-M839 WeakPolarHBondContact O-CG 3.36Å; F835-M839 PolarHBondContact O-N 3.05Å; F835-F867 HydrophobicContact CD1-CE2 4.33Å; F835-F867 HydrophobicContact CD1-CZ 4.31Å; F835-F867 AromaticContact CE1-CE2 3.75Å; F835-F867 HydrophobicContact CE1-CE2 3.75Å; F835-F867 HydrophobicContact CE1-CZ 4.18Å; F835-F867 HydrophobicContact CZ-CE2 4.34Å |
| 836 | Q | 95.3 | Very high | 91.6 | Very high | 14 Ų | 14 | 32.8 Ų | 32.8 | 7% | 0.065 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.7 | -40.5 | 174.1 | 175.6 | 169.2 | -72.5 | 0 | 0 | 111.8 | L832 D833 M839 F840 F867 A885 | L832-Q836 VanDerWaalsContact O-CB 3.28Å; L832-Q836 WeakPolarHBondContact O-CB 3.45Å; L832-Q836 PolarHBondContact O-N 2.8Å; D833-Q836 PolarHBondContact O-N 3.25Å; Q836-M839 PolarHBondContact O-N 3.37Å; Q836-F840 HydrophobicContact CG-CD1 3.95Å; Q836-F840 HydrophobicContact CG-CD2 3.92Å; Q836-F840 HydrophobicContact CG-CE1 3.73Å; Q836-F840 HydrophobicContact CG-CE2 3.68Å; Q836-F840 HydrophobicContact CG-CG 4.06Å; Q836-F840 HydrophobicContact CG-CZ 3.59Å; Q836-F840 WeakPolarHBondContact O-CB 3.3Å; Q836-F840 WeakPolarHBondContact O-CG 3.36Å; Q836-F840 PolarHBondContact O-N 2.82Å; Q836-F867 HydrophobicContact CB-CE1 4.13Å; Q836-F867 HydrophobicContact CB-CZ 4.16Å; Q836-F867 HydrophobicContact CG-CE1 3.89Å; Q836-F867 HydrophobicContact CG-CZ 4.4Å; Q836-A885 HydrophobicContact CB-CB 4.37Å; Q836-A885 PolarHBondContact NE2-O 2.95Å; Q836-A885 PolarHBondContact OE1-O 2.97Å |
| 837 | M | 92.4 | Very high | 91.6 | Very high | 70 Ų | 70 | 26 Ų | 26 | 35% | 0.345 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -60.2 | -48.8 | 178.5 | -176.4 | 169.3 | 65 | 0 | 0 | 111.3 | D833 R834 M839 F840 Q841 | D833-M837 WeakPolarHBondContact O-CB 3.39Å; D833-M837 PolarHBondContact O-N 3.33Å; R834-M837 PolarHBondContact O-N 3.33Å; M837-M839 VanDerWaalsContact C-N 3.32Å; M837-M839 PolarHBondContact O-N 3.25Å; M837-F840 PolarHBondContact O-N 3.41Å; M837-Q841 WeakPolarHBondContact O-CB 3.41Å; M837-Q841 VanDerWaalsContact O-CG 3.3Å; M837-Q841 WeakPolarHBondContact O-CG 3.47Å; M837-Q841 PolarHBondContact O-N 3.08Å |
| 838 | D | 92.5 | Very high | 91.3 | Very high | 4 Ų | 4 | 25.2 Ų | 25.2 | 2% | 0.021 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -58.3 | -42.8 | 176.2 | -73.4 | 33 | 0 | 0 | 0 | 111.9 | P815 I820 Y829 R834 L842 | P815-D838 HydrophobicContact CB-CB 4.48Å; P815-D838 HydrophobicContact CG-CB 3.7Å; I820-D838 HydrophobicContact CD1-CB 4.08Å; I820-D838 HydrophobicContact CG1-CB 4.24Å; Y829-D838 HydrophobicContact CE1-CB 4.31Å; Y829-D838 WeakPolarHBondContact CE1-OD2 3.27Å; Y829-D838 VanDerWaalsContact CZ-OD2 3.29Å; Y829-D838 PolarHBondContact OH-OD2 3.43Å; R834-D838 IonicContact CZ-OD1 2.67Å; R834-D838 IonicContact NH1-OD1 2.69Å; R834-D838 PolarHBondContact NH1-OD1 3.3Å; R834-D838 PolarHBondContact O-N 3.44Å; R834-D838 VanDerWaalsContact O-OD1 3.13Å; D838-L842 PolarHBondContact O-N 2.9Å; D838-L842 VanDerWaalsContact O-N 3.14Å |
| 839 | M | 94.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.7 | -42.5 | 176.2 | -77.8 | -68.2 | -163.5 | 0 | 0 | 112.9 | F786 I820 F835 Q836 M837 L842 F843 F867 | F786-M839 HydrophobicContact CB-CE 4.46Å; F786-M839 HydrophobicContact CD2-CE 3.48Å; F786-M839 VanDerWaalsContact CD2-CE 3.48Å; F786-M839 HydrophobicContact CE2-CE 4.04Å; F786-M839 HydrophobicContact CG-CE 4.33Å; I820-M839 HydrophobicContact CD1-CG 4.42Å; I820-M839 HydrophobicContact CD1-SD 3.97Å; I820-M839 HydrophobicContact CG2-CE 3.89Å; I820-M839 HydrophobicContact CG2-SD 4.31Å; F835-M839 HydrophobicContact CE2-CE 3.97Å; F835-M839 HydrophobicContact CE2-CG 4.34Å; F835-M839 HydrophobicContact CZ-CE 3.78Å; F835-M839 HydrophobicContact CZ-CG 4.34Å; F835-M839 WeakPolarHBondContact O-CG 3.36Å; F835-M839 PolarHBondContact O-N 3.05Å; Q836-M839 PolarHBondContact O-N 3.37Å; M837-M839 VanDerWaalsContact C-N 3.32Å; M837-M839 PolarHBondContact O-N 3.25Å; M839-L842 WeakPolarHBondContact O-CB 3.33Å; M839-L842 PolarHBondContact O-N 3.22Å; M839-F843 HydrophobicContact CB-CE2 4.08Å; M839-F843 WeakPolarHBondContact O-CD2 3.29Å; M839-F843 VanDerWaalsContact O-CG 3.29Å; M839-F843 WeakPolarHBondContact O-CG 3.45Å; M839-F843 PolarHBondContact O-N 3.2Å; M839-F843 HydrophobicContact SD-CZ 4.43Å; M839-F867 HydrophobicContact CB-CE2 4.15Å; M839-F867 HydrophobicContact CB-CZ 4.34Å; M839-F867 HydrophobicContact CG-CD2 4.32Å; M839-F867 HydrophobicContact CG-CE2 3.83Å; M839-F867 HydrophobicContact CG-CZ 4.37Å |
| 840 | F | 94.2 | Very high | 90 | Very high | 33 Ų | 33 | 31.7 Ų | 31.7 | 15% | 0.145 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -68 | -38.5 | 179.2 | -76.8 | 9.9 | 0 | 0 | 0 | 111.4 | Q836 M837 L842 F843 E844 Q864 F867 I868 Y888 | Q836-F840 HydrophobicContact CG-CD1 3.95Å; Q836-F840 HydrophobicContact CG-CD2 3.92Å; Q836-F840 HydrophobicContact CG-CE1 3.73Å; Q836-F840 HydrophobicContact CG-CE2 3.68Å; Q836-F840 HydrophobicContact CG-CG 4.06Å; Q836-F840 HydrophobicContact CG-CZ 3.59Å; Q836-F840 WeakPolarHBondContact O-CB 3.3Å; Q836-F840 WeakPolarHBondContact O-CG 3.36Å; Q836-F840 PolarHBondContact O-N 2.82Å; M837-F840 PolarHBondContact O-N 3.41Å; F840-L842 VanDerWaalsContact C-N 3.33Å; F840-L842 PolarHBondContact O-N 2.93Å; F840-F843 HydrophobicContact CD1-CD2 4.12Å; F840-F843 HydrophobicContact CD1-CE2 4.4Å; F840-F843 PolarHBondContact O-N 2.55Å; F840-E844 VanDerWaalsContact O-CB 3.25Å; F840-E844 WeakPolarHBondContact O-CB 3.47Å; F840-E844 PolarHBondContact O-N 2.88Å; F840-Q864 HydrophobicContact CD1-CG 4.13Å; F840-Q864 HydrophobicContact CE1-CG 3.88Å; F840-F867 AromaticContact CE1-CD1 3.78Å; F840-F867 HydrophobicContact CE1-CD1 3.78Å; F840-F867 AromaticContact CE1-CE1 3.95Å; F840-F867 HydrophobicContact CE1-CE1 3.95Å; F840-I868 HydrophobicContact CE1-CD1 4.42Å; F840-I868 HydrophobicContact CE1-CG1 4.19Å; F840-I868 HydrophobicContact CZ-CD1 4Å; F840-I868 HydrophobicContact CZ-CG1 3.93Å; F840-Y888 HydrophobicContact CD2-CE1 4.44Å; F840-Y888 AromaticContact CE2-CD1 3.48Å; F840-Y888 HydrophobicContact CE2-CD1 3.48Å; F840-Y888 VanDerWaalsContact CE2-CD1 3.48Å; F840-Y888 AromaticContact CE2-CE1 3.52Å; F840-Y888 HydrophobicContact CE2-CE1 3.52Å; F840-Y888 HydrophobicContact CE2-CG 4.17Å; F840-Y888 AromaticContact CZ-CD1 3.84Å; F840-Y888 HydrophobicContact CZ-CD1 3.84Å; F840-Y888 AromaticContact CZ-CE1 3.86Å; F840-Y888 HydrophobicContact CZ-CE1 3.86Å |
| 841 | Q | 90.7 | Very high | 88.9 | Confident | 52 Ų | 52 | 30.1 Ų | 30.1 | 24% | 0.243 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.3 | -42.1 | 171.3 | -75 | 175.9 | 0 | 0 | 0 | 112 | Y814 M837 E844 K845 | Y814-Q841 HydrophobicContact CD1-CB 3.8Å; Y814-Q841 HydrophobicContact CD1-CG 4Å; Y814-Q841 HydrophobicContact CE1-CB 4.21Å; Y814-Q841 HydrophobicContact CE1-CG 4.01Å; M837-Q841 WeakPolarHBondContact O-CB 3.41Å; M837-Q841 VanDerWaalsContact O-CG 3.3Å; M837-Q841 WeakPolarHBondContact O-CG 3.47Å; M837-Q841 PolarHBondContact O-N 3.08Å; Q841-E844 PolarHBondContact O-N 3.08Å; Q841-K845 VanDerWaalsContact O-CB 3.22Å; Q841-K845 WeakPolarHBondContact O-CB 3.28Å; Q841-K845 PolarHBondContact O-N 3.3Å |
| 842 | L | 90.8 | Very high | 87.7 | Confident | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.6 | -47.1 | 174.5 | 176.6 | 65.1 | 0 | 0 | 0 | 112.1 | L804 L817 I820 D838 M839 F840 A846 | L804-L842 HydrophobicContact CD1-CD2 4.18Å; L804-L842 HydrophobicContact CD1-CG 4.37Å; L817-L842 HydrophobicContact CB-CD2 3.85Å; L817-L842 HydrophobicContact CD1-CD2 3.8Å; L817-L842 HydrophobicContact CG-CD2 4.41Å; I820-L842 HydrophobicContact CD1-CB 4.28Å; I820-L842 HydrophobicContact CD1-CD2 4.06Å; D838-L842 PolarHBondContact O-N 2.9Å; D838-L842 VanDerWaalsContact O-N 3.14Å; M839-L842 WeakPolarHBondContact O-CB 3.33Å; M839-L842 PolarHBondContact O-N 3.22Å; F840-L842 VanDerWaalsContact C-N 3.33Å; F840-L842 PolarHBondContact O-N 2.93Å; L842-A846 WeakPolarHBondContact O-CB 3.16Å; L842-A846 PolarHBondContact O-N 3.25Å |
| 843 | F | 92.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.9 | -39 | 178.3 | -57.3 | -45.3 | 0 | 0 | 0 | 112.5 | V789 L804 M839 F840 A846 R847 L863 Q864 F867 | V789-F843 HydrophobicContact CG1-CE1 4.18Å; V789-F843 HydrophobicContact CG1-CZ 4.06Å; V789-F843 HydrophobicContact CG2-CZ 4.4Å; L804-F843 HydrophobicContact CD1-CD1 3.75Å; L804-F843 HydrophobicContact CD1-CE1 3.65Å; M839-F843 HydrophobicContact CB-CE2 4.08Å; M839-F843 WeakPolarHBondContact O-CD2 3.29Å; M839-F843 VanDerWaalsContact O-CG 3.29Å; M839-F843 WeakPolarHBondContact O-CG 3.45Å; M839-F843 PolarHBondContact O-N 3.2Å; M839-F843 HydrophobicContact SD-CZ 4.43Å; F840-F843 HydrophobicContact CD1-CD2 4.12Å; F840-F843 HydrophobicContact CD1-CE2 4.4Å; F840-F843 PolarHBondContact O-N 2.55Å; F843-A846 PolarHBondContact O-N 2.64Å; F843-R847 PolarHBondContact O-N 3.05Å; F843-L863 HydrophobicContact CD1-CB 4.25Å; F843-L863 HydrophobicContact CE1-CB 3.6Å; F843-L863 HydrophobicContact CE1-CD1 4.49Å; F843-L863 HydrophobicContact CZ-CB 4.11Å; F843-Q864 HydrophobicContact CB-CB 4.3Å; F843-Q864 HydrophobicContact CD2-CB 3.51Å; F843-Q864 HydrophobicContact CD2-CG 3.67Å; F843-Q864 HydrophobicContact CE2-CB 3.92Å; F843-Q864 HydrophobicContact CE2-CG 4.15Å; F843-Q864 HydrophobicContact CG-CB 3.94Å; F843-Q864 HydrophobicContact CG-CG 4.45Å; F843-F867 HydrophobicContact CE2-CB 4.19Å; F843-F867 HydrophobicContact CE2-CG 4.42Å; F843-F867 HydrophobicContact CZ-CB 4.39Å |
| 844 | E | 88.6 | Confident | 85.9 | Confident | 66 Ų | 66 | 37 Ų | 37 | 31% | 0.308 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -68.1 | -44.6 | 178.4 | -163.4 | -154.2 | -164.4 | 0 | 0 | 111.3 | F840 Q841 A846 R847 K848 | F840-E844 VanDerWaalsContact O-CB 3.25Å; F840-E844 WeakPolarHBondContact O-CB 3.47Å; F840-E844 PolarHBondContact O-N 2.88Å; Q841-E844 PolarHBondContact O-N 3.08Å; E844-A846 VanDerWaalsContact C-N 3.31Å; E844-A846 PolarHBondContact O-N 3.16Å; E844-R847 PolarHBondContact O-N 3.48Å; E844-R847 VanDerWaalsContact O-N 3.17Å; E844-K848 HydrophobicContact CG-CD 4.26Å; E844-K848 WeakPolarHBondContact O-CB 3.32Å; E844-K848 WeakPolarHBondContact O-CG 3.42Å; E844-K848 PolarHBondContact O-N 3.12Å; E844-K848 WeakPolarHBondContact OE1-CE 3.27Å; E844-K848 IonicContact OE1-NZ 3.37Å; E844-K848 PolarHBondContact OE1-NZ 3.11Å; E844-K848 IonicContact OE2-NZ 3.49Å; E844-K848 PolarHBondContact OE2-NZ 3.4Å |
| 845 | K | 84.6 | Confident | 85.3 | Confident | 13 Ų | 13 | 38.5 Ų | 38.5 | 6% | 0.057 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.5 | -43.8 | 172.8 | -180 | 174.5 | -179.5 | 169.6 | 0 | 111.4 | V807 L808 D809 T812 Y814 Q841 R847 K848 L849 | V807-K845 HydrophobicContact CG1-CD 4Å; V807-K845 HydrophobicContact CG1-CG 3.89Å; L808-K845 PolarHBondContact O-NZ 2.93Å; D809-K845 VanDerWaalsContact CB-NZ 3.31Å; D809-K845 VanDerWaalsContact CG-NZ 3.26Å; D809-K845 IonicContact OD1-NZ 3.88Å; D809-K845 PolarHBondContact OD1-NZ 2.88Å; T812-K845 PolarHBondContact OG1-NZ 2.9Å; Y814-K845 HydrophobicContact CD2-CD 3.86Å; Y814-K845 HydrophobicContact CG-CD 4.21Å; Q841-K845 VanDerWaalsContact O-CB 3.22Å; Q841-K845 WeakPolarHBondContact O-CB 3.28Å; Q841-K845 PolarHBondContact O-N 3.3Å; K845-R847 PolarHBondContact O-N 3.02Å; K845-K848 PolarHBondContact O-N 3.12Å; K845-L849 HydrophobicContact CD-CD1 4.4Å; K845-L849 HydrophobicContact CG-CD1 3.68Å; K845-L849 HydrophobicContact CG-CG 4.34Å; K845-L849 WeakPolarHBondContact O-CB 3.49Å; K845-L849 WeakPolarHBondContact O-CG 3.41Å; K845-L849 PolarHBondContact O-N 2.95Å |
| 846 | A | 86.2 | Confident | 84.8 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.7 | -39.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L804 V807 L842 F843 E844 H850 T856 A860 | L804-A846 HydrophobicContact CD2-CB 3.37Å; V807-A846 HydrophobicContact CG2-CB 3.97Å; L842-A846 WeakPolarHBondContact O-CB 3.16Å; L842-A846 PolarHBondContact O-N 3.25Å; F843-A846 PolarHBondContact O-N 2.64Å; E844-A846 VanDerWaalsContact C-N 3.31Å; E844-A846 PolarHBondContact O-N 3.16Å; A846-H850 PolarHBondContact O-CD2 2.9Å; A846-T856 HydrophobicContact CB-CG2 4.16Å; A846-A860 HydrophobicContact CB-CB 3.91Å |
| 847 | R | 88.3 | Confident | 84.5 | Confident | 4 Ų | 4 | 38.8 Ų | 38.8 | 2% | 0.015 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.6 | -47.9 | 173.1 | -72.9 | -168.7 | -66.4 | -87.7 | 13.3 | 112.3 | F843 E844 K845 L849 G851 F857 A860 Q864 E896 M897 | F843-R847 PolarHBondContact O-N 3.05Å; E844-R847 PolarHBondContact O-N 3.48Å; E844-R847 VanDerWaalsContact O-N 3.17Å; K845-R847 PolarHBondContact O-N 3.02Å; R847-L849 PolarHBondContact O-N 2.69Å; R847-G851 PolarHBondContact O-N 2.81Å; R847-F857 HydrophobicContact CB-CD2 3.64Å; R847-F857 HydrophobicContact CB-CE2 3.82Å; R847-F857 HydrophobicContact CG-CD2 3.71Å; R847-F857 HydrophobicContact CG-CE2 3.9Å; R847-F857 HydrophobicContact CG-CG 4.26Å; R847-A860 HydrophobicContact CG-CB 4.05Å; R847-Q864 VanDerWaalsContact CZ-OE1 3.28Å; R847-E896 IonicContact NH2-OE1 3.18Å; R847-E896 PolarHBondContact NH2-OE1 2.56Å; R847-M897 VanDerWaalsContact CD-SD 3.53Å |
| 848 | K | 82.9 | Confident | 84.4 | Confident | 108 Ų | 108 | 38.7 Ų | 38.7 | 47% | 0.47 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.5 | -42.6 | -179.1 | -76.3 | 172.9 | 176.6 | 167.4 | 0 | 112.7 | E844 K845 | E844-K848 HydrophobicContact CG-CD 4.26Å; E844-K848 WeakPolarHBondContact O-CB 3.32Å; E844-K848 WeakPolarHBondContact O-CG 3.42Å; E844-K848 PolarHBondContact O-N 3.12Å; E844-K848 WeakPolarHBondContact OE1-CE 3.27Å; E844-K848 IonicContact OE1-NZ 3.37Å; E844-K848 PolarHBondContact OE1-NZ 3.11Å; E844-K848 IonicContact OE2-NZ 3.49Å; E844-K848 PolarHBondContact OE2-NZ 3.4Å; K845-K848 PolarHBondContact O-N 3.12Å |
| 849 | L | 80 | Confident | 84.3 | Confident | 104 Ų | 104 | 38.6 Ų | 38.6 | 55% | 0.545 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -75.4 | -26.9 | -175.1 | -74 | 169.8 | 0 | 0 | 0 | 115 | V807 K845 R847 | V807-L849 HydrophobicContact CG1-CD1 3.77Å; K845-L849 HydrophobicContact CD-CD1 4.4Å; K845-L849 HydrophobicContact CG-CD1 3.68Å; K845-L849 HydrophobicContact CG-CG 4.34Å; K845-L849 WeakPolarHBondContact O-CB 3.49Å; K845-L849 WeakPolarHBondContact O-CG 3.41Å; K845-L849 PolarHBondContact O-N 2.95Å; R847-L849 PolarHBondContact O-N 2.69Å |
| 850 | H | 75.7 | Confident | 84.1 | Confident | 73 Ų | 73 | 38.6 Ų | 38.6 | 34% | 0.338 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -114.2 | -18.3 | -171.3 | -65.5 | -74.3 | 0 | 0 | 0 | 114.8 | A846 S854 T856 | A846-H850 PolarHBondContact O-CD2 2.9Å; H850-S854 WeakPolarHBondContact CB-OG 3.42Å; H850-S854 VanDerWaalsContact O-CB 3.31Å; H850-S854 WeakPolarHBondContact O-CB 3.22Å; H850-S854 PolarHBondContact O-OG 2.87Å; H850-S854 VanDerWaalsContact O-OG 3.13Å; H850-T856 VanDerWaalsContact CD2-CB 3.47Å; H850-T856 WeakPolarHBondContact CD2-CB 3.12Å; H850-T856 WeakPolarHBondContact CD2-CG2 3.35Å |
| 851 | G | 68 | Low | 84.1 | Confident | 28 Ų | 28 | 37.7 Ų | 37.7 | 29% | 0.289 | 21% | 0.214 | S | C | . | . | trans | 74.9 | 160.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | R847 G853 S854 F857 | R847-G851 PolarHBondContact O-N 2.81Å; G851-G853 PolarHBondContact O-N 2.89Å; G851-S854 WeakPolarHBondContact O-CB 3.31Å; G851-S854 PolarHBondContact O-N 3.07Å; G851-S854 PolarHBondContact O-OG 3.16Å; G851-F857 WeakPolarHBondContact O-CB 3.26Å; G851-F857 WeakPolarHBondContact O-CG 3.38Å | ||
| 852 | C | 68.1 | Low | 84.2 | Confident | 65 Ų | 65 | 38.5 Ų | 38.5 | 44% | 0.439 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 130 | -176.8 | -170.7 | 0 | 0 | 0 | 0 | 111.5 | F857 | C852-F857 HydrophobicContact CB-CE1 4.25Å; C852-F857 HydrophobicContact CB-CE2 4.41Å; C852-F857 HydrophobicContact CB-CZ 4.12Å |
| 853 | G | 69 | Low | 84.3 | Confident | 69 Ų | 69 | 38.4 Ų | 38.4 | 71% | 0.711 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 90.1 | 0.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | G851 | G851-G853 PolarHBondContact O-N 2.89Š|
| 854 | S | 81.4 | Confident | 84.5 | Confident | 28 Ų | 28 | 38.5 Ų | 38.5 | 20% | 0.196 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -84.7 | 151.3 | 168 | 66.5 | 0 | 0 | 0 | 0 | 111.9 | H850 G851 T856 F857 E858 | H850-S854 WeakPolarHBondContact CB-OG 3.42Å; H850-S854 VanDerWaalsContact O-CB 3.31Å; H850-S854 WeakPolarHBondContact O-CB 3.22Å; H850-S854 PolarHBondContact O-OG 2.87Å; H850-S854 VanDerWaalsContact O-OG 3.13Å; G851-S854 WeakPolarHBondContact O-CB 3.31Å; G851-S854 PolarHBondContact O-N 3.07Å; G851-S854 PolarHBondContact O-OG 3.16Å; S854-T856 VanDerWaalsContact C-N 3.33Å; S854-T856 PolarHBondContact O-N 2.87Å; S854-F857 PolarHBondContact O-N 3.4Å; S854-F857 VanDerWaalsContact O-N 3.17Å; S854-F857 WeakPolarHBondContact OG-CB 3.41Å; S854-F857 PolarHBondContact OG-N 3.35Å; S854-E858 PolarHBondContact O-N 2.83Å |
| 855 | Q | 81.5 | Confident | 84.8 | Confident | 75 Ų | 75 | 35.8 Ų | 35.8 | 35% | 0.35 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -58.5 | -44.4 | 177.7 | -170.2 | 66 | 61.3 | 0 | 0 | 111.5 | F857 E858 D859 K1050 | Q855-F857 VanDerWaalsContact C-N 3.28Å; Q855-F857 PolarHBondContact O-N 2.93Å; Q855-E858 PolarHBondContact O-N 3.39Å; Q855-D859 PolarHBondContact NE2-OD1 3.13Å; Q855-D859 WeakPolarHBondContact O-CB 3.3Å; Q855-D859 PolarHBondContact O-N 3.38Å; Q855-K1050 HydrophobicContact CG-CB 4.26Å |
| 856 | T | 84.4 | Confident | 85.3 | Confident | 19 Ų | 19 | 36 Ų | 36 | 12% | 0.117 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.8 | -32.4 | 178.3 | -43.7 | 0 | 0 | 0 | 0 | 113.3 | V807 A846 H850 S854 A860 | V807-T856 HydrophobicContact CG2-CG2 4.07Å; A846-T856 HydrophobicContact CB-CG2 4.16Å; H850-T856 VanDerWaalsContact CD2-CB 3.47Å; H850-T856 WeakPolarHBondContact CD2-CB 3.12Å; H850-T856 WeakPolarHBondContact CD2-CG2 3.35Å; S854-T856 VanDerWaalsContact C-N 3.33Å; S854-T856 PolarHBondContact O-N 2.87Å; T856-A860 VanDerWaalsContact O-CB 3.27Å; T856-A860 WeakPolarHBondContact O-CB 3.49Å; T856-A860 PolarHBondContact O-N 3.02Å |
| 857 | F | 88.7 | Confident | 85.8 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 0% | 0.004 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -69.9 | -47 | 177 | 177.7 | -82.6 | 0 | 0 | 0 | 111.5 | R847 G851 C852 S854 Q855 A860 I861 Y900 | R847-F857 HydrophobicContact CB-CD2 3.64Å; R847-F857 HydrophobicContact CB-CE2 3.82Å; R847-F857 HydrophobicContact CG-CD2 3.71Å; R847-F857 HydrophobicContact CG-CE2 3.9Å; R847-F857 HydrophobicContact CG-CG 4.26Å; G851-F857 WeakPolarHBondContact O-CB 3.26Å; G851-F857 WeakPolarHBondContact O-CG 3.38Å; C852-F857 HydrophobicContact CB-CE1 4.25Å; C852-F857 HydrophobicContact CB-CE2 4.41Å; C852-F857 HydrophobicContact CB-CZ 4.12Å; S854-F857 PolarHBondContact O-N 3.4Å; S854-F857 VanDerWaalsContact O-N 3.17Å; S854-F857 WeakPolarHBondContact OG-CB 3.41Å; S854-F857 PolarHBondContact OG-N 3.35Å; Q855-F857 VanDerWaalsContact C-N 3.28Å; Q855-F857 PolarHBondContact O-N 2.93Å; F857-A860 PolarHBondContact O-N 3.41Å; F857-I861 HydrophobicContact CD1-CD1 3.85Å; F857-I861 HydrophobicContact CE1-CD1 3.4Å; F857-I861 HydrophobicContact CZ-CD1 4.02Å; F857-I861 WeakPolarHBondContact O-CG1 3.33Å; F857-I861 PolarHBondContact O-N 3.38Å; F857-I861 VanDerWaalsContact O-N 3.17Å; F857-Y900 AromaticContact CE2-CD1 3.98Å; F857-Y900 HydrophobicContact CE2-CD1 3.98Å; F857-Y900 AromaticContact CE2-CE1 3.66Å; F857-Y900 HydrophobicContact CE2-CE1 3.66Å; F857-Y900 HydrophobicContact CZ-CD1 4.04Å; F857-Y900 HydrophobicContact CZ-CE1 4.18Å |
| 858 | E | 89.3 | Confident | 86.2 | Confident | 69 Ų | 69 | 36 Ų | 36 | 32% | 0.322 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -69.9 | -36.9 | 177.3 | -60.6 | -61.8 | 137.7 | 0 | 0 | 111.8 | S854 Q855 A860 I861 E862 R901 | S854-E858 PolarHBondContact O-N 2.83Å; Q855-E858 PolarHBondContact O-N 3.39Å; E858-A860 VanDerWaalsContact C-N 3.33Å; E858-A860 PolarHBondContact O-N 3.3Å; E858-I861 PolarHBondContact O-N 2.94Å; E858-I861 VanDerWaalsContact O-N 3.12Å; E858-E862 PolarHBondContact O-N 3.5Å; E858-R901 IonicContact OE1-CZ 2.66Å; E858-R901 IonicContact OE1-NH2 2.99Å; E858-R901 PolarHBondContact OE1-NH2 3.31Å; E858-R901 IonicContact OE2-NH2 2.72Å; E858-R901 PolarHBondContact OE2-NH2 3.38Å |
| 859 | D | 90.4 | Very high | 86.8 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.8 | -39.7 | 173.4 | -67.4 | -10.7 | 0 | 0 | 0 | 111.7 | Y798 Y800 S803 Q855 I861 E862 L863 | Y798-D859 PolarHBondContact OH-OD2 2.9Å; Y798-D859 VanDerWaalsContact OH-OD2 3.14Å; Y800-D859 HydrophobicContact CD1-CB 4.15Å; Y800-D859 VanDerWaalsContact CD1-OD1 3.29Å; Y800-D859 WeakPolarHBondContact CD1-OD1 3.25Å; S803-D859 WeakPolarHBondContact CB-OD2 3.37Å; S803-D859 PolarHBondContact OG-OD2 3.19Å; Q855-D859 PolarHBondContact NE2-OD1 3.13Å; Q855-D859 WeakPolarHBondContact O-CB 3.3Å; Q855-D859 PolarHBondContact O-N 3.38Å; D859-I861 VanDerWaalsContact C-N 3.29Å; D859-I861 PolarHBondContact O-N 3.09Å; D859-E862 PolarHBondContact O-N 3.14Å; D859-L863 WeakPolarHBondContact O-CB 3.43Å; D859-L863 VanDerWaalsContact O-CG 3.26Å; D859-L863 WeakPolarHBondContact O-CG 3.43Å; D859-L863 PolarHBondContact O-N 2.95Å |
| 860 | A | 91.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.4 | -28.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L804 A846 R847 T856 F857 E858 Q864 | L804-A860 HydrophobicContact CD2-CB 4.22Å; A846-A860 HydrophobicContact CB-CB 3.91Å; R847-A860 HydrophobicContact CG-CB 4.05Å; T856-A860 VanDerWaalsContact O-CB 3.27Å; T856-A860 WeakPolarHBondContact O-CB 3.49Å; T856-A860 PolarHBondContact O-N 3.02Å; F857-A860 PolarHBondContact O-N 3.41Å; E858-A860 VanDerWaalsContact C-N 3.33Å; E858-A860 PolarHBondContact O-N 3.3Å; A860-Q864 WeakPolarHBondContact O-CB 3.35Å; A860-Q864 PolarHBondContact O-N 2.94Å; A860-Q864 VanDerWaalsContact O-N 3.13Å |
| 861 | I | 92.5 | Very high | 88.5 | Confident | 15 Ų | 15 | 29.4 Ų | 29.4 | 8% | 0.077 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -73.2 | -46.2 | 173.8 | -69.7 | 172.9 | 0 | 0 | 0 | 111 | F857 E858 D859 Q864 T865 F893 M897 | F857-I861 HydrophobicContact CD1-CD1 3.85Å; F857-I861 HydrophobicContact CE1-CD1 3.4Å; F857-I861 HydrophobicContact CZ-CD1 4.02Å; F857-I861 WeakPolarHBondContact O-CG1 3.33Å; F857-I861 PolarHBondContact O-N 3.38Å; F857-I861 VanDerWaalsContact O-N 3.17Å; E858-I861 PolarHBondContact O-N 2.94Å; E858-I861 VanDerWaalsContact O-N 3.12Å; D859-I861 VanDerWaalsContact C-N 3.29Å; D859-I861 PolarHBondContact O-N 3.09Å; I861-Q864 PolarHBondContact O-N 3.3Å; I861-T865 WeakPolarHBondContact O-CB 3.43Å; I861-T865 PolarHBondContact O-N 2.93Å; I861-T865 PolarHBondContact O-OG1 3.01Å; I861-F893 HydrophobicContact CB-CZ 4.33Å; I861-F893 HydrophobicContact CG1-CZ 4.19Å; I861-F893 HydrophobicContact CG2-CE1 4.06Å; I861-F893 HydrophobicContact CG2-CZ 4.14Å; I861-M897 HydrophobicContact CD1-CG 4.31Å; I861-M897 HydrophobicContact CD1-SD 3.89Å; I861-M897 HydrophobicContact CG1-CG 4.35Å; I861-M897 HydrophobicContact CG1-SD 3.88Å |
| 862 | E | 93.1 | Very high | 89.7 | Confident | 68 Ų | 68 | 29 Ų | 29 | 32% | 0.318 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -58.2 | -49.7 | 175.3 | 177.5 | 67.1 | -172.8 | 0 | 0 | 110.7 | H792 Y800 E858 D859 Q864 T865 V866 | H792-E862 IonicContact CD2-OE1 2.68Å; H792-E862 IonicContact CE1-OE1 2.76Å; H792-E862 IonicContact NE2-OE1 3.4Å; H792-E862 PolarHBondContact NE2-OE1 2.65Å; Y800-E862 HydrophobicContact CD1-CB 4.18Å; Y800-E862 HydrophobicContact CD1-CG 4.01Å; Y800-E862 HydrophobicContact CD2-CG 4.36Å; Y800-E862 HydrophobicContact CE1-CB 4.16Å; Y800-E862 HydrophobicContact CE1-CG 3.81Å; Y800-E862 HydrophobicContact CE2-CG 4.18Å; Y800-E862 HydrophobicContact CG-CG 4.28Å; E858-E862 PolarHBondContact O-N 3.5Å; D859-E862 PolarHBondContact O-N 3.14Å; E862-Q864 PolarHBondContact O-N 3.4Å; E862-T865 WeakPolarHBondContact O-CB 3.38Å; E862-T865 PolarHBondContact O-N 3.19Å; E862-V866 WeakPolarHBondContact O-CG2 3.48Å; E862-V866 PolarHBondContact O-N 2.83Å |
| 863 | L | 94.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66 | -38.2 | -178.4 | -70.6 | 173.9 | 0 | 0 | 0 | 113.5 | V789 H792 L804 F843 D859 V866 F867 | V789-L863 HydrophobicContact CG1-CB 4.47Å; V789-L863 HydrophobicContact CG1-CD2 4.12Å; V789-L863 WeakPolarHBondContact O-CD2 3.44Å; H792-L863 HydrophobicContact CB-CD2 3.88Å; L804-L863 HydrophobicContact CD1-CD1 3.46Å; L804-L863 VanDerWaalsContact CD1-CD1 3.46Å; L804-L863 HydrophobicContact CG-CD1 3.93Å; F843-L863 HydrophobicContact CD1-CB 4.25Å; F843-L863 HydrophobicContact CE1-CB 3.6Å; F843-L863 HydrophobicContact CE1-CD1 4.49Å; F843-L863 HydrophobicContact CZ-CB 4.11Å; D859-L863 WeakPolarHBondContact O-CB 3.43Å; D859-L863 VanDerWaalsContact O-CG 3.26Å; D859-L863 WeakPolarHBondContact O-CG 3.43Å; D859-L863 PolarHBondContact O-N 2.95Å; L863-V866 PolarHBondContact O-N 3.43Å; L863-F867 WeakPolarHBondContact O-CB 3.48Å; L863-F867 PolarHBondContact O-N 2.96Å |
| 864 | Q | 95.6 | Very high | 92 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.009 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -68 | -37.9 | 174.3 | -170.6 | 166.3 | -6.8 | 0 | 0 | 111.5 | F840 F843 R847 A860 I861 E862 F867 I868 F893 | F840-Q864 HydrophobicContact CD1-CG 4.13Å; F840-Q864 HydrophobicContact CE1-CG 3.88Å; F843-Q864 HydrophobicContact CB-CB 4.3Å; F843-Q864 HydrophobicContact CD2-CB 3.51Å; F843-Q864 HydrophobicContact CD2-CG 3.67Å; F843-Q864 HydrophobicContact CE2-CB 3.92Å; F843-Q864 HydrophobicContact CE2-CG 4.15Å; F843-Q864 HydrophobicContact CG-CB 3.94Å; F843-Q864 HydrophobicContact CG-CG 4.45Å; R847-Q864 VanDerWaalsContact CZ-OE1 3.28Å; A860-Q864 WeakPolarHBondContact O-CB 3.35Å; A860-Q864 PolarHBondContact O-N 2.94Å; A860-Q864 VanDerWaalsContact O-N 3.13Å; I861-Q864 PolarHBondContact O-N 3.3Å; E862-Q864 PolarHBondContact O-N 3.4Å; Q864-F867 PolarHBondContact O-N 2.93Å; Q864-I868 HydrophobicContact CG-CD1 4.07Å; Q864-I868 VanDerWaalsContact O-CG1 3.29Å; Q864-I868 WeakPolarHBondContact O-CG1 3.44Å; Q864-I868 PolarHBondContact O-N 2.77Å; Q864-F893 HydrophobicContact CB-CE1 4.12Å; Q864-F893 HydrophobicContact CB-CE2 4.25Å; Q864-F893 HydrophobicContact CB-CZ 3.83Å; Q864-F893 VanDerWaalsContact CD-CE2 3.41Å; Q864-F893 HydrophobicContact CG-CD2 4.23Å; Q864-F893 HydrophobicContact CG-CE1 4.31Å; Q864-F893 HydrophobicContact CG-CE2 3.99Å; Q864-F893 HydrophobicContact CG-CZ 4.03Å; Q864-F893 VanDerWaalsContact OE1-CE2 3.28Å |
| 865 | T | 95.4 | Very high | 92.5 | Very high | 10 Ų | 10 | 27.7 Ų | 27.7 | 6% | 0.061 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.1 | -49.8 | 174.1 | -53.9 | 0 | 0 | 0 | 0 | 110.8 | I861 E862 F867 I868 Q869 F893 H894 | I861-T865 WeakPolarHBondContact O-CB 3.43Å; I861-T865 PolarHBondContact O-N 2.93Å; I861-T865 PolarHBondContact O-OG1 3.01Å; E862-T865 WeakPolarHBondContact O-CB 3.38Å; E862-T865 PolarHBondContact O-N 3.19Å; T865-F867 PolarHBondContact O-N 3.39Å; T865-I868 PolarHBondContact O-N 3.36Å; T865-Q869 WeakPolarHBondContact O-CG 3.39Å; T865-Q869 PolarHBondContact O-N 2.82Å; T865-F893 WeakPolarHBondContact OG1-CE1 3.49Å; T865-H894 PolarHBondContact OG1-NE2 3.48Å |
| 866 | V | 94.6 | Very high | 92.9 | Very high | 18 Ų | 18 | 25.1 Ų | 25.1 | 11% | 0.109 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.3 | -41.3 | 178 | 169.2 | 0 | 0 | 0 | 0 | 111.7 | T788 E862 L863 K870 | T788-V866 HydrophobicContact CG2-CG1 3.95Å; E862-V866 WeakPolarHBondContact O-CG2 3.48Å; E862-V866 PolarHBondContact O-N 2.83Å; L863-V866 PolarHBondContact O-N 3.43Å; V866-K870 WeakPolarHBondContact O-CB 3.47Å; V866-K870 PolarHBondContact O-N 3.08Å |
| 867 | F | 97.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 0% | 0.004 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.5 | -50.5 | 173.9 | 178.8 | -86.9 | 0 | 0 | 0 | 111.3 | L785 V789 F835 Q836 M839 F840 F843 L863 Q864 T865 K870 R871 | L785-F867 HydrophobicContact CB-CE2 4.38Å; V789-F867 HydrophobicContact CG2-CB 3.98Å; V789-F867 HydrophobicContact CG2-CD2 3.88Å; V789-F867 HydrophobicContact CG2-CG 4.43Å; F835-F867 HydrophobicContact CD1-CE2 4.33Å; F835-F867 HydrophobicContact CD1-CZ 4.31Å; F835-F867 AromaticContact CE1-CE2 3.75Å; F835-F867 HydrophobicContact CE1-CE2 3.75Å; F835-F867 HydrophobicContact CE1-CZ 4.18Å; F835-F867 HydrophobicContact CZ-CE2 4.34Å; Q836-F867 HydrophobicContact CB-CE1 4.13Å; Q836-F867 HydrophobicContact CB-CZ 4.16Å; Q836-F867 HydrophobicContact CG-CE1 3.89Å; Q836-F867 HydrophobicContact CG-CZ 4.4Å; M839-F867 HydrophobicContact CB-CE2 4.15Å; M839-F867 HydrophobicContact CB-CZ 4.34Å; M839-F867 HydrophobicContact CG-CD2 4.32Å; M839-F867 HydrophobicContact CG-CE2 3.83Å; M839-F867 HydrophobicContact CG-CZ 4.37Å; F840-F867 AromaticContact CE1-CD1 3.78Å; F840-F867 HydrophobicContact CE1-CD1 3.78Å; F840-F867 AromaticContact CE1-CE1 3.95Å; F840-F867 HydrophobicContact CE1-CE1 3.95Å; F843-F867 HydrophobicContact CE2-CB 4.19Å; F843-F867 HydrophobicContact CE2-CG 4.42Å; F843-F867 HydrophobicContact CZ-CB 4.39Å; L863-F867 WeakPolarHBondContact O-CB 3.48Å; L863-F867 PolarHBondContact O-N 2.96Å; Q864-F867 PolarHBondContact O-N 2.93Å; T865-F867 PolarHBondContact O-N 3.39Å; F867-K870 PolarHBondContact O-N 3.24Å; F867-R871 WeakPolarHBondContact O-CB 3.3Å; F867-R871 PolarHBondContact O-N 3.01Å |
| 868 | I | 96.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.2 | -47.3 | -179.2 | -67.8 | 166 | 0 | 0 | 0 | 111.1 | F840 Q864 T865 K870 R871 D872 Y888 E890 F893 | F840-I868 HydrophobicContact CE1-CD1 4.42Å; F840-I868 HydrophobicContact CE1-CG1 4.19Å; F840-I868 HydrophobicContact CZ-CD1 4Å; F840-I868 HydrophobicContact CZ-CG1 3.93Å; Q864-I868 HydrophobicContact CG-CD1 4.07Å; Q864-I868 VanDerWaalsContact O-CG1 3.29Å; Q864-I868 WeakPolarHBondContact O-CG1 3.44Å; Q864-I868 PolarHBondContact O-N 2.77Å; T865-I868 PolarHBondContact O-N 3.36Å; I868-K870 VanDerWaalsContact C-N 3.33Å; I868-K870 PolarHBondContact O-N 3.18Å; I868-R871 WeakPolarHBondContact O-CB 3.36Å; I868-R871 PolarHBondContact O-N 3.47Å; I868-D872 WeakPolarHBondContact O-CB 3.35Å; I868-D872 PolarHBondContact O-N 2.93Å; I868-Y888 HydrophobicContact CD1-CD1 4.31Å; I868-Y888 HydrophobicContact CD1-CE1 3.97Å; I868-E890 HydrophobicContact CG2-CB 4.05Å; I868-F893 HydrophobicContact CD1-CB 3.96Å; I868-F893 HydrophobicContact CD1-CD1 4.38Å; I868-F893 HydrophobicContact CD1-CG 4.19Å |
| 869 | Q | 94.9 | Very high | 92.8 | Very high | 98 Ų | 98 | 30.6 Ų | 30.6 | 46% | 0.458 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -60.8 | -40.9 | 177.4 | -71.4 | -178.9 | 9.2 | 0 | 0 | 112.3 | T865 K873 E890 | T865-Q869 WeakPolarHBondContact O-CG 3.39Å; T865-Q869 PolarHBondContact O-N 2.82Å; Q869-K873 WeakPolarHBondContact O-CB 3.39Å; Q869-K873 PolarHBondContact O-N 3.19Å; Q869-K873 VanDerWaalsContact O-N 3.13Å; Q869-E890 WeakPolarHBondContact CG-OE1 3.44Å; Q869-E890 PolarHBondContact NE2-OE1 3.44Å |
| 870 | K | 95.9 | Very high | 92.8 | Very high | 50 Ų | 50 | 34.3 Ų | 34.3 | 22% | 0.217 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -72 | -41.6 | 179.4 | -175.6 | 61.5 | 148 | 159.2 | 0 | 111.9 | E784 L785 T788 V866 F867 I868 K873 I874 | E784-K870 IonicContact OE1-NZ 2.77Å; E784-K870 PolarHBondContact OE1-NZ 2.83Å; L785-K870 HydrophobicContact CD2-CB 4.03Å; L785-K870 HydrophobicContact CD2-CG 3.76Å; T788-K870 HydrophobicContact CG2-CB 4.24Å; T788-K870 HydrophobicContact CG2-CD 4.11Å; T788-K870 HydrophobicContact CG2-CG 3.84Å; T788-K870 WeakPolarHBondContact OG1-CE 3.44Å; V866-K870 WeakPolarHBondContact O-CB 3.47Å; V866-K870 PolarHBondContact O-N 3.08Å; F867-K870 PolarHBondContact O-N 3.24Å; I868-K870 VanDerWaalsContact C-N 3.33Å; I868-K870 PolarHBondContact O-N 3.18Å; K870-K873 PolarHBondContact O-N 3.45Å; K870-K873 VanDerWaalsContact O-N 3.16Å; K870-I874 HydrophobicContact CD-CD1 3.71Å; K870-I874 HydrophobicContact CD-CG1 4.08Å; K870-I874 HydrophobicContact CG-CD1 3.69Å; K870-I874 HydrophobicContact CG-CG1 4.38Å; K870-I874 WeakPolarHBondContact O-CG1 3.34Å; K870-I874 PolarHBondContact O-N 3.07Å |
| 871 | R | 96.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -52.7 | -56.3 | 172.7 | 178.2 | -157.9 | 73.4 | 179 | 7.7 | 110.2 | L785 L832 F867 I868 K873 I874 T875 A885 L886 Y888 | L785-R871 HydrophobicContact CD2-CB 4.02Å; L832-R871 HydrophobicContact CD2-CG 4.15Å; F867-R871 WeakPolarHBondContact O-CB 3.3Å; F867-R871 PolarHBondContact O-N 3.01Å; I868-R871 WeakPolarHBondContact O-CB 3.36Å; I868-R871 PolarHBondContact O-N 3.47Å; R871-K873 VanDerWaalsContact C-N 3.25Å; R871-K873 PolarHBondContact O-N 3.3Å; R871-I874 PolarHBondContact O-N 3.2Å; R871-I874 VanDerWaalsContact O-N 3.13Å; R871-T875 PolarHBondContact O-N 3.31Å; R871-T875 PolarHBondContact O-OG1 3.39Å; R871-T875 VanDerWaalsContact O-OG1 3.13Å; R871-A885 PolarHBondContact NH1-O 3.37Å; R871-L886 HydrophobicContact CG-CD2 3.96Å; R871-Y888 VanDerWaalsContact CZ-O 3.31Å; R871-Y888 PolarHBondContact NH1-O 2.94Å; R871-Y888 PolarHBondContact NH2-O 3.38Å |
| 872 | D | 94.1 | Very high | 92.9 | Very high | 18 Ų | 18 | 38.2 Ų | 38.2 | 10% | 0.096 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.6 | -33.1 | 178.3 | -88 | 33.5 | 0 | 0 | 0 | 113.3 | I868 N876 R877 | I868-D872 WeakPolarHBondContact O-CB 3.35Å; I868-D872 PolarHBondContact O-N 2.93Å; D872-N876 CarbonylContact O-C 3.56Å; D872-N876 VanDerWaalsContact O-CA 3.26Å; D872-N876 WeakPolarHBondContact O-CA 3.43Å; D872-N876 PolarHBondContact O-N 3.31Å; D872-R877 HydrophobicContact CB-CG 3.96Å; D872-R877 PolarHBondContact O-N 2.77Å; D872-R877 IonicContact OD2-CZ 3.75Å; D872-R877 IonicContact OD2-NE 2.84Å; D872-R877 PolarHBondContact OD2-NE 3.34Å; D872-R877 IonicContact OD2-NH2 2.59Å |
| 873 | K | 93 | Very high | 92.9 | Very high | 121 Ų | 121 | 35.1 Ų | 35.1 | 53% | 0.526 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -73.3 | -38.4 | 175.9 | -167.9 | 172.4 | -172.8 | 173.2 | 0 | 112.5 | E477 Q869 K870 R871 | E477-K873 WeakPolarHBondContact OE2-CE 3.38Å; E477-K873 IonicContact OE2-NZ 3.47Å; E477-K873 PolarHBondContact OE2-NZ 2.82Å; Q869-K873 WeakPolarHBondContact O-CB 3.39Å; Q869-K873 PolarHBondContact O-N 3.19Å; Q869-K873 VanDerWaalsContact O-N 3.13Å; K870-K873 PolarHBondContact O-N 3.45Å; K870-K873 VanDerWaalsContact O-N 3.16Å; R871-K873 VanDerWaalsContact C-N 3.25Å; R871-K873 PolarHBondContact O-N 3.3Å |
| 874 | I | 92.2 | Very high | 92.7 | Very high | 13 Ų | 13 | 37.6 Ų | 37.6 | 7% | 0.067 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -80.7 | -43.1 | -176.4 | -68.1 | 171.2 | 0 | 0 | 0 | 112.1 | M781 E784 L785 K870 R871 N876 W880 | M781-I874 HydrophobicContact CB-CG2 3.7Å; M781-I874 HydrophobicContact CG-CG2 3.46Å; M781-I874 VanDerWaalsContact CG-CG2 3.46Å; M781-I874 HydrophobicContact SD-CG2 3.78Å; E784-I874 HydrophobicContact CB-CD1 3.91Å; E784-I874 VanDerWaalsContact CD-CD1 3.41Å; E784-I874 HydrophobicContact CG-CD1 3.65Å; E784-I874 WeakPolarHBondContact OE1-CD1 3.5Å; L785-I874 HydrophobicContact CD2-CD1 4.02Å; L785-I874 HydrophobicContact CG-CD1 3.99Å; K870-I874 HydrophobicContact CD-CD1 3.71Å; K870-I874 HydrophobicContact CD-CG1 4.08Å; K870-I874 HydrophobicContact CG-CD1 3.69Å; K870-I874 HydrophobicContact CG-CG1 4.38Å; K870-I874 WeakPolarHBondContact O-CG1 3.34Å; K870-I874 PolarHBondContact O-N 3.07Å; R871-I874 PolarHBondContact O-N 3.2Å; R871-I874 VanDerWaalsContact O-N 3.13Å; I874-N876 PolarHBondContact O-N 2.97Å; I874-W880 VanDerWaalsContact O-CE3 3.24Å |
| 875 | T | 91.6 | Very high | 92.5 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -12.5 | 171.1 | 66.4 | 0 | 0 | 0 | 0 | 112.4 | L832 R871 R877 G878 E879 W880 L881 L886 | L832-T875 HydrophobicContact CD2-CG2 3.61Å; R871-T875 PolarHBondContact O-N 3.31Å; R871-T875 PolarHBondContact O-OG1 3.39Å; R871-T875 VanDerWaalsContact O-OG1 3.13Å; T875-R877 VanDerWaalsContact C-N 3.27Å; T875-R877 PolarHBondContact O-N 2.64Å; T875-R877 PolarHBondContact OG1-N 3.07Å; T875-G878 PolarHBondContact O-N 3.28Å; T875-E879 PolarHBondContact O-N 3.31Å; T875-W880 PolarHBondContact O-N 3.09Å; T875-L881 HydrophobicContact CG2-CB 4.16Å; T875-L881 HydrophobicContact CG2-CD2 4.34Å; T875-L886 HydrophobicContact CG2-CD2 4.14Å |
| 876 | N | 90.7 | Very high | 92.4 | Very high | 21 Ų | 21 | 38.6 Ų | 38.6 | 11% | 0.112 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 48.7 | -167.2 | -172.7 | 41.2 | 0 | 0 | 0 | 111.3 | K478 D872 I874 G878 E879 W880 | K478-N876 PolarHBondContact NZ-OD1 2.7Å; D872-N876 CarbonylContact O-C 3.56Å; D872-N876 VanDerWaalsContact O-CA 3.26Å; D872-N876 WeakPolarHBondContact O-CA 3.43Å; D872-N876 PolarHBondContact O-N 3.31Å; I874-N876 PolarHBondContact O-N 2.97Å; N876-G878 VanDerWaalsContact C-N 3.3Å; N876-G878 PolarHBondContact O-N 2.89Å; N876-E879 HydrophobicContact CB-CB 4.29Å; N876-E879 WeakPolarHBondContact ND2-CB 3.31Å; N876-E879 VanDerWaalsContact ND2-CD 3.35Å; N876-E879 PolarHBondContact ND2-OE2 2.8Å; N876-E879 WeakPolarHBondContact O-CB 3.4Å; N876-E879 PolarHBondContact O-N 2.81Å; N876-W880 HydrophobicContact CB-CD2 3.86Å; N876-W880 HydrophobicContact CB-CE3 4.06Å; N876-W880 HydrophobicContact CB-CG 4.24Å; N876-W880 HydrophobicContact CB-CZ2 4.43Å; N876-W880 HydrophobicContact CB-CZ3 4.41Å |
| 877 | R | 87.5 | Confident | 92.1 | Very high | 110 Ų | 110 | 41.4 Ų | 41.4 | 42% | 0.415 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 42.7 | 179.3 | -64.4 | -178.3 | 162 | -161.4 | -4.6 | 113.9 | R170 L171 D872 T875 | R170-R877 PolarHBondContact O-NH1 3.49Å; L171-R877 HydrophobicContact CD2-CB 4.23Å; D872-R877 HydrophobicContact CB-CG 3.96Å; D872-R877 PolarHBondContact O-N 2.77Å; D872-R877 IonicContact OD2-CZ 3.75Å; D872-R877 IonicContact OD2-NE 2.84Å; D872-R877 PolarHBondContact OD2-NE 3.34Å; D872-R877 IonicContact OD2-NH2 2.59Å; T875-R877 VanDerWaalsContact C-N 3.27Å; T875-R877 PolarHBondContact O-N 2.64Å; T875-R877 PolarHBondContact OG1-N 3.07Å |
| 878 | G | 85.3 | Confident | 91.8 | Very high | 18 Ų | 18 | 44.1 Ų | 44.1 | 19% | 0.186 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 97.2 | -17.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115 | T875 N876 W880 L881 | T875-G878 PolarHBondContact O-N 3.28Å; N876-G878 VanDerWaalsContact C-N 3.3Å; N876-G878 PolarHBondContact O-N 2.89Å; G878-W880 PolarHBondContact O-N 3.26Å; G878-L881 WeakPolarHBondContact CA-O 3.33Å |
| 879 | E | 86.9 | Confident | 91.6 | Very high | 77 Ų | 77 | 45.5 Ų | 45.5 | 36% | 0.36 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -23.8 | -178.3 | -75.2 | -164.3 | 83 | 0 | 0 | 113.9 | N174 T875 N876 Y1269 | N174-E879 VanDerWaalsContact CB-CD 3.49Å; N174-E879 WeakPolarHBondContact CB-OE1 3.39Å; N174-E879 WeakPolarHBondContact CB-OE2 3.39Å; N174-E879 PolarHBondContact ND2-OE2 3.25Å; T875-E879 PolarHBondContact O-N 3.31Å; N876-E879 HydrophobicContact CB-CB 4.29Å; N876-E879 WeakPolarHBondContact ND2-CB 3.31Å; N876-E879 VanDerWaalsContact ND2-CD 3.35Å; N876-E879 PolarHBondContact ND2-OE2 2.8Å; N876-E879 WeakPolarHBondContact O-CB 3.4Å; N876-E879 PolarHBondContact O-N 2.81Å; E879-Y1269 WeakPolarHBondContact O-CB 3.17Å |
| 880 | W | 90.7 | Very high | 91.4 | Very high | 78 Ų | 78 | 43.9 Ų | 43.9 | 30% | 0.295 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -117.6 | -24.6 | -180 | -59.9 | -16.6 | 0 | 0 | 0 | 114.2 | I874 T875 N876 G878 F1268 Y1269 K1271 | I874-W880 VanDerWaalsContact O-CE3 3.24Å; T875-W880 PolarHBondContact O-N 3.09Å; N876-W880 HydrophobicContact CB-CD2 3.86Å; N876-W880 HydrophobicContact CB-CE3 4.06Å; N876-W880 HydrophobicContact CB-CG 4.24Å; N876-W880 HydrophobicContact CB-CZ2 4.43Å; N876-W880 HydrophobicContact CB-CZ3 4.41Å; G878-W880 PolarHBondContact O-N 3.26Å; W880-F1268 WeakPolarHBondContact O-CD2 3.49Å; W880-Y1269 PolarHBondContact O-N 2.86Å; W880-K1271 HydrophobicContact CD2-CD 4.04Å; W880-K1271 HydrophobicContact CD2-CG 4.11Å; W880-K1271 HydrophobicContact CE3-CD 4.23Å; W880-K1271 VanDerWaalsContact CE3-NZ 3.27Å; W880-K1271 HydrophobicContact CG-CG 4.15Å; W880-K1271 HydrophobicContact CH2-CD 4.42Å; W880-K1271 HydrophobicContact CZ2-CD 4.21Å; W880-K1271 HydrophobicContact CZ3-CD 4.43Å |
| 881 | L | 93.3 | Very high | 91 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 112.9 | 173.4 | 174.7 | 59.7 | 0 | 0 | 0 | 108.1 | V778 M781 L832 T875 G878 T1218 E1266 V1267 F1268 | V778-L881 HydrophobicContact CG2-CD1 4.28Å; V778-L881 HydrophobicContact CG2-CD2 4.34Å; M781-L881 HydrophobicContact CE-CB 4.29Å; M781-L881 HydrophobicContact SD-CB 4.13Å; M781-L881 HydrophobicContact SD-CD2 3.79Å; L832-L881 HydrophobicContact CB-CD2 4.23Å; L832-L881 HydrophobicContact CD2-CD2 4.15Å; T875-L881 HydrophobicContact CG2-CB 4.16Å; T875-L881 HydrophobicContact CG2-CD2 4.34Å; G878-L881 WeakPolarHBondContact CA-O 3.33Å; L881-T1218 HydrophobicContact CD1-CG2 3.73Å; L881-E1266 HydrophobicContact CD1-CB 4.44Å; L881-V1267 WeakPolarHBondContact CA-O 3.43Å; L881-F1268 HydrophobicContact CD1-CB 4.42Å |
| 882 | Y | 92.5 | Very high | 90.8 | Very high | 97 Ų | 97 | 46.9 Ų | 46.9 | 38% | 0.38 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 135.9 | 169.5 | 177.4 | -104.3 | 0 | 0 | 0 | 109.9 | D1264 E1266 V1267 | Y882-D1264 PolarHBondContact OH-OD2 2.81Å; Y882-E1266 VanDerWaalsContact O-CA 3.31Å; Y882-E1266 WeakPolarHBondContact O-CA 3.23Å; Y882-E1266 WeakPolarHBondContact O-CB 3.38Å; Y882-V1267 PolarHBondContact N-O 2.89Å; Y882-V1267 PolarHBondContact O-N 3.48Å |
| 883 | S | 92.6 | Very high | 90.8 | Very high | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | trans | -163.8 | 142.1 | -177.1 | 170.5 | 0 | 0 | 0 | 0 | 109.8 | A885 L886 E1266 | S883-A885 PolarHBondContact O-N 2.88Å; S883-A885 WeakPolarHBondContact OG-CB 3.41Å; S883-A885 PolarHBondContact OG-N 3.49Å; S883-A885 VanDerWaalsContact OG-N 3.11Å; S883-L886 PolarHBondContact O-N 3.05Å; S883-L886 VanDerWaalsContact O-N 3.16Å; S883-E1266 WeakPolarHBondContact CB-OE1 3.39Å; S883-E1266 PolarHBondContact OG-OE1 3.29Å | ||
| 884 | A | 90 | Very high | 90.6 | Very high | 52 Ų | 52 | 43.7 Ų | 43.7 | 43% | 0.43 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -57.5 | -25.8 | 172 | 0 | 0 | 0 | 0 | 0 | 112.4 | L886 A887 | A884-L886 PolarHBondContact O-N 3.35Å; A884-A887 VanDerWaalsContact O-CB 3.31Å; A884-A887 WeakPolarHBondContact O-CB 3.33Å; A884-A887 PolarHBondContact O-N 3.39Å |
| 885 | A | 92.2 | Very high | 90.3 | Very high | 4 Ų | 4 | 47 Ų | 47 | 3% | 0.033 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -50.4 | -33.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L832 D833 Q836 R871 S883 A887 | L832-A885 HydrophobicContact CD2-CB 4.17Å; L832-A885 HydrophobicContact CG-CB 3.92Å; D833-A885 HydrophobicContact CB-CB 4.11Å; Q836-A885 HydrophobicContact CB-CB 4.37Å; Q836-A885 PolarHBondContact NE2-O 2.95Å; Q836-A885 PolarHBondContact OE1-O 2.97Å; R871-A885 PolarHBondContact NH1-O 3.37Å; S883-A885 PolarHBondContact O-N 2.88Å; S883-A885 WeakPolarHBondContact OG-CB 3.41Å; S883-A885 PolarHBondContact OG-N 3.49Å; S883-A885 VanDerWaalsContact OG-N 3.11Å; A885-A887 VanDerWaalsContact C-N 3.28Å; A885-A887 PolarHBondContact O-N 2.8Å |
| 886 | L | 92.5 | Very high | 90.2 | Very high | 29 Ų | 29 | 50.1 Ų | 50.1 | 15% | 0.152 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -76.7 | -9.8 | -176.2 | -57.4 | -180 | 0 | 0 | 0 | 113.9 | L832 R871 T875 S883 A884 Y888 | L832-L886 HydrophobicContact CD2-CD2 4.43Å; R871-L886 HydrophobicContact CG-CD2 3.96Å; T875-L886 HydrophobicContact CG2-CD2 4.14Å; S883-L886 PolarHBondContact O-N 3.05Å; S883-L886 VanDerWaalsContact O-N 3.16Å; A884-L886 PolarHBondContact O-N 3.35Å; L886-Y888 VanDerWaalsContact C-N 3.34Å |
| 887 | A | 89.4 | Confident | 90 | Very high | 77 Ų | 77 | 49.2 Ų | 49.2 | 64% | 0.636 | 25% | 0.25 | S | S | * | . | G | 310 helix | trans | -67.7 | -34.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A884 A885 | A884-A887 VanDerWaalsContact O-CB 3.31Å; A884-A887 WeakPolarHBondContact O-CB 3.33Å; A884-A887 PolarHBondContact O-N 3.39Å; A885-A887 VanDerWaalsContact C-N 3.28Å; A885-A887 PolarHBondContact O-N 2.8Å |
| 888 | Y | 91.1 | Very high | 89.8 | Confident | 59 Ų | 59 | 49.3 Ų | 49.3 | 23% | 0.231 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -85.4 | 119.2 | 174.2 | -176.5 | -84.4 | 0 | 0 | 0 | 110 | F840 I868 R871 L886 D892 F893 E896 | F840-Y888 HydrophobicContact CD2-CE1 4.44Å; F840-Y888 AromaticContact CE2-CD1 3.48Å; F840-Y888 HydrophobicContact CE2-CD1 3.48Å; F840-Y888 VanDerWaalsContact CE2-CD1 3.48Å; F840-Y888 AromaticContact CE2-CE1 3.52Å; F840-Y888 HydrophobicContact CE2-CE1 3.52Å; F840-Y888 HydrophobicContact CE2-CG 4.17Å; F840-Y888 AromaticContact CZ-CD1 3.84Å; F840-Y888 HydrophobicContact CZ-CD1 3.84Å; F840-Y888 AromaticContact CZ-CE1 3.86Å; F840-Y888 HydrophobicContact CZ-CE1 3.86Å; I868-Y888 HydrophobicContact CD1-CD1 4.31Å; I868-Y888 HydrophobicContact CD1-CE1 3.97Å; R871-Y888 VanDerWaalsContact CZ-O 3.31Å; R871-Y888 PolarHBondContact NH1-O 2.94Å; R871-Y888 PolarHBondContact NH2-O 3.38Å; L886-Y888 VanDerWaalsContact C-N 3.34Å; Y888-D892 HydrophobicContact CD2-CB 4.36Å; Y888-D892 HydrophobicContact CE2-CB 4.47Å; Y888-F893 HydrophobicContact CE1-CB 3.82Å; Y888-F893 WeakPolarHBondContact OH-CA 3.27Å; Y888-F893 WeakPolarHBondContact OH-CD2 3.48Å; Y888-E896 PolarHBondContact OH-OE2 3.15Å |
| 889 | T | 91.2 | Very high | 89.6 | Confident | 30 Ų | 30 | 54.7 Ų | 54.7 | 18% | 0.184 | 28% | 0.276 | C | S | . | . | trans | -112.8 | 173.8 | -172.3 | 80.8 | 0 | 0 | 0 | 0 | 113.4 | K891 D892 F893 | T889-K891 PolarHBondContact O-N 3.17Å; T889-D892 WeakPolarHBondContact CA-OD2 3.35Å; T889-D892 WeakPolarHBondContact CB-OD2 3.45Å; T889-D892 WeakPolarHBondContact CG2-OD2 3.42Å; T889-D892 PolarHBondContact N-OD2 3.28Å; T889-D892 PolarHBondContact O-N 3.32Å; T889-D892 VanDerWaalsContact O-N 3.13Å; T889-D892 PolarHBondContact OG1-OD2 2.95Å; T889-F893 PolarHBondContact O-N 3.18Å; T889-F893 VanDerWaalsContact O-N 3.08Å | ||
| 890 | E | 91.3 | Very high | 89.4 | Confident | 64 Ų | 64 | 54.7 Ų | 54.7 | 30% | 0.299 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.4 | -36.1 | 178.7 | -174.5 | 177.1 | -160 | 0 | 0 | 114.1 | I868 Q869 H894 | I868-E890 HydrophobicContact CG2-CB 4.05Å; Q869-E890 WeakPolarHBondContact CG-OE1 3.44Å; Q869-E890 PolarHBondContact NE2-OE1 3.44Å; E890-H894 PolarHBondContact O-CD2 3.31Å; E890-H894 VanDerWaalsContact O-CG 3.28Å; E890-H894 PolarHBondContact O-N 3.27Å |
| 891 | K | 87.3 | Confident | 88.8 | Confident | 62 Ų | 62 | 56.5 Ų | 56.5 | 27% | 0.27 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -75.6 | -31.1 | 172.6 | 172.1 | 74.7 | -67.2 | -148.5 | 0 | 111.5 | T889 F893 H894 L895 E898 | T889-K891 PolarHBondContact O-N 3.17Å; K891-F893 VanDerWaalsContact C-N 3.3Å; K891-F893 PolarHBondContact O-N 2.87Å; K891-H894 CarbonylContact O-C 3.35Å; K891-H894 PolarHBondContact O-N 3.39Å; K891-H894 VanDerWaalsContact O-N 3.12Å; K891-L895 HydrophobicContact CD-CD1 4.42Å; K891-L895 HydrophobicContact CD-CD2 4.26Å; K891-L895 HydrophobicContact CD-CG 3.93Å; K891-L895 HydrophobicContact CG-CD1 4.14Å; K891-L895 HydrophobicContact CG-CG 4.11Å; K891-L895 WeakPolarHBondContact O-CG 3.49Å; K891-L895 PolarHBondContact O-N 3.09Å; K891-E898 IonicContact NZ-OE1 3.19Å; K891-E898 PolarHBondContact NZ-OE1 3.14Å; K891-E898 IonicContact NZ-OE2 2.69Å; K891-E898 PolarHBondContact NZ-OE2 2.91Å |
| 892 | D | 91.3 | Very high | 87.8 | Confident | 51 Ų | 51 | 61 Ų | 61 | 27% | 0.273 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.2 | -43.3 | 178.5 | -47.2 | -50.8 | 0 | 0 | 0 | 109.4 | Y888 T889 L895 E896 | Y888-D892 HydrophobicContact CD2-CB 4.36Å; Y888-D892 HydrophobicContact CE2-CB 4.47Å; T889-D892 WeakPolarHBondContact CA-OD2 3.35Å; T889-D892 WeakPolarHBondContact CB-OD2 3.45Å; T889-D892 WeakPolarHBondContact CG2-OD2 3.42Å; T889-D892 PolarHBondContact N-OD2 3.28Å; T889-D892 PolarHBondContact O-N 3.32Å; T889-D892 VanDerWaalsContact O-N 3.13Å; T889-D892 PolarHBondContact OG1-OD2 2.95Å; D892-L895 PolarHBondContact O-N 3.44Å; D892-E896 PolarHBondContact O-N 3.27Å |
| 893 | F | 93.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.5 | -46 | 168 | 179.8 | -123.1 | 0 | 0 | 0 | 113.4 | I861 Q864 T865 I868 Y888 T889 K891 L895 E896 M897 | I861-F893 HydrophobicContact CB-CZ 4.33Å; I861-F893 HydrophobicContact CG1-CZ 4.19Å; I861-F893 HydrophobicContact CG2-CE1 4.06Å; I861-F893 HydrophobicContact CG2-CZ 4.14Å; Q864-F893 HydrophobicContact CB-CE1 4.12Å; Q864-F893 HydrophobicContact CB-CE2 4.25Å; Q864-F893 HydrophobicContact CB-CZ 3.83Å; Q864-F893 VanDerWaalsContact CD-CE2 3.41Å; Q864-F893 HydrophobicContact CG-CD2 4.23Å; Q864-F893 HydrophobicContact CG-CE1 4.31Å; Q864-F893 HydrophobicContact CG-CE2 3.99Å; Q864-F893 HydrophobicContact CG-CZ 4.03Å; Q864-F893 VanDerWaalsContact OE1-CE2 3.28Å; T865-F893 WeakPolarHBondContact OG1-CE1 3.49Å; I868-F893 HydrophobicContact CD1-CB 3.96Å; I868-F893 HydrophobicContact CD1-CD1 4.38Å; I868-F893 HydrophobicContact CD1-CG 4.19Å; Y888-F893 HydrophobicContact CE1-CB 3.82Å; Y888-F893 WeakPolarHBondContact OH-CA 3.27Å; Y888-F893 WeakPolarHBondContact OH-CD2 3.48Å; T889-F893 PolarHBondContact O-N 3.18Å; T889-F893 VanDerWaalsContact O-N 3.08Å; K891-F893 VanDerWaalsContact C-N 3.3Å; K891-F893 PolarHBondContact O-N 2.87Å; F893-L895 VanDerWaalsContact C-N 3.32Å; F893-L895 PolarHBondContact O-N 3.27Å; F893-E896 WeakPolarHBondContact O-CB 3.24Å; F893-E896 PolarHBondContact O-N 3.35Å; F893-M897 HydrophobicContact CD2-CE 4.38Å; F893-M897 HydrophobicContact CD2-CG 4.03Å; F893-M897 HydrophobicContact CE1-CG 4.19Å; F893-M897 HydrophobicContact CE2-CE 3.87Å; F893-M897 HydrophobicContact CE2-CG 3.52Å; F893-M897 HydrophobicContact CE2-SD 3.74Å; F893-M897 HydrophobicContact CZ-CG 3.62Å; F893-M897 HydrophobicContact CZ-SD 4Å; F893-M897 WeakPolarHBondContact O-CG 3.44Å; F893-M897 PolarHBondContact O-N 3.38Å |
| 894 | H | 89.7 | Confident | 84.5 | Confident | 71 Ų | 71 | 63.3 Ų | 63.3 | 33% | 0.329 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67.6 | -27.6 | 177.8 | -70.5 | -41 | 0 | 0 | 0 | 113.7 | T865 E890 K891 E898 | T865-H894 PolarHBondContact OG1-NE2 3.48Å; E890-H894 PolarHBondContact O-CD2 3.31Å; E890-H894 VanDerWaalsContact O-CG 3.28Å; E890-H894 PolarHBondContact O-N 3.27Å; K891-H894 CarbonylContact O-C 3.35Å; K891-H894 PolarHBondContact O-N 3.39Å; K891-H894 VanDerWaalsContact O-N 3.12Å; H894-E898 WeakPolarHBondContact O-CB 3.39Å; H894-E898 VanDerWaalsContact O-CG 3.24Å; H894-E898 WeakPolarHBondContact O-CG 3.29Å; H894-E898 PolarHBondContact O-N 2.94Å |
| 895 | L | 86.5 | Confident | 82.5 | Confident | 82 Ų | 82 | 66.7 Ų | 66.7 | 43% | 0.429 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -69.4 | -47.6 | 171.1 | -74.7 | 170 | 0 | 0 | 0 | 110.4 | K891 D892 F893 M897 E898 E899 | K891-L895 HydrophobicContact CD-CD1 4.42Å; K891-L895 HydrophobicContact CD-CD2 4.26Å; K891-L895 HydrophobicContact CD-CG 3.93Å; K891-L895 HydrophobicContact CG-CD1 4.14Å; K891-L895 HydrophobicContact CG-CG 4.11Å; K891-L895 WeakPolarHBondContact O-CG 3.49Å; K891-L895 PolarHBondContact O-N 3.09Å; D892-L895 PolarHBondContact O-N 3.44Å; F893-L895 VanDerWaalsContact C-N 3.32Å; F893-L895 PolarHBondContact O-N 3.27Å; L895-M897 VanDerWaalsContact C-N 3.26Å; L895-M897 PolarHBondContact O-N 3.49Å; L895-E898 PolarHBondContact O-N 3.22Å; L895-E898 VanDerWaalsContact O-N 3.11Å; L895-E899 PolarHBondContact O-N 3Å |
| 896 | E | 88.3 | Confident | 79.6 | Confident | 67 Ų | 67 | 73 Ų | 73 | 31% | 0.313 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -54.7 | -42.2 | 174.7 | -171.8 | -165.1 | 120.8 | 0 | 0 | 111.3 | R847 Y888 D892 F893 Y900 | R847-E896 IonicContact NH2-OE1 3.18Å; R847-E896 PolarHBondContact NH2-OE1 2.56Å; Y888-E896 PolarHBondContact OH-OE2 3.15Å; D892-E896 PolarHBondContact O-N 3.27Å; F893-E896 WeakPolarHBondContact O-CB 3.24Å; F893-E896 PolarHBondContact O-N 3.35Å; E896-Y900 VanDerWaalsContact O-CB 3.26Å; E896-Y900 WeakPolarHBondContact O-CB 3.36Å; E896-Y900 PolarHBondContact O-N 3.37Å |
| 897 | M | 87.6 | Confident | 76.7 | Confident | 3 Ų | 3 | 74.3 Ų | 74.3 | 2% | 0.015 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -75.3 | -29.2 | 177.8 | -64.6 | -57.5 | 94.7 | 0 | 0 | 113.9 | R847 I861 F893 L895 R901 | R847-M897 VanDerWaalsContact CD-SD 3.53Å; I861-M897 HydrophobicContact CD1-CG 4.31Å; I861-M897 HydrophobicContact CD1-SD 3.89Å; I861-M897 HydrophobicContact CG1-CG 4.35Å; I861-M897 HydrophobicContact CG1-SD 3.88Å; F893-M897 HydrophobicContact CD2-CE 4.38Å; F893-M897 HydrophobicContact CD2-CG 4.03Å; F893-M897 HydrophobicContact CE1-CG 4.19Å; F893-M897 HydrophobicContact CE2-CE 3.87Å; F893-M897 HydrophobicContact CE2-CG 3.52Å; F893-M897 HydrophobicContact CE2-SD 3.74Å; F893-M897 HydrophobicContact CZ-CG 3.62Å; F893-M897 HydrophobicContact CZ-SD 4Å; F893-M897 WeakPolarHBondContact O-CG 3.44Å; F893-M897 PolarHBondContact O-N 3.38Å; L895-M897 VanDerWaalsContact C-N 3.26Å; L895-M897 PolarHBondContact O-N 3.49Å; M897-R901 VanDerWaalsContact O-CB 3.28Å; M897-R901 WeakPolarHBondContact O-CB 3.32Å; M897-R901 WeakPolarHBondContact O-CD 3.49Å; M897-R901 VanDerWaalsContact O-CG 3.23Å; M897-R901 WeakPolarHBondContact O-CG 3.47Å; M897-R901 PolarHBondContact O-N 2.63Å; M897-R901 VanDerWaalsContact O-N 3.16Å |
| 898 | E | 82.7 | Confident | 74 | Confident | 112 Ų | 112 | 82.6 Ų | 82.6 | 52% | 0.523 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -66.3 | -44.8 | 170.2 | -79.4 | 161.3 | -162.8 | 0 | 0 | 110.4 | K891 H894 L895 R901 S902 | K891-E898 IonicContact NZ-OE1 3.19Å; K891-E898 PolarHBondContact NZ-OE1 3.14Å; K891-E898 IonicContact NZ-OE2 2.69Å; K891-E898 PolarHBondContact NZ-OE2 2.91Å; H894-E898 WeakPolarHBondContact O-CB 3.39Å; H894-E898 VanDerWaalsContact O-CG 3.24Å; H894-E898 WeakPolarHBondContact O-CG 3.29Å; H894-E898 PolarHBondContact O-N 2.94Å; L895-E898 PolarHBondContact O-N 3.22Å; L895-E898 VanDerWaalsContact O-N 3.11Å; E898-R901 PolarHBondContact O-N 3.04Å; E898-S902 PolarHBondContact O-N 3.26Å |
| 899 | E | 82.1 | Confident | 70.9 | Confident | 131 Ų | 131 | 84.4 Ų | 84.4 | 61% | 0.612 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -67.2 | -46.8 | 177.4 | -175.4 | 168.6 | -166.2 | 0 | 0 | 112.3 | L895 R901 S902 V903 | L895-E899 PolarHBondContact O-N 3Å; E899-R901 PolarHBondContact O-N 3.12Å; E899-S902 WeakPolarHBondContact CA-OG 3.27Å; E899-S902 PolarHBondContact O-N 3.49Å; E899-S902 PolarHBondContact O-OG 3.44Å; E899-V903 HydrophobicContact CG-CG2 4.27Å; E899-V903 WeakPolarHBondContact O-CG2 3.42Å; E899-V903 PolarHBondContact O-N 2.9Å |
| 900 | Y | 81.5 | Confident | 68 | Low | 76 Ų | 76 | 87.9 Ų | 87.9 | 30% | 0.298 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.1 | -38.2 | 176.2 | -164.1 | -75.4 | 0 | 0 | 0 | 111.7 | F857 E896 S904 | F857-Y900 AromaticContact CE2-CD1 3.98Å; F857-Y900 HydrophobicContact CE2-CD1 3.98Å; F857-Y900 AromaticContact CE2-CE1 3.66Å; F857-Y900 HydrophobicContact CE2-CE1 3.66Å; F857-Y900 HydrophobicContact CZ-CD1 4.04Å; F857-Y900 HydrophobicContact CZ-CE1 4.18Å; E896-Y900 VanDerWaalsContact O-CB 3.26Å; E896-Y900 WeakPolarHBondContact O-CB 3.36Å; E896-Y900 PolarHBondContact O-N 3.37Å; Y900-S904 WeakPolarHBondContact O-CB 3.35Å; Y900-S904 PolarHBondContact O-N 3.45Å; Y900-S904 VanDerWaalsContact O-N 3.16Å; Y900-S904 PolarHBondContact O-OG 2.82Å |
| 901 | R | 78.8 | Confident | 65.1 | Low | 117 Ų | 117 | 90.5 Ų | 90.5 | 44% | 0.442 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -70.9 | -27.4 | 174.5 | -77.9 | 175.5 | 165.5 | 165.1 | -1.7 | 113.2 | E858 M897 E898 E899 | E858-R901 IonicContact OE1-CZ 2.66Å; E858-R901 IonicContact OE1-NH2 2.99Å; E858-R901 PolarHBondContact OE1-NH2 3.31Å; E858-R901 IonicContact OE2-NH2 2.72Å; E858-R901 PolarHBondContact OE2-NH2 3.38Å; M897-R901 VanDerWaalsContact O-CB 3.28Å; M897-R901 WeakPolarHBondContact O-CB 3.32Å; M897-R901 WeakPolarHBondContact O-CD 3.49Å; M897-R901 VanDerWaalsContact O-CG 3.23Å; M897-R901 WeakPolarHBondContact O-CG 3.47Å; M897-R901 PolarHBondContact O-N 2.63Å; M897-R901 VanDerWaalsContact O-N 3.16Å; E898-R901 PolarHBondContact O-N 3.04Å; E899-R901 PolarHBondContact O-N 3.12Å |
| 902 | S | 71.4 | Confident | 62.2 | Low | 94 Ų | 94 | 93 Ų | 93 | 66% | 0.657 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -82.3 | -30.1 | 175.5 | 68.4 | 0 | 0 | 0 | 0 | 114.2 | E898 E899 | E898-S902 PolarHBondContact O-N 3.26Å; E899-S902 WeakPolarHBondContact CA-OG 3.27Å; E899-S902 PolarHBondContact O-N 3.49Å; E899-S902 PolarHBondContact O-OG 3.44Å |
| 903 | V | 64.8 | Low | 59.3 | Low | 103 Ų | 103 | 97.5 Ų | 97.5 | 62% | 0.624 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -85.6 | -22.2 | -179.5 | 177.5 | 0 | 0 | 0 | 0 | 112.4 | E899 P905 | E899-V903 HydrophobicContact CG-CG2 4.27Å; E899-V903 WeakPolarHBondContact O-CG2 3.42Å; E899-V903 PolarHBondContact O-N 2.9Å; V903-P905 VanDerWaalsContact O-CD 3.29Å; V903-P905 WeakPolarHBondContact O-CD 3.21Å |
| 904 | S | 52.3 | Low | 56.4 | Low | 45 Ų | 45 | 101.8 Ų | 101.8 | 32% | 0.315 | 59% | 0.592 | S | S | . | * | S | Bend | trans | -57.9 | 116.8 | 178.1 | -72.3 | 0 | 0 | 0 | 0 | 112.6 | Y900 | Y900-S904 WeakPolarHBondContact O-CB 3.35Å; Y900-S904 PolarHBondContact O-N 3.45Å; Y900-S904 VanDerWaalsContact O-N 3.16Å; Y900-S904 PolarHBondContact O-OG 2.82Å |
| 905 | P | 46.9 | Very low | 53.9 | Low | 123 Ų | 123 | 103.1 Ų | 103.1 | 80% | 0.799 | 61% | 0.607 | S | S | * | * | trans | -65 | 136.8 | -175.6 | -24.8 | 35.3 | 0 | 0 | 0 | 114.1 | V903 G907 | V903-P905 VanDerWaalsContact O-CD 3.29Å; V903-P905 WeakPolarHBondContact O-CD 3.21Å; P905-G907 VanDerWaalsContact C-N 3.26Å; P905-G907 PolarHBondContact O-N 3.09Å | ||
| 906 | S | 32.1 | Very low | 51.6 | Low | 137 Ų | 137 | 110 Ų | 110 | 96% | 0.958 | 63% | 0.627 | S | S | * | * | trans | -72.2 | 70.8 | 174.5 | 43.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 907 | G | 31.9 | Very low | 49.8 | Very low | 56 Ų | 56 | 110.8 Ų | 110.8 | 58% | 0.577 | 65% | 0.645 | S | S | * | * | trans | -153.9 | 48.5 | -158.6 | 0 | 0 | 0 | 0 | 0 | 120 | P905 | P905-G907 VanDerWaalsContact C-N 3.26Å; P905-G907 PolarHBondContact O-N 3.09Å | ||
| 908 | R | 31.1 | Very low | 48.1 | Very low | 251 Ų | 251 | 118.1 Ų | 118.1 | 95% | 0.947 | 68% | 0.682 | S | S | * | * | trans | 179.6 | 124.3 | 135.6 | -99.5 | 156.4 | -170.5 | -171.3 | 3.3 | 112.4 | A910 | R908-A910 PolarHBondContact O-N 3.37Š| ||
| 909 | A | 27 | Very low | 46.8 | Very low | 97 Ų | 97 | 114.8 Ų | 114.8 | 80% | 0.802 | 67% | 0.668 | S | S | * | * | trans | -74.1 | 120.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | V911 | A909-V911 PolarHBondContact O-N 3.06Š| ||
| 910 | A | 30.7 | Very low | 45.7 | Very low | 104 Ų | 104 | 112 Ų | 112 | 86% | 0.86 | 66% | 0.661 | S | S | * | * | trans | -72.4 | 114.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | R908 S912 | R908-A910 PolarHBondContact O-N 3.37Å; A910-S912 PolarHBondContact O-N 3.44Å | ||
| 911 | V | 29.4 | Very low | 44.7 | Very low | 119 Ų | 119 | 116.5 Ų | 116.5 | 72% | 0.721 | 69% | 0.69 | S | S | * | * | trans | -65.6 | 123.6 | -174.4 | 178.6 | 0 | 0 | 0 | 0 | 110.9 | A909 N913 | A909-V911 PolarHBondContact O-N 3.06Å; V911-N913 PolarHBondContact O-N 2.82Å | ||
| 912 | S | 27.9 | Very low | 44.1 | Very low | 115 Ų | 115 | 117.9 Ų | 117.9 | 80% | 0.804 | 71% | 0.706 | S | S | * | * | trans | -76.1 | 83.8 | 174.5 | 48.2 | 0 | 0 | 0 | 0 | 111.3 | A910 S914 | A910-S912 PolarHBondContact O-N 3.44Å; S912-S914 VanDerWaalsContact C-N 3.32Å; S912-S914 PolarHBondContact O-N 3.4Å | ||
| 913 | N | 29.8 | Very low | 44.1 | Very low | 145 Ų | 145 | 114.3 Ų | 114.3 | 78% | 0.775 | 68% | 0.682 | S | S | * | * | trans | -64.6 | 88.7 | 172.7 | -80.9 | -15.2 | 0 | 0 | 0 | 111 | V911 P915 | V911-N913 PolarHBondContact O-N 2.82Å; N913-P915 VanDerWaalsContact O-CD 3.27Å; N913-P915 WeakPolarHBondContact O-CD 3.41Å | ||
| 914 | S | 31.7 | Very low | 44.8 | Very low | 90 Ų | 90 | 113.6 Ų | 113.6 | 63% | 0.629 | 68% | 0.678 | S | S | * | * | trans | -92.3 | 105.9 | 170.8 | -173.1 | 0 | 0 | 0 | 0 | 109.8 | S912 R916 | S912-S914 VanDerWaalsContact C-N 3.32Å; S912-S914 PolarHBondContact O-N 3.4Å; S914-R916 VanDerWaalsContact C-N 3.28Å; S914-R916 PolarHBondContact O-N 3.4Å | ||
| 915 | P | 36.7 | Very low | 46.3 | Very low | 99 Ų | 99 | 115.3 Ų | 115.3 | 64% | 0.643 | 68% | 0.681 | S | S | * | * | trans | -75.9 | 79.4 | 178.4 | 31.9 | -35.6 | 0 | 0 | 0 | 110.6 | N913 A917 I1000 | N913-P915 VanDerWaalsContact O-CD 3.27Å; N913-P915 WeakPolarHBondContact O-CD 3.41Å; P915-A917 PolarHBondContact O-N 2.83Å; P915-I1000 HydrophobicContact CG-CD1 4.35Å | ||
| 916 | R | 38.8 | Very low | 48.2 | Very low | 227 Ų | 227 | 111.6 Ų | 111.6 | 86% | 0.857 | 65% | 0.654 | S | S | * | * | trans | -71.1 | 75.2 | 166.4 | -78.9 | -172.2 | 171.3 | -175 | -1.9 | 110.3 | S914 I918 | S914-R916 VanDerWaalsContact C-N 3.28Å; S914-R916 PolarHBondContact O-N 3.4Å; R916-I918 PolarHBondContact O-N 2.9Å | ||
| 917 | A | 50 | Low | 50.8 | Low | 82 Ų | 82 | 111.7 Ų | 111.7 | 68% | 0.678 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 130.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | P915 | P915-A917 PolarHBondContact O-N 2.83Š|
| 918 | I | 52.2 | Low | 53.5 | Low | 158 Ų | 158 | 112.9 Ų | 112.9 | 81% | 0.81 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 135.5 | -178.1 | -63.7 | 166.4 | 0 | 0 | 0 | 108.3 | R916 | R916-I918 PolarHBondContact O-N 2.9Š|
| 919 | L | 56.1 | Low | 56.3 | Low | 41 Ų | 41 | 101.8 Ų | 101.8 | 22% | 0.215 | 59% | 0.59 | C | S | . | * | P | Polyproline II helix | trans | -66 | 146 | 170.8 | -76.4 | 177.9 | 0 | 0 | 0 | 109.7 | A923 W961 | L919-A923 HydrophobicContact CB-CB 4.33Å; L919-W961 HydrophobicContact CD2-CB 4.42Å; L919-W961 HydrophobicContact CD2-CD2 3.65Å; L919-W961 HydrophobicContact CD2-CE3 4.14Å; L919-W961 HydrophobicContact CD2-CG 3.78Å; L919-W961 HydrophobicContact CD2-CZ2 4.46Å |
| 920 | P | 58.9 | Low | 59.3 | Low | 73 Ų | 73 | 101.9 Ų | 101.9 | 47% | 0.474 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -51.2 | 141.9 | 165.1 | -22.8 | 33.4 | 0 | 0 | 0 | 110.4 | D922 A923 | P920-D922 PolarHBondContact O-N 3.26Å; P920-A923 HydrophobicContact CB-CB 4.37Å; P920-A923 VanDerWaalsContact O-CB 3.27Å; P920-A923 WeakPolarHBondContact O-CB 3.43Å; P920-A923 PolarHBondContact O-N 3.45Å; P920-A923 VanDerWaalsContact O-N 3.07Å |
| 921 | L | 60.3 | Low | 61.9 | Low | 171 Ų | 171 | 97.5 Ų | 97.5 | 90% | 0.895 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -28.8 | -174.1 | -85.9 | 81.1 | 0 | 0 | 0 | 113.1 | ||
| 922 | D | 67.3 | Low | 64.5 | Low | 145 Ų | 145 | 99.9 Ų | 99.9 | 78% | 0.775 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | 9.7 | -175.1 | -41.5 | -50.4 | 0 | 0 | 0 | 113.1 | P920 | P920-D922 PolarHBondContact O-N 3.26Š|
| 923 | A | 70.3 | Confident | 67.2 | Low | 20 Ų | 20 | 98.2 Ų | 98.2 | 17% | 0.165 | 54% | 0.537 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 130.6 | -176 | 0 | 0 | 0 | 0 | 0 | 113.3 | L919 P920 W961 Q962 | L919-A923 HydrophobicContact CB-CB 4.33Å; P920-A923 HydrophobicContact CB-CB 4.37Å; P920-A923 VanDerWaalsContact O-CB 3.27Å; P920-A923 WeakPolarHBondContact O-CB 3.43Å; P920-A923 PolarHBondContact O-N 3.45Å; P920-A923 VanDerWaalsContact O-N 3.07Å; A923-W961 HydrophobicContact CB-CG 4.43Å; A923-Q962 CarbonylContact C-O 3.59Å; A923-Q962 WeakPolarHBondContact CA-O 3.45Å |
| 924 | T | 80.4 | Confident | 69.9 | Low | 88 Ų | 88 | 93.7 Ų | 93.7 | 54% | 0.54 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 117.1 | 174.9 | -58.7 | 0 | 0 | 0 | 0 | 110.1 | L926 W961 Q962 | T924-L926 HydrophobicContact CG2-CD2 4.43Å; T924-W961 CarbonylContact O-C 3.53Å; T924-W961 WeakPolarHBondContact O-CA 3.46Å; T924-W961 WeakPolarHBondContact O-CB 3.47Å; T924-Q962 PolarHBondContact N-O 3.06Å; T924-Q962 PolarHBondContact O-N 3.46Å |
| 925 | E | 83.7 | Confident | 72.6 | Confident | 80 Ų | 80 | 91.8 Ų | 91.8 | 37% | 0.374 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 138.2 | 176 | -173 | 159.4 | -155.7 | 0 | 0 | 111.2 | R959 I960 | E925-R959 VanDerWaalsContact CD-NH2 3.32Å; E925-R959 IonicContact OE1-CZ 2.76Å; E925-R959 IonicContact OE1-NE 2.76Å; E925-R959 PolarHBondContact OE1-NE 2.88Å; E925-R959 IonicContact OE1-NH2 3.78Å; E925-R959 PolarHBondContact OE1-NH2 2.79Å; E925-R959 IonicContact OE2-CZ 2.66Å; E925-R959 IonicContact OE2-NE 3.59Å; E925-R959 IonicContact OE2-NH2 3.52Å; E925-R959 PolarHBondContact OE2-NH2 3.11Å; E925-I960 WeakPolarHBondContact CG-O 3.28Å |
| 926 | L | 87 | Confident | 75.2 | Confident | 46 Ų | 46 | 87.2 Ų | 87.2 | 24% | 0.241 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 141.5 | -175.2 | -59 | 177.9 | 0 | 0 | 0 | 110.8 | T924 I960 Q962 T968 | T924-L926 HydrophobicContact CG2-CD2 4.43Å; L926-I960 HydrophobicContact CB-CB 4.23Å; L926-I960 HydrophobicContact CB-CG2 4.01Å; L926-I960 HydrophobicContact CD1-CG2 4.3Å; L926-I960 PolarHBondContact N-O 2.96Å; L926-Q962 HydrophobicContact CD1-CB 4.24Å; L926-T968 HydrophobicContact CD1-CG2 4.09Å |
| 927 | E | 85 | Confident | 77.6 | Confident | 138 Ų | 138 | 80.5 Ų | 80.5 | 65% | 0.645 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -80.5 | -26 | 175.1 | -76 | -63.4 | 152.6 | 0 | 0 | 113.3 | K938 | E927-K938 PolarHBondContact O-N 3.35Š|
| 928 | Q | 89.7 | Confident | 79.5 | Confident | 82 Ų | 82 | 81.2 Ų | 81.2 | 38% | 0.383 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 159 | 178.7 | 67.4 | 177.4 | 43 | 0 | 0 | 111.9 | T935 Y936 K937 | Q928-T935 HydrophobicContact CB-CG2 4.01Å; Q928-T935 HydrophobicContact CG-CG2 4.28Å; Q928-Y936 CarbonylContact C-O 3.58Å; Q928-Y936 WeakPolarHBondContact CA-O 3.38Å; Q928-Y936 WeakPolarHBondContact CB-O 3.35Å; Q928-K937 HydrophobicContact CB-CG 3.96Å |
| 929 | V | 89.6 | Confident | 81.1 | Confident | 18 Ų | 18 | 74.2 Ų | 74.2 | 11% | 0.109 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 138.9 | 171.1 | 63.5 | 0 | 0 | 0 | 0 | 110.4 | V931 Y936 I960 T968 V1005 | V929-V931 HydrophobicContact CG1-CG2 4Å; V929-V931 HydrophobicContact CG2-CG2 4.2Å; V929-Y936 PolarHBondContact N-O 2.92Å; V929-Y936 PolarHBondContact O-N 2.68Å; V929-I960 HydrophobicContact CB-CG2 4.07Å; V929-I960 HydrophobicContact CG1-CD1 4.17Å; V929-I960 HydrophobicContact CG1-CG2 3.98Å; V929-T968 HydrophobicContact CG2-CG2 4.03Å; V929-V1005 HydrophobicContact CG1-CG2 3.79Å; V929-V1005 HydrophobicContact CG2-CG2 4.04Å |
| 930 | D | 89.5 | Confident | 82.8 | Confident | 99 Ų | 99 | 72.5 Ų | 72.5 | 53% | 0.529 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 118.2 | 177.6 | -72.1 | -62.1 | 0 | 0 | 0 | 110.4 | T935 | D930-T935 WeakPolarHBondContact OD1-CA 3.33Å; D930-T935 WeakPolarHBondContact OD1-CB 3.48Å; D930-T935 WeakPolarHBondContact OD1-CG2 3.48Å; D930-T935 PolarHBondContact OD1-N 2.61Å; D930-T935 PolarHBondContact OD1-OG1 3.24Å |
| 931 | V | 85.4 | Confident | 84.5 | Confident | 12 Ų | 12 | 69 Ų | 69 | 7% | 0.073 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 117.7 | -173.7 | -164.9 | 0 | 0 | 0 | 0 | 108.5 | V929 G933 V934 Y936 V1005 I1008 | V929-V931 HydrophobicContact CG1-CG2 4Å; V929-V931 HydrophobicContact CG2-CG2 4.2Å; V931-G933 PolarHBondContact O-N 3.26Å; V931-G933 VanDerWaalsContact O-N 3.14Å; V931-V934 PolarHBondContact N-O 2.99Å; V931-V934 PolarHBondContact O-N 3.39Å; V931-Y936 HydrophobicContact CB-CD2 4.04Å; V931-Y936 HydrophobicContact CB-CE2 3.83Å; V931-Y936 HydrophobicContact CG2-CD2 3.77Å; V931-Y936 HydrophobicContact CG2-CE2 4.08Å; V931-V1005 HydrophobicContact CG1-CG2 4.48Å; V931-V1005 HydrophobicContact CG2-CG2 3.37Å; V931-I1008 HydrophobicContact CG1-CB 4.31Å |
| 932 | R | 85.2 | Confident | 86 | Confident | 168 Ų | 168 | 60.9 Ų | 60.9 | 63% | 0.634 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 36.1 | 179.9 | -53.7 | 171.7 | -164.7 | -161.8 | 3.3 | 113 | E1006 I1008 | R932-E1006 PolarHBondContact NH2-O 3.41Å; R932-I1008 PolarHBondContact NE-O 3.28Å; R932-I1008 PolarHBondContact NH2-O 3.16Å |
| 933 | G | 83.8 | Confident | 87.1 | Confident | 80 Ų | 80 | 55 Ų | 55 | 83% | 0.825 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.5 | 6.3 | -178 | 0 | 0 | 0 | 0 | 0 | 115.6 | V931 | V931-G933 PolarHBondContact O-N 3.26Å; V931-G933 VanDerWaalsContact O-N 3.14Å |
| 934 | V | 86.4 | Confident | 87.9 | Confident | 51 Ų | 51 | 54.4 Ų | 54.4 | 31% | 0.309 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 120.7 | 179.5 | -179.5 | 0 | 0 | 0 | 0 | 110.4 | V931 Y936 K1011 | V931-V934 PolarHBondContact N-O 2.99Å; V931-V934 PolarHBondContact O-N 3.39Å; V934-Y936 HydrophobicContact CB-CE2 3.76Å; V934-Y936 HydrophobicContact CG1-CD2 4.29Å; V934-Y936 HydrophobicContact CG1-CE1 4.46Å; V934-Y936 HydrophobicContact CG1-CE2 3.64Å; V934-Y936 WeakPolarHBondContact O-CD2 3.21Å; V934-Y936 VanDerWaalsContact O-CE2 3.26Å; V934-Y936 WeakPolarHBondContact O-CE2 3.47Å; V934-K1011 HydrophobicContact CG1-CD 3.66Å; V934-K1011 VanDerWaalsContact CG1-CE 3.44Å; V934-K1011 HydrophobicContact CG1-CG 3.97Å |
| 935 | T | 89.3 | Confident | 87.9 | Confident | 50 Ų | 50 | 54.1 Ų | 54.1 | 31% | 0.307 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 124.1 | 173.1 | -38.9 | 0 | 0 | 0 | 0 | 111.2 | Q928 D930 K1011 | Q928-T935 HydrophobicContact CB-CG2 4.01Å; Q928-T935 HydrophobicContact CG-CG2 4.28Å; D930-T935 WeakPolarHBondContact OD1-CA 3.33Å; D930-T935 WeakPolarHBondContact OD1-CB 3.48Å; D930-T935 WeakPolarHBondContact OD1-CG2 3.48Å; D930-T935 PolarHBondContact OD1-N 2.61Å; D930-T935 PolarHBondContact OD1-OG1 3.24Å; T935-K1011 WeakPolarHBondContact O-CE 3.39Å; T935-K1011 PolarHBondContact O-NZ 3.4Å |
| 936 | Y | 90.4 | Very high | 87.1 | Confident | 3 Ų | 3 | 51.3 Ų | 51.3 | 1% | 0.012 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 141.2 | 169.1 | -62.6 | -96.1 | 0 | 0 | 0 | 109.3 | Q928 V929 V931 V934 A942 I957 I1008 G1010 K1011 | Q928-Y936 CarbonylContact C-O 3.58Å; Q928-Y936 WeakPolarHBondContact CA-O 3.38Å; Q928-Y936 WeakPolarHBondContact CB-O 3.35Å; V929-Y936 PolarHBondContact N-O 2.92Å; V929-Y936 PolarHBondContact O-N 2.68Å; V931-Y936 HydrophobicContact CB-CD2 4.04Å; V931-Y936 HydrophobicContact CB-CE2 3.83Å; V931-Y936 HydrophobicContact CG2-CD2 3.77Å; V931-Y936 HydrophobicContact CG2-CE2 4.08Å; V934-Y936 HydrophobicContact CB-CE2 3.76Å; V934-Y936 HydrophobicContact CG1-CD2 4.29Å; V934-Y936 HydrophobicContact CG1-CE1 4.46Å; V934-Y936 HydrophobicContact CG1-CE2 3.64Å; V934-Y936 WeakPolarHBondContact O-CD2 3.21Å; V934-Y936 VanDerWaalsContact O-CE2 3.26Å; V934-Y936 WeakPolarHBondContact O-CE2 3.47Å; Y936-A942 HydrophobicContact CD1-CB 3.91Å; Y936-A942 HydrophobicContact CE1-CB 3.65Å; Y936-I957 HydrophobicContact CD1-CD1 4.09Å; Y936-I957 HydrophobicContact CG-CD1 4.25Å; Y936-I1008 HydrophobicContact CE1-CG2 3.92Å; Y936-I1008 HydrophobicContact CE2-CG2 3.86Å; Y936-G1010 WeakPolarHBondContact OH-CA 3.39Å; Y936-G1010 PolarHBondContact OH-O 2.83Å; Y936-K1011 HydrophobicContact CD1-CG 4.24Å; Y936-K1011 HydrophobicContact CE1-CD 4.38Å; Y936-K1011 HydrophobicContact CE1-CG 3.44Å; Y936-K1011 VanDerWaalsContact CE1-CG 3.44Å; Y936-K1011 PolarHBondContact OH-N 2.86Å |
| 937 | K | 90.3 | Very high | 85.9 | Confident | 86 Ų | 86 | 61.4 Ų | 61.4 | 37% | 0.374 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 166.3 | 179.3 | -57 | -158.2 | 176 | -151.3 | 0 | 110.8 | Q928 G939 S940 | Q928-K937 HydrophobicContact CB-CG 3.96Å; K937-G939 PolarHBondContact O-N 3.43Å; K937-S940 VanDerWaalsContact O-CB 3.31Å; K937-S940 WeakPolarHBondContact O-CB 3.39Å; K937-S940 PolarHBondContact O-N 3.38Å |
| 938 | K | 88.1 | Confident | 84.7 | Confident | 96 Ų | 96 | 62.8 Ų | 62.8 | 42% | 0.417 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | 126.4 | 164.1 | -169 | 167.9 | -177.1 | 168.5 | 0 | 110.4 | E927 K958 | E927-K938 PolarHBondContact O-N 3.35Å; K938-K958 WeakPolarHBondContact CE-O 3.43Å |
| 939 | G | 87.3 | Confident | 83 | Confident | 12 Ų | 12 | 61.4 Ų | 61.4 | 12% | 0.124 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90 | -10.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | K937 I957 | K937-G939 PolarHBondContact O-N 3.43Å; G939-I957 PolarHBondContact N-O 3.36Å |
| 940 | S | 91.5 | Very high | 81.2 | Confident | 4 Ų | 4 | 66.3 Ų | 66.3 | 3% | 0.028 | 36% | 0.356 | C | S | . | . | trans | -75.4 | 149 | 177.3 | -69.8 | 0 | 0 | 0 | 0 | 113.1 | K937 I957 E1059 | K937-S940 VanDerWaalsContact O-CB 3.31Å; K937-S940 WeakPolarHBondContact O-CB 3.39Å; K937-S940 PolarHBondContact O-N 3.38Å; S940-I957 PolarHBondContact O-N 2.96Å; S940-E1059 VanDerWaalsContact CA-OE1 3.3Å; S940-E1059 WeakPolarHBondContact CA-OE1 3.5Å; S940-E1059 VanDerWaalsContact CB-OE1 3.27Å; S940-E1059 WeakPolarHBondContact CB-OE1 3.48Å; S940-E1059 PolarHBondContact OG-OE1 3.41Å | ||
| 941 | F | 93.2 | Very high | 80 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 0% | 0.004 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 147.2 | 173 | -70.3 | -89.6 | 0 | 0 | 0 | 112 | I955 Q956 Y975 C1012 I1013 V1014 P1057 E1059 | F941-I955 CarbonylContact C-O 3.28Å; F941-I955 VanDerWaalsContact CA-O 3.3Å; F941-I955 WeakPolarHBondContact CA-O 3.46Å; F941-Q956 HydrophobicContact CD1-CB 3.8Å; F941-Q956 HydrophobicContact CD1-CG 4.15Å; F941-Q956 HydrophobicContact CD2-CG 4.49Å; F941-Q956 HydrophobicContact CE1-CB 3.48Å; F941-Q956 VanDerWaalsContact CE1-CB 3.48Å; F941-Q956 HydrophobicContact CE1-CG 3.71Å; F941-Q956 HydrophobicContact CE2-CG 4.07Å; F941-Q956 HydrophobicContact CZ-CB 3.97Å; F941-Q956 HydrophobicContact CZ-CG 3.66Å; F941-Y975 HydrophobicContact CD1-CE2 4.5Å; F941-Y975 HydrophobicContact CE1-CD2 4.47Å; F941-Y975 AromaticContact CE1-CE2 3.79Å; F941-Y975 HydrophobicContact CE1-CE2 3.79Å; F941-C1012 CarbonylContact C-O 3.55Å; F941-C1012 WeakPolarHBondContact CB-O 3.13Å; F941-I1013 HydrophobicContact CD2-CG1 4.09Å; F941-V1014 HydrophobicContact CD1-CB 3.92Å; F941-V1014 HydrophobicContact CD1-CG2 3.6Å; F941-V1014 HydrophobicContact CE1-CB 3.52Å; F941-V1014 HydrophobicContact CE1-CG2 3.64Å; F941-V1014 WeakPolarHBondContact CE2-O 3.38Å; F941-V1014 HydrophobicContact CG-CG2 4.41Å; F941-V1014 HydrophobicContact CZ-CB 3.92Å; F941-V1014 HydrophobicContact CZ-CG2 4.49Å; F941-P1057 HydrophobicContact CE1-CB 4.29Å; F941-P1057 HydrophobicContact CZ-CB 3.68Å; F941-E1059 HydrophobicContact CD2-CB 3.99Å; F941-E1059 HydrophobicContact CE2-CB 4Å |
| 942 | A | 91.7 | Very high | 79.6 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 147.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y936 C954 I955 I957 I1008 | Y936-A942 HydrophobicContact CD1-CB 3.91Å; Y936-A942 HydrophobicContact CE1-CB 3.65Å; A942-C954 WeakPolarHBondContact O-CA 3.41Å; A942-I955 HydrophobicContact CB-CG2 4.13Å; A942-I955 PolarHBondContact N-O 3.42Å; A942-I955 PolarHBondContact O-N 2.85Å; A942-I957 HydrophobicContact CB-CD1 4.34Å; A942-I1008 HydrophobicContact CB-CD1 4.42Å; A942-I1008 HydrophobicContact CB-CG1 4.44Å; A942-I1008 HydrophobicContact CB-CG2 4Å |
| 943 | Y | 91.3 | Very high | 79.5 | Confident | 21 Ų | 21 | 62.4 Ų | 62.4 | 8% | 0.082 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 133.9 | 164.3 | -73.3 | -58.6 | 0 | 0 | 0 | 110.4 | F952 Q953 I1008 V1009 G1010 C1012 D1032 Y1034 | Y943-F952 HydrophobicContact CD1-CB 3.71Å; Y943-F952 HydrophobicContact CD1-CG 4.44Å; Y943-F952 HydrophobicContact CE1-CB 4.29Å; Y943-F952 HydrophobicContact CG-CB 4.27Å; Y943-Q953 WeakPolarHBondContact CA-O 3.37Å; Y943-I1008 WeakPolarHBondContact O-CA 3.48Å; Y943-V1009 PolarHBondContact O-N 3.04Å; Y943-G1010 PolarHBondContact N-O 3.13Å; Y943-C1012 HydrophobicContact CD1-CB 4Å; Y943-C1012 HydrophobicContact CD2-CB 3.93Å; Y943-C1012 HydrophobicContact CE1-CB 3.79Å; Y943-C1012 HydrophobicContact CE2-CB 3.71Å; Y943-C1012 HydrophobicContact CG-CB 4.08Å; Y943-D1032 HydrophobicContact CE2-CB 4.48Å; Y943-D1032 WeakPolarHBondContact CE2-OD1 3.31Å; Y943-D1032 PolarHBondContact OH-OD1 3.02Å; Y943-Y1034 AromaticContact CE1-CE2 3.66Å; Y943-Y1034 HydrophobicContact CE1-CE2 3.66Å; Y943-Y1034 AromaticContact CE1-CZ 3.97Å; Y943-Y1034 WeakPolarHBondContact CE1-OH 3.41Å; Y943-Y1034 AromaticContact CZ-CE2 3.78Å; Y943-Y1034 VanDerWaalsContact OH-CE2 3.27Å; Y943-Y1034 WeakPolarHBondContact OH-CE2 3.36Å; Y943-Y1034 PolarHBondContact OH-OH 3.06Å |
| 944 | V | 88.1 | Confident | 79.8 | Confident | 7 Ų | 7 | 58.7 Ų | 58.7 | 4% | 0.042 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 149.9 | 171.1 | -64.2 | 0 | 0 | 0 | 0 | 110.6 | S946 F952 Q953 I955 L1003 N1007 I1008 | V944-S946 PolarHBondContact O-N 2.83Å; V944-F952 WeakPolarHBondContact O-CA 3.25Å; V944-Q953 HydrophobicContact CG2-CB 4.12Å; V944-Q953 WeakPolarHBondContact CG2-O 3.45Å; V944-Q953 PolarHBondContact N-O 2.78Å; V944-Q953 PolarHBondContact O-N 3.11Å; V944-I955 HydrophobicContact CG1-CG2 3.71Å; V944-L1003 HydrophobicContact CB-CD1 4.4Å; V944-L1003 HydrophobicContact CG1-CD1 3.56Å; V944-L1003 HydrophobicContact CG1-CD2 4.11Å; V944-N1007 WeakPolarHBondContact CA-O 3.35Å; V944-I1008 HydrophobicContact CG1-CG1 4.21Å |
| 945 | L | 79.8 | Confident | 80 | Confident | 83 Ų | 83 | 56.2 Ų | 56.2 | 44% | 0.435 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 127.7 | 173.4 | -77.1 | 156.4 | 0 | 0 | 0 | 110.5 | F952 N1007 V1009 | L945-F952 HydrophobicContact CD2-CE1 4.16Å; L945-N1007 PolarHBondContact N-O 3.17Å; L945-V1009 HydrophobicContact CD1-CG2 4.28Å; L945-V1009 HydrophobicContact CD2-CG2 4.44Å; L945-V1009 HydrophobicContact CG-CG2 3.75Å |
| 946 | S | 67 | Low | 80.2 | Confident | 21 Ų | 21 | 54.4 Ų | 54.4 | 15% | 0.147 | 28% | 0.275 | C | S | . | . | trans | -66.2 | 152.1 | 164.7 | -178.5 | 0 | 0 | 0 | 0 | 110.4 | V944 E948 G949 N951 | V944-S946 PolarHBondContact O-N 2.83Å; S946-E948 PolarHBondContact O-N 2.99Å; S946-E948 VanDerWaalsContact O-N 3.08Å; S946-G949 PolarHBondContact O-N 3.43Å; S946-N951 WeakPolarHBondContact CB-O 3.33Å; S946-N951 PolarHBondContact N-O 3.27Å | ||
| 947 | R | 62.1 | Low | 80.2 | Confident | 257 Ų | 257 | 54.2 Ų | 54.2 | 97% | 0.97 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -22.8 | 175.9 | -74.6 | -176 | 172 | -175 | -2.8 | 113.6 | ||
| 948 | E | 59 | Low | 80.1 | Confident | 167 Ų | 167 | 54.2 Ų | 54.2 | 78% | 0.78 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | 7.3 | -177.4 | -63.6 | 175.5 | -173.6 | 0 | 0 | 112.8 | S946 C950 | S946-E948 PolarHBondContact O-N 2.99Å; S946-E948 VanDerWaalsContact O-N 3.08Å; E948-C950 PolarHBondContact O-N 2.84Å; E948-C950 PolarHBondContact O-SG 3.01Å |
| 949 | G | 54.2 | Low | 80.2 | Confident | 54 Ų | 54 | 53.6 Ų | 53.6 | 56% | 0.557 | 27% | 0.27 | S | S | * | . | S | Bend | trans | 69.6 | -20.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | S946 | S946-G949 PolarHBondContact O-N 3.43Š|
| 950 | C | 52.3 | Low | 80.3 | Confident | 121 Ų | 121 | 53 Ų | 53 | 82% | 0.818 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -87.5 | -14.4 | -169.6 | -60.5 | 0 | 0 | 0 | 0 | 114.8 | E948 | E948-C950 PolarHBondContact O-N 2.84Å; E948-C950 PolarHBondContact O-SG 3.01Å |
| 951 | N | 64.4 | Low | 80.2 | Confident | 58 Ų | 58 | 53.4 Ų | 53.4 | 31% | 0.31 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -143.9 | 153.3 | -175.8 | -100.5 | -31.7 | 0 | 0 | 0 | 112.5 | S946 R977 E979 | S946-N951 WeakPolarHBondContact CB-O 3.33Å; S946-N951 PolarHBondContact N-O 3.27Å; N951-R977 PolarHBondContact OD1-NH1 3.24Å; N951-E979 PolarHBondContact ND2-OE1 3.17Å; N951-E979 PolarHBondContact OD1-OE1 2.93Å |
| 952 | F | 76.2 | Confident | 79.8 | Confident | 85 Ų | 85 | 56.4 Ų | 56.4 | 37% | 0.373 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 131.2 | 172.7 | -56.1 | -58.8 | 0 | 0 | 0 | 110.9 | Y943 V944 L945 V1009 | Y943-F952 HydrophobicContact CD1-CB 3.71Å; Y943-F952 HydrophobicContact CD1-CG 4.44Å; Y943-F952 HydrophobicContact CE1-CB 4.29Å; Y943-F952 HydrophobicContact CG-CB 4.27Å; V944-F952 WeakPolarHBondContact O-CA 3.25Å; L945-F952 HydrophobicContact CD2-CE1 4.16Å; F952-V1009 HydrophobicContact CD1-CB 4.47Å; F952-V1009 HydrophobicContact CD1-CG2 4.06Å; F952-V1009 HydrophobicContact CE1-CB 4.24Å; F952-V1009 HydrophobicContact CE1-CG1 3.85Å; F952-V1009 HydrophobicContact CE1-CG2 3.92Å; F952-V1009 HydrophobicContact CZ-CG1 4.18Å |
| 953 | Q | 82.9 | Confident | 79.1 | Confident | 53 Ų | 53 | 57.6 Ų | 57.6 | 25% | 0.248 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 154.2 | 168.2 | -70.7 | -179 | -13.3 | 0 | 0 | 110 | Y943 V944 | Y943-Q953 WeakPolarHBondContact CA-O 3.37Å; V944-Q953 HydrophobicContact CG2-CB 4.12Å; V944-Q953 WeakPolarHBondContact CG2-O 3.45Å; V944-Q953 PolarHBondContact N-O 2.78Å; V944-Q953 PolarHBondContact O-N 3.11Å |
| 954 | C | 90 | Very high | 78.2 | Confident | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.014 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 137.6 | 178 | -60.1 | 0 | 0 | 0 | 0 | 109.7 | A942 Y975 C1012 V1014 | A942-C954 WeakPolarHBondContact O-CA 3.41Å; C954-Y975 PolarHBondContact N-O 3.38Å; C954-Y975 PolarHBondContact O-N 2.84Å; C954-C1012 VanDerWaalsContact SG-SG 3.7Å; C954-V1014 HydrophobicContact CB-CG2 4.19Å |
| 955 | I | 91.5 | Very high | 77.4 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 136.7 | 175.1 | -165 | 172.3 | 0 | 0 | 0 | 111 | F941 A942 V944 S973 T974 L1003 | F941-I955 CarbonylContact C-O 3.28Å; F941-I955 VanDerWaalsContact CA-O 3.3Å; F941-I955 WeakPolarHBondContact CA-O 3.46Å; A942-I955 HydrophobicContact CB-CG2 4.13Å; A942-I955 PolarHBondContact N-O 3.42Å; A942-I955 PolarHBondContact O-N 2.85Å; V944-I955 HydrophobicContact CG1-CG2 3.71Å; I955-S973 WeakPolarHBondContact CA-O 3.4Å; I955-T974 HydrophobicContact CB-CG2 4.45Å; I955-T974 HydrophobicContact CD1-CG2 3.93Å; I955-T974 HydrophobicContact CG1-CG2 3.98Å; I955-L1003 HydrophobicContact CD1-CD2 3.7Å |
| 956 | Q | 92.7 | Very high | 76.9 | Confident | 11 Ų | 11 | 65.9 Ų | 65.9 | 5% | 0.051 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 111.8 | 168 | -168 | -167.3 | 33.1 | 0 | 0 | 109.1 | F941 K958 G972 S973 Y975 S1058 | F941-Q956 HydrophobicContact CD1-CB 3.8Å; F941-Q956 HydrophobicContact CD1-CG 4.15Å; F941-Q956 HydrophobicContact CD2-CG 4.49Å; F941-Q956 HydrophobicContact CE1-CB 3.48Å; F941-Q956 VanDerWaalsContact CE1-CB 3.48Å; F941-Q956 HydrophobicContact CE1-CG 3.71Å; F941-Q956 HydrophobicContact CE2-CG 4.07Å; F941-Q956 HydrophobicContact CZ-CB 3.97Å; F941-Q956 HydrophobicContact CZ-CG 3.66Å; Q956-K958 PolarHBondContact O-N 3.36Å; Q956-K958 VanDerWaalsContact O-N 3.14Å; Q956-K958 VanDerWaalsContact OE1-CE 3.23Å; Q956-G972 CarbonylContact O-C 3.57Å; Q956-G972 WeakPolarHBondContact O-CA 3.48Å; Q956-S973 PolarHBondContact N-O 2.83Å; Q956-S973 PolarHBondContact O-N 2.92Å; Q956-S973 VanDerWaalsContact O-N 3.11Å; Q956-Y975 HydrophobicContact CB-CE2 4Å; Q956-S1058 PolarHBondContact NE2-O 3.01Å |
| 957 | I | 91.3 | Very high | 77.6 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 111.3 | -175.6 | -61.7 | 168.4 | 0 | 0 | 0 | 109.7 | Y936 G939 S940 A942 I960 V970 I1008 | Y936-I957 HydrophobicContact CD1-CD1 4.09Å; Y936-I957 HydrophobicContact CG-CD1 4.25Å; G939-I957 PolarHBondContact N-O 3.36Å; S940-I957 PolarHBondContact O-N 2.96Å; A942-I957 HydrophobicContact CB-CD1 4.34Å; I957-I960 HydrophobicContact CG2-CD1 4.06Å; I957-I960 HydrophobicContact CG2-CG1 3.52Å; I957-V970 HydrophobicContact CG2-CB 4.4Å; I957-V970 HydrophobicContact CG2-CG1 4.45Å; I957-I1008 HydrophobicContact CD1-CD1 4.25Å |
| 958 | K | 88.2 | Confident | 78.9 | Confident | 86 Ų | 86 | 57.3 Ų | 57.3 | 37% | 0.374 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | -32.3 | 177.2 | -61.1 | -66.9 | -163 | -175 | 0 | 112.3 | K938 Q956 C971 S973 | K938-K958 WeakPolarHBondContact CE-O 3.43Å; Q956-K958 PolarHBondContact O-N 3.36Å; Q956-K958 VanDerWaalsContact O-N 3.14Å; Q956-K958 VanDerWaalsContact OE1-CE 3.23Å; K958-C971 WeakPolarHBondContact CA-O 3.45Å; K958-C971 PolarHBondContact N-O 3.45Å; K958-S973 WeakPolarHBondContact CE-OG 3.45Å |
| 959 | R | 89 | Confident | 80.3 | Confident | 82 Ų | 82 | 51.7 Ų | 51.7 | 31% | 0.309 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 154.1 | 174.7 | -55.5 | -177 | 81 | 179.7 | 7.1 | 111.3 | E925 W961 V970 C971 | E925-R959 VanDerWaalsContact CD-NH2 3.32Å; E925-R959 IonicContact OE1-CZ 2.76Å; E925-R959 IonicContact OE1-NE 2.76Å; E925-R959 PolarHBondContact OE1-NE 2.88Å; E925-R959 IonicContact OE1-NH2 3.78Å; E925-R959 PolarHBondContact OE1-NH2 2.79Å; E925-R959 IonicContact OE2-CZ 2.66Å; E925-R959 IonicContact OE2-NE 3.59Å; E925-R959 IonicContact OE2-NH2 3.52Å; E925-R959 PolarHBondContact OE2-NH2 3.11Å; R959-W961 HydrophobicContact CB-CE3 4.38Å; R959-W961 HydrophobicContact CB-CZ3 4.44Å; R959-V970 WeakPolarHBondContact O-CA 3.34Å; R959-C971 HydrophobicContact CB-CB 4.35Å; R959-C971 PolarHBondContact N-O 2.99Å; R959-C971 PolarHBondContact O-N 3.4Å |
| 960 | I | 90.6 | Very high | 82 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 135.7 | 173.7 | -49.6 | 166.2 | 0 | 0 | 0 | 106.6 | E925 L926 V929 I957 T968 F969 V970 | E925-I960 WeakPolarHBondContact CG-O 3.28Å; L926-I960 HydrophobicContact CB-CB 4.23Å; L926-I960 HydrophobicContact CB-CG2 4.01Å; L926-I960 HydrophobicContact CD1-CG2 4.3Å; L926-I960 PolarHBondContact N-O 2.96Å; V929-I960 HydrophobicContact CB-CG2 4.07Å; V929-I960 HydrophobicContact CG1-CD1 4.17Å; V929-I960 HydrophobicContact CG1-CG2 3.98Å; I957-I960 HydrophobicContact CG2-CD1 4.06Å; I957-I960 HydrophobicContact CG2-CG1 3.52Å; I960-T968 HydrophobicContact CG2-CG2 4.1Å; I960-F969 WeakPolarHBondContact CA-O 3.4Å; I960-V970 HydrophobicContact CG1-CG1 4.19Å; I960-V970 HydrophobicContact CG2-CG1 4.24Å |
| 961 | W | 88.7 | Confident | 83.8 | Confident | 12 Ų | 12 | 44.6 Ų | 44.6 | 5% | 0.045 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 156.7 | 174 | 69.3 | 96.3 | 0 | 0 | 0 | 111.9 | L919 A923 T924 R959 T968 F969 C971 Q1002 | L919-W961 HydrophobicContact CD2-CB 4.42Å; L919-W961 HydrophobicContact CD2-CD2 3.65Å; L919-W961 HydrophobicContact CD2-CE3 4.14Å; L919-W961 HydrophobicContact CD2-CG 3.78Å; L919-W961 HydrophobicContact CD2-CZ2 4.46Å; A923-W961 HydrophobicContact CB-CG 4.43Å; T924-W961 CarbonylContact O-C 3.53Å; T924-W961 WeakPolarHBondContact O-CA 3.46Å; T924-W961 WeakPolarHBondContact O-CB 3.47Å; R959-W961 HydrophobicContact CB-CE3 4.38Å; R959-W961 HydrophobicContact CB-CZ3 4.44Å; W961-T968 CarbonylContact O-C 3.58Å; W961-T968 WeakPolarHBondContact O-CA 3.44Å; W961-F969 HydrophobicContact CD2-CB 4.01Å; W961-F969 HydrophobicContact CE3-CB 4.34Å; W961-F969 HydrophobicContact CH2-CB 3.86Å; W961-F969 HydrophobicContact CZ2-CB 3.51Å; W961-F969 HydrophobicContact CZ2-CG 4.14Å; W961-F969 HydrophobicContact CZ3-CB 4.24Å; W961-F969 PolarHBondContact N-O 3.27Å; W961-F969 AromaticContact NE1-CD2 3.9Å; W961-F969 PolarHBondContact O-N 3.19Å; W961-C971 HydrophobicContact CH2-CB 3.72Å; W961-C971 HydrophobicContact CZ3-CB 3.39Å; W961-Q1002 HydrophobicContact CH2-CG 3.92Å; W961-Q1002 HydrophobicContact CZ2-CG 4.17Å |
| 962 | Q | 85.4 | Confident | 84.9 | Confident | 63 Ų | 63 | 41.8 Ų | 41.8 | 29% | 0.294 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 137.3 | 173.5 | -172.4 | 174.9 | 0.6 | 0 | 0 | 109.4 | A923 T924 L926 A965 D967 | A923-Q962 CarbonylContact C-O 3.59Å; A923-Q962 WeakPolarHBondContact CA-O 3.45Å; T924-Q962 PolarHBondContact N-O 3.06Å; T924-Q962 PolarHBondContact O-N 3.46Å; L926-Q962 HydrophobicContact CD1-CB 4.24Å; Q962-A965 PolarHBondContact NE2-O 2.95Å; Q962-D967 WeakPolarHBondContact CA-O 3.47Å |
| 963 | A | 76.6 | Confident | 85.5 | Confident | 26 Ų | 26 | 38.7 Ų | 38.7 | 22% | 0.215 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 105.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | D967 F969 | A963-D967 PolarHBondContact N-O 3.33Å; A963-F969 HydrophobicContact CB-CD2 4.44Å; A963-F969 HydrophobicContact CB-CE2 4.25Å |
| 964 | G | 72.6 | Confident | 85.9 | Confident | 56 Ų | 56 | 37 Ų | 37 | 58% | 0.577 | 22% | 0.216 | S | C | * | . | S | Bend | trans | 79.7 | -173.1 | -168.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | N966 | G964-N966 PolarHBondContact O-N 3.16Š|
| 965 | A | 70.1 | Confident | 85.9 | Confident | 86 Ų | 86 | 37.1 Ų | 37.1 | 71% | 0.711 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -65.6 | -39.5 | -164.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q962 | Q962-A965 PolarHBondContact NE2-O 2.95Š|
| 966 | N | 70.2 | Confident | 85.7 | Confident | 143 Ų | 143 | 37.6 Ų | 37.6 | 77% | 0.765 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -123.2 | -24.7 | -172.6 | -69.9 | -8.7 | 0 | 0 | 0 | 114.5 | G964 T968 | G964-N966 PolarHBondContact O-N 3.16Å; N966-T968 PolarHBondContact O-N 3.19Å |
| 967 | D | 81.5 | Confident | 85.4 | Confident | 79 Ų | 79 | 39.5 Ų | 39.5 | 42% | 0.422 | 23% | 0.226 | S | C | . | . | trans | -77.1 | 110.1 | -172 | -69.9 | -73.3 | 0 | 0 | 0 | 112.6 | Q962 A963 F969 N1004 | Q962-D967 WeakPolarHBondContact CA-O 3.47Å; A963-D967 PolarHBondContact N-O 3.33Å; D967-F969 HydrophobicContact CB-CE2 3.68Å; D967-F969 HydrophobicContact CB-CZ 4.11Å; D967-N1004 PolarHBondContact OD1-ND2 3.48Å | ||
| 968 | T | 88.8 | Confident | 85 | Confident | 18 Ų | 18 | 39.9 Ų | 39.9 | 11% | 0.11 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 132.4 | 174.1 | -55.2 | 0 | 0 | 0 | 0 | 110.3 | L926 V929 I960 W961 N966 N1004 V1005 | L926-T968 HydrophobicContact CD1-CG2 4.09Å; V929-T968 HydrophobicContact CG2-CG2 4.03Å; I960-T968 HydrophobicContact CG2-CG2 4.1Å; W961-T968 CarbonylContact O-C 3.58Å; W961-T968 WeakPolarHBondContact O-CA 3.44Å; N966-T968 PolarHBondContact O-N 3.19Å; T968-N1004 WeakPolarHBondContact O-CA 3.33Å; T968-V1005 HydrophobicContact CG2-CB 4.39Å; T968-V1005 HydrophobicContact CG2-CG1 4.34Å; T968-V1005 WeakPolarHBondContact O-CB 3.41Å; T968-V1005 PolarHBondContact O-N 2.81Å |
| 969 | F | 89.6 | Confident | 84.5 | Confident | 49 Ų | 49 | 39.1 Ų | 39.1 | 22% | 0.215 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 150.6 | -176.1 | -64.4 | -88.3 | 0 | 0 | 0 | 111.4 | I960 W961 A963 D967 L1003 N1004 | I960-F969 WeakPolarHBondContact CA-O 3.4Å; W961-F969 HydrophobicContact CD2-CB 4.01Å; W961-F969 HydrophobicContact CE3-CB 4.34Å; W961-F969 HydrophobicContact CH2-CB 3.86Å; W961-F969 HydrophobicContact CZ2-CB 3.51Å; W961-F969 HydrophobicContact CZ2-CG 4.14Å; W961-F969 HydrophobicContact CZ3-CB 4.24Å; W961-F969 PolarHBondContact N-O 3.27Å; W961-F969 AromaticContact NE1-CD2 3.9Å; W961-F969 PolarHBondContact O-N 3.19Å; A963-F969 HydrophobicContact CB-CD2 4.44Å; A963-F969 HydrophobicContact CB-CE2 4.25Å; D967-F969 HydrophobicContact CB-CE2 3.68Å; D967-F969 HydrophobicContact CB-CZ 4.11Å; F969-L1003 WeakPolarHBondContact CA-O 3.4Å; F969-N1004 HydrophobicContact CD1-CB 4.22Å; F969-N1004 HydrophobicContact CE1-CB 4.08Å |
| 970 | V | 89.9 | Confident | 84.1 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 145.9 | 167.2 | -57.6 | 0 | 0 | 0 | 0 | 110.5 | I957 R959 I960 Q1002 L1003 V1005 I1008 | I957-V970 HydrophobicContact CG2-CB 4.4Å; I957-V970 HydrophobicContact CG2-CG1 4.45Å; R959-V970 WeakPolarHBondContact O-CA 3.34Å; I960-V970 HydrophobicContact CG1-CG1 4.19Å; I960-V970 HydrophobicContact CG2-CG1 4.24Å; V970-Q1002 WeakPolarHBondContact O-CA 3.5Å; V970-L1003 HydrophobicContact CG2-CD1 3.67Å; V970-L1003 HydrophobicContact CG2-CD2 4.26Å; V970-L1003 HydrophobicContact CG2-CG 3.65Å; V970-L1003 PolarHBondContact N-O 3.14Å; V970-L1003 PolarHBondContact O-N 3.04Å; V970-L1003 VanDerWaalsContact O-N 3.12Å; V970-V1005 HydrophobicContact CG1-CG2 4.21Å; V970-I1008 HydrophobicContact CG1-CD1 4.21Å; V970-I1008 HydrophobicContact CG2-CD1 4.21Å |
| 971 | C | 88.8 | Confident | 83.6 | Confident | 26 Ų | 26 | 38.6 Ų | 38.6 | 18% | 0.176 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 133.4 | 173 | 167.5 | 0 | 0 | 0 | 0 | 108.4 | K958 R959 W961 I1000 G1001 | K958-C971 WeakPolarHBondContact CA-O 3.45Å; K958-C971 PolarHBondContact N-O 3.45Å; R959-C971 HydrophobicContact CB-CB 4.35Å; R959-C971 PolarHBondContact N-O 2.99Å; R959-C971 PolarHBondContact O-N 3.4Å; W961-C971 HydrophobicContact CH2-CB 3.72Å; W961-C971 HydrophobicContact CZ3-CB 3.39Å; C971-I1000 WeakPolarHBondContact SG-CG2 3.32Å; C971-G1001 WeakPolarHBondContact CA-O 3.08Å |
| 972 | G | 88.1 | Confident | 83 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.8 | 161.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q956 T974 I1000 G1001 | Q956-G972 CarbonylContact O-C 3.57Å; Q956-G972 WeakPolarHBondContact O-CA 3.48Å; G972-T974 PolarHBondContact O-N 3.49Å; G972-I1000 CarbonylContact O-C 3.56Å; G972-I1000 WeakPolarHBondContact O-CA 3.21Å; G972-G1001 PolarHBondContact N-O 3.22Å; G972-G1001 PolarHBondContact O-N 3.2Å |
| 973 | S | 89.5 | Confident | 82.3 | Confident | 20 Ų | 20 | 43.9 Ų | 43.9 | 14% | 0.14 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 121.3 | 172.9 | -63 | 0 | 0 | 0 | 0 | 109.2 | I955 Q956 K958 Y975 | I955-S973 WeakPolarHBondContact CA-O 3.4Å; Q956-S973 PolarHBondContact N-O 2.83Å; Q956-S973 PolarHBondContact O-N 2.92Å; Q956-S973 VanDerWaalsContact O-N 3.11Å; K958-S973 WeakPolarHBondContact CE-OG 3.45Å; S973-Y975 WeakPolarHBondContact O-CD2 3.33Å; S973-Y975 WeakPolarHBondContact O-CE2 3.45Å |
| 974 | T | 90 | Very high | 81.7 | Confident | 18 Ų | 18 | 45.7 Ų | 45.7 | 11% | 0.11 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 146.6 | 179.4 | 59.6 | 0 | 0 | 0 | 0 | 111.8 | I955 G972 S997 F999 | I955-T974 HydrophobicContact CB-CG2 4.45Å; I955-T974 HydrophobicContact CD1-CG2 3.93Å; I955-T974 HydrophobicContact CG1-CG2 3.98Å; G972-T974 PolarHBondContact O-N 3.49Å; T974-S997 WeakPolarHBondContact O-CB 3.45Å; T974-S997 PolarHBondContact O-N 2.91Å; T974-S997 PolarHBondContact O-OG 3.19Å; T974-S997 VanDerWaalsContact O-OG 3.14Å; T974-S997 PolarHBondContact OG1-OG 3.33Å; T974-F999 PolarHBondContact N-O 3.03Å; T974-F999 PolarHBondContact OG1-O 2.86Å |
| 975 | Y | 91.7 | Very high | 81.3 | Confident | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 129.5 | 177.9 | -61.4 | -103.9 | 0 | 0 | 0 | 108.8 | F941 C954 Q956 S973 V994 F995 L996 V1014 C1036 P1057 | F941-Y975 HydrophobicContact CD1-CE2 4.5Å; F941-Y975 HydrophobicContact CE1-CD2 4.47Å; F941-Y975 AromaticContact CE1-CE2 3.79Å; F941-Y975 HydrophobicContact CE1-CE2 3.79Å; C954-Y975 PolarHBondContact N-O 3.38Å; C954-Y975 PolarHBondContact O-N 2.84Å; Q956-Y975 HydrophobicContact CB-CE2 4Å; S973-Y975 WeakPolarHBondContact O-CD2 3.33Å; S973-Y975 WeakPolarHBondContact O-CE2 3.45Å; Y975-V994 HydrophobicContact CD1-CG2 4.06Å; Y975-V994 HydrophobicContact CG-CG2 4.41Å; Y975-F995 CarbonylContact C-O 3.55Å; Y975-F995 WeakPolarHBondContact CA-O 3.41Å; Y975-L996 HydrophobicContact CD1-CB 4.22Å; Y975-L996 HydrophobicContact CE1-CB 4.02Å; Y975-L996 HydrophobicContact CE1-CD1 4.22Å; Y975-L996 HydrophobicContact CE2-CD1 4.43Å; Y975-V1014 HydrophobicContact CD1-CG1 4.33Å; Y975-V1014 HydrophobicContact CE1-CG1 4.26Å; Y975-V1014 HydrophobicContact CG-CG2 4.46Å; Y975-C1036 HydrophobicContact CD1-CB 4.31Å; Y975-C1036 HydrophobicContact CE1-CB 4.09Å; Y975-P1057 HydrophobicContact CE1-CB 4.43Å |
| 976 | C | 86.9 | Confident | 80.7 | Confident | 10 Ų | 10 | 46.1 Ų | 46.1 | 7% | 0.068 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 155.1 | 176.5 | 64.9 | 0 | 0 | 0 | 0 | 110.2 | D980 V994 F995 | C976-D980 WeakPolarHBondContact CA-OD2 3.43Å; C976-D980 HydrophobicContact CB-CB 3.67Å; C976-D980 WeakPolarHBondContact CB-OD2 3.27Å; C976-V994 CarbonylContact O-C 3.37Å; C976-V994 WeakPolarHBondContact O-CA 3.36Å; C976-F995 PolarHBondContact N-O 3.28Å; C976-F995 PolarHBondContact O-N 2.74Å; C976-F995 PolarHBondContact SG-O 2.59Å |
| 977 | R | 86.2 | Confident | 80.6 | Confident | 50 Ų | 50 | 40.2 Ų | 40.2 | 19% | 0.189 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 169.8 | 178.4 | -71.3 | 178 | 172.2 | -176.2 | -0.2 | 111 | N951 E979 D980 T981 V994 Y1034 | N951-R977 PolarHBondContact OD1-NH1 3.24Å; R977-E979 HydrophobicContact CB-CG 3.8Å; R977-E979 WeakPolarHBondContact CD-OE1 3.35Å; R977-E979 IonicContact CZ-OE1 3.67Å; R977-E979 IonicContact NE-OE1 2.74Å; R977-E979 IonicContact NH1-OE1 3.17Å; R977-E979 PolarHBondContact NH1-OE1 3.39Å; R977-E979 PolarHBondContact O-N 2.81Å; R977-D980 PolarHBondContact N-OD2 3.16Å; R977-D980 WeakPolarHBondContact O-CB 3.17Å; R977-D980 PolarHBondContact O-N 2.96Å; R977-T981 WeakPolarHBondContact O-CG2 3.33Å; R977-V994 HydrophobicContact CG-CG1 4.29Å; R977-Y1034 PolarHBondContact NH2-OH 3.29Å |
| 978 | A | 82 | Confident | 80.2 | Confident | 9 Ų | 9 | 40.4 Ų | 40.4 | 7% | 0.074 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -54 | -38.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | D980 T981 H983 F989 F995 Y1078 | A978-D980 PolarHBondContact O-N 3.44Å; A978-T981 PolarHBondContact O-N 2.97Å; A978-T981 PolarHBondContact O-OG1 3.17Å; A978-H983 PolarHBondContact O-CE1 3.04Å; A978-H983 VanDerWaalsContact O-CE1 3.26Å; A978-F989 HydrophobicContact CB-CD2 4.17Å; A978-F989 HydrophobicContact CB-CE2 4.12Å; A978-F989 HydrophobicContact CB-CG 4.39Å; A978-F989 HydrophobicContact CB-CZ 4.27Å; A978-F995 HydrophobicContact CB-CE2 4.07Å; A978-Y1078 HydrophobicContact CB-CD2 4.31Å; A978-Y1078 HydrophobicContact CB-CG 4.39Å |
| 979 | E | 79.4 | Confident | 79.8 | Confident | 70 Ų | 70 | 39.9 Ų | 39.9 | 33% | 0.327 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -64.3 | -18.8 | 175.7 | 60.6 | -148 | -168.9 | 0 | 0 | 115.2 | N951 R977 Y1078 | N951-E979 PolarHBondContact ND2-OE1 3.17Å; N951-E979 PolarHBondContact OD1-OE1 2.93Å; R977-E979 HydrophobicContact CB-CG 3.8Å; R977-E979 WeakPolarHBondContact CD-OE1 3.35Å; R977-E979 IonicContact CZ-OE1 3.67Å; R977-E979 IonicContact NE-OE1 2.74Å; R977-E979 IonicContact NH1-OE1 3.17Å; R977-E979 PolarHBondContact NH1-OE1 3.39Å; R977-E979 PolarHBondContact O-N 2.81Å; E979-Y1078 HydrophobicContact CB-CE1 4.13Å; E979-Y1078 WeakPolarHBondContact CB-OH 3.37Å; E979-Y1078 PolarHBondContact OE2-OH 3.32Å |
| 980 | D | 80.2 | Confident | 79.4 | Confident | 59 Ų | 59 | 38.4 Ų | 38.4 | 32% | 0.316 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -90 | 3.3 | 173.6 | -57.3 | -46.4 | 0 | 0 | 0 | 112.5 | C976 R977 A978 | C976-D980 WeakPolarHBondContact CA-OD2 3.43Å; C976-D980 HydrophobicContact CB-CB 3.67Å; C976-D980 WeakPolarHBondContact CB-OD2 3.27Å; R977-D980 PolarHBondContact N-OD2 3.16Å; R977-D980 WeakPolarHBondContact O-CB 3.17Å; R977-D980 PolarHBondContact O-N 2.96Å; A978-D980 PolarHBondContact O-N 3.44Å |
| 981 | T | 79.5 | Confident | 78.9 | Confident | 13 Ų | 13 | 46.7 Ų | 46.7 | 8% | 0.08 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -120.2 | 143.8 | -170.5 | 67.9 | 0 | 0 | 0 | 0 | 113.9 | R977 A978 H983 F995 Y1040 F1048 | R977-T981 WeakPolarHBondContact O-CG2 3.33Å; A978-T981 PolarHBondContact O-N 2.97Å; A978-T981 PolarHBondContact O-OG1 3.17Å; T981-H983 PolarHBondContact O-CE1 3.27Å; T981-H983 PolarHBondContact O-ND1 2.64Å; T981-H983 PolarHBondContact OG1-ND1 3.49Å; T981-F995 HydrophobicContact CG2-CD2 3.87Å; T981-F995 HydrophobicContact CG2-CE2 4.5Å; T981-F995 HydrophobicContact CG2-CG 4.41Å; T981-Y1040 HydrophobicContact CG2-CD1 3.77Å; T981-Y1040 HydrophobicContact CG2-CD2 3.68Å; T981-Y1040 HydrophobicContact CG2-CE1 4.03Å; T981-Y1040 HydrophobicContact CG2-CE2 3.96Å; T981-Y1040 HydrophobicContact CG2-CG 3.57Å; T981-F1048 HydrophobicContact CG2-CE1 4.26Å; T981-F1048 HydrophobicContact CG2-CZ 4.29Å |
| 982 | Y | 77.1 | Confident | 78.8 | Confident | 145 Ų | 145 | 47.4 Ų | 47.4 | 57% | 0.569 | 25% | 0.249 | S | C | * | . | trans | -80.1 | 120 | 170.5 | -171.6 | -91.3 | 0 | 0 | 0 | 110.4 | Y1040 R1045 | Y982-Y1040 PolarHBondContact N-OH 3.06Å; Y982-R1045 HydrophobicContact CE1-CB 4.49Å | ||
| 983 | H | 69.7 | Low | 78.9 | Confident | 40 Ų | 40 | 48.2 Ų | 48.2 | 19% | 0.185 | 25% | 0.252 | C | S | . | . | trans | -155 | 153.4 | -178.9 | 58.1 | -87.1 | 0 | 0 | 0 | 111.4 | A978 T981 R987 F989 F1048 | A978-H983 PolarHBondContact O-CE1 3.04Å; A978-H983 VanDerWaalsContact O-CE1 3.26Å; T981-H983 PolarHBondContact O-CE1 3.27Å; T981-H983 PolarHBondContact O-ND1 2.64Å; T981-H983 PolarHBondContact OG1-ND1 3.49Å; H983-R987 HydrophobicContact CB-CB 4.47Å; H983-F989 HydrophobicContact CB-CZ 4.13Å; H983-F989 AromaticContact CD2-CE2 3.54Å; H983-F989 AromaticContact CD2-CZ 3.68Å; H983-F989 AromaticContact CG-CZ 3.67Å; H983-F989 AromaticContact ND1-CZ 3.93Å; H983-F989 AromaticContact NE2-CE2 3.53Å; H983-F989 AromaticContact NE2-CZ 3.94Å; H983-F1048 HydrophobicContact CB-CE2 3.99Å; H983-F1048 HydrophobicContact CB-CZ 4.13Å | ||
| 984 | P | 64.9 | Low | 79 | Confident | 64 Ų | 64 | 47.3 Ų | 47.3 | 42% | 0.416 | 25% | 0.246 | S | C | . | . | trans | -71.8 | 144.4 | 172.4 | 30.1 | -34.1 | 0 | 0 | 0 | 110.8 | S986 R987 | P984-S986 PolarHBondContact O-N 2.98Å; P984-R987 HydrophobicContact CG-CB 4.36Å; P984-R987 WeakPolarHBondContact O-CB 3.33Å; P984-R987 PolarHBondContact O-N 2.77Å | ||
| 985 | A | 64 | Low | 79 | Confident | 85 Ų | 85 | 46.5 Ų | 46.5 | 70% | 0.702 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -12.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | R987 | A985-R987 VanDerWaalsContact C-N 3.32Š|
| 986 | S | 56.9 | Low | 79 | Confident | 67 Ų | 67 | 46.8 Ų | 46.8 | 47% | 0.469 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -14.7 | 170.6 | 54.7 | 0 | 0 | 0 | 0 | 113.7 | P984 | P984-S986 PolarHBondContact O-N 2.98Š|
| 987 | R | 68.4 | Low | 78.8 | Confident | 18 Ų | 18 | 47 Ų | 47 | 7% | 0.068 | 24% | 0.244 | C | C | . | . | trans | -70 | 130.2 | -179.5 | -168.1 | 173.8 | -179.3 | 106.1 | 0.9 | 110.4 | N802 H983 P984 A985 F989 F1048 | N802-R987 PolarHBondContact OD1-NH1 3.13Å; H983-R987 HydrophobicContact CB-CB 4.47Å; P984-R987 HydrophobicContact CG-CB 4.36Å; P984-R987 WeakPolarHBondContact O-CB 3.33Å; P984-R987 PolarHBondContact O-N 2.77Å; A985-R987 VanDerWaalsContact C-N 3.32Å; R987-F989 HydrophobicContact CB-CE2 4.29Å; R987-F989 HydrophobicContact CB-CZ 4.28Å; R987-F989 HydrophobicContact CG-CE1 4Å; R987-F989 HydrophobicContact CG-CE2 4.16Å; R987-F989 HydrophobicContact CG-CZ 3.81Å; R987-F1048 VanDerWaalsContact NH2-CG 3.34Å | ||
| 988 | K | 72.4 | Confident | 78.2 | Confident | 84 Ų | 84 | 46.7 Ų | 46.7 | 37% | 0.365 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 141 | 179.3 | -43.9 | 166.5 | -167.1 | 155.7 | 0 | 108.8 | D791 L1075 V1076 P1077 | D791-K988 IonicContact OD1-NZ 2.87Å; D791-K988 PolarHBondContact OD1-NZ 3.48Å; K988-L1075 HydrophobicContact CB-CB 3.47Å; K988-L1075 VanDerWaalsContact CB-CB 3.47Å; K988-L1075 HydrophobicContact CB-CD1 4.14Å; K988-L1075 HydrophobicContact CB-CG 4.43Å; K988-L1075 HydrophobicContact CD-CB 4.49Å; K988-V1076 CarbonylContact C-O 3.54Å; K988-V1076 VanDerWaalsContact CA-O 3.32Å; K988-V1076 WeakPolarHBondContact CA-O 3.48Å; K988-P1077 HydrophobicContact CG-CG 4.43Å |
| 989 | F | 80.4 | Confident | 78 | Confident | 6 Ų | 6 | 53.2 Ų | 53.2 | 3% | 0.026 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 159.1 | -178.2 | -56.9 | -81.4 | 0 | 0 | 0 | 111.4 | A978 H983 R987 E993 F995 F1048 L1075 V1076 | A978-F989 HydrophobicContact CB-CD2 4.17Å; A978-F989 HydrophobicContact CB-CE2 4.12Å; A978-F989 HydrophobicContact CB-CG 4.39Å; A978-F989 HydrophobicContact CB-CZ 4.27Å; H983-F989 HydrophobicContact CB-CZ 4.13Å; H983-F989 AromaticContact CD2-CE2 3.54Å; H983-F989 AromaticContact CD2-CZ 3.68Å; H983-F989 AromaticContact CG-CZ 3.67Å; H983-F989 AromaticContact ND1-CZ 3.93Å; H983-F989 AromaticContact NE2-CE2 3.53Å; H983-F989 AromaticContact NE2-CZ 3.94Å; R987-F989 HydrophobicContact CB-CE2 4.29Å; R987-F989 HydrophobicContact CB-CZ 4.28Å; R987-F989 HydrophobicContact CG-CE1 4Å; R987-F989 HydrophobicContact CG-CE2 4.16Å; R987-F989 HydrophobicContact CG-CZ 3.81Å; F989-E993 WeakPolarHBondContact CA-OE2 3.35Å; F989-E993 HydrophobicContact CB-CB 4.39Å; F989-F995 HydrophobicContact CD1-CE1 4.27Å; F989-F995 HydrophobicContact CD1-CE2 4.4Å; F989-F995 AromaticContact CD1-CZ 3.52Å; F989-F995 HydrophobicContact CD1-CZ 3.52Å; F989-F995 HydrophobicContact CE1-CE1 4.23Å; F989-F995 HydrophobicContact CE1-CE2 4.26Å; F989-F995 AromaticContact CE1-CZ 3.56Å; F989-F995 HydrophobicContact CE1-CZ 3.56Å; F989-F1048 HydrophobicContact CE1-CE1 4.16Å; F989-F1048 HydrophobicContact CE1-CZ 4.2Å; F989-F1048 HydrophobicContact CZ-CZ 4.36Å; F989-L1075 VanDerWaalsContact C-CD2 3.48Å; F989-L1075 CarbonylContact O-C 3.52Å; F989-L1075 VanDerWaalsContact O-CA 3.27Å; F989-L1075 WeakPolarHBondContact O-CA 3.3Å; F989-V1076 PolarHBondContact N-O 2.81Å; F989-V1076 PolarHBondContact O-N 2.68Å |
| 990 | L | 80.4 | Confident | 78.1 | Confident | 18 Ų | 18 | 54.4 Ų | 54.4 | 9% | 0.094 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 147.6 | 166.9 | -64.4 | 176.5 | 0 | 0 | 0 | 110.3 | Q992 E993 V1035 L1037 P1073 L1075 | L990-Q992 PolarHBondContact O-N 3.41Å; L990-E993 HydrophobicContact CB-CB 4.11Å; L990-E993 PolarHBondContact N-OE2 3.07Å; L990-E993 VanDerWaalsContact O-CB 3.3Å; L990-E993 WeakPolarHBondContact O-CB 3.28Å; L990-E993 PolarHBondContact O-N 3.35Å; L990-V1035 HydrophobicContact CB-CG1 4.11Å; L990-V1035 HydrophobicContact CD1-CG1 3.76Å; L990-L1037 HydrophobicContact CD1-CD1 3.79Å; L990-P1073 HydrophobicContact CD2-CB 3.89Å; L990-L1075 HydrophobicContact CB-CD2 4.49Å; L990-L1075 HydrophobicContact CD2-CD2 3.69Å; L990-L1075 HydrophobicContact CG-CD2 3.68Å |
| 991 | Q | 80.7 | Confident | 78 | Confident | 174 Ų | 174 | 52.4 Ų | 52.4 | 81% | 0.813 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -20.2 | -173.6 | -173.2 | 175.7 | 1 | 0 | 0 | 114.9 | ||
| 992 | Q | 87.1 | Confident | 78.3 | Confident | 42 Ų | 42 | 58 Ų | 58 | 20% | 0.196 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127.3 | 32.9 | 177.3 | -66.4 | -79.1 | 45.4 | 0 | 0 | 111.1 | L990 S1030 R1031 Y1034 V1035 | L990-Q992 PolarHBondContact O-N 3.41Å; Q992-S1030 PolarHBondContact NE2-O 2.99Å; Q992-R1031 VanDerWaalsContact NE2-C 3.34Å; Q992-R1031 PolarHBondContact NE2-O 3.34Å; Q992-Y1034 HydrophobicContact CB-CD1 4.12Å; Q992-Y1034 WeakPolarHBondContact O-CA 3.35Å; Q992-Y1034 VanDerWaalsContact OE1-CE1 3.23Å; Q992-V1035 PolarHBondContact O-N 2.82Å |
| 993 | E | 89.2 | Confident | 78.8 | Confident | 17 Ų | 17 | 52.4 Ų | 52.4 | 8% | 0.079 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 131.9 | 179 | -157.8 | 170.1 | 164.9 | 0 | 0 | 111.8 | F989 L990 F995 V1035 L1037 | F989-E993 WeakPolarHBondContact CA-OE2 3.35Å; F989-E993 HydrophobicContact CB-CB 4.39Å; L990-E993 HydrophobicContact CB-CB 4.11Å; L990-E993 PolarHBondContact N-OE2 3.07Å; L990-E993 VanDerWaalsContact O-CB 3.3Å; L990-E993 WeakPolarHBondContact O-CB 3.28Å; L990-E993 PolarHBondContact O-N 3.35Å; E993-F995 HydrophobicContact CB-CZ 4.18Å; E993-F995 HydrophobicContact CG-CE1 3.86Å; E993-F995 HydrophobicContact CG-CE2 4.47Å; E993-F995 HydrophobicContact CG-CZ 3.66Å; E993-F995 VanDerWaalsContact OE1-CE1 3.27Å; E993-F995 WeakPolarHBondContact OE1-CE1 3.31Å; E993-V1035 WeakPolarHBondContact CA-O 3.43Å; E993-L1037 HydrophobicContact CG-CD1 4.07Å |
| 994 | V | 91.2 | Very high | 79.6 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 160.1 | 170.8 | -62.6 | 0 | 0 | 0 | 0 | 109.5 | Y975 C976 R977 V1014 Y1034 V1035 C1036 | Y975-V994 HydrophobicContact CD1-CG2 4.06Å; Y975-V994 HydrophobicContact CG-CG2 4.41Å; C976-V994 CarbonylContact O-C 3.37Å; C976-V994 WeakPolarHBondContact O-CA 3.36Å; R977-V994 HydrophobicContact CG-CG1 4.29Å; V994-V1014 HydrophobicContact CG2-CG1 3.56Å; V994-V1014 HydrophobicContact CG2-CG2 4.13Å; V994-Y1034 HydrophobicContact CG1-CD1 3.63Å; V994-Y1034 HydrophobicContact CG1-CE1 4.34Å; V994-Y1034 HydrophobicContact CG1-CG 3.95Å; V994-V1035 PolarHBondContact N-O 2.96Å; V994-C1036 HydrophobicContact CG2-CB 4.3Å; V994-C1036 WeakPolarHBondContact O-CA 3.49Å; V994-C1036 PolarHBondContact O-SG 2.87Å |
| 995 | F | 90.1 | Very high | 80.7 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 129.9 | -173.9 | -50.8 | -80 | 0 | 0 | 0 | 110 | Y975 C976 A978 T981 F989 E993 S997 S1038 F1048 | Y975-F995 CarbonylContact C-O 3.55Å; Y975-F995 WeakPolarHBondContact CA-O 3.41Å; C976-F995 PolarHBondContact N-O 3.28Å; C976-F995 PolarHBondContact O-N 2.74Å; C976-F995 PolarHBondContact SG-O 2.59Å; A978-F995 HydrophobicContact CB-CE2 4.07Å; T981-F995 HydrophobicContact CG2-CD2 3.87Å; T981-F995 HydrophobicContact CG2-CE2 4.5Å; T981-F995 HydrophobicContact CG2-CG 4.41Å; F989-F995 HydrophobicContact CD1-CE1 4.27Å; F989-F995 HydrophobicContact CD1-CE2 4.4Å; F989-F995 AromaticContact CD1-CZ 3.52Å; F989-F995 HydrophobicContact CD1-CZ 3.52Å; F989-F995 HydrophobicContact CE1-CE1 4.23Å; F989-F995 HydrophobicContact CE1-CE2 4.26Å; F989-F995 AromaticContact CE1-CZ 3.56Å; F989-F995 HydrophobicContact CE1-CZ 3.56Å; E993-F995 HydrophobicContact CB-CZ 4.18Å; E993-F995 HydrophobicContact CG-CE1 3.86Å; E993-F995 HydrophobicContact CG-CE2 4.47Å; E993-F995 HydrophobicContact CG-CZ 3.66Å; E993-F995 VanDerWaalsContact OE1-CE1 3.27Å; E993-F995 WeakPolarHBondContact OE1-CE1 3.31Å; F995-S997 PolarHBondContact O-N 3.15Å; F995-S997 VanDerWaalsContact O-N 3.15Å; F995-S1038 VanDerWaalsContact CA-O 3.3Å; F995-S1038 WeakPolarHBondContact CA-O 3.27Å; F995-S1038 WeakPolarHBondContact CD1-OG 3.44Å; F995-F1048 AromaticContact CD1-CD1 3.72Å; F995-F1048 HydrophobicContact CD1-CD1 3.72Å; F995-F1048 AromaticContact CD1-CE1 3.69Å; F995-F1048 HydrophobicContact CD1-CE1 3.69Å; F995-F1048 HydrophobicContact CD2-CE1 4.31Å; F995-F1048 AromaticContact CE1-CD1 3.86Å; F995-F1048 HydrophobicContact CE1-CD1 3.86Å; F995-F1048 AromaticContact CE1-CE1 3.67Å; F995-F1048 HydrophobicContact CE1-CE1 3.67Å; F995-F1048 HydrophobicContact CE2-CE1 4.32Å; F995-F1048 HydrophobicContact CG-CD1 4.37Å; F995-F1048 HydrophobicContact CG-CE1 4.03Å; F995-F1048 HydrophobicContact CZ-CE1 4.02Å |
| 996 | L | 91.4 | Very high | 81.7 | Confident | 11 Ų | 11 | 52.3 Ų | 52.3 | 6% | 0.058 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 117.5 | 172.2 | 174.3 | 64.3 | 0 | 0 | 0 | 108.4 | Y975 G998 C1036 S1038 K1039 Y1040 L1051 E1055 | Y975-L996 HydrophobicContact CD1-CB 4.22Å; Y975-L996 HydrophobicContact CE1-CB 4.02Å; Y975-L996 HydrophobicContact CE1-CD1 4.22Å; Y975-L996 HydrophobicContact CE2-CD1 4.43Å; L996-G998 PolarHBondContact O-N 3.3Å; L996-C1036 PolarHBondContact N-SG 2.94Å; L996-S1038 PolarHBondContact N-O 3.25Å; L996-K1039 HydrophobicContact CB-CB 4.29Å; L996-K1039 HydrophobicContact CB-CG 4.29Å; L996-K1039 HydrophobicContact CD2-CG 4.33Å; L996-K1039 HydrophobicContact CG-CG 4.24Å; L996-K1039 CarbonylContact O-C 3.42Å; L996-K1039 VanDerWaalsContact O-CA 3.23Å; L996-K1039 WeakPolarHBondContact O-CA 3.47Å; L996-K1039 WeakPolarHBondContact O-CG 3.41Å; L996-Y1040 PolarHBondContact O-N 3.33Å; L996-L1051 HydrophobicContact CB-CD2 3.96Å; L996-L1051 HydrophobicContact CD2-CD2 4.04Å; L996-E1055 HydrophobicContact CD2-CB 3.73Å; L996-E1055 HydrophobicContact CD2-CG 3.79Å |
| 997 | S | 83.3 | Confident | 83.2 | Confident | 13 Ų | 13 | 52.4 Ų | 52.4 | 9% | 0.091 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | -10.3 | -170.1 | 74.8 | 0 | 0 | 0 | 0 | 114.3 | T974 F995 F999 Y1040 | T974-S997 WeakPolarHBondContact O-CB 3.45Å; T974-S997 PolarHBondContact O-N 2.91Å; T974-S997 PolarHBondContact O-OG 3.19Å; T974-S997 VanDerWaalsContact O-OG 3.14Å; T974-S997 PolarHBondContact OG1-OG 3.33Å; F995-S997 PolarHBondContact O-N 3.15Å; F995-S997 VanDerWaalsContact O-N 3.15Å; S997-F999 VanDerWaalsContact O-CD2 3.25Å; S997-F999 WeakPolarHBondContact O-CD2 3.23Å; S997-F999 PolarHBondContact O-N 3.33Å; S997-F999 WeakPolarHBondContact OG-CB 3.38Å; S997-F999 PolarHBondContact OG-N 3.03Å; S997-Y1040 CarbonylContact C-O 3.51Å; S997-Y1040 VanDerWaalsContact C-O 3.31Å; S997-Y1040 VanDerWaalsContact O-O 3.14Å |
| 998 | G | 74.5 | Confident | 84.2 | Confident | 44 Ų | 44 | 51.6 Ų | 51.6 | 45% | 0.454 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 74.2 | -14 | -166 | 0 | 0 | 0 | 0 | 0 | 114.6 | L996 | L996-G998 PolarHBondContact O-N 3.3Å |
| 999 | F | 77.2 | Confident | 84.9 | Confident | 146 Ų | 146 | 49.8 Ų | 49.8 | 64% | 0.64 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89 | 139.6 | 178.3 | -62.6 | -82.2 | 0 | 0 | 0 | 112 | T974 S997 | T974-F999 PolarHBondContact N-O 3.03Å; T974-F999 PolarHBondContact OG1-O 2.86Å; S997-F999 VanDerWaalsContact O-CD2 3.25Å; S997-F999 WeakPolarHBondContact O-CD2 3.23Å; S997-F999 PolarHBondContact O-N 3.33Å; S997-F999 WeakPolarHBondContact OG-CB 3.38Å; S997-F999 PolarHBondContact OG-N 3.03Å |
| 1000 | I | 81.2 | Confident | 85.3 | Confident | 96 Ų | 96 | 50.5 Ų | 50.5 | 49% | 0.492 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 113.1 | 168.1 | -61.9 | 177.3 | 0 | 0 | 0 | 107 | P915 C971 G972 | P915-I1000 HydrophobicContact CG-CD1 4.35Å; C971-I1000 WeakPolarHBondContact SG-CG2 3.32Å; G972-I1000 CarbonylContact O-C 3.56Å; G972-I1000 WeakPolarHBondContact O-CA 3.21Å |
| 1001 | G | 79.3 | Confident | 85.7 | Confident | 17 Ų | 17 | 53.3 Ų | 53.3 | 18% | 0.175 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 136 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | C971 G972 | C971-G1001 WeakPolarHBondContact CA-O 3.08Å; G972-G1001 PolarHBondContact N-O 3.22Å; G972-G1001 PolarHBondContact O-N 3.2Å |
| 1002 | Q | 85.7 | Confident | 86.3 | Confident | 129 Ų | 129 | 45 Ų | 45 | 60% | 0.603 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 130.7 | 167.5 | 171.8 | 175.1 | -24.7 | 0 | 0 | 108.8 | W961 V970 | W961-Q1002 HydrophobicContact CH2-CG 3.92Å; W961-Q1002 HydrophobicContact CZ2-CG 4.17Å; V970-Q1002 WeakPolarHBondContact O-CA 3.5Å |
| 1003 | L | 86.7 | Confident | 86.5 | Confident | 28 Ų | 28 | 43.2 Ų | 43.2 | 15% | 0.147 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 150.2 | -179.8 | 50.4 | 127.5 | 0 | 0 | 0 | 111.2 | V944 I955 F969 V970 N1007 I1008 | V944-L1003 HydrophobicContact CB-CD1 4.4Å; V944-L1003 HydrophobicContact CG1-CD1 3.56Å; V944-L1003 HydrophobicContact CG1-CD2 4.11Å; I955-L1003 HydrophobicContact CD1-CD2 3.7Å; F969-L1003 WeakPolarHBondContact CA-O 3.4Å; V970-L1003 HydrophobicContact CG2-CD1 3.67Å; V970-L1003 HydrophobicContact CG2-CD2 4.26Å; V970-L1003 HydrophobicContact CG2-CG 3.65Å; V970-L1003 PolarHBondContact N-O 3.14Å; V970-L1003 PolarHBondContact O-N 3.04Å; V970-L1003 VanDerWaalsContact O-N 3.12Å; L1003-N1007 HydrophobicContact CB-CB 4.43Å; L1003-N1007 HydrophobicContact CD1-CB 3.8Å; L1003-I1008 HydrophobicContact CD1-CG1 4.19Å |
| 1004 | N | 87.1 | Confident | 86.7 | Confident | 30 Ų | 30 | 42.5 Ų | 42.5 | 16% | 0.16 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 138.6 | 164 | 177.1 | -47.7 | 0 | 0 | 0 | 108.2 | D967 T968 F969 E1006 N1007 | D967-N1004 PolarHBondContact OD1-ND2 3.48Å; T968-N1004 WeakPolarHBondContact O-CA 3.33Å; F969-N1004 HydrophobicContact CD1-CB 4.22Å; F969-N1004 HydrophobicContact CE1-CB 4.08Å; N1004-E1006 PolarHBondContact O-N 3.32Å; N1004-E1006 VanDerWaalsContact O-N 3.11Å; N1004-E1006 WeakPolarHBondContact OD1-CB 3.38Å; N1004-E1006 WeakPolarHBondContact OD1-CG 3.44Å; N1004-E1006 PolarHBondContact OD1-N 3.41Å; N1004-N1007 WeakPolarHBondContact O-CB 3.21Å; N1004-N1007 PolarHBondContact O-N 3.37Å; N1004-N1007 VanDerWaalsContact O-N 3.12Å; N1004-N1007 PolarHBondContact O-ND2 3.07Å |
| 1005 | V | 88.3 | Confident | 86.7 | Confident | 17 Ų | 17 | 42.7 Ų | 42.7 | 10% | 0.103 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -56.2 | -25.5 | -174.1 | 79.1 | 0 | 0 | 0 | 0 | 114.1 | V929 V931 T968 V970 N1007 I1008 | V929-V1005 HydrophobicContact CG1-CG2 3.79Å; V929-V1005 HydrophobicContact CG2-CG2 4.04Å; V931-V1005 HydrophobicContact CG1-CG2 4.48Å; V931-V1005 HydrophobicContact CG2-CG2 3.37Å; T968-V1005 HydrophobicContact CG2-CB 4.39Å; T968-V1005 HydrophobicContact CG2-CG1 4.34Å; T968-V1005 WeakPolarHBondContact O-CB 3.41Å; T968-V1005 PolarHBondContact O-N 2.81Å; V970-V1005 HydrophobicContact CG1-CG2 4.21Å; V1005-N1007 PolarHBondContact O-N 3.06Å; V1005-N1007 VanDerWaalsContact O-N 3.12Å; V1005-I1008 HydrophobicContact CG2-CD1 3.86Å; V1005-I1008 WeakPolarHBondContact O-CB 3.41Å; V1005-I1008 PolarHBondContact O-N 3.38Å |
| 1006 | E | 85.2 | Confident | 86.6 | Confident | 141 Ų | 141 | 43.3 Ų | 43.3 | 66% | 0.659 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -57.1 | -26.6 | 176.2 | -70 | -177.9 | 166 | 0 | 0 | 113.6 | R932 N1004 I1008 | R932-E1006 PolarHBondContact NH2-O 3.41Å; N1004-E1006 PolarHBondContact O-N 3.32Å; N1004-E1006 VanDerWaalsContact O-N 3.11Å; N1004-E1006 WeakPolarHBondContact OD1-CB 3.38Å; N1004-E1006 WeakPolarHBondContact OD1-CG 3.44Å; N1004-E1006 PolarHBondContact OD1-N 3.41Å; E1006-I1008 PolarHBondContact O-N 2.84Å |
| 1007 | N | 87.6 | Confident | 86.2 | Confident | 69 Ų | 69 | 43.1 Ų | 43.1 | 37% | 0.369 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -74.3 | -8.4 | 177.9 | -62.8 | -77 | 0 | 0 | 0 | 113.7 | V944 L945 L1003 N1004 V1005 V1009 | V944-N1007 WeakPolarHBondContact CA-O 3.35Å; L945-N1007 PolarHBondContact N-O 3.17Å; L1003-N1007 HydrophobicContact CB-CB 4.43Å; L1003-N1007 HydrophobicContact CD1-CB 3.8Å; N1004-N1007 WeakPolarHBondContact O-CB 3.21Å; N1004-N1007 PolarHBondContact O-N 3.37Å; N1004-N1007 VanDerWaalsContact O-N 3.12Å; N1004-N1007 PolarHBondContact O-ND2 3.07Å; V1005-N1007 PolarHBondContact O-N 3.06Å; V1005-N1007 VanDerWaalsContact O-N 3.12Å; N1007-V1009 PolarHBondContact O-N 3.23Å |
| 1008 | I | 89 | Confident | 86.1 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 123.7 | 171.1 | -64.9 | 177.6 | 0 | 0 | 0 | 109.2 | V931 R932 Y936 A942 Y943 V944 I957 V970 L1003 V1005 E1006 | V931-I1008 HydrophobicContact CG1-CB 4.31Å; R932-I1008 PolarHBondContact NE-O 3.28Å; R932-I1008 PolarHBondContact NH2-O 3.16Å; Y936-I1008 HydrophobicContact CE1-CG2 3.92Å; Y936-I1008 HydrophobicContact CE2-CG2 3.86Å; A942-I1008 HydrophobicContact CB-CD1 4.42Å; A942-I1008 HydrophobicContact CB-CG1 4.44Å; A942-I1008 HydrophobicContact CB-CG2 4Å; Y943-I1008 WeakPolarHBondContact O-CA 3.48Å; V944-I1008 HydrophobicContact CG1-CG1 4.21Å; I957-I1008 HydrophobicContact CD1-CD1 4.25Å; V970-I1008 HydrophobicContact CG1-CD1 4.21Å; V970-I1008 HydrophobicContact CG2-CD1 4.21Å; L1003-I1008 HydrophobicContact CD1-CG1 4.19Å; V1005-I1008 HydrophobicContact CG2-CD1 3.86Å; V1005-I1008 WeakPolarHBondContact O-CB 3.41Å; V1005-I1008 PolarHBondContact O-N 3.38Å; E1006-I1008 PolarHBondContact O-N 2.84Å |
| 1009 | V | 87.4 | Confident | 86.6 | Confident | 47 Ų | 47 | 43.7 Ų | 43.7 | 29% | 0.285 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | -39.3 | -175.3 | -169.1 | 0 | 0 | 0 | 0 | 111.8 | Y943 L945 F952 N1007 | Y943-V1009 PolarHBondContact O-N 3.04Å; L945-V1009 HydrophobicContact CD1-CG2 4.28Å; L945-V1009 HydrophobicContact CD2-CG2 4.44Å; L945-V1009 HydrophobicContact CG-CG2 3.75Å; F952-V1009 HydrophobicContact CD1-CB 4.47Å; F952-V1009 HydrophobicContact CD1-CG2 4.06Å; F952-V1009 HydrophobicContact CE1-CB 4.24Å; F952-V1009 HydrophobicContact CE1-CG1 3.85Å; F952-V1009 HydrophobicContact CE1-CG2 3.92Å; F952-V1009 HydrophobicContact CZ-CG1 4.18Å; N1007-V1009 PolarHBondContact O-N 3.23Å |
| 1010 | G | 88.5 | Confident | 87.1 | Confident | 20 Ų | 20 | 38.4 Ų | 38.4 | 21% | 0.206 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.7 | 179.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y936 Y943 | Y936-G1010 WeakPolarHBondContact OH-CA 3.39Å; Y936-G1010 PolarHBondContact OH-O 2.83Å; Y943-G1010 PolarHBondContact N-O 3.13Å |
| 1011 | K | 89.4 | Confident | 87.2 | Confident | 77 Ų | 77 | 35.4 Ų | 35.4 | 34% | 0.335 | 19% | 0.194 | S | C | . | . | trans | -88.3 | 137 | 177.4 | -91.4 | -176.8 | 177 | 170.3 | 0 | 112.1 | V934 T935 Y936 F1028 | V934-K1011 HydrophobicContact CG1-CD 3.66Å; V934-K1011 VanDerWaalsContact CG1-CE 3.44Å; V934-K1011 HydrophobicContact CG1-CG 3.97Å; T935-K1011 WeakPolarHBondContact O-CE 3.39Å; T935-K1011 PolarHBondContact O-NZ 3.4Å; Y936-K1011 HydrophobicContact CD1-CG 4.24Å; Y936-K1011 HydrophobicContact CE1-CD 4.38Å; Y936-K1011 HydrophobicContact CE1-CG 3.44Å; Y936-K1011 VanDerWaalsContact CE1-CG 3.44Å; Y936-K1011 PolarHBondContact OH-N 2.86Å; K1011-F1028 HydrophobicContact CB-CE1 4.03Å | ||
| 1012 | C | 92.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -130.6 | 174.1 | 163.8 | 65.9 | 0 | 0 | 0 | 0 | 107.8 | F941 Y943 C954 F1028 D1032 Y1034 | F941-C1012 CarbonylContact C-O 3.55Å; F941-C1012 WeakPolarHBondContact CB-O 3.13Å; Y943-C1012 HydrophobicContact CD1-CB 4Å; Y943-C1012 HydrophobicContact CD2-CB 3.93Å; Y943-C1012 HydrophobicContact CE1-CB 3.79Å; Y943-C1012 HydrophobicContact CE2-CB 3.71Å; Y943-C1012 HydrophobicContact CG-CB 4.08Å; C954-C1012 VanDerWaalsContact SG-SG 3.7Å; C1012-F1028 VanDerWaalsContact C-CE1 3.45Å; C1012-F1028 VanDerWaalsContact O-CE1 3.31Å; C1012-F1028 WeakPolarHBondContact O-CE1 3.28Å; C1012-D1032 CarbonylContact C-O 3.55Å; C1012-D1032 WeakPolarHBondContact CA-O 3.49Å; C1012-Y1034 HydrophobicContact CB-CD2 4.31Å; C1012-Y1034 HydrophobicContact CB-CE2 4.08Å | ||
| 1013 | I | 92.8 | Very high | 87.6 | Confident | 4 Ų | 4 | 35.2 Ų | 35.2 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 137.8 | 167 | -174.1 | 170.3 | 0 | 0 | 0 | 110.5 | F941 M1015 P1025 F1028 D1032 V1033 Y1034 E1059 A1062 | F941-I1013 HydrophobicContact CD2-CG1 4.09Å; I1013-M1015 HydrophobicContact CG1-CG 4.46Å; I1013-P1025 HydrophobicContact CD1-CB 3.96Å; I1013-P1025 HydrophobicContact CD1-CG 4.44Å; I1013-P1025 HydrophobicContact CG2-CB 4.21Å; I1013-P1025 HydrophobicContact CG2-CG 3.64Å; I1013-F1028 HydrophobicContact CB-CD1 4.11Å; I1013-F1028 HydrophobicContact CB-CE1 3.79Å; I1013-F1028 HydrophobicContact CB-CE2 4.24Å; I1013-F1028 HydrophobicContact CB-CG 4.47Å; I1013-F1028 HydrophobicContact CB-CZ 3.85Å; I1013-F1028 HydrophobicContact CD1-CE2 4.22Å; I1013-F1028 HydrophobicContact CD1-CZ 4.41Å; I1013-F1028 HydrophobicContact CG2-CB 4.32Å; I1013-F1028 HydrophobicContact CG2-CD1 3.75Å; I1013-F1028 HydrophobicContact CG2-CD2 3.98Å; I1013-F1028 HydrophobicContact CG2-CE1 3.96Å; I1013-F1028 HydrophobicContact CG2-CE2 4.19Å; I1013-F1028 HydrophobicContact CG2-CG 3.76Å; I1013-F1028 HydrophobicContact CG2-CZ 4.17Å; I1013-D1032 PolarHBondContact N-O 3.04Å; I1013-V1033 HydrophobicContact CG2-CB 4.27Å; I1013-V1033 HydrophobicContact CG2-CG1 4.23Å; I1013-V1033 HydrophobicContact CG2-CG2 3.83Å; I1013-Y1034 PolarHBondContact O-N 3.38Å; I1013-E1059 HydrophobicContact CD1-CB 4.44Å; I1013-A1062 HydrophobicContact CD1-CB 3.74Å |
| 1014 | V | 93 | Very high | 87.6 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.012 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 131.3 | 171.9 | -168.4 | 0 | 0 | 0 | 0 | 108.1 | F941 C954 Y975 V994 C1036 P1057 | F941-V1014 HydrophobicContact CD1-CB 3.92Å; F941-V1014 HydrophobicContact CD1-CG2 3.6Å; F941-V1014 HydrophobicContact CE1-CB 3.52Å; F941-V1014 HydrophobicContact CE1-CG2 3.64Å; F941-V1014 WeakPolarHBondContact CE2-O 3.38Å; F941-V1014 HydrophobicContact CG-CG2 4.41Å; F941-V1014 HydrophobicContact CZ-CB 3.92Å; F941-V1014 HydrophobicContact CZ-CG2 4.49Å; C954-V1014 HydrophobicContact CB-CG2 4.19Å; Y975-V1014 HydrophobicContact CD1-CG1 4.33Å; Y975-V1014 HydrophobicContact CE1-CG1 4.26Å; Y975-V1014 HydrophobicContact CG-CG2 4.46Å; V994-V1014 HydrophobicContact CG2-CG1 3.56Å; V994-V1014 HydrophobicContact CG2-CG2 4.13Å; V1014-C1036 HydrophobicContact CG1-CB 3.75Å; V1014-P1057 HydrophobicContact CB-CB 4.05Å; V1014-P1057 HydrophobicContact CG1-CB 3.91Å; V1014-P1057 HydrophobicContact CG1-CG 3.97Å |
| 1015 | M | 90.8 | Very high | 87.7 | Confident | 6 Ų | 6 | 36 Ų | 36 | 3% | 0.03 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 151.4 | -178.5 | -61.3 | -178.3 | 73.5 | 0 | 0 | 111.1 | I1013 S1019 Y1020 H1023 P1025 V1033 Y1034 V1035 C1036 P1057 L1064 | I1013-M1015 HydrophobicContact CG1-CG 4.46Å; M1015-S1019 VanDerWaalsContact CE-OG 3.31Å; M1015-S1019 WeakPolarHBondContact CE-OG 3.39Å; M1015-Y1020 HydrophobicContact SD-CD2 4.38Å; M1015-H1023 HydrophobicContact CE-CB 4.18Å; M1015-P1025 HydrophobicContact SD-CG 3.97Å; M1015-V1033 HydrophobicContact CG-CG1 4.3Å; M1015-V1033 HydrophobicContact SD-CG1 3.64Å; M1015-Y1034 PolarHBondContact N-O 3.39Å; M1015-V1035 WeakPolarHBondContact O-CA 3.39Å; M1015-C1036 PolarHBondContact O-N 2.8Å; M1015-C1036 VanDerWaalsContact O-N 3.08Å; M1015-P1057 VanDerWaalsContact C-CG 3.45Å; M1015-L1064 HydrophobicContact CE-CD1 4.38Å; M1015-L1064 HydrophobicContact CE-CD2 3.84Å |
| 1016 | S | 87.9 | Confident | 87.5 | Confident | 13 Ų | 13 | 37.2 Ų | 37.2 | 9% | 0.091 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 151.6 | 167.1 | 63.3 | 0 | 0 | 0 | 0 | 109.7 | S1018 S1019 Y1020 E1056 | S1016-S1018 VanDerWaalsContact C-N 3.31Å; S1016-S1018 PolarHBondContact O-N 2.78Å; S1016-S1018 PolarHBondContact OG-OG 2.54Å; S1016-S1019 PolarHBondContact O-N 3.33Å; S1016-S1019 WeakPolarHBondContact OG-CB 3.42Å; S1016-Y1020 PolarHBondContact O-N 2.69Å; S1016-E1056 WeakPolarHBondContact CB-OE2 3.46Å |
| 1017 | A | 82.3 | Confident | 87.5 | Confident | 7 Ų | 7 | 34.7 Ų | 34.7 | 6% | 0.058 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.4 | -43.5 | -174 | 0 | 0 | 0 | 0 | 0 | 113.3 | C796 S1019 Y1020 V1021 V1035 L1037 | C796-A1017 HydrophobicContact CB-CB 3.86Å; A1017-S1019 VanDerWaalsContact C-N 3.31Å; A1017-S1019 PolarHBondContact O-N 2.89Å; A1017-Y1020 PolarHBondContact O-N 2.86Å; A1017-V1021 WeakPolarHBondContact O-CB 3.44Å; A1017-V1021 WeakPolarHBondContact O-CG2 3.49Å; A1017-V1021 PolarHBondContact O-N 3.3Å; A1017-V1035 HydrophobicContact CB-CG2 4.17Å; A1017-L1037 HydrophobicContact CB-CD1 4.23Å; A1017-L1037 HydrophobicContact CB-CG 4.03Å |
| 1018 | S | 81.3 | Confident | 87.5 | Confident | 47 Ų | 47 | 33.6 Ų | 33.6 | 33% | 0.329 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -57.9 | -41.7 | 174.8 | 58.7 | 0 | 0 | 0 | 0 | 112.3 | S1016 Q1022 | S1016-S1018 VanDerWaalsContact C-N 3.31Å; S1016-S1018 PolarHBondContact O-N 2.78Å; S1016-S1018 PolarHBondContact OG-OG 2.54Å; S1018-Q1022 WeakPolarHBondContact O-CB 3.37Å; S1018-Q1022 VanDerWaalsContact O-CG 3.28Å; S1018-Q1022 WeakPolarHBondContact O-CG 3.39Å; S1018-Q1022 PolarHBondContact O-N 3.16Å |
| 1019 | S | 85 | Confident | 87.3 | Confident | 22 Ų | 22 | 37.1 Ų | 37.1 | 15% | 0.154 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -74.5 | -43.6 | 179.1 | -163.9 | 0 | 0 | 0 | 0 | 112.2 | M1015 S1016 A1017 V1021 Q1022 H1023 L1064 | M1015-S1019 VanDerWaalsContact CE-OG 3.31Å; M1015-S1019 WeakPolarHBondContact CE-OG 3.39Å; S1016-S1019 PolarHBondContact O-N 3.33Å; S1016-S1019 WeakPolarHBondContact OG-CB 3.42Å; A1017-S1019 VanDerWaalsContact C-N 3.31Å; A1017-S1019 PolarHBondContact O-N 2.89Å; S1019-V1021 VanDerWaalsContact C-N 3.33Å; S1019-V1021 PolarHBondContact O-N 3.49Å; S1019-Q1022 PolarHBondContact O-N 3.26Å; S1019-H1023 WeakPolarHBondContact O-CA 3.27Å; S1019-H1023 WeakPolarHBondContact O-CB 3.44Å; S1019-H1023 PolarHBondContact O-N 3.33Å; S1019-L1064 WeakPolarHBondContact OG-CD1 3.36Å |
| 1020 | Y | 87.7 | Confident | 87.1 | Confident | 35 Ų | 35 | 39.4 Ų | 39.4 | 14% | 0.137 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.6 | -42.8 | 178.1 | -178.5 | -97.6 | 0 | 0 | 0 | 112.4 | M1015 S1016 A1017 V1033 V1035 R1067 L1071 | M1015-Y1020 HydrophobicContact SD-CD2 4.38Å; S1016-Y1020 PolarHBondContact O-N 2.69Å; A1017-Y1020 PolarHBondContact O-N 2.86Å; Y1020-V1033 HydrophobicContact CD2-CG1 4.03Å; Y1020-V1033 HydrophobicContact CE2-CG1 3.99Å; Y1020-V1035 HydrophobicContact CD1-CB 4.04Å; Y1020-V1035 HydrophobicContact CD1-CG1 4.35Å; Y1020-V1035 HydrophobicContact CD1-CG2 4.11Å; Y1020-V1035 HydrophobicContact CD2-CB 3.85Å; Y1020-V1035 HydrophobicContact CD2-CG2 4.41Å; Y1020-V1035 HydrophobicContact CE1-CB 4.43Å; Y1020-V1035 HydrophobicContact CE1-CG1 4.35Å; Y1020-V1035 HydrophobicContact CE2-CB 4.25Å; Y1020-V1035 HydrophobicContact CG-CB 3.74Å; Y1020-V1035 HydrophobicContact CG-CG2 3.84Å; Y1020-R1067 PolarHBondContact O-NE 3.22Å; Y1020-R1067 PolarHBondContact O-NH2 2.99Å; Y1020-L1071 HydrophobicContact CD1-CD1 4.07Å; Y1020-L1071 HydrophobicContact CE1-CD1 3.65Å |
| 1021 | V | 84.8 | Confident | 87 | Confident | 32 Ų | 32 | 46 Ų | 46 | 19% | 0.194 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.4 | -41.8 | 176.6 | 163.3 | 0 | 0 | 0 | 0 | 112.2 | A1017 S1019 P1070 L1071 P1073 | A1017-V1021 WeakPolarHBondContact O-CB 3.44Å; A1017-V1021 WeakPolarHBondContact O-CG2 3.49Å; A1017-V1021 PolarHBondContact O-N 3.3Å; S1019-V1021 VanDerWaalsContact C-N 3.33Å; S1019-V1021 PolarHBondContact O-N 3.49Å; V1021-P1070 HydrophobicContact CG1-CB 4.11Å; V1021-P1070 CarbonylContact O-C 3.16Å; V1021-P1070 VanDerWaalsContact O-CA 3.27Å; V1021-P1070 WeakPolarHBondContact O-CA 3.38Å; V1021-L1071 PolarHBondContact O-N 3.35Å; V1021-P1073 HydrophobicContact CG2-CG 3.93Å |
| 1022 | Q | 84.6 | Confident | 87.1 | Confident | 96 Ų | 96 | 43.6 Ų | 43.6 | 45% | 0.449 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -95.2 | -24.6 | -170.5 | -64.2 | 179.5 | 32.7 | 0 | 0 | 114.4 | S1018 S1019 R1067 | S1018-Q1022 WeakPolarHBondContact O-CB 3.37Å; S1018-Q1022 VanDerWaalsContact O-CG 3.28Å; S1018-Q1022 WeakPolarHBondContact O-CG 3.39Å; S1018-Q1022 PolarHBondContact O-N 3.16Å; S1019-Q1022 PolarHBondContact O-N 3.26Å; Q1022-R1067 PolarHBondContact O-N 3.33Å |
| 1023 | H | 87.5 | Confident | 87 | Confident | 46 Ų | 46 | 43.8 Ų | 43.8 | 21% | 0.213 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 158.8 | -169.5 | -53.8 | 94.2 | 0 | 0 | 0 | 112.6 | M1015 S1019 L1064 N1065 R1067 | M1015-H1023 HydrophobicContact CE-CB 4.18Å; S1019-H1023 WeakPolarHBondContact O-CA 3.27Å; S1019-H1023 WeakPolarHBondContact O-CB 3.44Å; S1019-H1023 PolarHBondContact O-N 3.33Å; H1023-L1064 HydrophobicContact CB-CB 4.12Å; H1023-L1064 HydrophobicContact CB-CD1 4.5Å; H1023-N1065 CarbonylContact C-O 2.86Å; H1023-N1065 VanDerWaalsContact CA-O 3.23Å; H1023-N1065 WeakPolarHBondContact CA-O 3.41Å; H1023-R1067 VanDerWaalsContact O-CZ 3.23Å; H1023-R1067 PolarHBondContact O-NE 3.49Å; H1023-R1067 PolarHBondContact O-NH2 2.95Å |
| 1024 | I | 87.9 | Confident | 87 | Confident | 71 Ų | 71 | 44.1 Ų | 44.1 | 36% | 0.364 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 131.1 | 169.4 | -170.1 | 172.9 | 0 | 0 | 0 | 108.4 | N1065 R1067 | I1024-N1065 HydrophobicContact CG2-CB 3.99Å; I1024-N1065 PolarHBondContact N-O 3.35Å; I1024-N1065 PolarHBondContact O-N 2.95Å; I1024-R1067 HydrophobicContact CB-CG 4.36Å |
| 1025 | P | 88.3 | Confident | 86.9 | Confident | 4 Ų | 4 | 44 Ų | 44 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 133 | -178.8 | 30.6 | -31.4 | 0 | 0 | 0 | 110.2 | I1013 M1015 F1028 V1033 L1064 | I1013-P1025 HydrophobicContact CD1-CB 3.96Å; I1013-P1025 HydrophobicContact CD1-CG 4.44Å; I1013-P1025 HydrophobicContact CG2-CB 4.21Å; I1013-P1025 HydrophobicContact CG2-CG 3.64Å; M1015-P1025 HydrophobicContact SD-CG 3.97Å; P1025-F1028 HydrophobicContact CB-CD2 3.97Å; P1025-F1028 HydrophobicContact CB-CE2 4.48Å; P1025-F1028 HydrophobicContact CG-CB 4.36Å; P1025-F1028 HydrophobicContact CG-CD2 4.21Å; P1025-V1033 HydrophobicContact CG-CB 4.41Å; P1025-V1033 HydrophobicContact CG-CG1 3.93Å; P1025-V1033 HydrophobicContact CG-CG2 3.49Å; P1025-V1033 VanDerWaalsContact CG-CG2 3.49Å; P1025-L1064 HydrophobicContact CB-CD2 3.84Å |
| 1026 | A | 85.4 | Confident | 86.9 | Confident | 43 Ų | 43 | 43.8 Ų | 43.8 | 36% | 0.355 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | 128.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | K1063 | A1026-K1063 HydrophobicContact CB-CB 4.11Å; A1026-K1063 WeakPolarHBondContact CB-O 3.17Å; A1026-K1063 PolarHBondContact N-O 2.88Å |
| 1027 | G | 83.9 | Confident | 86.7 | Confident | 88 Ų | 88 | 44 Ų | 44 | 91% | 0.907 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.7 | 6.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 1028 | F | 87.4 | Confident | 86.9 | Confident | 46 Ų | 46 | 43.8 Ų | 43.8 | 20% | 0.202 | 25% | 0.253 | C | S | . | . | trans | -112 | 146.9 | 173 | -64.9 | -97.2 | 0 | 0 | 0 | 110.6 | K1011 C1012 I1013 P1025 V1033 | K1011-F1028 HydrophobicContact CB-CE1 4.03Å; C1012-F1028 VanDerWaalsContact C-CE1 3.45Å; C1012-F1028 VanDerWaalsContact O-CE1 3.31Å; C1012-F1028 WeakPolarHBondContact O-CE1 3.28Å; I1013-F1028 HydrophobicContact CB-CD1 4.11Å; I1013-F1028 HydrophobicContact CB-CE1 3.79Å; I1013-F1028 HydrophobicContact CB-CE2 4.24Å; I1013-F1028 HydrophobicContact CB-CG 4.47Å; I1013-F1028 HydrophobicContact CB-CZ 3.85Å; I1013-F1028 HydrophobicContact CD1-CE2 4.22Å; I1013-F1028 HydrophobicContact CD1-CZ 4.41Å; I1013-F1028 HydrophobicContact CG2-CB 4.32Å; I1013-F1028 HydrophobicContact CG2-CD1 3.75Å; I1013-F1028 HydrophobicContact CG2-CD2 3.98Å; I1013-F1028 HydrophobicContact CG2-CE1 3.96Å; I1013-F1028 HydrophobicContact CG2-CE2 4.19Å; I1013-F1028 HydrophobicContact CG2-CG 3.76Å; I1013-F1028 HydrophobicContact CG2-CZ 4.17Å; P1025-F1028 HydrophobicContact CB-CD2 3.97Å; P1025-F1028 HydrophobicContact CB-CE2 4.48Å; P1025-F1028 HydrophobicContact CG-CB 4.36Å; P1025-F1028 HydrophobicContact CG-CD2 4.21Å; F1028-V1033 HydrophobicContact CB-CG2 3.78Å | ||
| 1029 | D | 85.3 | Confident | 87.2 | Confident | 73 Ų | 73 | 43.8 Ų | 43.8 | 39% | 0.39 | 25% | 0.247 | S | C | . | . | trans | -74.2 | 148.6 | 168.1 | -170.3 | -58.3 | 0 | 0 | 0 | 109.8 | R1031 D1032 V1033 | D1029-R1031 HydrophobicContact CB-CG 4.15Å; D1029-R1031 PolarHBondContact O-N 3.45Å; D1029-R1031 PolarHBondContact OD1-N 3.4Å; D1029-D1032 WeakPolarHBondContact CB-OD2 3.42Å; D1029-D1032 PolarHBondContact O-N 3.23Å; D1029-V1033 WeakPolarHBondContact O-CG2 3.23Å | ||
| 1030 | S | 82.9 | Confident | 87.3 | Confident | 95 Ų | 95 | 43.9 Ų | 43.9 | 66% | 0.664 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -43 | -33.2 | 168.5 | 60.7 | 0 | 0 | 0 | 0 | 116.2 | Q992 | Q992-S1030 PolarHBondContact NE2-O 2.99Š|
| 1031 | R | 86.9 | Confident | 87 | Confident | 159 Ų | 159 | 44.4 Ų | 44.4 | 60% | 0.6 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -77.2 | -20.6 | 178.6 | 76.1 | -165.5 | 173.7 | -171 | -8.6 | 114 | Q992 D1029 | Q992-R1031 VanDerWaalsContact NE2-C 3.34Å; Q992-R1031 PolarHBondContact NE2-O 3.34Å; D1029-R1031 HydrophobicContact CB-CG 4.15Å; D1029-R1031 PolarHBondContact O-N 3.45Å; D1029-R1031 PolarHBondContact OD1-N 3.4Å |
| 1032 | D | 90.3 | Very high | 86.3 | Confident | 26 Ų | 26 | 44.9 Ų | 44.9 | 14% | 0.139 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -102.5 | 5.7 | -172.6 | -57.1 | -51.3 | 0 | 0 | 0 | 111.9 | Y943 C1012 I1013 D1029 | Y943-D1032 HydrophobicContact CE2-CB 4.48Å; Y943-D1032 WeakPolarHBondContact CE2-OD1 3.31Å; Y943-D1032 PolarHBondContact OH-OD1 3.02Å; C1012-D1032 CarbonylContact C-O 3.55Å; C1012-D1032 WeakPolarHBondContact CA-O 3.49Å; I1013-D1032 PolarHBondContact N-O 3.04Å; D1029-D1032 WeakPolarHBondContact CB-OD2 3.42Å; D1029-D1032 PolarHBondContact O-N 3.23Å |
| 1033 | V | 90.9 | Very high | 85.5 | Confident | 5 Ų | 5 | 42.5 Ų | 42.5 | 3% | 0.03 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 109.9 | 177.2 | -177.5 | 0 | 0 | 0 | 0 | 110.3 | I1013 M1015 Y1020 P1025 F1028 D1029 | I1013-V1033 HydrophobicContact CG2-CB 4.27Å; I1013-V1033 HydrophobicContact CG2-CG1 4.23Å; I1013-V1033 HydrophobicContact CG2-CG2 3.83Å; M1015-V1033 HydrophobicContact CG-CG1 4.3Å; M1015-V1033 HydrophobicContact SD-CG1 3.64Å; Y1020-V1033 HydrophobicContact CD2-CG1 4.03Å; Y1020-V1033 HydrophobicContact CE2-CG1 3.99Å; P1025-V1033 HydrophobicContact CG-CB 4.41Å; P1025-V1033 HydrophobicContact CG-CG1 3.93Å; P1025-V1033 HydrophobicContact CG-CG2 3.49Å; P1025-V1033 VanDerWaalsContact CG-CG2 3.49Å; F1028-V1033 HydrophobicContact CB-CG2 3.78Å; D1029-V1033 WeakPolarHBondContact O-CG2 3.23Å |
| 1034 | Y | 92.2 | Very high | 84.1 | Confident | 10 Ų | 10 | 46.7 Ų | 46.7 | 4% | 0.039 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 165.9 | 179.7 | -61.3 | -82.8 | 0 | 0 | 0 | 112.6 | Y943 R977 Q992 V994 C1012 I1013 M1015 | Y943-Y1034 AromaticContact CE1-CE2 3.66Å; Y943-Y1034 HydrophobicContact CE1-CE2 3.66Å; Y943-Y1034 AromaticContact CE1-CZ 3.97Å; Y943-Y1034 WeakPolarHBondContact CE1-OH 3.41Å; Y943-Y1034 AromaticContact CZ-CE2 3.78Å; Y943-Y1034 VanDerWaalsContact OH-CE2 3.27Å; Y943-Y1034 WeakPolarHBondContact OH-CE2 3.36Å; Y943-Y1034 PolarHBondContact OH-OH 3.06Å; R977-Y1034 PolarHBondContact NH2-OH 3.29Å; Q992-Y1034 HydrophobicContact CB-CD1 4.12Å; Q992-Y1034 WeakPolarHBondContact O-CA 3.35Å; Q992-Y1034 VanDerWaalsContact OE1-CE1 3.23Å; V994-Y1034 HydrophobicContact CG1-CD1 3.63Å; V994-Y1034 HydrophobicContact CG1-CE1 4.34Å; V994-Y1034 HydrophobicContact CG1-CG 3.95Å; C1012-Y1034 HydrophobicContact CB-CD2 4.31Å; C1012-Y1034 HydrophobicContact CB-CE2 4.08Å; I1013-Y1034 PolarHBondContact O-N 3.38Å; M1015-Y1034 PolarHBondContact N-O 3.39Å |
| 1035 | V | 90.8 | Very high | 82.8 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 137 | 175.4 | 66.1 | 0 | 0 | 0 | 0 | 110.7 | L990 Q992 E993 V994 M1015 A1017 Y1020 L1037 | L990-V1035 HydrophobicContact CB-CG1 4.11Å; L990-V1035 HydrophobicContact CD1-CG1 3.76Å; Q992-V1035 PolarHBondContact O-N 2.82Å; E993-V1035 WeakPolarHBondContact CA-O 3.43Å; V994-V1035 PolarHBondContact N-O 2.96Å; M1015-V1035 WeakPolarHBondContact O-CA 3.39Å; A1017-V1035 HydrophobicContact CB-CG2 4.17Å; Y1020-V1035 HydrophobicContact CD1-CB 4.04Å; Y1020-V1035 HydrophobicContact CD1-CG1 4.35Å; Y1020-V1035 HydrophobicContact CD1-CG2 4.11Å; Y1020-V1035 HydrophobicContact CD2-CB 3.85Å; Y1020-V1035 HydrophobicContact CD2-CG2 4.41Å; Y1020-V1035 HydrophobicContact CE1-CB 4.43Å; Y1020-V1035 HydrophobicContact CE1-CG1 4.35Å; Y1020-V1035 HydrophobicContact CE2-CB 4.25Å; Y1020-V1035 HydrophobicContact CG-CB 3.74Å; Y1020-V1035 HydrophobicContact CG-CG2 3.84Å; V1035-L1037 HydrophobicContact CB-CD1 4.46Å; V1035-L1037 HydrophobicContact CG1-CD1 4Å; V1035-L1037 HydrophobicContact CG2-CD1 3.78Å |
| 1036 | C | 91.1 | Very high | 81.7 | Confident | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.014 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 121.9 | 174.6 | -161.8 | 0 | 0 | 0 | 0 | 110.1 | Y975 V994 L996 V1014 M1015 S1038 L1051 P1057 | Y975-C1036 HydrophobicContact CD1-CB 4.31Å; Y975-C1036 HydrophobicContact CE1-CB 4.09Å; V994-C1036 HydrophobicContact CG2-CB 4.3Å; V994-C1036 WeakPolarHBondContact O-CA 3.49Å; V994-C1036 PolarHBondContact O-SG 2.87Å; L996-C1036 PolarHBondContact N-SG 2.94Å; V1014-C1036 HydrophobicContact CG1-CB 3.75Å; M1015-C1036 PolarHBondContact O-N 2.8Å; M1015-C1036 VanDerWaalsContact O-N 3.08Å; C1036-S1038 PolarHBondContact SG-O 3.47Å; C1036-S1038 VanDerWaalsContact SG-O 3.42Å; C1036-L1051 HydrophobicContact CB-CD1 4.13Å; C1036-P1057 HydrophobicContact CB-CG 3.85Å |
| 1037 | L | 85 | Confident | 81 | Confident | 18 Ų | 18 | 54.3 Ų | 54.3 | 9% | 0.094 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | -28.9 | 176.6 | -78 | 80.2 | 0 | 0 | 0 | 112.2 | L990 E993 A1017 V1035 | L990-L1037 HydrophobicContact CD1-CD1 3.79Å; E993-L1037 HydrophobicContact CG-CD1 4.07Å; A1017-L1037 HydrophobicContact CB-CD1 4.23Å; A1017-L1037 HydrophobicContact CB-CG 4.03Å; V1035-L1037 HydrophobicContact CB-CD1 4.46Å; V1035-L1037 HydrophobicContact CG1-CD1 4Å; V1035-L1037 HydrophobicContact CG2-CD1 3.78Å |
| 1038 | S | 86.4 | Confident | 80.8 | Confident | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.014 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 156.5 | -173.4 | 50.8 | 0 | 0 | 0 | 0 | 112.6 | F995 L996 C1036 Q1049 | F995-S1038 VanDerWaalsContact CA-O 3.3Å; F995-S1038 WeakPolarHBondContact CA-O 3.27Å; F995-S1038 WeakPolarHBondContact CD1-OG 3.44Å; L996-S1038 PolarHBondContact N-O 3.25Å; C1036-S1038 PolarHBondContact SG-O 3.47Å; C1036-S1038 VanDerWaalsContact SG-O 3.42Å; S1038-Q1049 CarbonylContact C-O 3.48Å; S1038-Q1049 WeakPolarHBondContact CA-O 3.48Å; S1038-Q1049 WeakPolarHBondContact CB-O 3.42Å |
| 1039 | K | 87.9 | Confident | 80.3 | Confident | 46 Ų | 46 | 52.8 Ų | 52.8 | 20% | 0.2 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 133.9 | 167.3 | -175.9 | -175.3 | -166.8 | 165.9 | 0 | 108.5 | L996 V1041 F1048 Q1049 L1051 E1055 | L996-K1039 HydrophobicContact CB-CB 4.29Å; L996-K1039 HydrophobicContact CB-CG 4.29Å; L996-K1039 HydrophobicContact CD2-CG 4.33Å; L996-K1039 HydrophobicContact CG-CG 4.24Å; L996-K1039 CarbonylContact O-C 3.42Å; L996-K1039 VanDerWaalsContact O-CA 3.23Å; L996-K1039 WeakPolarHBondContact O-CA 3.47Å; L996-K1039 WeakPolarHBondContact O-CG 3.41Å; K1039-V1041 HydrophobicContact CD-CG2 4.33Å; K1039-V1041 HydrophobicContact CG-CG2 4.34Å; K1039-F1048 CarbonylContact O-C 3.52Å; K1039-F1048 WeakPolarHBondContact O-CA 3.49Å; K1039-Q1049 HydrophobicContact CB-CB 4.46Å; K1039-Q1049 PolarHBondContact N-O 3.09Å; K1039-Q1049 PolarHBondContact O-N 3.06Å; K1039-L1051 HydrophobicContact CB-CD2 4.13Å; K1039-E1055 WeakPolarHBondContact CD-OE1 3.29Å; K1039-E1055 WeakPolarHBondContact CE-OE1 3.44Å; K1039-E1055 IonicContact NZ-OE1 3.73Å; K1039-E1055 PolarHBondContact NZ-OE1 2.7Å |
| 1040 | Y | 86.1 | Confident | 79.9 | Confident | 25 Ų | 25 | 52.2 Ų | 52.2 | 10% | 0.098 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 119.1 | 171.5 | 174.5 | -102.5 | 0 | 0 | 0 | 109.3 | T981 Y982 L996 S997 F1048 | T981-Y1040 HydrophobicContact CG2-CD1 3.77Å; T981-Y1040 HydrophobicContact CG2-CD2 3.68Å; T981-Y1040 HydrophobicContact CG2-CE1 4.03Å; T981-Y1040 HydrophobicContact CG2-CE2 3.96Å; T981-Y1040 HydrophobicContact CG2-CG 3.57Å; Y982-Y1040 PolarHBondContact N-OH 3.06Å; L996-Y1040 PolarHBondContact O-N 3.33Å; S997-Y1040 CarbonylContact C-O 3.51Å; S997-Y1040 VanDerWaalsContact C-O 3.31Å; S997-Y1040 VanDerWaalsContact O-O 3.14Å; Y1040-F1048 HydrophobicContact CD2-CD1 4.22Å; Y1040-F1048 HydrophobicContact CD2-CD2 4.39Å; Y1040-F1048 AromaticContact CD2-CE1 3.95Å; Y1040-F1048 HydrophobicContact CD2-CE1 3.95Å; Y1040-F1048 HydrophobicContact CD2-CE2 4.12Å; Y1040-F1048 HydrophobicContact CD2-CG 4.44Å; Y1040-F1048 AromaticContact CD2-CZ 3.89Å; Y1040-F1048 HydrophobicContact CD2-CZ 3.89Å; Y1040-F1048 HydrophobicContact CE2-CE2 4.31Å; Y1040-F1048 HydrophobicContact CE2-CZ 4.27Å |
| 1041 | V | 81.6 | Confident | 79.8 | Confident | 46 Ų | 46 | 48.8 Ų | 48.8 | 28% | 0.279 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 108.2 | 177.6 | -178.1 | 0 | 0 | 0 | 0 | 108.5 | K1039 R1047 Q1049 | K1039-V1041 HydrophobicContact CD-CG2 4.33Å; K1039-V1041 HydrophobicContact CG-CG2 4.34Å; V1041-R1047 PolarHBondContact N-O 3.35Å; V1041-R1047 PolarHBondContact O-N 3.02Å; V1041-Q1049 HydrophobicContact CG2-CG 4.3Å |
| 1042 | G | 69.4 | Low | 79.5 | Confident | 41 Ų | 41 | 44.9 Ų | 44.9 | 42% | 0.423 | 24% | 0.242 | S | C | . | . | trans | -61.6 | 156 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1043 | G | 68.3 | Low | 78.9 | Confident | 46 Ų | 46 | 48.3 Ų | 48.3 | 47% | 0.474 | 28% | 0.275 | S | S | . | . | S | Bend | trans | 154.8 | 179 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | R1045 G1046 | G1043-R1045 PolarHBondContact O-N 3.33Å; G1043-G1046 PolarHBondContact O-N 3.26Å |
| 1044 | P | 59.2 | Low | 78.2 | Confident | 134 Ų | 134 | 56.8 Ų | 56.8 | 87% | 0.87 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -16.8 | -173.5 | -26.8 | 35.6 | 0 | 0 | 0 | 116 | ||
| 1045 | R | 58.6 | Low | 77.8 | Confident | 127 Ų | 127 | 58.3 Ų | 58.3 | 48% | 0.479 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -143.6 | 56.9 | 178 | -58.9 | -175.9 | -177.3 | 155.8 | -2.5 | 109.7 | L808 E810 Y982 G1043 | L808-R1045 VanDerWaalsContact CD1-CD 3.4Å; E810-R1045 IonicContact OE1-CZ 3.15Å; E810-R1045 IonicContact OE1-NH1 2.7Å; E810-R1045 PolarHBondContact OE1-NH1 3.23Å; E810-R1045 IonicContact OE1-NH2 2.69Å; E810-R1045 PolarHBondContact OE1-NH2 3.33Å; E810-R1045 IonicContact OE2-NH1 3.99Å; Y982-R1045 HydrophobicContact CE1-CB 4.49Å; G1043-R1045 PolarHBondContact O-N 3.33Å |
| 1046 | G | 67.2 | Low | 77.4 | Confident | 5 Ų | 5 | 62.7 Ų | 62.7 | 5% | 0.052 | 34% | 0.342 | C | S | . | . | trans | -37 | 133.6 | -165.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | G1043 | G1043-G1046 PolarHBondContact O-N 3.26Š| ||
| 1047 | R | 70.7 | Confident | 77.2 | Confident | 147 Ų | 147 | 62.8 Ų | 62.8 | 56% | 0.555 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 126.5 | -165.7 | -67.2 | -175 | -73.5 | -151.4 | -1.9 | 112.6 | V1041 | V1041-R1047 PolarHBondContact N-O 3.35Å; V1041-R1047 PolarHBondContact O-N 3.02Å |
| 1048 | F | 78.7 | Confident | 77 | Confident | 11 Ų | 11 | 65.4 Ų | 65.4 | 5% | 0.048 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 132.7 | 172.9 | -59.6 | -96.7 | 0 | 0 | 0 | 110.5 | T981 H983 R987 F989 F995 K1039 Y1040 | T981-F1048 HydrophobicContact CG2-CE1 4.26Å; T981-F1048 HydrophobicContact CG2-CZ 4.29Å; H983-F1048 HydrophobicContact CB-CE2 3.99Å; H983-F1048 HydrophobicContact CB-CZ 4.13Å; R987-F1048 VanDerWaalsContact NH2-CG 3.34Å; F989-F1048 HydrophobicContact CE1-CE1 4.16Å; F989-F1048 HydrophobicContact CE1-CZ 4.2Å; F989-F1048 HydrophobicContact CZ-CZ 4.36Å; F995-F1048 AromaticContact CD1-CD1 3.72Å; F995-F1048 HydrophobicContact CD1-CD1 3.72Å; F995-F1048 AromaticContact CD1-CE1 3.69Å; F995-F1048 HydrophobicContact CD1-CE1 3.69Å; F995-F1048 HydrophobicContact CD2-CE1 4.31Å; F995-F1048 AromaticContact CE1-CD1 3.86Å; F995-F1048 HydrophobicContact CE1-CD1 3.86Å; F995-F1048 AromaticContact CE1-CE1 3.67Å; F995-F1048 HydrophobicContact CE1-CE1 3.67Å; F995-F1048 HydrophobicContact CE2-CE1 4.32Å; F995-F1048 HydrophobicContact CG-CD1 4.37Å; F995-F1048 HydrophobicContact CG-CE1 4.03Å; F995-F1048 HydrophobicContact CZ-CE1 4.02Å; K1039-F1048 CarbonylContact O-C 3.52Å; K1039-F1048 WeakPolarHBondContact O-CA 3.49Å; Y1040-F1048 HydrophobicContact CD2-CD1 4.22Å; Y1040-F1048 HydrophobicContact CD2-CD2 4.39Å; Y1040-F1048 AromaticContact CD2-CE1 3.95Å; Y1040-F1048 HydrophobicContact CD2-CE1 3.95Å; Y1040-F1048 HydrophobicContact CD2-CE2 4.12Å; Y1040-F1048 HydrophobicContact CD2-CG 4.44Å; Y1040-F1048 AromaticContact CD2-CZ 3.89Å; Y1040-F1048 HydrophobicContact CD2-CZ 3.89Å; Y1040-F1048 HydrophobicContact CE2-CE2 4.31Å; Y1040-F1048 HydrophobicContact CE2-CZ 4.27Å |
| 1049 | Q | 76.7 | Confident | 76.8 | Confident | 90 Ų | 90 | 66.6 Ų | 66.6 | 42% | 0.421 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 143.6 | 178.6 | -64.6 | -178.4 | -23.5 | 0 | 0 | 109.8 | S1038 K1039 V1041 | S1038-Q1049 CarbonylContact C-O 3.48Å; S1038-Q1049 WeakPolarHBondContact CA-O 3.48Å; S1038-Q1049 WeakPolarHBondContact CB-O 3.42Å; K1039-Q1049 HydrophobicContact CB-CB 4.46Å; K1039-Q1049 PolarHBondContact N-O 3.09Å; K1039-Q1049 PolarHBondContact O-N 3.06Å; V1041-Q1049 HydrophobicContact CG2-CG 4.3Å |
| 1050 | K | 78 | Confident | 76.2 | Confident | 62 Ų | 62 | 69.4 Ų | 69.4 | 27% | 0.27 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 141.1 | 174.7 | -167.9 | 168.4 | -172.9 | 164.8 | 0 | 110.3 | D794 Y798 Q855 | D794-K1050 WeakPolarHBondContact OD2-CE 3.25Å; D794-K1050 IonicContact OD2-NZ 3.62Å; D794-K1050 PolarHBondContact OD2-NZ 3.07Å; Y798-K1050 HydrophobicContact CD1-CD 4.31Å; Y798-K1050 HydrophobicContact CE1-CD 4.42Å; Y798-K1050 HydrophobicContact CE2-CB 4.19Å; Y798-K1050 HydrophobicContact CG-CD 4.46Å; Q855-K1050 HydrophobicContact CG-CB 4.26Å |
| 1051 | L | 80.9 | Confident | 75.6 | Confident | 22 Ų | 22 | 73.1 Ų | 73.1 | 12% | 0.115 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 137.1 | 176.3 | -61.9 | 172.4 | 0 | 0 | 0 | 110.3 | L996 C1036 K1039 E1055 | L996-L1051 HydrophobicContact CB-CD2 3.96Å; L996-L1051 HydrophobicContact CD2-CD2 4.04Å; C1036-L1051 HydrophobicContact CB-CD1 4.13Å; K1039-L1051 HydrophobicContact CB-CD2 4.13Å; L1051-E1055 HydrophobicContact CB-CB 4.28Å; L1051-E1055 HydrophobicContact CD2-CB 4.09Å |
| 1052 | T | 80.6 | Confident | 75.5 | Confident | 77 Ų | 77 | 72.1 Ų | 72.1 | 47% | 0.472 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -75.4 | 164.1 | 163.6 | 61.8 | 0 | 0 | 0 | 0 | 110.9 | E1054 E1055 E1056 | T1052-E1054 PolarHBondContact O-N 3.35Å; T1052-E1054 VanDerWaalsContact O-N 3.15Å; T1052-E1055 WeakPolarHBondContact CB-OE2 3.17Å; T1052-E1055 WeakPolarHBondContact CG2-OE2 3.33Å; T1052-E1055 PolarHBondContact N-OE2 3.1Å; T1052-E1055 WeakPolarHBondContact O-CA 3.4Å; T1052-E1055 PolarHBondContact O-N 3.36Å; T1052-E1055 VanDerWaalsContact OG1-CD 3.26Å; T1052-E1055 VanDerWaalsContact OG1-CG 3.29Å; T1052-E1055 WeakPolarHBondContact OG1-CG 3.31Å; T1052-E1055 PolarHBondContact OG1-OE2 2.93Å; T1052-E1056 PolarHBondContact O-N 2.91Å |
| 1053 | A | 76.1 | Confident | 76.1 | Confident | 99 Ų | 99 | 78 Ų | 78 | 82% | 0.818 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -20.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1054 | E | 76.6 | Confident | 76.9 | Confident | 183 Ų | 183 | 79.3 Ų | 79.3 | 86% | 0.855 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -15.9 | 173.3 | -60.3 | -172.8 | 175.7 | 0 | 0 | 113 | T1052 | T1052-E1054 PolarHBondContact O-N 3.35Å; T1052-E1054 VanDerWaalsContact O-N 3.15Å |
| 1055 | E | 84.9 | Confident | 78.2 | Confident | 42 Ų | 42 | 77.4 Ų | 77.4 | 20% | 0.196 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -6.8 | -179 | -69.7 | 172.6 | 131.7 | 0 | 0 | 113.2 | L996 K1039 L1051 T1052 | L996-E1055 HydrophobicContact CD2-CB 3.73Å; L996-E1055 HydrophobicContact CD2-CG 3.79Å; K1039-E1055 WeakPolarHBondContact CD-OE1 3.29Å; K1039-E1055 WeakPolarHBondContact CE-OE1 3.44Å; K1039-E1055 IonicContact NZ-OE1 3.73Å; K1039-E1055 PolarHBondContact NZ-OE1 2.7Å; L1051-E1055 HydrophobicContact CB-CB 4.28Å; L1051-E1055 HydrophobicContact CD2-CB 4.09Å; T1052-E1055 WeakPolarHBondContact CB-OE2 3.17Å; T1052-E1055 WeakPolarHBondContact CG2-OE2 3.33Å; T1052-E1055 PolarHBondContact N-OE2 3.1Å; T1052-E1055 WeakPolarHBondContact O-CA 3.4Å; T1052-E1055 PolarHBondContact O-N 3.36Å; T1052-E1055 VanDerWaalsContact OG1-CD 3.26Å; T1052-E1055 VanDerWaalsContact OG1-CG 3.29Å; T1052-E1055 WeakPolarHBondContact OG1-CG 3.31Å; T1052-E1055 PolarHBondContact OG1-OE2 2.93Å |
| 1056 | E | 82.3 | Confident | 79.4 | Confident | 91 Ų | 91 | 81.2 Ų | 81.2 | 43% | 0.425 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -60.6 | 131 | 172.8 | -77.1 | -147.8 | 163.8 | 0 | 0 | 111.2 | S1016 T1052 S1058 | S1016-E1056 WeakPolarHBondContact CB-OE2 3.46Å; T1052-E1056 PolarHBondContact O-N 2.91Å; E1056-S1058 PolarHBondContact O-N 3.22Å |
| 1057 | P | 85.7 | Confident | 80.2 | Confident | 5 Ų | 5 | 83.2 Ų | 83.2 | 3% | 0.032 | 42% | 0.421 | C | S | . | . | trans | -70.2 | 126.4 | 179.7 | 30.3 | -37.8 | 0 | 0 | 0 | 111.1 | F941 Y975 V1014 M1015 C1036 | F941-P1057 HydrophobicContact CE1-CB 4.29Å; F941-P1057 HydrophobicContact CZ-CB 3.68Å; Y975-P1057 HydrophobicContact CE1-CB 4.43Å; V1014-P1057 HydrophobicContact CB-CB 4.05Å; V1014-P1057 HydrophobicContact CG1-CB 3.91Å; V1014-P1057 HydrophobicContact CG1-CG 3.97Å; M1015-P1057 VanDerWaalsContact C-CG 3.45Å; C1036-P1057 HydrophobicContact CB-CG 3.85Å | ||
| 1058 | S | 81.8 | Confident | 80.7 | Confident | 73 Ų | 73 | 82.9 Ų | 82.9 | 51% | 0.51 | 44% | 0.435 | S | S | . | . | trans | -145.4 | 127 | -177.6 | -179.4 | 0 | 0 | 0 | 0 | 110.7 | Q956 E1056 | Q956-S1058 PolarHBondContact NE2-O 3.01Å; E1056-S1058 PolarHBondContact O-N 3.22Å | ||
| 1059 | E | 80.8 | Confident | 80.6 | Confident | 27 Ų | 27 | 88.6 Ų | 88.6 | 13% | 0.126 | 47% | 0.466 | C | S | . | . | trans | -110.3 | 103.4 | 168.5 | 177.3 | 162.8 | -169.6 | 0 | 0 | 108.7 | S940 F941 I1013 N1061 A1062 | S940-E1059 VanDerWaalsContact CA-OE1 3.3Å; S940-E1059 WeakPolarHBondContact CA-OE1 3.5Å; S940-E1059 VanDerWaalsContact CB-OE1 3.27Å; S940-E1059 WeakPolarHBondContact CB-OE1 3.48Å; S940-E1059 PolarHBondContact OG-OE1 3.41Å; F941-E1059 HydrophobicContact CD2-CB 3.99Å; F941-E1059 HydrophobicContact CE2-CB 4Å; I1013-E1059 HydrophobicContact CD1-CB 4.44Å; E1059-N1061 PolarHBondContact O-N 3.4Å; E1059-A1062 HydrophobicContact CB-CB 4.08Å; E1059-A1062 HydrophobicContact CG-CB 4.1Å; E1059-A1062 WeakPolarHBondContact O-CB 3.4Å; E1059-A1062 PolarHBondContact O-N 3.15Å | ||
| 1060 | P | 76.3 | Confident | 80.7 | Confident | 105 Ų | 105 | 88.2 Ų | 88.2 | 68% | 0.682 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -18.2 | -174 | -27.1 | 35.6 | 0 | 0 | 0 | 115.2 | ||
| 1061 | N | 72.7 | Confident | 80.7 | Confident | 102 Ų | 102 | 88.4 Ų | 88.4 | 55% | 0.545 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -5.6 | -177.8 | -61.3 | -61.2 | 0 | 0 | 0 | 113.5 | E1059 K1063 | E1059-N1061 PolarHBondContact O-N 3.4Å; N1061-K1063 PolarHBondContact O-N 2.8Å |
| 1062 | A | 79.5 | Confident | 80.3 | Confident | 25 Ų | 25 | 94.8 Ų | 94.8 | 21% | 0.207 | 51% | 0.508 | C | S | . | . | trans | -77.1 | 121.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1013 E1059 L1064 | I1013-A1062 HydrophobicContact CD1-CB 3.74Å; E1059-A1062 HydrophobicContact CB-CB 4.08Å; E1059-A1062 HydrophobicContact CG-CB 4.1Å; E1059-A1062 WeakPolarHBondContact O-CB 3.4Å; E1059-A1062 PolarHBondContact O-N 3.15Å; A1062-L1064 HydrophobicContact CB-CD2 4.35Å; A1062-L1064 PolarHBondContact O-N 3.45Å | ||
| 1063 | K | 83.1 | Confident | 79.7 | Confident | 166 Ų | 166 | 94.2 Ų | 94.2 | 72% | 0.722 | 51% | 0.505 | S | S | * | . | trans | -74.7 | 107.6 | 171.7 | -72.8 | -176.8 | 178.7 | 179 | 0 | 109.7 | A1026 N1061 | A1026-K1063 HydrophobicContact CB-CB 4.11Å; A1026-K1063 WeakPolarHBondContact CB-O 3.17Å; A1026-K1063 PolarHBondContact N-O 2.88Å; N1061-K1063 PolarHBondContact O-N 2.8Å | ||
| 1064 | L | 85.1 | Confident | 79.4 | Confident | 73 Ų | 73 | 96.9 Ų | 96.9 | 38% | 0.382 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 120.1 | 179 | -60.7 | -173.8 | 0 | 0 | 0 | 111.4 | M1015 S1019 H1023 P1025 A1062 | M1015-L1064 HydrophobicContact CE-CD1 4.38Å; M1015-L1064 HydrophobicContact CE-CD2 3.84Å; S1019-L1064 WeakPolarHBondContact OG-CD1 3.36Å; H1023-L1064 HydrophobicContact CB-CB 4.12Å; H1023-L1064 HydrophobicContact CB-CD1 4.5Å; P1025-L1064 HydrophobicContact CB-CD2 3.84Å; A1062-L1064 HydrophobicContact CB-CD2 4.35Å; A1062-L1064 PolarHBondContact O-N 3.45Å |
| 1065 | N | 85.9 | Confident | 79.1 | Confident | 93 Ų | 93 | 90 Ų | 90 | 50% | 0.497 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 132.7 | 171.5 | -68.8 | -32.6 | 0 | 0 | 0 | 109.4 | H1023 I1024 | H1023-N1065 CarbonylContact C-O 2.86Å; H1023-N1065 VanDerWaalsContact CA-O 3.23Å; H1023-N1065 WeakPolarHBondContact CA-O 3.41Å; I1024-N1065 HydrophobicContact CG2-CB 3.99Å; I1024-N1065 PolarHBondContact N-O 3.35Å; I1024-N1065 PolarHBondContact O-N 2.95Å |
| 1066 | R | 84.8 | Confident | 78.2 | Confident | 207 Ų | 207 | 90.6 Ų | 90.6 | 78% | 0.781 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 133.1 | 175.6 | -171.8 | 177.9 | 177.3 | -176.9 | 1.1 | 110.7 | ||
| 1067 | R | 84 | Confident | 77.5 | Confident | 48 Ų | 48 | 89.7 Ų | 89.7 | 18% | 0.181 | 48% | 0.475 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 139.7 | 175.6 | -59.3 | -178.6 | -171.3 | -97 | 0.3 | 110.2 | Y1020 Q1022 H1023 I1024 N1069 L1071 | Y1020-R1067 PolarHBondContact O-NE 3.22Å; Y1020-R1067 PolarHBondContact O-NH2 2.99Å; Q1022-R1067 PolarHBondContact O-N 3.33Å; H1023-R1067 VanDerWaalsContact O-CZ 3.23Å; H1023-R1067 PolarHBondContact O-NE 3.49Å; H1023-R1067 PolarHBondContact O-NH2 2.95Å; I1024-R1067 HydrophobicContact CB-CG 4.36Å; R1067-N1069 VanDerWaalsContact C-N 3.33Å; R1067-N1069 VanDerWaalsContact CB-O 3.29Å; R1067-N1069 WeakPolarHBondContact CB-O 3.48Å; R1067-L1071 VanDerWaalsContact CZ-CD1 3.48Å |
| 1068 | V | 80.2 | Confident | 76.4 | Confident | 140 Ų | 140 | 93.2 Ų | 93.2 | 85% | 0.848 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -63.4 | -41.8 | 175.6 | 179.8 | 0 | 0 | 0 | 0 | 111 | ||
| 1069 | N | 77.7 | Confident | 74.8 | Confident | 131 Ų | 131 | 95.6 Ų | 95.6 | 70% | 0.701 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -117.8 | 124.5 | 167.5 | -62.1 | -57.6 | 0 | 0 | 0 | 107.7 | R1067 | R1067-N1069 VanDerWaalsContact C-N 3.33Å; R1067-N1069 VanDerWaalsContact CB-O 3.29Å; R1067-N1069 WeakPolarHBondContact CB-O 3.48Å |
| 1070 | P | 78.3 | Confident | 72.9 | Confident | 82 Ų | 82 | 98 Ų | 98 | 53% | 0.532 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -57 | 147.2 | 170.1 | -24.1 | 34.7 | 0 | 0 | 0 | 111.4 | V1021 | V1021-P1070 HydrophobicContact CG1-CB 4.11Å; V1021-P1070 CarbonylContact O-C 3.16Å; V1021-P1070 VanDerWaalsContact O-CA 3.27Å; V1021-P1070 WeakPolarHBondContact O-CA 3.38Å |
| 1071 | L | 77.7 | Confident | 70.8 | Confident | 65 Ų | 65 | 97.3 Ų | 97.3 | 34% | 0.34 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 135.7 | 173 | -68.5 | 177.8 | 0 | 0 | 0 | 109.7 | Y1020 V1021 R1067 P1073 | Y1020-L1071 HydrophobicContact CD1-CD1 4.07Å; Y1020-L1071 HydrophobicContact CE1-CD1 3.65Å; V1021-L1071 PolarHBondContact O-N 3.35Å; R1067-L1071 VanDerWaalsContact CZ-CD1 3.48Å; L1071-P1073 WeakPolarHBondContact O-CD 3.43Å |
| 1072 | I | 71.3 | Confident | 69 | Low | 157 Ų | 157 | 99.8 Ų | 99.8 | 81% | 0.805 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -81.6 | 118 | 165.4 | -59.7 | 175.4 | 0 | 0 | 0 | 106.5 | K1074 | I1072-K1074 PolarHBondContact O-N 3.44Š|
| 1073 | P | 69.4 | Low | 66.7 | Low | 65 Ų | 65 | 103.1 Ų | 103.1 | 42% | 0.422 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -60.3 | 121.6 | 176 | -21 | 33.2 | 0 | 0 | 0 | 109.7 | L990 V1021 L1071 | L990-P1073 HydrophobicContact CD2-CB 3.89Å; V1021-P1073 HydrophobicContact CG2-CG 3.93Å; L1071-P1073 WeakPolarHBondContact O-CD 3.43Å |
| 1074 | K | 68.7 | Low | 64.1 | Low | 155 Ų | 155 | 105.6 Ų | 105.6 | 67% | 0.674 | 57% | 0.566 | S | S | * | * | trans | -119.9 | 101.5 | 175.6 | -176 | -171.4 | 176.4 | -170.5 | 0 | 108.3 | I1072 V1076 | I1072-K1074 PolarHBondContact O-N 3.44Å; K1074-V1076 HydrophobicContact CG-CG1 4.49Å | ||
| 1075 | L | 71 | Confident | 61.4 | Low | 37 Ų | 37 | 104.9 Ų | 104.9 | 19% | 0.194 | 58% | 0.576 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -70.9 | 140.3 | 169.3 | -55.5 | -177.5 | 0 | 0 | 0 | 110.1 | Y799 K988 F989 L990 | Y799-L1075 HydrophobicContact CD2-CD1 3.64Å; Y799-L1075 HydrophobicContact CE1-CD1 4.44Å; Y799-L1075 HydrophobicContact CE2-CD1 3.24Å; Y799-L1075 HydrophobicContact CE2-CG 4.2Å; Y799-L1075 HydrophobicContact CG-CD1 4.44Å; K988-L1075 HydrophobicContact CB-CB 3.47Å; K988-L1075 VanDerWaalsContact CB-CB 3.47Å; K988-L1075 HydrophobicContact CB-CD1 4.14Å; K988-L1075 HydrophobicContact CB-CG 4.43Å; K988-L1075 HydrophobicContact CD-CB 4.49Å; F989-L1075 VanDerWaalsContact C-CD2 3.48Å; F989-L1075 CarbonylContact O-C 3.52Å; F989-L1075 VanDerWaalsContact O-CA 3.27Å; F989-L1075 WeakPolarHBondContact O-CA 3.3Å; L990-L1075 HydrophobicContact CB-CD2 4.49Å; L990-L1075 HydrophobicContact CD2-CD2 3.69Å; L990-L1075 HydrophobicContact CG-CD2 3.68Å |
| 1076 | V | 66.7 | Low | 58.6 | Low | 55 Ų | 55 | 108.2 Ų | 108.2 | 33% | 0.333 | 59% | 0.594 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -128 | 143.5 | 173.2 | -68.5 | 0 | 0 | 0 | 0 | 109.4 | K988 F989 K1074 Y1078 | K988-V1076 CarbonylContact C-O 3.54Å; K988-V1076 VanDerWaalsContact CA-O 3.32Å; K988-V1076 WeakPolarHBondContact CA-O 3.48Å; F989-V1076 PolarHBondContact N-O 2.81Å; F989-V1076 PolarHBondContact O-N 2.68Å; K1074-V1076 HydrophobicContact CG-CG1 4.49Å; V1076-Y1078 PolarHBondContact O-N 2.78Å |
| 1077 | P | 66.8 | Low | 56.1 | Low | 72 Ų | 72 | 104.8 Ų | 104.8 | 47% | 0.468 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -59.3 | 136 | 169.2 | -19.2 | 31.7 | 0 | 0 | 0 | 110.2 | K988 V1079 | K988-P1077 HydrophobicContact CG-CG 4.43Å; P1077-V1079 HydrophobicContact CB-CG2 4.39Å; P1077-V1079 PolarHBondContact O-N 3.1Å |
| 1078 | Y | 62.7 | Low | 53.5 | Low | 80 Ų | 80 | 107.4 Ų | 107.4 | 31% | 0.314 | 63% | 0.628 | S | S | . | * | trans | -83.4 | 111 | 168.8 | -172.4 | -93.2 | 0 | 0 | 0 | 108.3 | A978 E979 V1076 T1080 | A978-Y1078 HydrophobicContact CB-CD2 4.31Å; A978-Y1078 HydrophobicContact CB-CG 4.39Å; E979-Y1078 HydrophobicContact CB-CE1 4.13Å; E979-Y1078 WeakPolarHBondContact CB-OH 3.37Å; E979-Y1078 PolarHBondContact OE2-OH 3.32Å; V1076-Y1078 PolarHBondContact O-N 2.78Å; Y1078-T1080 HydrophobicContact CD1-CG2 4.12Å; Y1078-T1080 HydrophobicContact CE1-CG2 3.63Å | ||
| 1079 | V | 47.4 | Very low | 51.2 | Low | 122 Ų | 122 | 109.9 Ų | 109.9 | 74% | 0.739 | 63% | 0.63 | S | S | * | * | trans | -102 | 101.1 | -178.3 | -177.2 | 0 | 0 | 0 | 0 | 108.9 | P1077 A1081 | P1077-V1079 HydrophobicContact CB-CG2 4.39Å; P1077-V1079 PolarHBondContact O-N 3.1Å; V1079-A1081 PolarHBondContact O-N 3.5Å | ||
| 1080 | T | 41.7 | Very low | 49.1 | Very low | 78 Ų | 78 | 108.1 Ų | 108.1 | 48% | 0.479 | 63% | 0.628 | S | S | . | * | trans | -65.5 | 126 | 164.4 | 42.7 | 0 | 0 | 0 | 0 | 109.3 | Y1078 N1082 | Y1078-T1080 HydrophobicContact CD1-CG2 4.12Å; Y1078-T1080 HydrophobicContact CE1-CG2 3.63Å; T1080-N1082 PolarHBondContact O-N 3.25Å; T1080-N1082 VanDerWaalsContact O-N 3.15Å | ||
| 1081 | A | 33.1 | Very low | 47 | Very low | 90 Ų | 90 | 108.4 Ų | 108.4 | 74% | 0.744 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -9.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | V1079 | V1079-A1081 PolarHBondContact O-N 3.5Š|
| 1082 | N | 33.1 | Very low | 45 | Very low | 154 Ų | 154 | 111.3 Ų | 111.3 | 82% | 0.824 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.8 | 43.3 | -165.7 | -68.8 | 0.9 | 0 | 0 | 0 | 113.2 | T1080 | T1080-N1082 PolarHBondContact O-N 3.25Å; T1080-N1082 VanDerWaalsContact O-N 3.15Å |
| 1083 | S | 32.3 | Very low | 43.4 | Very low | 96 Ų | 96 | 112.8 Ų | 112.8 | 67% | 0.671 | 65% | 0.648 | S | S | * | * | trans | -140.6 | 41.5 | 179.4 | -54.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1084 | F | 27.5 | Very low | 41.8 | Very low | 217 Ų | 217 | 118.4 Ų | 118.4 | 95% | 0.952 | 67% | 0.667 | S | S | * | * | trans | -92.3 | 110 | 157.6 | -80.6 | -88.8 | 0 | 0 | 0 | 108.4 | ||||
| 1085 | G | 29.6 | Very low | 39.9 | Very low | 58 Ų | 58 | 116.2 Ų | 116.2 | 60% | 0.598 | 67% | 0.669 | S | S | * | * | trans | -177.8 | 102.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1086 | D | 27.8 | Very low | 38.6 | Very low | 163 Ų | 163 | 124 Ų | 124 | 87% | 0.872 | 71% | 0.705 | S | S | * | * | trans | 38.9 | 78.9 | 146.4 | -49.5 | -24.5 | 0 | 0 | 0 | 119.2 | ||||
| 1087 | V | 31.1 | Very low | 37.9 | Very low | 135 Ų | 135 | 127.6 Ų | 127.6 | 82% | 0.818 | 72% | 0.718 | S | S | * | * | trans | -136.1 | 73.8 | 150 | -169.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1088 | A | 30.1 | Very low | 37.8 | Very low | 104 Ų | 104 | 128.6 Ų | 128.6 | 86% | 0.86 | 73% | 0.727 | S | S | * | * | trans | -113.9 | 23.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1089 | E | 31.5 | Very low | 38.4 | Very low | 191 Ų | 191 | 127.4 Ų | 127.4 | 89% | 0.893 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -143.1 | 55.3 | -162.5 | -146.7 | 163.9 | -122.5 | 0 | 0 | 113.5 | ||
| 1090 | S | 33 | Very low | 40.1 | Very low | 95 Ų | 95 | 122.5 Ų | 122.5 | 66% | 0.664 | 70% | 0.695 | S | S | * | * | trans | -154.8 | -15.1 | 174.5 | 63.8 | 0 | 0 | 0 | 0 | 118.3 | V1092 | S1090-V1092 PolarHBondContact O-N 2.97Š| ||
| 1091 | D | 34.8 | Very low | 41.8 | Very low | 88 Ų | 88 | 121.3 Ų | 121.3 | 47% | 0.471 | 69% | 0.686 | S | S | . | * | G | 310 helix | trans | -71.3 | 8.2 | -174.7 | -140.5 | 46.8 | 0 | 0 | 0 | 113.7 | R822 R826 | R822-D1091 IonicContact NH1-OD1 2.88Å; R822-D1091 PolarHBondContact NH1-OD1 3.43Å; R826-D1091 IonicContact CZ-OD2 2.74Å; R826-D1091 IonicContact NH1-OD2 2.83Å; R826-D1091 PolarHBondContact NH1-OD2 3.44Å; R826-D1091 IonicContact NH2-OD2 3.57Å; R826-D1091 PolarHBondContact NH2-OD2 3.04Å |
| 1092 | V | 35.8 | Very low | 44.2 | Very low | 125 Ų | 125 | 119.4 Ų | 119.4 | 76% | 0.758 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -76.8 | -31.4 | -169.8 | -173.9 | 0 | 0 | 0 | 0 | 113.4 | S1090 F1094 | S1090-V1092 PolarHBondContact O-N 2.97Å; V1092-F1094 VanDerWaalsContact C-N 3.35Å; V1092-F1094 PolarHBondContact O-N 3.1Å |
| 1093 | H | 37.5 | Very low | 46.5 | Very low | 188 Ų | 188 | 120.4 Ų | 120.4 | 87% | 0.87 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -84.4 | -0.3 | -170.4 | -120.5 | -71.4 | 0 | 0 | 0 | 115.6 | ||
| 1094 | F | 35.1 | Very low | 49 | Very low | 184 Ų | 184 | 117.6 Ų | 117.6 | 81% | 0.807 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -114.1 | 31 | -174.7 | -118.5 | -80.8 | 0 | 0 | 0 | 114.1 | V1092 | V1092-F1094 VanDerWaalsContact C-N 3.35Å; V1092-F1094 PolarHBondContact O-N 3.1Å |
| 1095 | C | 29.5 | Very low | 51.8 | Low | 108 Ų | 108 | 109.6 Ų | 109.6 | 73% | 0.73 | 61% | 0.61 | S | S | * | * | trans | -130.5 | 83.2 | -173.6 | -170.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1096 | Q | 43.2 | Very low | 54.6 | Low | 200 Ų | 200 | 110 Ų | 110 | 94% | 0.935 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -131.2 | -26.1 | 162.6 | -73.5 | -171 | -12.2 | 0 | 0 | 114.3 | ||
| 1097 | Q | 51.8 | Low | 57.6 | Low | 131 Ų | 131 | 102.4 Ų | 102.4 | 61% | 0.612 | 56% | 0.556 | S | S | * | * | trans | -105.8 | 114.7 | 176.9 | -69 | -179.3 | -9.1 | 0 | 0 | 111.6 | R828 I1099 | R828-Q1097 PolarHBondContact NH2-O 3.41Å; Q1097-I1099 VanDerWaalsContact C-N 3.29Å; Q1097-I1099 PolarHBondContact O-N 3.14Å | ||
| 1098 | S | 65.4 | Low | 60.2 | Low | 93 Ų | 93 | 99.4 Ų | 99.4 | 65% | 0.65 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -69.3 | -25.7 | 177.9 | 57.8 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1099 | I | 75.2 | Confident | 62.6 | Low | 55 Ų | 55 | 98.3 Ų | 98.3 | 28% | 0.282 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -123.8 | 143.7 | -177.4 | -70.9 | 171 | 0 | 0 | 0 | 108.7 | K830 Q1097 | K830-I1099 VanDerWaalsContact CE-CD1 3.45Å; K830-I1099 HydrophobicContact CG-CD1 4.24Å; K830-I1099 HydrophobicContact CG-CG1 4.35Å; K830-I1099 HydrophobicContact CG-CG2 3.64Å; Q1097-I1099 VanDerWaalsContact C-N 3.29Å; Q1097-I1099 PolarHBondContact O-N 3.14Å |
| 1100 | L | 82.3 | Confident | 64.2 | Low | 19 Ų | 19 | 97.5 Ų | 97.5 | 10% | 0.099 | 51% | 0.511 | C | S | . | . | B | Isolated β-bridge | trans | -90.3 | 104.5 | 166 | -68.7 | 172.4 | 0 | 0 | 0 | 108.2 | N823 R828 Y829 R834 | N823-L1100 HydrophobicContact CB-CD1 3.86Å; N823-L1100 WeakPolarHBondContact ND2-CD1 3.35Å; R828-L1100 HydrophobicContact CB-CD1 4.16Å; R828-L1100 HydrophobicContact CB-CG 4.06Å; R828-L1100 PolarHBondContact O-N 2.98Å; Y829-L1100 HydrophobicContact CD1-CB 4.2Å; Y829-L1100 HydrophobicContact CD1-CD1 3.98Å; Y829-L1100 HydrophobicContact CE1-CB 4.34Å; Y829-L1100 HydrophobicContact CE1-CD1 3.48Å; Y829-L1100 VanDerWaalsContact CE1-CD1 3.48Å; Y829-L1100 HydrophobicContact CE2-CD1 4.34Å; R834-L1100 HydrophobicContact CG-CB 4.33Å |
| 1101 | D | 77.3 | Confident | 65.3 | Low | 54 Ų | 54 | 96.5 Ų | 96.5 | 29% | 0.289 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -97.2 | 170.1 | -178.8 | -152.9 | -7 | 0 | 0 | 0 | 111.3 | R834 R1104 | R834-D1101 PolarHBondContact NE-O 2.83Å; D1101-R1104 VanDerWaalsContact CG-NH1 3.26Å; D1101-R1104 IonicContact OD1-CZ 2.76Å; D1101-R1104 IonicContact OD1-NH1 2.91Å; D1101-R1104 PolarHBondContact OD1-NH1 3Å; D1101-R1104 IonicContact OD1-NH2 3.29Å; D1101-R1104 PolarHBondContact OD1-NH2 2.83Å; D1101-R1104 IonicContact OD2-CZ 3.61Å; D1101-R1104 IonicContact OD2-NH1 3.78Å; D1101-R1104 PolarHBondContact OD2-NH1 2.92Å; D1101-R1104 IonicContact OD2-NH2 2.7Å; D1101-R1104 PolarHBondContact OD2-NH2 3.47Å |
| 1102 | M | 85.2 | Confident | 66 | Low | 50 Ų | 50 | 101.4 Ų | 101.4 | 25% | 0.246 | 53% | 0.529 | C | S | . | . | P | Polyproline II helix | trans | -86.1 | 151.9 | 166.4 | -76.3 | -167.6 | 66.4 | 0 | 0 | 111.4 | D833 R834 L1263 | D833-M1102 HydrophobicContact CB-SD 4.15Å; R834-M1102 HydrophobicContact CB-CG 4.14Å; M1102-L1263 HydrophobicContact CB-CD2 4.05Å; M1102-L1263 HydrophobicContact CE-CD1 3.93Å; M1102-L1263 HydrophobicContact SD-CD1 3.73Å |
| 1103 | E | 80.4 | Confident | 66.5 | Low | 175 Ų | 175 | 99.5 Ų | 99.5 | 82% | 0.818 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -67 | 144.4 | 166.5 | -68.8 | 172.3 | -166 | 0 | 0 | 109.7 | ||
| 1104 | R | 85.7 | Confident | 67.3 | Low | 37 Ų | 37 | 95.3 Ų | 95.3 | 14% | 0.14 | 51% | 0.514 | C | S | . | . | trans | -138.1 | 147.3 | -179.7 | -61.7 | -175.4 | -171.4 | 82.1 | 3.5 | 108.8 | D1101 W1129 E1219 L1263 | D1101-R1104 VanDerWaalsContact CG-NH1 3.26Å; D1101-R1104 IonicContact OD1-CZ 2.76Å; D1101-R1104 IonicContact OD1-NH1 2.91Å; D1101-R1104 PolarHBondContact OD1-NH1 3Å; D1101-R1104 IonicContact OD1-NH2 3.29Å; D1101-R1104 PolarHBondContact OD1-NH2 2.83Å; D1101-R1104 IonicContact OD2-CZ 3.61Å; D1101-R1104 IonicContact OD2-NH1 3.78Å; D1101-R1104 PolarHBondContact OD2-NH1 2.92Å; D1101-R1104 IonicContact OD2-NH2 2.7Å; D1101-R1104 PolarHBondContact OD2-NH2 3.47Å; R1104-W1129 HydrophobicContact CB-CD2 3.91Å; R1104-W1129 HydrophobicContact CB-CE3 3.89Å; R1104-W1129 HydrophobicContact CB-CH2 3.84Å; R1104-W1129 HydrophobicContact CB-CZ2 3.84Å; R1104-W1129 HydrophobicContact CB-CZ3 3.86Å; R1104-W1129 HydrophobicContact CG-CD2 4.48Å; R1104-W1129 WeakPolarHBondContact O-CH2 3.47Å; R1104-W1129 WeakPolarHBondContact O-CZ2 3.49Å; R1104-E1219 IonicContact NH2-OE2 3.87Å; R1104-L1263 HydrophobicContact CG-CB 4.35Å; R1104-L1263 HydrophobicContact CG-CD2 4.19Å; R1104-L1263 VanDerWaalsContact NE-CD2 3.33Å | ||
| 1105 | A | 85 | Confident | 68.2 | Low | 48 Ų | 48 | 96.5 Ų | 96.5 | 40% | 0.397 | 52% | 0.522 | S | S | . | . | trans | -106.7 | 156.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q1122 W1129 | A1105-Q1122 PolarHBondContact O-NE2 3.13Å; A1105-W1129 WeakPolarHBondContact O-CZ3 3.23Å | ||
| 1106 | E | 90 | Very high | 69.8 | Low | 68 Ų | 68 | 99.7 Ų | 99.7 | 32% | 0.318 | 53% | 0.526 | S | S | . | . | trans | -78 | 131 | 164 | -56.6 | -155.1 | 126.3 | 0 | 0 | 109.2 | P1108 Y1120 Q1122 C1124 W1129 K1155 | E1106-P1108 WeakPolarHBondContact O-CD 3.27Å; E1106-Y1120 HydrophobicContact CB-CD1 4.28Å; E1106-Y1120 HydrophobicContact CB-CE1 4.11Å; E1106-Q1122 WeakPolarHBondContact CA-O 3.45Å; E1106-C1124 PolarHBondContact OE1-N 3.29Å; E1106-W1129 HydrophobicContact CG-CH2 4.3Å; E1106-W1129 HydrophobicContact CG-CZ3 4.18Å; E1106-K1155 WeakPolarHBondContact OE1-CE 3.46Å; E1106-K1155 IonicContact OE1-NZ 2.78Å; E1106-K1155 PolarHBondContact OE1-NZ 3.34Å; E1106-K1155 IonicContact OE2-NZ 3.59Å; E1106-K1155 PolarHBondContact OE2-NZ 3.27Å | ||
| 1107 | V | 89.1 | Confident | 71.2 | Confident | 3 Ų | 3 | 92.3 Ų | 92.3 | 2% | 0.018 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 102.8 | -174.1 | 179.2 | 0 | 0 | 0 | 0 | 108.6 | Y1120 E1121 Q1122 S1259 E1261 V1262 | V1107-Y1120 CarbonylContact O-C 3.41Å; V1107-Y1120 WeakPolarHBondContact O-CA 3.14Å; V1107-E1121 HydrophobicContact CB-CB 4.29Å; V1107-E1121 HydrophobicContact CG1-CB 4.01Å; V1107-E1121 HydrophobicContact CG1-CG 4.42Å; V1107-E1121 PolarHBondContact O-N 3.01Å; V1107-Q1122 HydrophobicContact CB-CB 4.26Å; V1107-Q1122 HydrophobicContact CG2-CB 4.29Å; V1107-Q1122 PolarHBondContact N-O 2.98Å; V1107-S1259 VanDerWaalsContact CG1-CB 3.48Å; V1107-E1261 HydrophobicContact CG2-CB 3.89Å; V1107-V1262 HydrophobicContact CB-CG2 4.01Å; V1107-V1262 HydrophobicContact CG1-CG2 4Å; V1107-V1262 HydrophobicContact CG2-CG2 3.84Å |
| 1108 | P | 86.5 | Confident | 72.5 | Confident | 72 Ų | 72 | 88.9 Ų | 88.9 | 47% | 0.468 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 144.5 | 170.8 | -19.6 | 32.9 | 0 | 0 | 0 | 111.2 | E1106 Y1120 | E1106-P1108 WeakPolarHBondContact O-CD 3.27Å; P1108-Y1120 HydrophobicContact CG-CD1 4.49Å; P1108-Y1120 HydrophobicContact CG-CE1 4.15Å |
| 1109 | K | 81.1 | Confident | 73.6 | Confident | 81 Ų | 81 | 87 Ų | 87 | 35% | 0.352 | 46% | 0.462 | S | S | . | . | trans | -84.3 | 127.5 | -179.2 | -174.3 | 177.2 | 164.7 | -165 | 0 | 110.3 | A1111 E1119 E1121 | K1109-A1111 VanDerWaalsContact C-N 3.29Å; K1109-A1111 PolarHBondContact O-N 3.35Å; K1109-E1119 HydrophobicContact CB-CB 4.11Å; K1109-E1119 HydrophobicContact CD-CB 4.14Å; K1109-E1119 WeakPolarHBondContact CD-OE2 3.43Å; K1109-E1119 WeakPolarHBondContact CE-OE2 3.25Å; K1109-E1119 PolarHBondContact N-O 3.15Å; K1109-E1119 IonicContact NZ-OE2 2.9Å; K1109-E1119 PolarHBondContact NZ-OE2 3.33Å; K1109-E1121 HydrophobicContact CB-CG 3.88Å; K1109-E1121 HydrophobicContact CG-CG 4.07Å | ||
| 1110 | Q | 65.3 | Low | 74.4 | Confident | 174 Ų | 174 | 86 Ų | 86 | 81% | 0.813 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -77.7 | 68.4 | -173.6 | -64.3 | -173.7 | 5.5 | 0 | 0 | 113.4 | ||
| 1111 | A | 56.1 | Low | 74.8 | Confident | 74 Ų | 74 | 85.4 Ų | 85.4 | 61% | 0.612 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -151.9 | 143.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | K1109 A1113 | K1109-A1111 VanDerWaalsContact C-N 3.29Å; K1109-A1111 PolarHBondContact O-N 3.35Å; A1111-A1113 PolarHBondContact O-N 3.36Å; A1111-A1113 VanDerWaalsContact O-N 3.13Å |
| 1112 | E | 48.1 | Very low | 75.5 | Confident | 191 Ų | 191 | 83 Ų | 83 | 89% | 0.893 | 44% | 0.439 | S | S | * | . | trans | 3.7 | 85.6 | 171.6 | -63.8 | -178.2 | 168.7 | 0 | 0 | 116.9 | T1114 | E1112-T1114 PolarHBondContact O-N 2.71Å; E1112-T1114 VanDerWaalsContact O-N 3.13Å | ||
| 1113 | A | 46.9 | Very low | 75.8 | Confident | 84 Ų | 84 | 80.7 Ų | 80.7 | 69% | 0.694 | 43% | 0.427 | S | S | * | . | trans | -68 | 108 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | A1111 | A1111-A1113 PolarHBondContact O-N 3.36Å; A1111-A1113 VanDerWaalsContact O-N 3.13Å | ||
| 1114 | T | 53.1 | Low | 76.2 | Confident | 100 Ų | 100 | 73.6 Ų | 73.6 | 61% | 0.613 | 40% | 0.397 | S | S | * | . | B | Isolated β-bridge | trans | -77.5 | 148.3 | 162.8 | 54.4 | 0 | 0 | 0 | 0 | 109.1 | E1112 E1116 D1117 | E1112-T1114 PolarHBondContact O-N 2.71Å; E1112-T1114 VanDerWaalsContact O-N 3.13Å; T1114-E1116 PolarHBondContact O-N 2.95Å; T1114-D1117 PolarHBondContact O-N 3.42Å |
| 1115 | E | 55.2 | Low | 76.1 | Confident | 209 Ų | 209 | 72.7 Ų | 72.7 | 98% | 0.977 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -4.2 | -158.4 | -60.3 | -172.4 | 128.5 | 0 | 0 | 116.6 | ||
| 1116 | E | 62.6 | Low | 75.7 | Confident | 175 Ų | 175 | 77.3 Ų | 77.3 | 82% | 0.818 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.3 | -20.6 | -174.8 | -60.4 | -174.5 | 147.9 | 0 | 0 | 115.2 | T1114 | T1114-E1116 PolarHBondContact O-N 2.95Š|
| 1117 | D | 72.8 | Confident | 75.1 | Confident | 45 Ų | 45 | 76.9 Ų | 76.9 | 24% | 0.241 | 43% | 0.429 | C | S | . | . | B | Isolated β-bridge | trans | -131.9 | 117.5 | -172.5 | -103.2 | -0.5 | 0 | 0 | 0 | 111.4 | T1114 S1156 | T1114-D1117 PolarHBondContact O-N 3.42Å; D1117-S1156 WeakPolarHBondContact OD1-CB 3.29Å; D1117-S1156 PolarHBondContact OD1-OG 3.11Å |
| 1118 | T | 79.7 | Confident | 74.9 | Confident | 60 Ų | 60 | 78.4 Ų | 78.4 | 37% | 0.368 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 121.3 | 175.2 | -56.7 | 0 | 0 | 0 | 0 | 111.5 | Y1120 W1154 K1155 | T1118-Y1120 HydrophobicContact CG2-CD2 4.3Å; T1118-Y1120 HydrophobicContact CG2-CE2 3.64Å; T1118-Y1120 VanDerWaalsContact O-CD2 3.28Å; T1118-Y1120 WeakPolarHBondContact O-CD2 3.4Å; T1118-Y1120 WeakPolarHBondContact O-CE2 3.25Å; T1118-W1154 CarbonylContact O-C 3.46Å; T1118-W1154 WeakPolarHBondContact O-CA 3.4Å; T1118-W1154 VanDerWaalsContact O-CB 3.27Å; T1118-W1154 WeakPolarHBondContact O-CB 3.43Å; T1118-K1155 PolarHBondContact N-O 3.26Å; T1118-K1155 PolarHBondContact O-N 3.3Å |
| 1119 | E | 88.9 | Confident | 75 | Confident | 53 Ų | 53 | 77.8 Ų | 77.8 | 25% | 0.248 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 145.7 | 173.8 | -68.1 | -161.8 | 178.5 | 0 | 0 | 113.1 | K1109 R1152 I1153 W1154 | K1109-E1119 HydrophobicContact CB-CB 4.11Å; K1109-E1119 HydrophobicContact CD-CB 4.14Å; K1109-E1119 WeakPolarHBondContact CD-OE2 3.43Å; K1109-E1119 WeakPolarHBondContact CE-OE2 3.25Å; K1109-E1119 PolarHBondContact N-O 3.15Å; K1109-E1119 IonicContact NZ-OE2 2.9Å; K1109-E1119 PolarHBondContact NZ-OE2 3.33Å; E1119-R1152 IonicContact OE1-CZ 3.24Å; E1119-R1152 IonicContact OE1-NE 2.99Å; E1119-R1152 PolarHBondContact OE1-NE 3.37Å; E1119-R1152 IonicContact OE1-NH2 3.48Å; E1119-R1152 PolarHBondContact OE1-NH2 3.28Å; E1119-I1153 WeakPolarHBondContact CA-O 3.07Å; E1119-W1154 HydrophobicContact CG-CB 4.36Å |
| 1120 | Y | 90.7 | Very high | 75.5 | Confident | 34 Ų | 34 | 74 Ų | 74 | 13% | 0.133 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 149.1 | -179.1 | -69.7 | -101.5 | 0 | 0 | 0 | 112.1 | E1106 V1107 P1108 T1118 A1123 I1153 K1155 | E1106-Y1120 HydrophobicContact CB-CD1 4.28Å; E1106-Y1120 HydrophobicContact CB-CE1 4.11Å; V1107-Y1120 CarbonylContact O-C 3.41Å; V1107-Y1120 WeakPolarHBondContact O-CA 3.14Å; P1108-Y1120 HydrophobicContact CG-CD1 4.49Å; P1108-Y1120 HydrophobicContact CG-CE1 4.15Å; T1118-Y1120 HydrophobicContact CG2-CD2 4.3Å; T1118-Y1120 HydrophobicContact CG2-CE2 3.64Å; T1118-Y1120 VanDerWaalsContact O-CD2 3.28Å; T1118-Y1120 WeakPolarHBondContact O-CD2 3.4Å; T1118-Y1120 WeakPolarHBondContact O-CE2 3.25Å; Y1120-A1123 HydrophobicContact CD1-CB 4.23Å; Y1120-A1123 HydrophobicContact CG-CB 4.13Å; Y1120-I1153 PolarHBondContact N-O 3.02Å; Y1120-K1155 HydrophobicContact CD2-CG 4.09Å; Y1120-K1155 HydrophobicContact CE2-CB 3.83Å; Y1120-K1155 HydrophobicContact CE2-CD 3.85Å; Y1120-K1155 HydrophobicContact CE2-CG 3.55Å |
| 1121 | E | 90.6 | Very high | 76.7 | Confident | 7 Ų | 7 | 66.6 Ų | 66.6 | 3% | 0.033 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | -36.2 | 170 | -61.6 | -155 | 131.9 | 0 | 0 | 112.2 | V1107 K1109 K1131 L1132 H1257 V1258 S1259 V1262 | V1107-E1121 HydrophobicContact CB-CB 4.29Å; V1107-E1121 HydrophobicContact CG1-CB 4.01Å; V1107-E1121 HydrophobicContact CG1-CG 4.42Å; V1107-E1121 PolarHBondContact O-N 3.01Å; K1109-E1121 HydrophobicContact CB-CG 3.88Å; K1109-E1121 HydrophobicContact CG-CG 4.07Å; E1121-K1131 VanDerWaalsContact O-CA 3.31Å; E1121-K1131 WeakPolarHBondContact O-CA 3.32Å; E1121-L1132 HydrophobicContact CB-CD1 4.48Å; E1121-L1132 HydrophobicContact CG-CD1 4.45Å; E1121-L1132 PolarHBondContact O-N 3.02Å; E1121-H1257 HydrophobicContact CB-CB 3.8Å; E1121-H1257 HydrophobicContact CG-CB 4.08Å; E1121-H1257 PolarHBondContact O-ND1 2.55Å; E1121-H1257 VanDerWaalsContact OE2-CB 3.24Å; E1121-H1257 WeakPolarHBondContact OE2-CB 3.39Å; E1121-V1258 WeakPolarHBondContact OE1-CG2 3.28Å; E1121-V1258 PolarHBondContact OE1-N 2.67Å; E1121-V1258 PolarHBondContact OE2-N 3.04Å; E1121-S1259 PolarHBondContact OE2-N 3.31Å; E1121-S1259 VanDerWaalsContact OE2-N 3.08Å; E1121-V1262 HydrophobicContact CB-CG2 4.1Å |
| 1122 | Q | 92.4 | Very high | 78.5 | Confident | 4 Ų | 4 | 63.7 Ų | 63.7 | 2% | 0.019 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 132.9 | 174.6 | 179.5 | 175.9 | -101.6 | 0 | 0 | 108.3 | A1105 E1106 V1107 W1129 V1130 K1131 V1262 L1263 | A1105-Q1122 PolarHBondContact O-NE2 3.13Å; E1106-Q1122 WeakPolarHBondContact CA-O 3.45Å; V1107-Q1122 HydrophobicContact CB-CB 4.26Å; V1107-Q1122 HydrophobicContact CG2-CB 4.29Å; V1107-Q1122 PolarHBondContact N-O 2.98Å; Q1122-W1129 HydrophobicContact CG-CE3 4.13Å; Q1122-W1129 HydrophobicContact CG-CZ3 4.36Å; Q1122-V1130 WeakPolarHBondContact CA-O 3.34Å; Q1122-K1131 HydrophobicContact CB-CB 4.12Å; Q1122-K1131 HydrophobicContact CG-CB 4.26Å; Q1122-V1262 HydrophobicContact CB-CG1 4.03Å; Q1122-V1262 HydrophobicContact CB-CG2 4Å; Q1122-V1262 HydrophobicContact CG-CG1 4.49Å; Q1122-L1263 VanDerWaalsContact OE1-N 3.15Å |
| 1123 | A | 91.1 | Very high | 80.4 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 168.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y1120 V1130 I1153 T1160 | Y1120-A1123 HydrophobicContact CD1-CB 4.23Å; Y1120-A1123 HydrophobicContact CG-CB 4.13Å; A1123-V1130 PolarHBondContact N-O 3.13Å; A1123-V1130 PolarHBondContact O-N 3.29Å; A1123-I1153 HydrophobicContact CB-CG2 3.95Å; A1123-T1160 HydrophobicContact CB-CG2 4.25Å |
| 1124 | C | 88.7 | Confident | 82.6 | Confident | 26 Ų | 26 | 52.3 Ų | 52.3 | 18% | 0.176 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 139.8 | 176.8 | -170.8 | 0 | 0 | 0 | 0 | 111.2 | E1106 I1128 W1129 | E1106-C1124 PolarHBondContact OE1-N 3.29Å; C1124-I1128 WeakPolarHBondContact CA-O 3.26Å; C1124-W1129 HydrophobicContact CB-CD2 3.83Å; C1124-W1129 HydrophobicContact CB-CE3 3.76Å; C1124-W1129 HydrophobicContact CB-CH2 3.9Å; C1124-W1129 HydrophobicContact CB-CZ2 3.97Å; C1124-W1129 HydrophobicContact CB-CZ3 3.8Å |
| 1125 | A | 83.8 | Confident | 84.4 | Confident | 18 Ų | 18 | 47.9 Ų | 47.9 | 15% | 0.149 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 135.2 | 159.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | G1127 I1128 L1197 | A1125-G1127 PolarHBondContact O-N 2.65Å; A1125-G1127 VanDerWaalsContact O-N 3.1Å; A1125-I1128 PolarHBondContact N-O 2.94Å; A1125-I1128 WeakPolarHBondContact O-CB 3.4Å; A1125-I1128 PolarHBondContact O-N 3.01Å; A1125-L1197 HydrophobicContact CB-CB 4.31Å; A1125-L1197 HydrophobicContact CB-CD2 3.69Å; A1125-L1197 HydrophobicContact CB-CG 4.08Å |
| 1126 | N | 77.6 | Confident | 86.2 | Confident | 145 Ų | 145 | 38 Ų | 38 | 78% | 0.775 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 34.5 | 178.5 | -58.6 | -9.3 | 0 | 0 | 0 | 114.2 | I1128 | N1126-I1128 PolarHBondContact O-N 3.33Š|
| 1127 | G | 77.8 | Confident | 87.5 | Confident | 60 Ų | 60 | 30.4 Ų | 30.4 | 62% | 0.619 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | -5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | A1125 W1129 | A1125-G1127 PolarHBondContact O-N 2.65Å; A1125-G1127 VanDerWaalsContact O-N 3.1Å; G1127-W1129 PolarHBondContact O-N 3.18Å |
| 1128 | I | 84 | Confident | 88.3 | Confident | 34 Ų | 34 | 28.3 Ų | 28.3 | 17% | 0.174 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 102.2 | 174.1 | -53.4 | 179.7 | 0 | 0 | 0 | 108.5 | C1124 A1125 N1126 M1136 L1197 | C1124-I1128 WeakPolarHBondContact CA-O 3.26Å; A1125-I1128 PolarHBondContact N-O 2.94Å; A1125-I1128 WeakPolarHBondContact O-CB 3.4Å; A1125-I1128 PolarHBondContact O-N 3.01Å; N1126-I1128 PolarHBondContact O-N 3.33Å; I1128-M1136 HydrophobicContact CG2-CE 3.61Å; I1128-L1197 HydrophobicContact CG2-CD1 4.27Å |
| 1129 | W | 88.5 | Confident | 88.6 | Confident | 60 Ų | 60 | 29.9 Ų | 29.9 | 23% | 0.227 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 132.6 | 167.2 | -71.4 | 97.4 | 0 | 0 | 0 | 110.8 | R1104 A1105 E1106 Q1122 C1124 G1127 | R1104-W1129 HydrophobicContact CB-CD2 3.91Å; R1104-W1129 HydrophobicContact CB-CE3 3.89Å; R1104-W1129 HydrophobicContact CB-CH2 3.84Å; R1104-W1129 HydrophobicContact CB-CZ2 3.84Å; R1104-W1129 HydrophobicContact CB-CZ3 3.86Å; R1104-W1129 HydrophobicContact CG-CD2 4.48Å; R1104-W1129 WeakPolarHBondContact O-CH2 3.47Å; R1104-W1129 WeakPolarHBondContact O-CZ2 3.49Å; A1105-W1129 WeakPolarHBondContact O-CZ3 3.23Å; E1106-W1129 HydrophobicContact CG-CH2 4.3Å; E1106-W1129 HydrophobicContact CG-CZ3 4.18Å; Q1122-W1129 HydrophobicContact CG-CE3 4.13Å; Q1122-W1129 HydrophobicContact CG-CZ3 4.36Å; C1124-W1129 HydrophobicContact CB-CD2 3.83Å; C1124-W1129 HydrophobicContact CB-CE3 3.76Å; C1124-W1129 HydrophobicContact CB-CH2 3.9Å; C1124-W1129 HydrophobicContact CB-CZ2 3.97Å; C1124-W1129 HydrophobicContact CB-CZ3 3.8Å; G1127-W1129 PolarHBondContact O-N 3.18Å |
| 1130 | V | 90.9 | Very high | 87.9 | Confident | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.012 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 141.1 | 173.5 | 63.2 | 0 | 0 | 0 | 0 | 110 | Q1122 A1123 D1134 M1136 V1150 I1153 V1162 L1197 | Q1122-V1130 WeakPolarHBondContact CA-O 3.34Å; A1123-V1130 PolarHBondContact N-O 3.13Å; A1123-V1130 PolarHBondContact O-N 3.29Å; V1130-D1134 WeakPolarHBondContact CA-OD2 3.26Å; V1130-D1134 HydrophobicContact CG2-CB 4.18Å; V1130-M1136 HydrophobicContact CB-CE 4.38Å; V1130-M1136 HydrophobicContact CB-SD 4.06Å; V1130-M1136 HydrophobicContact CG2-CE 4.43Å; V1130-M1136 HydrophobicContact CG2-SD 3.51Å; V1130-M1136 VanDerWaalsContact CG2-SD 3.51Å; V1130-V1150 HydrophobicContact CG2-CG1 4.49Å; V1130-V1150 HydrophobicContact CG2-CG2 4.03Å; V1130-I1153 HydrophobicContact CG1-CD1 4.1Å; V1130-I1153 HydrophobicContact CG1-CG1 4.47Å; V1130-I1153 HydrophobicContact CG2-CD1 4.25Å; V1130-V1162 HydrophobicContact CG1-CG1 4.44Å; V1130-L1197 HydrophobicContact CB-CD1 4.18Å; V1130-L1197 HydrophobicContact CG1-CD1 3.83Å; V1130-L1197 HydrophobicContact CG1-CD2 3.57Å; V1130-L1197 HydrophobicContact CG1-CG 4.39Å |
| 1131 | K | 92.2 | Very high | 87.2 | Confident | 18 Ų | 18 | 34.3 Ų | 34.3 | 8% | 0.078 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 157.4 | 170.9 | 72.4 | -167.8 | -173 | -169.2 | 0 | 110.8 | E1121 Q1122 G1133 D1134 V1262 L1263 D1265 | E1121-K1131 VanDerWaalsContact O-CA 3.31Å; E1121-K1131 WeakPolarHBondContact O-CA 3.32Å; Q1122-K1131 HydrophobicContact CB-CB 4.12Å; Q1122-K1131 HydrophobicContact CG-CB 4.26Å; K1131-G1133 PolarHBondContact O-N 3.36Å; K1131-D1134 PolarHBondContact N-OD2 3.06Å; K1131-D1134 VanDerWaalsContact O-CB 3.26Å; K1131-D1134 WeakPolarHBondContact O-CB 3.41Å; K1131-D1134 PolarHBondContact O-N 2.76Å; K1131-D1134 VanDerWaalsContact O-N 3.16Å; K1131-V1262 HydrophobicContact CB-CG1 4.11Å; K1131-V1262 HydrophobicContact CD-CG1 3.93Å; K1131-L1263 PolarHBondContact NZ-O 3.11Å; K1131-D1265 WeakPolarHBondContact CE-OD2 3.34Å; K1131-D1265 IonicContact NZ-OD1 2.84Å; K1131-D1265 PolarHBondContact NZ-OD1 3.41Å; K1131-D1265 IonicContact NZ-OD2 3.27Å; K1131-D1265 PolarHBondContact NZ-OD2 2.99Å |
| 1132 | L | 91.9 | Very high | 86.2 | Confident | 13 Ų | 13 | 43.4 Ų | 43.4 | 7% | 0.068 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 137.8 | 179 | -58.5 | 170 | 0 | 0 | 0 | 110.9 | E1121 D1134 I1153 V1255 H1257 | E1121-L1132 HydrophobicContact CB-CD1 4.48Å; E1121-L1132 HydrophobicContact CG-CD1 4.45Å; E1121-L1132 PolarHBondContact O-N 3.02Å; L1132-D1134 VanDerWaalsContact C-N 3.33Å; L1132-I1153 HydrophobicContact CD2-CB 4.35Å; L1132-I1153 HydrophobicContact CD2-CD1 3.9Å; L1132-I1153 HydrophobicContact CD2-CG1 3.86Å; L1132-I1153 HydrophobicContact CG-CD1 4.16Å; L1132-V1255 VanDerWaalsContact C-CG1 3.47Å; L1132-V1255 HydrophobicContact CB-CG1 3.61Å; L1132-V1255 VanDerWaalsContact O-CG1 3.24Å; L1132-V1255 WeakPolarHBondContact O-CG1 3.33Å; L1132-H1257 PolarHBondContact N-CE1 2.97Å; L1132-H1257 PolarHBondContact O-CE1 2.94Å |
| 1133 | G | 89.5 | Confident | 84.9 | Confident | 11 Ų | 11 | 48 Ų | 48 | 11% | 0.113 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.7 | -16.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | K1131 R1149 V1150 | K1131-G1133 PolarHBondContact O-N 3.36Å; G1133-R1149 PolarHBondContact O-NE 3.12Å; G1133-V1150 WeakPolarHBondContact CA-O 3.49Å; G1133-V1150 PolarHBondContact N-O 3.47Å |
| 1134 | D | 91.8 | Very high | 83.7 | Confident | 24 Ų | 24 | 48.7 Ų | 48.7 | 13% | 0.128 | 29% | 0.285 | C | S | . | . | trans | -53.7 | 153 | 171.1 | -83.8 | -16.9 | 0 | 0 | 0 | 110.9 | V1130 K1131 L1132 R1149 V1150 | V1130-D1134 WeakPolarHBondContact CA-OD2 3.26Å; V1130-D1134 HydrophobicContact CG2-CB 4.18Å; K1131-D1134 PolarHBondContact N-OD2 3.06Å; K1131-D1134 VanDerWaalsContact O-CB 3.26Å; K1131-D1134 WeakPolarHBondContact O-CB 3.41Å; K1131-D1134 PolarHBondContact O-N 2.76Å; K1131-D1134 VanDerWaalsContact O-N 3.16Å; L1132-D1134 VanDerWaalsContact C-N 3.33Å; D1134-R1149 WeakPolarHBondContact O-CA 3.45Å; D1134-V1150 PolarHBondContact O-N 2.76Å | ||
| 1135 | C | 92.6 | Very high | 83.4 | Confident | 7 Ų | 7 | 51.4 Ų | 51.4 | 5% | 0.047 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 132.6 | 170.8 | -59 | 0 | 0 | 0 | 0 | 108.8 | V1148 C1204 I1206 | C1135-V1148 WeakPolarHBondContact CA-O 3.43Å; C1135-C1204 WeakPolarHBondContact CB-O 3.27Å; C1135-C1204 VanDerWaalsContact CB-SG 3.58Å; C1135-C1204 PolarHBondContact O-N 3.38Å; C1135-C1204 PolarHBondContact O-SG 2.96Å; C1135-I1206 HydrophobicContact CB-CD1 4.18Å; C1135-I1206 HydrophobicContact CB-CG1 3.96Å |
| 1136 | M | 91.6 | Very high | 83.5 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 148.1 | -175.9 | -55.9 | -171.6 | 86.9 | 0 | 0 | 111.1 | I1128 V1130 V1148 V1150 L1197 T1200 R1203 | I1128-M1136 HydrophobicContact CG2-CE 3.61Å; V1130-M1136 HydrophobicContact CB-CE 4.38Å; V1130-M1136 HydrophobicContact CB-SD 4.06Å; V1130-M1136 HydrophobicContact CG2-CE 4.43Å; V1130-M1136 HydrophobicContact CG2-SD 3.51Å; V1130-M1136 VanDerWaalsContact CG2-SD 3.51Å; M1136-V1148 PolarHBondContact N-O 3.08Å; M1136-V1148 PolarHBondContact O-N 2.73Å; M1136-V1150 HydrophobicContact CG-CG2 4.3Å; M1136-V1150 HydrophobicContact SD-CG2 4.21Å; M1136-L1197 HydrophobicContact CE-CD1 3.8Å; M1136-L1197 HydrophobicContact SD-CD1 3.99Å; M1136-T1200 HydrophobicContact CB-CG2 4.31Å; M1136-T1200 HydrophobicContact CE-CG2 3.81Å; M1136-T1200 WeakPolarHBondContact CE-OG1 3.33Å; M1136-T1200 HydrophobicContact SD-CG2 3.83Å; M1136-R1203 HydrophobicContact CE-CG 4.47Å |
| 1137 | Y | 90.7 | Very high | 84.2 | Confident | 17 Ų | 17 | 46.8 Ų | 46.8 | 7% | 0.067 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 118.1 | 167 | -66.1 | -71.5 | 0 | 0 | 0 | 110.1 | Q1145 R1146 L1147 T1200 S1201 G1202 C1204 H1224 H1226 | Y1137-Q1145 HydrophobicContact CD1-CG 3.98Å; Y1137-Q1145 HydrophobicContact CG-CG 4.3Å; Y1137-R1146 CarbonylContact C-O 3.38Å; Y1137-R1146 WeakPolarHBondContact CA-O 3.04Å; Y1137-L1147 HydrophobicContact CD1-CD1 3.81Å; Y1137-L1147 HydrophobicContact CD1-CG 3.79Å; Y1137-L1147 HydrophobicContact CE1-CD1 3.75Å; Y1137-L1147 HydrophobicContact CE1-CD2 4.1Å; Y1137-L1147 HydrophobicContact CE1-CG 3.76Å; Y1137-T1200 CarbonylContact O-C 3.49Å; Y1137-T1200 WeakPolarHBondContact O-CA 3.38Å; Y1137-S1201 WeakPolarHBondContact CB-OG 3.32Å; Y1137-S1201 PolarHBondContact O-N 3.31Å; Y1137-S1201 PolarHBondContact O-OG 2.67Å; Y1137-G1202 PolarHBondContact N-O 2.91Å; Y1137-C1204 HydrophobicContact CD2-CB 4.09Å; Y1137-C1204 HydrophobicContact CE2-CB 3.62Å; Y1137-H1224 HydrophobicContact CE2-CB 4.3Å; Y1137-H1224 AromaticContact CE2-CG 3.91Å; Y1137-H1224 AromaticContact CE2-ND1 3.95Å; Y1137-H1224 PolarHBondContact OH-ND1 3.37Å; Y1137-H1226 AromaticContact CZ-NE2 3.82Å; Y1137-H1226 PolarHBondContact OH-NE2 2.89Å |
| 1138 | V | 88.8 | Confident | 84.8 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 143.4 | 175.6 | -163.7 | 0 | 0 | 0 | 0 | 110.4 | P1140 Q1145 R1146 V1148 Y1195 Q1199 T1200 | V1138-P1140 WeakPolarHBondContact O-CD 3.41Å; V1138-Q1145 WeakPolarHBondContact O-CA 3.29Å; V1138-R1146 PolarHBondContact N-O 3Å; V1138-R1146 PolarHBondContact O-N 2.92Å; V1138-V1148 HydrophobicContact CB-CG2 4.33Å; V1138-V1148 HydrophobicContact CG2-CB 3.95Å; V1138-V1148 HydrophobicContact CG2-CG2 3.57Å; V1138-Y1195 HydrophobicContact CB-CD1 4.5Å; V1138-Y1195 HydrophobicContact CB-CG 4.43Å; V1138-Y1195 HydrophobicContact CG1-CD1 3.63Å; V1138-Y1195 HydrophobicContact CG1-CD2 4.28Å; V1138-Y1195 HydrophobicContact CG1-CE1 4.19Å; V1138-Y1195 HydrophobicContact CG1-CG 3.66Å; V1138-Y1195 HydrophobicContact CG2-CD2 4.23Å; V1138-Y1195 HydrophobicContact CG2-CG 4.39Å; V1138-Q1199 HydrophobicContact CG1-CB 3.95Å; V1138-T1200 HydrophobicContact CG2-CG2 4.33Å |
| 1139 | K | 85.5 | Confident | 85.2 | Confident | 94 Ų | 94 | 43.5 Ų | 43.5 | 41% | 0.409 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 85.5 | 175.3 | -69.1 | 178.9 | 179.3 | 175.9 | 0 | 110.9 | F1141 C1144 Q1145 Q1199 | K1139-F1141 VanDerWaalsContact C-N 3.28Å; K1139-F1141 PolarHBondContact O-N 3.16Å; K1139-C1144 WeakPolarHBondContact CA-O 3.43Å; K1139-Q1145 HydrophobicContact CG-CG 4.41Å; K1139-Q1199 PolarHBondContact N-O 3.01Å |
| 1140 | P | 75.2 | Confident | 85.4 | Confident | 44 Ų | 44 | 40.7 Ų | 40.7 | 29% | 0.286 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | -21 | -179.5 | 27.9 | -35.1 | 0 | 0 | 0 | 114.1 | V1138 R1146 Y1195 | V1138-P1140 WeakPolarHBondContact O-CD 3.41Å; P1140-R1146 HydrophobicContact CG-CG 4.02Å; P1140-Y1195 HydrophobicContact CB-CE1 4.03Å |
| 1141 | F | 76.7 | Confident | 85.4 | Confident | 135 Ų | 135 | 43.7 Ų | 43.7 | 59% | 0.592 | 23% | 0.233 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 160.7 | 173.7 | 45.2 | -86.1 | 0 | 0 | 0 | 110 | K1139 C1144 | K1139-F1141 VanDerWaalsContact C-N 3.28Å; K1139-F1141 PolarHBondContact O-N 3.16Å; F1141-C1144 HydrophobicContact CD1-CB 4.3Å; F1141-C1144 HydrophobicContact CD2-CB 3.35Å; F1141-C1144 HydrophobicContact CE1-CB 4.19Å; F1141-C1144 HydrophobicContact CE2-CB 3.24Å; F1141-C1144 HydrophobicContact CG-CB 3.91Å; F1141-C1144 HydrophobicContact CZ-CB 3.69Å; F1141-C1144 WeakPolarHBondContact CZ-SG 3.36Å; F1141-C1144 PolarHBondContact O-N 3.16Å; F1141-C1144 VanDerWaalsContact O-N 3.1Å |
| 1142 | E | 68.2 | Low | 85.3 | Confident | 199 Ų | 199 | 47.1 Ų | 47.1 | 93% | 0.93 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 142.5 | -178.9 | -65.6 | -162 | 134.7 | 0 | 0 | 112.4 | C1144 | E1142-C1144 PolarHBondContact O-N 3.34Å; E1142-C1144 VanDerWaalsContact O-N 3.09Å |
| 1143 | G | 66.1 | Low | 85.4 | Confident | 99 Ų | 99 | 46.5 Ų | 46.5 | 100% | 1.021 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | -10.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 1144 | C | 66.7 | Low | 85.5 | Confident | 15 Ų | 15 | 46.8 Ų | 46.8 | 10% | 0.101 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 121.6 | -179.2 | -172 | 0 | 0 | 0 | 0 | 111.6 | K1139 F1141 E1142 | K1139-C1144 WeakPolarHBondContact CA-O 3.43Å; F1141-C1144 HydrophobicContact CD1-CB 4.3Å; F1141-C1144 HydrophobicContact CD2-CB 3.35Å; F1141-C1144 HydrophobicContact CE1-CB 4.19Å; F1141-C1144 HydrophobicContact CE2-CB 3.24Å; F1141-C1144 HydrophobicContact CG-CB 3.91Å; F1141-C1144 HydrophobicContact CZ-CB 3.69Å; F1141-C1144 WeakPolarHBondContact CZ-SG 3.36Å; F1141-C1144 PolarHBondContact O-N 3.16Å; F1141-C1144 VanDerWaalsContact O-N 3.1Å; E1142-C1144 PolarHBondContact O-N 3.34Å; E1142-C1144 VanDerWaalsContact O-N 3.09Å |
| 1145 | Q | 81.5 | Confident | 85.4 | Confident | 84 Ų | 84 | 47.7 Ų | 47.7 | 39% | 0.393 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 129 | 171.8 | -161.9 | 176.6 | 40.3 | 0 | 0 | 108.8 | Y1137 V1138 K1139 S1201 | Y1137-Q1145 HydrophobicContact CD1-CG 3.98Å; Y1137-Q1145 HydrophobicContact CG-CG 4.3Å; V1138-Q1145 WeakPolarHBondContact O-CA 3.29Å; K1139-Q1145 HydrophobicContact CG-CG 4.41Å; Q1145-S1201 PolarHBondContact NE2-OG 3.36Å; Q1145-S1201 VanDerWaalsContact NE2-OG 3.1Å |
| 1146 | R | 85.4 | Confident | 85.1 | Confident | 64 Ų | 64 | 48.6 Ų | 48.6 | 24% | 0.242 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 145.6 | 176.5 | -64 | -53.4 | -175.5 | -160.3 | 16.6 | 109.8 | Y1137 V1138 P1140 T1166 E1172 | Y1137-R1146 CarbonylContact C-O 3.38Å; Y1137-R1146 WeakPolarHBondContact CA-O 3.04Å; V1138-R1146 PolarHBondContact N-O 3Å; V1138-R1146 PolarHBondContact O-N 2.92Å; P1140-R1146 HydrophobicContact CG-CG 4.02Å; R1146-T1166 HydrophobicContact CB-CG2 4.43Å; R1146-E1172 IonicContact CZ-OE1 2.66Å; R1146-E1172 VanDerWaalsContact CZ-OE1 3.23Å; R1146-E1172 IonicContact NH1-OE1 2.66Å; R1146-E1172 PolarHBondContact NH1-OE1 2.83Å; R1146-E1172 IonicContact NH1-OE2 3.11Å; R1146-E1172 PolarHBondContact NH1-OE2 2.82Å; R1146-E1172 IonicContact NH2-OE1 2.69Å; R1146-E1172 PolarHBondContact NH2-OE1 3.29Å |
| 1147 | L | 91.6 | Very high | 84.7 | Confident | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 125.4 | 170.4 | -74.6 | 75.9 | 0 | 0 | 0 | 107 | Y1137 M1167 Y1169 I1206 | Y1137-L1147 HydrophobicContact CD1-CD1 3.81Å; Y1137-L1147 HydrophobicContact CD1-CG 3.79Å; Y1137-L1147 HydrophobicContact CE1-CD1 3.75Å; Y1137-L1147 HydrophobicContact CE1-CD2 4.1Å; Y1137-L1147 HydrophobicContact CE1-CG 3.76Å; L1147-M1167 HydrophobicContact CB-CB 4.06Å; L1147-M1167 PolarHBondContact O-N 2.84Å; L1147-Y1169 HydrophobicContact CD1-CE2 3.73Å; L1147-Y1169 WeakPolarHBondContact CD1-OH 3.35Å; L1147-I1206 HydrophobicContact CB-CD1 4.35Å; L1147-I1206 HydrophobicContact CD2-CD1 4.37Å |
| 1148 | V | 91.8 | Very high | 84.1 | Confident | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.012 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 130.4 | -178.7 | -178.3 | 0 | 0 | 0 | 0 | 108.2 | C1135 M1136 V1138 V1165 Y1195 | C1135-V1148 WeakPolarHBondContact CA-O 3.43Å; M1136-V1148 PolarHBondContact N-O 3.08Å; M1136-V1148 PolarHBondContact O-N 2.73Å; V1138-V1148 HydrophobicContact CB-CG2 4.33Å; V1138-V1148 HydrophobicContact CG2-CB 3.95Å; V1138-V1148 HydrophobicContact CG2-CG2 3.57Å; V1148-V1165 WeakPolarHBondContact CA-O 3.47Å; V1148-Y1195 HydrophobicContact CG1-CE2 4.36Å; V1148-Y1195 HydrophobicContact CG2-CD2 4.08Å; V1148-Y1195 HydrophobicContact CG2-CE2 3.51Å |
| 1149 | R | 92.1 | Very high | 84 | Confident | 22 Ų | 22 | 63.7 Ų | 63.7 | 8% | 0.083 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 119 | 169.7 | -176.2 | 168.7 | -164.5 | -119 | 1.8 | 109.3 | G1133 D1134 E1151 G1164 V1165 M1167 K1253 | G1133-R1149 PolarHBondContact O-NE 3.12Å; D1134-R1149 WeakPolarHBondContact O-CA 3.45Å; R1149-E1151 PolarHBondContact O-N 3.04Å; R1149-G1164 CarbonylContact O-C 3.51Å; R1149-G1164 VanDerWaalsContact O-CA 3.25Å; R1149-G1164 WeakPolarHBondContact O-CA 3.35Å; R1149-V1165 PolarHBondContact N-O 2.88Å; R1149-V1165 PolarHBondContact O-N 2.82Å; R1149-M1167 HydrophobicContact CB-CE 4.09Å; R1149-K1253 PolarHBondContact NH1-O 2.98Å; R1149-K1253 PolarHBondContact NH2-O 3.49Å |
| 1150 | V | 92.2 | Very high | 84.3 | Confident | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.006 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 124.6 | -173.5 | -176.9 | 0 | 0 | 0 | 0 | 110.4 | V1130 G1133 D1134 M1136 I1153 V1162 | V1130-V1150 HydrophobicContact CG2-CG1 4.49Å; V1130-V1150 HydrophobicContact CG2-CG2 4.03Å; G1133-V1150 WeakPolarHBondContact CA-O 3.49Å; G1133-V1150 PolarHBondContact N-O 3.47Å; D1134-V1150 PolarHBondContact O-N 2.76Å; M1136-V1150 HydrophobicContact CG-CG2 4.3Å; M1136-V1150 HydrophobicContact SD-CG2 4.21Å; V1150-I1153 HydrophobicContact CG1-CD1 4.13Å; V1150-I1153 HydrophobicContact CG1-CG1 3.56Å; V1150-V1162 HydrophobicContact CG1-CB 4.31Å; V1150-V1162 HydrophobicContact CG1-CG1 4.33Å; V1150-V1162 HydrophobicContact CG2-CB 4.4Å |
| 1151 | E | 91.1 | Very high | 85.1 | Confident | 66 Ų | 66 | 60.8 Ų | 60.8 | 31% | 0.308 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | -16.4 | 174.8 | -63.8 | -169.6 | 128 | 0 | 0 | 112.7 | R1149 S1163 V1165 Q1192 | R1149-E1151 PolarHBondContact O-N 3.04Å; E1151-S1163 PolarHBondContact N-O 3.24Å; E1151-V1165 WeakPolarHBondContact OE2-CG2 3.45Å; E1151-Q1192 PolarHBondContact OE2-NE2 3.5Å |
| 1152 | R | 91.2 | Very high | 85.9 | Confident | 89 Ų | 89 | 54.4 Ų | 54.4 | 34% | 0.336 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 137.8 | 173.7 | -164 | -172.7 | -168.6 | -138.1 | 1.4 | 110.2 | E1119 W1154 V1162 S1163 | E1119-R1152 IonicContact OE1-CZ 3.24Å; E1119-R1152 IonicContact OE1-NE 2.99Å; E1119-R1152 PolarHBondContact OE1-NE 3.37Å; E1119-R1152 IonicContact OE1-NH2 3.48Å; E1119-R1152 PolarHBondContact OE1-NH2 3.28Å; R1152-W1154 HydrophobicContact CB-CE3 4.3Å; R1152-W1154 HydrophobicContact CB-CZ3 4.19Å; R1152-W1154 HydrophobicContact CG-CE3 3.8Å; R1152-W1154 HydrophobicContact CG-CZ3 4.08Å; R1152-V1162 WeakPolarHBondContact O-CA 3.46Å; R1152-S1163 PolarHBondContact N-O 3.38Å; R1152-S1163 PolarHBondContact O-N 3.08Å |
| 1153 | I | 93 | Very high | 87 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 134.5 | 169.2 | -55.1 | 157.9 | 0 | 0 | 0 | 107.3 | E1119 Y1120 A1123 V1130 L1132 V1150 T1160 W1161 V1162 | E1119-I1153 WeakPolarHBondContact CA-O 3.07Å; Y1120-I1153 PolarHBondContact N-O 3.02Å; A1123-I1153 HydrophobicContact CB-CG2 3.95Å; V1130-I1153 HydrophobicContact CG1-CD1 4.1Å; V1130-I1153 HydrophobicContact CG1-CG1 4.47Å; V1130-I1153 HydrophobicContact CG2-CD1 4.25Å; L1132-I1153 HydrophobicContact CD2-CB 4.35Å; L1132-I1153 HydrophobicContact CD2-CD1 3.9Å; L1132-I1153 HydrophobicContact CD2-CG1 3.86Å; L1132-I1153 HydrophobicContact CG-CD1 4.16Å; V1150-I1153 HydrophobicContact CG1-CD1 4.13Å; V1150-I1153 HydrophobicContact CG1-CG1 3.56Å; I1153-T1160 HydrophobicContact CG2-CG2 3.96Å; I1153-W1161 WeakPolarHBondContact CA-O 3.43Å; I1153-V1162 HydrophobicContact CG1-CG1 4.25Å |
| 1154 | W | 91.8 | Very high | 88.1 | Confident | 16 Ų | 16 | 41 Ų | 41 | 6% | 0.061 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 161 | 173.2 | 69.3 | 109.1 | 0 | 0 | 0 | 111.4 | T1118 E1119 R1152 W1161 I1194 | T1118-W1154 CarbonylContact O-C 3.46Å; T1118-W1154 WeakPolarHBondContact O-CA 3.4Å; T1118-W1154 VanDerWaalsContact O-CB 3.27Å; T1118-W1154 WeakPolarHBondContact O-CB 3.43Å; E1119-W1154 HydrophobicContact CG-CB 4.36Å; R1152-W1154 HydrophobicContact CB-CE3 4.3Å; R1152-W1154 HydrophobicContact CB-CZ3 4.19Å; R1152-W1154 HydrophobicContact CG-CE3 3.8Å; R1152-W1154 HydrophobicContact CG-CZ3 4.08Å; W1154-W1161 HydrophobicContact CD2-CB 3.74Å; W1154-W1161 HydrophobicContact CE3-CB 4.03Å; W1154-W1161 HydrophobicContact CG-CB 4.37Å; W1154-W1161 HydrophobicContact CH2-CB 3.93Å; W1154-W1161 HydrophobicContact CZ2-CB 3.63Å; W1154-W1161 HydrophobicContact CZ2-CG 4.26Å; W1154-W1161 HydrophobicContact CZ3-CB 4.11Å; W1154-W1161 PolarHBondContact N-O 2.79Å; W1154-W1161 VanDerWaalsContact N-O 3.11Å; W1154-W1161 PolarHBondContact O-N 3.04Å; W1154-I1194 HydrophobicContact CH2-CB 4.43Å; W1154-I1194 HydrophobicContact CH2-CD1 4.11Å; W1154-I1194 HydrophobicContact CH2-CG1 4.05Å; W1154-I1194 HydrophobicContact CH2-CG2 3.67Å; W1154-I1194 HydrophobicContact CZ2-CD1 4.33Å; W1154-I1194 HydrophobicContact CZ2-CG2 3.96Å |
| 1155 | K | 90.6 | Very high | 89.2 | Confident | 44 Ų | 44 | 40.8 Ų | 40.8 | 19% | 0.191 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 133.4 | 168.8 | -64.8 | -170.9 | -176.7 | -170 | 0 | 110 | E1106 T1118 Y1120 E1159 T1160 | E1106-K1155 WeakPolarHBondContact OE1-CE 3.46Å; E1106-K1155 IonicContact OE1-NZ 2.78Å; E1106-K1155 PolarHBondContact OE1-NZ 3.34Å; E1106-K1155 IonicContact OE2-NZ 3.59Å; E1106-K1155 PolarHBondContact OE2-NZ 3.27Å; T1118-K1155 PolarHBondContact N-O 3.26Å; T1118-K1155 PolarHBondContact O-N 3.3Å; Y1120-K1155 HydrophobicContact CD2-CG 4.09Å; Y1120-K1155 HydrophobicContact CE2-CB 3.83Å; Y1120-K1155 HydrophobicContact CE2-CD 3.85Å; Y1120-K1155 HydrophobicContact CE2-CG 3.55Å; K1155-E1159 VanDerWaalsContact CA-O 3.3Å; K1155-E1159 WeakPolarHBondContact CA-O 3.5Å; K1155-T1160 VanDerWaalsContact CE-OG1 3.27Å; K1155-T1160 WeakPolarHBondContact CE-OG1 3.19Å; K1155-T1160 HydrophobicContact CG-CG2 4.22Å |
| 1156 | S | 85.8 | Confident | 89.7 | Confident | 26 Ų | 26 | 37.3 Ų | 37.3 | 18% | 0.182 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 126.8 | -177.8 | -155.6 | 0 | 0 | 0 | 0 | 108.2 | D1117 G1158 E1159 | D1117-S1156 WeakPolarHBondContact OD1-CB 3.29Å; D1117-S1156 PolarHBondContact OD1-OG 3.11Å; S1156-G1158 PolarHBondContact O-N 2.9Å; S1156-G1158 VanDerWaalsContact O-N 3.1Å; S1156-E1159 PolarHBondContact N-O 2.91Å; S1156-E1159 PolarHBondContact O-N 3.14Å |
| 1157 | N | 82.3 | Confident | 90 | Very high | 165 Ų | 165 | 34.3 Ų | 34.3 | 88% | 0.882 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 31.7 | -174 | -60.8 | -47.5 | 0 | 0 | 0 | 114.8 | E1159 | N1157-E1159 VanDerWaalsContact C-N 3.26Å; N1157-E1159 PolarHBondContact O-N 3.46Å |
| 1158 | G | 78.4 | Confident | 89.9 | Confident | 72 Ų | 72 | 34.6 Ų | 34.6 | 74% | 0.742 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.4 | -18.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | S1156 | S1156-G1158 PolarHBondContact O-N 2.9Å; S1156-G1158 VanDerWaalsContact O-N 3.1Å |
| 1159 | E | 87 | Confident | 89.9 | Confident | 97 Ų | 97 | 38.1 Ų | 38.1 | 45% | 0.453 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 145.5 | 172.7 | -67.8 | -158.8 | 124.3 | 0 | 0 | 111.5 | K1155 S1156 N1157 W1161 | K1155-E1159 VanDerWaalsContact CA-O 3.3Å; K1155-E1159 WeakPolarHBondContact CA-O 3.5Å; S1156-E1159 PolarHBondContact N-O 2.91Å; S1156-E1159 PolarHBondContact O-N 3.14Å; N1157-E1159 VanDerWaalsContact C-N 3.26Å; N1157-E1159 PolarHBondContact O-N 3.46Å; E1159-W1161 VanDerWaalsContact OE2-CZ2 3.31Å; E1159-W1161 WeakPolarHBondContact OE2-CZ2 3.25Å |
| 1160 | T | 91.3 | Very high | 89.7 | Confident | 9 Ų | 9 | 37.8 Ų | 37.8 | 6% | 0.055 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 125.8 | 175.1 | -50.8 | 0 | 0 | 0 | 0 | 109.9 | A1123 I1153 K1155 L1197 | A1123-T1160 HydrophobicContact CB-CG2 4.25Å; I1153-T1160 HydrophobicContact CG2-CG2 3.96Å; K1155-T1160 VanDerWaalsContact CE-OG1 3.27Å; K1155-T1160 WeakPolarHBondContact CE-OG1 3.19Å; K1155-T1160 HydrophobicContact CG-CG2 4.22Å; T1160-L1197 HydrophobicContact CG2-CB 4.29Å; T1160-L1197 HydrophobicContact CG2-CD2 3.67Å; T1160-L1197 VanDerWaalsContact O-CB 3.29Å; T1160-L1197 WeakPolarHBondContact O-CB 3.09Å; T1160-L1197 PolarHBondContact O-N 3Å |
| 1161 | W | 92.6 | Very high | 89.4 | Confident | 68 Ų | 68 | 40.3 Ų | 40.3 | 26% | 0.258 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 144.7 | -174.8 | -64.8 | 87.3 | 0 | 0 | 0 | 111.1 | I1153 W1154 E1159 I1194 P1196 | I1153-W1161 WeakPolarHBondContact CA-O 3.43Å; W1154-W1161 HydrophobicContact CD2-CB 3.74Å; W1154-W1161 HydrophobicContact CE3-CB 4.03Å; W1154-W1161 HydrophobicContact CG-CB 4.37Å; W1154-W1161 HydrophobicContact CH2-CB 3.93Å; W1154-W1161 HydrophobicContact CZ2-CB 3.63Å; W1154-W1161 HydrophobicContact CZ2-CG 4.26Å; W1154-W1161 HydrophobicContact CZ3-CB 4.11Å; W1154-W1161 PolarHBondContact N-O 2.79Å; W1154-W1161 VanDerWaalsContact N-O 3.11Å; W1154-W1161 PolarHBondContact O-N 3.04Å; E1159-W1161 VanDerWaalsContact OE2-CZ2 3.31Å; E1159-W1161 WeakPolarHBondContact OE2-CZ2 3.25Å; W1161-I1194 HydrophobicContact CE3-CG2 3.7Å; W1161-I1194 HydrophobicContact CZ3-CG2 4.25Å; W1161-P1196 HydrophobicContact CD2-CB 4.41Å; W1161-P1196 HydrophobicContact CE3-CB 4.01Å; W1161-P1196 HydrophobicContact CH2-CB 4.17Å; W1161-P1196 HydrophobicContact CZ3-CB 3.91Å; W1161-P1196 HydrophobicContact CZ3-CG 4.18Å |
| 1162 | V | 92.8 | Very high | 89.1 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 144 | 175.7 | -62.4 | 0 | 0 | 0 | 0 | 110.9 | V1130 V1150 R1152 I1153 Y1195 L1197 | V1130-V1162 HydrophobicContact CG1-CG1 4.44Å; V1150-V1162 HydrophobicContact CG1-CB 4.31Å; V1150-V1162 HydrophobicContact CG1-CG1 4.33Å; V1150-V1162 HydrophobicContact CG2-CB 4.4Å; R1152-V1162 WeakPolarHBondContact O-CA 3.46Å; I1153-V1162 HydrophobicContact CG1-CG1 4.25Å; V1162-Y1195 WeakPolarHBondContact CG2-O 3.3Å; V1162-Y1195 PolarHBondContact N-O 3.08Å; V1162-Y1195 PolarHBondContact O-N 2.86Å; V1162-Y1195 VanDerWaalsContact O-O 3.12Å; V1162-L1197 HydrophobicContact CG1-CD1 4.22Å |
| 1163 | S | 91.6 | Very high | 88.9 | Confident | 16 Ų | 16 | 36.4 Ų | 36.4 | 11% | 0.112 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 152.5 | 174 | -176.4 | 0 | 0 | 0 | 0 | 110.6 | E1151 R1152 | E1151-S1163 PolarHBondContact N-O 3.24Å; R1152-S1163 PolarHBondContact N-O 3.38Å; R1152-S1163 PolarHBondContact O-N 3.08Å |
| 1164 | G | 89.9 | Confident | 88.4 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 159.8 | -160.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R1149 T1166 Q1192 | R1149-G1164 CarbonylContact O-C 3.51Å; R1149-G1164 VanDerWaalsContact O-CA 3.25Å; R1149-G1164 WeakPolarHBondContact O-CA 3.35Å; G1164-T1166 PolarHBondContact O-N 2.96Å; G1164-Q1192 WeakPolarHBondContact O-CA 3.22Å |
| 1165 | V | 90.2 | Very high | 87.7 | Confident | 12 Ų | 12 | 40.4 Ų | 40.4 | 7% | 0.073 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 116.4 | -168.3 | 179.4 | 0 | 0 | 0 | 0 | 111.7 | V1148 R1149 E1151 M1167 A1188 F1250 | V1148-V1165 WeakPolarHBondContact CA-O 3.47Å; R1149-V1165 PolarHBondContact N-O 2.88Å; R1149-V1165 PolarHBondContact O-N 2.82Å; E1151-V1165 WeakPolarHBondContact OE2-CG2 3.45Å; V1165-M1167 HydrophobicContact CB-CE 4.37Å; V1165-M1167 HydrophobicContact CG1-CE 3.92Å; V1165-A1188 HydrophobicContact CG1-CB 3.83Å; V1165-F1250 HydrophobicContact CG1-CE2 4.39Å; V1165-F1250 HydrophobicContact CG1-CZ 4.25Å; V1165-F1250 HydrophobicContact CG2-CZ 4.44Å |
| 1166 | T | 90.9 | Very high | 86.9 | Confident | 10 Ų | 10 | 42.4 Ų | 42.4 | 6% | 0.061 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 138.8 | 169.8 | -52.4 | 0 | 0 | 0 | 0 | 110.6 | R1146 G1164 T1189 I1191 | R1146-T1166 HydrophobicContact CB-CG2 4.43Å; G1164-T1166 PolarHBondContact O-N 2.96Å; T1166-T1189 WeakPolarHBondContact O-CB 3.38Å; T1166-T1189 PolarHBondContact O-N 2.88Å; T1166-T1189 PolarHBondContact O-OG1 3.36Å; T1166-I1191 WeakPolarHBondContact CB-O 3.48Å; T1166-I1191 PolarHBondContact N-O 2.87Å; T1166-I1191 PolarHBondContact OG1-O 3.44Å; T1166-I1191 VanDerWaalsContact OG1-O 3.05Å |
| 1167 | M | 91.7 | Very high | 86.5 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 141.5 | -176.8 | -55.7 | -101 | -177.5 | 0 | 0 | 110.6 | L1147 R1149 V1165 V1186 F1187 A1188 I1206 F1250 L1252 | L1147-M1167 HydrophobicContact CB-CB 4.06Å; L1147-M1167 PolarHBondContact O-N 2.84Å; R1149-M1167 HydrophobicContact CB-CE 4.09Å; V1165-M1167 HydrophobicContact CB-CE 4.37Å; V1165-M1167 HydrophobicContact CG1-CE 3.92Å; M1167-V1186 HydrophobicContact CB-CB 4.48Å; M1167-V1186 HydrophobicContact CB-CG2 4.38Å; M1167-V1186 HydrophobicContact SD-CG2 4.33Å; M1167-F1187 CarbonylContact C-O 3.59Å; M1167-F1187 VanDerWaalsContact CA-O 3.3Å; M1167-F1187 WeakPolarHBondContact CA-O 3.37Å; M1167-A1188 HydrophobicContact CE-CB 4.18Å; M1167-A1188 HydrophobicContact SD-CB 3.82Å; M1167-I1206 HydrophobicContact CB-CD1 4.26Å; M1167-I1206 HydrophobicContact CE-CD1 4Å; M1167-I1206 HydrophobicContact CE-CG2 4.46Å; M1167-I1206 HydrophobicContact CG-CD1 3.62Å; M1167-I1206 HydrophobicContact SD-CD1 3.94Å; M1167-I1206 HydrophobicContact SD-CG2 4.42Å; M1167-F1250 HydrophobicContact CE-CE1 3.92Å; M1167-F1250 HydrophobicContact CE-CZ 4.19Å; M1167-L1252 HydrophobicContact CE-CD2 4.4Å |
| 1168 | V | 90.6 | Very high | 86 | Confident | 7 Ų | 7 | 34 Ų | 34 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 154.9 | -175.1 | -63.8 | 0 | 0 | 0 | 0 | 112.7 | E1172 V1173 V1186 F1187 T1189 V1232 L1240 | V1168-E1172 HydrophobicContact CB-CB 4.29Å; V1168-V1173 HydrophobicContact CG2-CG2 3.9Å; V1168-V1186 WeakPolarHBondContact O-CA 3.27Å; V1168-F1187 HydrophobicContact CG2-CB 4.13Å; V1168-F1187 PolarHBondContact N-O 3.48Å; V1168-F1187 PolarHBondContact O-N 3.3Å; V1168-T1189 HydrophobicContact CG1-CG2 3.8Å; V1168-T1189 HydrophobicContact CG2-CG2 4.01Å; V1168-V1232 HydrophobicContact CG2-CG2 3.89Å; V1168-L1240 HydrophobicContact CB-CD1 4.39Å; V1168-L1240 HydrophobicContact CG1-CD1 3.95Å; V1168-L1240 HydrophobicContact CG2-CD1 3.9Å |
| 1169 | Y | 90.4 | Very high | 85.8 | Confident | 77 Ų | 77 | 32.6 Ų | 32.6 | 30% | 0.302 | 17% | 0.17 | S | C | . | . | trans | -86 | 157.9 | 179.5 | -75 | -72.9 | 0 | 0 | 0 | 112.8 | L1147 A1171 E1172 V1186 H1226 | L1147-Y1169 HydrophobicContact CD1-CE2 3.73Å; L1147-Y1169 WeakPolarHBondContact CD1-OH 3.35Å; Y1169-A1171 PolarHBondContact O-N 3.13Å; Y1169-E1172 PolarHBondContact N-OE2 3.42Å; Y1169-E1172 WeakPolarHBondContact O-CB 3.43Å; Y1169-E1172 PolarHBondContact O-N 3.2Å; Y1169-V1186 HydrophobicContact CD1-CG1 3.75Å; Y1169-V1186 HydrophobicContact CE1-CG1 3.44Å; Y1169-V1186 VanDerWaalsContact CE1-CG1 3.44Å; Y1169-H1226 PolarHBondContact OH-CE1 3.35Å; Y1169-H1226 PolarHBondContact OH-ND1 2.87Å | ||
| 1170 | P | 88 | Confident | 85.4 | Confident | 15 Ų | 15 | 30.1 Ų | 30.1 | 10% | 0.097 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -53.1 | -29 | 177.7 | -26.3 | 31.5 | 0 | 0 | 0 | 114.3 | E1172 V1173 H1175 F1181 E1185 F1187 | P1170-E1172 PolarHBondContact O-N 3.13Å; P1170-V1173 PolarHBondContact O-N 3.25Å; P1170-H1175 PolarHBondContact O-CE1 3.45Å; P1170-H1175 PolarHBondContact O-ND1 2.85Å; P1170-F1181 HydrophobicContact CB-CD1 3.82Å; P1170-F1181 HydrophobicContact CB-CD2 4.11Å; P1170-F1181 HydrophobicContact CB-CE1 3.96Å; P1170-F1181 HydrophobicContact CB-CE2 4.26Å; P1170-F1181 HydrophobicContact CB-CG 3.88Å; P1170-F1181 HydrophobicContact CB-CZ 4.19Å; P1170-F1181 HydrophobicContact CG-CB 4.14Å; P1170-F1181 HydrophobicContact CG-CD1 3.81Å; P1170-F1181 HydrophobicContact CG-CE1 4.39Å; P1170-F1181 HydrophobicContact CG-CG 3.91Å; P1170-E1185 WeakPolarHBondContact CD-O 3.19Å; P1170-F1187 HydrophobicContact CB-CE2 4.33Å; P1170-F1187 HydrophobicContact CG-CE2 4.04Å |
| 1171 | A | 85.7 | Confident | 85.1 | Confident | 54 Ų | 54 | 30.5 Ų | 30.5 | 45% | 0.446 | 16% | 0.16 | S | C | . | . | G | 310 helix | trans | -68.8 | -15.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y1169 P1282 | Y1169-A1171 PolarHBondContact O-N 3.13Å; A1171-P1282 HydrophobicContact CB-CG 4.47Å |
| 1172 | E | 86.6 | Confident | 84.7 | Confident | 71 Ų | 71 | 30.1 Ų | 30.1 | 33% | 0.332 | 16% | 0.159 | S | C | . | . | G | 310 helix | trans | -99.4 | 0.3 | 179.9 | -56.2 | -179 | 92.2 | 0 | 0 | 112.8 | R1146 V1168 Y1169 P1170 | R1146-E1172 IonicContact CZ-OE1 2.66Å; R1146-E1172 VanDerWaalsContact CZ-OE1 3.23Å; R1146-E1172 IonicContact NH1-OE1 2.66Å; R1146-E1172 PolarHBondContact NH1-OE1 2.83Å; R1146-E1172 IonicContact NH1-OE2 3.11Å; R1146-E1172 PolarHBondContact NH1-OE2 2.82Å; R1146-E1172 IonicContact NH2-OE1 2.69Å; R1146-E1172 PolarHBondContact NH2-OE1 3.29Å; V1168-E1172 HydrophobicContact CB-CB 4.29Å; Y1169-E1172 PolarHBondContact N-OE2 3.42Å; Y1169-E1172 WeakPolarHBondContact O-CB 3.43Å; Y1169-E1172 PolarHBondContact O-N 3.2Å; P1170-E1172 PolarHBondContact O-N 3.13Å |
| 1173 | V | 86.6 | Confident | 84.1 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 131.6 | -173.4 | -177.4 | 0 | 0 | 0 | 0 | 109.3 | V1168 P1170 H1175 F1187 V1232 V1242 | V1168-V1173 HydrophobicContact CG2-CG2 3.9Å; P1170-V1173 PolarHBondContact O-N 3.25Å; V1173-H1175 PolarHBondContact O-N 2.92Å; V1173-H1175 PolarHBondContact O-ND1 3.02Å; V1173-F1187 HydrophobicContact CG2-CD2 4.07Å; V1173-V1232 HydrophobicContact CB-CG1 4.36Å; V1173-V1232 HydrophobicContact CG1-CG1 3.55Å; V1173-V1232 HydrophobicContact CG2-CG1 3.81Å; V1173-V1242 HydrophobicContact CG1-CG2 3.7Å |
| 1174 | D | 82.7 | Confident | 83.9 | Confident | 78 Ų | 78 | 37 Ų | 37 | 42% | 0.417 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 126.1 | 177.9 | -150.6 | -16.2 | 0 | 0 | 0 | 110.8 | K1239 L1240 | D1174-K1239 HydrophobicContact CB-CD 4.42Å; D1174-K1239 VanDerWaalsContact OD2-CD 3.25Å; D1174-K1239 WeakPolarHBondContact OD2-CD 3.39Å; D1174-K1239 WeakPolarHBondContact OD2-CE 3.32Å; D1174-K1239 IonicContact OD2-NZ 2.76Å; D1174-K1239 PolarHBondContact OD2-NZ 3.13Å; D1174-L1240 PolarHBondContact N-O 2.96Å |
| 1175 | H | 77.2 | Confident | 84 | Confident | 23 Ų | 23 | 37.3 Ų | 37.3 | 11% | 0.106 | 19% | 0.194 | C | C | . | . | trans | -162 | 155.7 | -173.2 | 66.2 | -94.7 | 0 | 0 | 0 | 112.9 | P1170 V1173 F1181 S1281 F1283 | P1170-H1175 PolarHBondContact O-CE1 3.45Å; P1170-H1175 PolarHBondContact O-ND1 2.85Å; V1173-H1175 PolarHBondContact O-N 2.92Å; V1173-H1175 PolarHBondContact O-ND1 3.02Å; H1175-F1181 HydrophobicContact CB-CZ 4.37Å; H1175-F1181 AromaticContact CD2-CE2 3.57Å; H1175-F1181 AromaticContact CD2-CZ 3.51Å; H1175-F1181 AromaticContact CE1-CE2 3.84Å; H1175-F1181 AromaticContact CE1-CZ 3.77Å; H1175-F1181 AromaticContact CG-CZ 3.68Å; H1175-F1181 AromaticContact ND1-CZ 3.83Å; H1175-F1181 AromaticContact NE2-CE2 3.3Å; H1175-F1181 VanDerWaalsContact NE2-CE2 3.3Å; H1175-F1181 WeakPolarHBondContact NE2-CE2 3.27Å; H1175-F1181 AromaticContact NE2-CZ 3.57Å; H1175-S1281 PolarHBondContact CD2-OG 2.91Å; H1175-S1281 WeakPolarHBondContact NE2-CB 3.24Å; H1175-S1281 PolarHBondContact NE2-OG 3.45Å; H1175-F1283 AromaticContact CD2-CD2 3.97Å; H1175-F1283 AromaticContact CE1-CD2 3.42Å; H1175-F1283 VanDerWaalsContact CE1-CD2 3.42Å; H1175-F1283 WeakPolarHBondContact CE1-CD2 3.4Å; H1175-F1283 AromaticContact CE1-CE2 3.2Å; H1175-F1283 WeakPolarHBondContact CE1-CE2 3.48Å; H1175-F1283 AromaticContact ND1-CD2 3.93Å; H1175-F1283 AromaticContact ND1-CE2 3.47Å; H1175-F1283 WeakPolarHBondContact ND1-CE2 3.3Å; H1175-F1283 AromaticContact NE2-CD2 3.45Å; H1175-F1283 WeakPolarHBondContact NE2-CD2 3.24Å; H1175-F1283 AromaticContact NE2-CE2 3.76Å | ||
| 1176 | E | 73.8 | Confident | 84.2 | Confident | 85 Ų | 85 | 36.8 Ų | 36.8 | 40% | 0.397 | 19% | 0.191 | S | C | . | . | trans | -61.4 | 134.2 | 177.5 | -71 | -63.3 | 139.3 | 0 | 0 | 112.2 | Y746 T1178 C1179 | Y746-E1176 WeakPolarHBondContact CE2-OE2 3.41Å; Y746-E1176 PolarHBondContact OH-OE2 3.47Å; E1176-T1178 PolarHBondContact O-N 3.07Å; E1176-C1179 VanDerWaalsContact O-CB 3.25Å; E1176-C1179 WeakPolarHBondContact O-CB 3.41Å; E1176-C1179 PolarHBondContact O-N 3.33Å; E1176-C1179 PolarHBondContact O-SG 3.38Å; E1176-C1179 VanDerWaalsContact O-SG 3.39Å | ||
| 1177 | P | 76.4 | Confident | 84.2 | Confident | 12 Ų | 12 | 36.4 Ų | 36.4 | 8% | 0.078 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -18.9 | 177.3 | -25.9 | 34.8 | 0 | 0 | 0 | 114.7 | Y746 C1179 S1281 L1284 | Y746-P1177 WeakPolarHBondContact OH-CD 3.38Å; P1177-C1179 VanDerWaalsContact C-N 3.28Å; P1177-C1179 PolarHBondContact O-N 2.83Å; P1177-S1281 WeakPolarHBondContact O-CB 3.47Å; P1177-L1284 HydrophobicContact CB-CD1 4.46Å; P1177-L1284 WeakPolarHBondContact O-CB 3.33Å |
| 1178 | T | 72.3 | Confident | 84.3 | Confident | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.018 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -7.4 | 177 | 64.5 | 0 | 0 | 0 | 0 | 114.3 | N733 C736 V750 Q753 E1176 | N733-T1178 PolarHBondContact ND2-O 3.31Å; N733-T1178 VanDerWaalsContact OD1-CB 3.3Å; N733-T1178 WeakPolarHBondContact OD1-CB 3.5Å; N733-T1178 PolarHBondContact OD1-O 2.92Å; N733-T1178 PolarHBondContact OD1-OG1 3.25Å; C736-T1178 HydrophobicContact CB-CG2 3.82Å; C736-T1178 WeakPolarHBondContact SG-CG2 3.44Å; V750-T1178 HydrophobicContact CG2-CG2 4.05Å; Q753-T1178 PolarHBondContact NE2-O 2.92Å; E1176-T1178 PolarHBondContact O-N 3.07Å |
| 1179 | C | 74.6 | Confident | 84.2 | Confident | 43 Ų | 43 | 36.4 Ų | 36.4 | 29% | 0.291 | 19% | 0.189 | S | C | . | . | trans | -66.1 | 158.1 | -179.9 | -73.5 | 0 | 0 | 0 | 0 | 113.5 | E1176 P1177 F1181 S1281 | E1176-C1179 VanDerWaalsContact O-CB 3.25Å; E1176-C1179 WeakPolarHBondContact O-CB 3.41Å; E1176-C1179 PolarHBondContact O-N 3.33Å; E1176-C1179 PolarHBondContact O-SG 3.38Å; E1176-C1179 VanDerWaalsContact O-SG 3.39Å; P1177-C1179 VanDerWaalsContact C-N 3.28Å; P1177-C1179 PolarHBondContact O-N 2.83Å; C1179-F1181 HydrophobicContact CB-CE2 3.71Å; C1179-F1181 HydrophobicContact CB-CZ 3.86Å; C1179-S1281 PolarHBondContact O-N 3.36Å | ||
| 1180 | L | 77.7 | Confident | 83.7 | Confident | 44 Ų | 44 | 37 Ų | 37 | 23% | 0.23 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 122.5 | -173.8 | -72.6 | 165.4 | 0 | 0 | 0 | 109.6 | F757 K1278 E1279 P1280 | F757-L1180 HydrophobicContact CE1-CD2 4.03Å; F757-L1180 HydrophobicContact CE2-CD2 3.75Å; F757-L1180 HydrophobicContact CZ-CD1 4.03Å; F757-L1180 HydrophobicContact CZ-CD2 3.34Å; F757-L1180 HydrophobicContact CZ-CG 4.19Å; L1180-K1278 HydrophobicContact CB-CB 3.93Å; L1180-K1278 HydrophobicContact CB-CD 3.97Å; L1180-K1278 WeakPolarHBondContact O-CD 3.49Å; L1180-K1278 WeakPolarHBondContact O-CE 3.21Å; L1180-K1278 PolarHBondContact O-NZ 2.8Å; L1180-E1279 WeakPolarHBondContact CA-O 3.22Å; L1180-P1280 HydrophobicContact CD2-CB 4.49Å |
| 1181 | F | 84.3 | Confident | 83 | Confident | 18 Ų | 18 | 40.4 Ų | 40.4 | 8% | 0.079 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 147.2 | -175.5 | -59.5 | -85.2 | 0 | 0 | 0 | 110 | P1170 H1175 C1179 E1185 F1187 K1278 E1279 | P1170-F1181 HydrophobicContact CB-CD1 3.82Å; P1170-F1181 HydrophobicContact CB-CD2 4.11Å; P1170-F1181 HydrophobicContact CB-CE1 3.96Å; P1170-F1181 HydrophobicContact CB-CE2 4.26Å; P1170-F1181 HydrophobicContact CB-CG 3.88Å; P1170-F1181 HydrophobicContact CB-CZ 4.19Å; P1170-F1181 HydrophobicContact CG-CB 4.14Å; P1170-F1181 HydrophobicContact CG-CD1 3.81Å; P1170-F1181 HydrophobicContact CG-CE1 4.39Å; P1170-F1181 HydrophobicContact CG-CG 3.91Å; H1175-F1181 HydrophobicContact CB-CZ 4.37Å; H1175-F1181 AromaticContact CD2-CE2 3.57Å; H1175-F1181 AromaticContact CD2-CZ 3.51Å; H1175-F1181 AromaticContact CE1-CE2 3.84Å; H1175-F1181 AromaticContact CE1-CZ 3.77Å; H1175-F1181 AromaticContact CG-CZ 3.68Å; H1175-F1181 AromaticContact ND1-CZ 3.83Å; H1175-F1181 AromaticContact NE2-CE2 3.3Å; H1175-F1181 VanDerWaalsContact NE2-CE2 3.3Å; H1175-F1181 WeakPolarHBondContact NE2-CE2 3.27Å; H1175-F1181 AromaticContact NE2-CZ 3.57Å; C1179-F1181 HydrophobicContact CB-CE2 3.71Å; C1179-F1181 HydrophobicContact CB-CZ 3.86Å; F1181-E1185 WeakPolarHBondContact CA-OE2 3.28Å; F1181-E1185 HydrophobicContact CB-CB 4.39Å; F1181-F1187 AromaticContact CD1-CE2 3.95Å; F1181-F1187 HydrophobicContact CD1-CE2 3.95Å; F1181-F1187 AromaticContact CD1-CZ 3.82Å; F1181-F1187 HydrophobicContact CD1-CZ 3.82Å; F1181-F1187 AromaticContact CE1-CE2 3.83Å; F1181-F1187 HydrophobicContact CE1-CE2 3.83Å; F1181-F1187 AromaticContact CE1-CZ 3.66Å; F1181-F1187 HydrophobicContact CE1-CZ 3.66Å; F1181-K1278 CarbonylContact O-C 3.55Å; F1181-K1278 WeakPolarHBondContact O-CA 3.46Å; F1181-K1278 WeakPolarHBondContact O-CB 3.4Å; F1181-E1279 PolarHBondContact N-O 2.85Å; F1181-E1279 PolarHBondContact O-N 3.39Å |
| 1182 | Y | 85.4 | Confident | 82.8 | Confident | 59 Ų | 59 | 43.5 Ų | 43.5 | 23% | 0.231 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 152.2 | 171 | -59.7 | -67.5 | 0 | 0 | 0 | 109.3 | S1184 E1185 V1209 L1276 E1277 K1278 | Y1182-S1184 PolarHBondContact O-N 3.35Å; Y1182-E1185 HydrophobicContact CD2-CG 4.35Å; Y1182-E1185 WeakPolarHBondContact CD2-OE2 3.48Å; Y1182-E1185 PolarHBondContact N-OE2 2.9Å; Y1182-E1185 VanDerWaalsContact O-CB 3.27Å; Y1182-E1185 WeakPolarHBondContact O-CB 3.38Å; Y1182-E1185 PolarHBondContact O-N 3.48Å; Y1182-V1209 HydrophobicContact CD2-CG2 4.25Å; Y1182-V1209 HydrophobicContact CE2-CG2 3.79Å; Y1182-L1276 HydrophobicContact CD1-CB 3.77Å; Y1182-L1276 HydrophobicContact CD1-CD1 4.33Å; Y1182-L1276 HydrophobicContact CD1-CD2 4.13Å; Y1182-L1276 HydrophobicContact CD1-CG 4.31Å; Y1182-L1276 HydrophobicContact CE1-CB 3.81Å; Y1182-L1276 HydrophobicContact CG-CD1 4.4Å; Y1182-L1276 HydrophobicContact CG-CD2 4.32Å; Y1182-E1277 WeakPolarHBondContact CA-O 3.24Å; Y1182-K1278 HydrophobicContact CD1-CD 4.2Å; Y1182-K1278 HydrophobicContact CD1-CG 3.42Å; Y1182-K1278 VanDerWaalsContact CD1-CG 3.42Å; Y1182-K1278 HydrophobicContact CE1-CD 4.03Å; Y1182-K1278 HydrophobicContact CE1-CG 3.63Å; Y1182-K1278 HydrophobicContact CG-CG 4.08Å; Y1182-K1278 VanDerWaalsContact CZ-CE 3.43Å |
| 1183 | K | 80.6 | Confident | 82.4 | Confident | 118 Ų | 118 | 42.2 Ų | 42.2 | 51% | 0.513 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 130.9 | 168.8 | -169.3 | 173.2 | -172.1 | 169 | 0 | 109 | E1185 E1279 | K1183-E1185 PolarHBondContact O-N 3.16Å; K1183-E1279 WeakPolarHBondContact CD-OE1 3.36Å |
| 1184 | S | 87.2 | Confident | 82.5 | Confident | 44 Ų | 44 | 46.8 Ų | 46.8 | 31% | 0.308 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 28.4 | -171.4 | -48.4 | 0 | 0 | 0 | 0 | 114.9 | Y1182 V1186 H1226 V1227 | Y1182-S1184 PolarHBondContact O-N 3.35Å; S1184-V1186 PolarHBondContact O-N 3.16Å; S1184-H1226 WeakPolarHBondContact O-CA 3.45Å; S1184-V1227 PolarHBondContact O-N 3.37Å |
| 1185 | E | 91.7 | Very high | 82.9 | Confident | 7 Ų | 7 | 44 Ų | 44 | 3% | 0.033 | 22% | 0.223 | C | C | . | . | B | Isolated β-bridge | trans | -66.6 | 129.5 | 168.6 | -164 | 164.4 | -172.2 | 0 | 0 | 109.9 | P1170 F1181 Y1182 K1183 F1187 V1227 K1278 | P1170-E1185 WeakPolarHBondContact CD-O 3.19Å; F1181-E1185 WeakPolarHBondContact CA-OE2 3.28Å; F1181-E1185 HydrophobicContact CB-CB 4.39Å; Y1182-E1185 HydrophobicContact CD2-CG 4.35Å; Y1182-E1185 WeakPolarHBondContact CD2-OE2 3.48Å; Y1182-E1185 PolarHBondContact N-OE2 2.9Å; Y1182-E1185 VanDerWaalsContact O-CB 3.27Å; Y1182-E1185 WeakPolarHBondContact O-CB 3.38Å; Y1182-E1185 PolarHBondContact O-N 3.48Å; K1183-E1185 PolarHBondContact O-N 3.16Å; E1185-F1187 HydrophobicContact CG-CZ 4.4Å; E1185-V1227 WeakPolarHBondContact CA-O 3.36Å; E1185-V1227 HydrophobicContact CB-CG1 4.25Å; E1185-K1278 IonicContact OE1-NZ 2.69Å; E1185-K1278 IonicContact OE2-NZ 2.89Å; E1185-K1278 PolarHBondContact OE2-NZ 3.02Å |
| 1186 | V | 93.4 | Very high | 83.4 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | trans | -125.3 | 156 | 171.4 | -62.6 | 0 | 0 | 0 | 0 | 110 | M1167 V1168 Y1169 S1184 I1206 H1226 V1227 C1228 | M1167-V1186 HydrophobicContact CB-CB 4.48Å; M1167-V1186 HydrophobicContact CB-CG2 4.38Å; M1167-V1186 HydrophobicContact SD-CG2 4.33Å; V1168-V1186 WeakPolarHBondContact O-CA 3.27Å; Y1169-V1186 HydrophobicContact CD1-CG1 3.75Å; Y1169-V1186 HydrophobicContact CE1-CG1 3.44Å; Y1169-V1186 VanDerWaalsContact CE1-CG1 3.44Å; S1184-V1186 PolarHBondContact O-N 3.16Å; V1186-I1206 HydrophobicContact CG2-CD1 4.46Å; V1186-I1206 HydrophobicContact CG2-CG2 3.97Å; V1186-H1226 HydrophobicContact CG1-CB 4.28Å; V1186-H1226 HydrophobicContact CG2-CB 4.21Å; V1186-V1227 PolarHBondContact N-O 3.13Å; V1186-C1228 HydrophobicContact CG2-CB 4.08Å | ||
| 1187 | F | 92.3 | Very high | 84.1 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 0% | 0.004 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 130.3 | 177.9 | -64.1 | -84.3 | 0 | 0 | 0 | 110.7 | M1167 V1168 P1170 V1173 F1181 E1185 S1230 V1232 V1242 | M1167-F1187 CarbonylContact C-O 3.59Å; M1167-F1187 VanDerWaalsContact CA-O 3.3Å; M1167-F1187 WeakPolarHBondContact CA-O 3.37Å; V1168-F1187 HydrophobicContact CG2-CB 4.13Å; V1168-F1187 PolarHBondContact N-O 3.48Å; V1168-F1187 PolarHBondContact O-N 3.3Å; P1170-F1187 HydrophobicContact CB-CE2 4.33Å; P1170-F1187 HydrophobicContact CG-CE2 4.04Å; V1173-F1187 HydrophobicContact CG2-CD2 4.07Å; F1181-F1187 AromaticContact CD1-CE2 3.95Å; F1181-F1187 HydrophobicContact CD1-CE2 3.95Å; F1181-F1187 AromaticContact CD1-CZ 3.82Å; F1181-F1187 HydrophobicContact CD1-CZ 3.82Å; F1181-F1187 AromaticContact CE1-CE2 3.83Å; F1181-F1187 HydrophobicContact CE1-CE2 3.83Å; F1181-F1187 AromaticContact CE1-CZ 3.66Å; F1181-F1187 HydrophobicContact CE1-CZ 3.66Å; E1185-F1187 HydrophobicContact CG-CZ 4.4Å; F1187-S1230 WeakPolarHBondContact CA-O 3.38Å; F1187-V1232 HydrophobicContact CB-CG1 3.81Å; F1187-V1232 HydrophobicContact CB-CG2 4.14Å; F1187-V1232 HydrophobicContact CD1-CG1 4.11Å; F1187-V1232 HydrophobicContact CG-CG1 3.92Å; F1187-V1242 HydrophobicContact CE1-CG2 4.21Å; F1187-V1242 HydrophobicContact CZ-CG2 4.48Å |
| 1188 | A | 92.2 | Very high | 84.6 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 142.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | V1165 M1167 S1230 K1231 V1232 F1250 | V1165-A1188 HydrophobicContact CG1-CB 3.83Å; M1167-A1188 HydrophobicContact CE-CB 4.18Å; M1167-A1188 HydrophobicContact SD-CB 3.82Å; A1188-S1230 PolarHBondContact N-O 3.41Å; A1188-K1231 HydrophobicContact CB-CB 4.05Å; A1188-K1231 CarbonylContact O-C 3.54Å; A1188-K1231 WeakPolarHBondContact O-CA 3.24Å; A1188-K1231 VanDerWaalsContact O-CB 3.25Å; A1188-K1231 WeakPolarHBondContact O-CB 3.42Å; A1188-V1232 PolarHBondContact O-N 3.14Å; A1188-F1250 HydrophobicContact CB-CB 4.19Å; A1188-F1250 HydrophobicContact CB-CD1 3.8Å; A1188-F1250 HydrophobicContact CB-CD2 3.4Å; A1188-F1250 VanDerWaalsContact CB-CD2 3.4Å; A1188-F1250 HydrophobicContact CB-CE1 3.93Å; A1188-F1250 HydrophobicContact CB-CE2 3.56Å; A1188-F1250 HydrophobicContact CB-CG 3.52Å; A1188-F1250 HydrophobicContact CB-CZ 3.82Å |
| 1189 | T | 88.7 | Confident | 85.2 | Confident | 10 Ų | 10 | 45.3 Ų | 45.3 | 6% | 0.061 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 167.8 | 168.8 | 65.8 | 0 | 0 | 0 | 0 | 110.5 | T1166 V1168 I1191 V1232 L1240 | T1166-T1189 WeakPolarHBondContact O-CB 3.38Å; T1166-T1189 PolarHBondContact O-N 2.88Å; T1166-T1189 PolarHBondContact O-OG1 3.36Å; V1168-T1189 HydrophobicContact CG1-CG2 3.8Å; V1168-T1189 HydrophobicContact CG2-CG2 4.01Å; T1189-I1191 PolarHBondContact OG1-N 3.1Å; T1189-I1191 PolarHBondContact OG1-O 3.29Å; T1189-V1232 HydrophobicContact CG2-CG2 3.98Å; T1189-L1240 HydrophobicContact CG2-CD1 4.2Å |
| 1190 | D | 80.2 | Confident | 85.7 | Confident | 90 Ų | 90 | 43.2 Ų | 43.2 | 48% | 0.481 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | -1 | 163 | 40.4 | 11.9 | 0 | 0 | 0 | 112.8 | Q1192 | D1190-Q1192 PolarHBondContact O-N 3.4Å |
| 1191 | I | 74.6 | Confident | 85.9 | Confident | 85 Ų | 85 | 41.6 Ų | 41.6 | 44% | 0.436 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 93.9 | -177.8 | -49.4 | 176.1 | 0 | 0 | 0 | 109.5 | T1166 T1189 | T1166-I1191 WeakPolarHBondContact CB-O 3.48Å; T1166-I1191 PolarHBondContact N-O 2.87Å; T1166-I1191 PolarHBondContact OG1-O 3.44Å; T1166-I1191 VanDerWaalsContact OG1-O 3.05Å; T1189-I1191 PolarHBondContact OG1-N 3.1Å; T1189-I1191 PolarHBondContact OG1-O 3.29Å |
| 1192 | Q | 79.8 | Confident | 85.8 | Confident | 120 Ų | 120 | 42.1 Ų | 42.1 | 56% | 0.561 | 22% | 0.222 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -70 | 140.4 | 159.1 | -74.9 | -179.6 | -25.7 | 0 | 0 | 109.5 | E1151 G1164 D1190 | E1151-Q1192 PolarHBondContact OE2-NE2 3.5Å; G1164-Q1192 WeakPolarHBondContact O-CA 3.22Å; D1190-Q1192 PolarHBondContact O-N 3.4Å |
| 1193 | T | 78.6 | Confident | 85.9 | Confident | 44 Ų | 44 | 42.9 Ų | 42.9 | 27% | 0.27 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 141.3 | 179.1 | -52.3 | 0 | 0 | 0 | 0 | 109.8 | Y1195 | T1193-Y1195 WeakPolarHBondContact CB-OH 3.38Å; T1193-Y1195 HydrophobicContact CG2-CD1 4.47Å; T1193-Y1195 HydrophobicContact CG2-CD2 4.45Å; T1193-Y1195 HydrophobicContact CG2-CE1 3.77Å; T1193-Y1195 HydrophobicContact CG2-CE2 3.75Å; T1193-Y1195 WeakPolarHBondContact CG2-OH 3.43Å; T1193-Y1195 WeakPolarHBondContact O-CD2 3.4Å |
| 1194 | I | 89.6 | Confident | 86.5 | Confident | 98 Ų | 98 | 37.6 Ų | 37.6 | 50% | 0.503 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 134.8 | -179.7 | -59 | 177 | 0 | 0 | 0 | 108.7 | W1154 W1161 | W1154-I1194 HydrophobicContact CH2-CB 4.43Å; W1154-I1194 HydrophobicContact CH2-CD1 4.11Å; W1154-I1194 HydrophobicContact CH2-CG1 4.05Å; W1154-I1194 HydrophobicContact CH2-CG2 3.67Å; W1154-I1194 HydrophobicContact CZ2-CD1 4.33Å; W1154-I1194 HydrophobicContact CZ2-CG2 3.96Å; W1161-I1194 HydrophobicContact CE3-CG2 3.7Å; W1161-I1194 HydrophobicContact CZ3-CG2 4.25Å |
| 1195 | Y | 89.5 | Confident | 86.7 | Confident | 19 Ų | 19 | 36.7 Ų | 36.7 | 8% | 0.075 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 144.6 | 175.5 | -52.6 | -84.2 | 0 | 0 | 0 | 109.8 | V1138 P1140 V1148 V1162 T1193 | V1138-Y1195 HydrophobicContact CB-CD1 4.5Å; V1138-Y1195 HydrophobicContact CB-CG 4.43Å; V1138-Y1195 HydrophobicContact CG1-CD1 3.63Å; V1138-Y1195 HydrophobicContact CG1-CD2 4.28Å; V1138-Y1195 HydrophobicContact CG1-CE1 4.19Å; V1138-Y1195 HydrophobicContact CG1-CG 3.66Å; V1138-Y1195 HydrophobicContact CG2-CD2 4.23Å; V1138-Y1195 HydrophobicContact CG2-CG 4.39Å; P1140-Y1195 HydrophobicContact CB-CE1 4.03Å; V1148-Y1195 HydrophobicContact CG1-CE2 4.36Å; V1148-Y1195 HydrophobicContact CG2-CD2 4.08Å; V1148-Y1195 HydrophobicContact CG2-CE2 3.51Å; V1162-Y1195 WeakPolarHBondContact CG2-O 3.3Å; V1162-Y1195 PolarHBondContact N-O 3.08Å; V1162-Y1195 PolarHBondContact O-N 2.86Å; V1162-Y1195 VanDerWaalsContact O-O 3.12Å; T1193-Y1195 WeakPolarHBondContact CB-OH 3.38Å; T1193-Y1195 HydrophobicContact CG2-CD1 4.47Å; T1193-Y1195 HydrophobicContact CG2-CD2 4.45Å; T1193-Y1195 HydrophobicContact CG2-CE1 3.77Å; T1193-Y1195 HydrophobicContact CG2-CE2 3.75Å; T1193-Y1195 WeakPolarHBondContact CG2-OH 3.43Å; T1193-Y1195 WeakPolarHBondContact O-CD2 3.4Å |
| 1196 | P | 89.6 | Confident | 86.8 | Confident | 13 Ų | 13 | 36.8 Ų | 36.8 | 8% | 0.084 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 144.4 | 168.5 | 32.6 | -34.1 | 0 | 0 | 0 | 109.4 | W1161 T1198 Q1199 | W1161-P1196 HydrophobicContact CD2-CB 4.41Å; W1161-P1196 HydrophobicContact CE3-CB 4.01Å; W1161-P1196 HydrophobicContact CH2-CB 4.17Å; W1161-P1196 HydrophobicContact CZ3-CB 3.91Å; W1161-P1196 HydrophobicContact CZ3-CG 4.18Å; P1196-T1198 PolarHBondContact O-N 3.46Å; P1196-T1198 VanDerWaalsContact O-N 3.09Å; P1196-Q1199 HydrophobicContact CG-CB 4.29Å; P1196-Q1199 HydrophobicContact CG-CG 3.82Å; P1196-Q1199 PolarHBondContact O-N 3.39Å |
| 1197 | L | 88.3 | Confident | 86.8 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -59.6 | -24.8 | -178.2 | -175.2 | 53.5 | 0 | 0 | 0 | 112.3 | A1125 I1128 V1130 M1136 T1160 V1162 Q1199 T1200 | A1125-L1197 HydrophobicContact CB-CB 4.31Å; A1125-L1197 HydrophobicContact CB-CD2 3.69Å; A1125-L1197 HydrophobicContact CB-CG 4.08Å; I1128-L1197 HydrophobicContact CG2-CD1 4.27Å; V1130-L1197 HydrophobicContact CB-CD1 4.18Å; V1130-L1197 HydrophobicContact CG1-CD1 3.83Å; V1130-L1197 HydrophobicContact CG1-CD2 3.57Å; V1130-L1197 HydrophobicContact CG1-CG 4.39Å; M1136-L1197 HydrophobicContact CE-CD1 3.8Å; M1136-L1197 HydrophobicContact SD-CD1 3.99Å; T1160-L1197 HydrophobicContact CG2-CB 4.29Å; T1160-L1197 HydrophobicContact CG2-CD2 3.67Å; T1160-L1197 VanDerWaalsContact O-CB 3.29Å; T1160-L1197 WeakPolarHBondContact O-CB 3.09Å; T1160-L1197 PolarHBondContact O-N 3Å; V1162-L1197 HydrophobicContact CG1-CD1 4.22Å; L1197-Q1199 VanDerWaalsContact C-N 3.27Å; L1197-Q1199 PolarHBondContact O-N 2.74Å; L1197-T1200 HydrophobicContact CD1-CG2 3.89Å; L1197-T1200 WeakPolarHBondContact O-CB 3.5Å; L1197-T1200 WeakPolarHBondContact O-CG2 3.46Å; L1197-T1200 PolarHBondContact O-N 3.22Å; L1197-T1200 VanDerWaalsContact O-N 3.13Å; L1197-T1200 PolarHBondContact O-OG1 3.3Å |
| 1198 | T | 85.6 | Confident | 86.7 | Confident | 59 Ų | 59 | 39.2 Ų | 39.2 | 36% | 0.362 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -64.8 | -21 | 174.1 | 55.3 | 0 | 0 | 0 | 0 | 114.6 | P1196 T1200 | P1196-T1198 PolarHBondContact O-N 3.46Å; P1196-T1198 VanDerWaalsContact O-N 3.09Å; T1198-T1200 VanDerWaalsContact C-N 3.33Å |
| 1199 | Q | 86.5 | Confident | 86.5 | Confident | 77 Ų | 77 | 40.8 Ų | 40.8 | 36% | 0.36 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -87.4 | 0.4 | 173.6 | -74.2 | 177.2 | 12.5 | 0 | 0 | 113.4 | V1138 K1139 P1196 L1197 | V1138-Q1199 HydrophobicContact CG1-CB 3.95Å; K1139-Q1199 PolarHBondContact N-O 3.01Å; P1196-Q1199 HydrophobicContact CG-CB 4.29Å; P1196-Q1199 HydrophobicContact CG-CG 3.82Å; P1196-Q1199 PolarHBondContact O-N 3.39Å; L1197-Q1199 VanDerWaalsContact C-N 3.27Å; L1197-Q1199 PolarHBondContact O-N 2.74Å |
| 1200 | T | 84.5 | Confident | 86.5 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 141 | 175.4 | 71.1 | 0 | 0 | 0 | 0 | 110.9 | M1136 Y1137 V1138 L1197 T1198 F1653 | M1136-T1200 HydrophobicContact CB-CG2 4.31Å; M1136-T1200 HydrophobicContact CE-CG2 3.81Å; M1136-T1200 WeakPolarHBondContact CE-OG1 3.33Å; M1136-T1200 HydrophobicContact SD-CG2 3.83Å; Y1137-T1200 CarbonylContact O-C 3.49Å; Y1137-T1200 WeakPolarHBondContact O-CA 3.38Å; V1138-T1200 HydrophobicContact CG2-CG2 4.33Å; L1197-T1200 HydrophobicContact CD1-CG2 3.89Å; L1197-T1200 WeakPolarHBondContact O-CB 3.5Å; L1197-T1200 WeakPolarHBondContact O-CG2 3.46Å; L1197-T1200 PolarHBondContact O-N 3.22Å; L1197-T1200 VanDerWaalsContact O-N 3.13Å; L1197-T1200 PolarHBondContact O-OG1 3.3Å; T1198-T1200 VanDerWaalsContact C-N 3.33Å; T1200-F1653 VanDerWaalsContact O-CE1 3.25Å; T1200-F1653 WeakPolarHBondContact O-CE1 3.43Å |
| 1201 | S | 81.2 | Confident | 86.9 | Confident | 10 Ų | 10 | 45 Ų | 45 | 7% | 0.07 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 2.2 | -169.8 | 59.1 | 0 | 0 | 0 | 0 | 114.3 | Y1137 Q1145 | Y1137-S1201 WeakPolarHBondContact CB-OG 3.32Å; Y1137-S1201 PolarHBondContact O-N 3.31Å; Y1137-S1201 PolarHBondContact O-OG 2.67Å; Q1145-S1201 PolarHBondContact NE2-OG 3.36Å; Q1145-S1201 VanDerWaalsContact NE2-OG 3.1Å |
| 1202 | G | 83.2 | Confident | 87.7 | Confident | 29 Ų | 29 | 41.8 Ų | 41.8 | 30% | 0.299 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 155.3 | 155 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y1137 | Y1137-G1202 PolarHBondContact N-O 2.91Å |
| 1203 | R | 87.4 | Confident | 88.1 | Confident | 75 Ų | 75 | 37.2 Ų | 37.2 | 28% | 0.283 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 147.5 | 170.9 | -63.7 | -169.4 | -72.3 | 161.1 | 1.6 | 110.3 | M1136 E1219 I1220 | M1136-R1203 HydrophobicContact CE-CG 4.47Å; R1203-E1219 IonicContact CZ-OE2 3.54Å; R1203-E1219 IonicContact NH1-OE2 3.42Å; R1203-E1219 IonicContact NH2-OE2 2.73Å; R1203-E1219 PolarHBondContact NH2-OE2 3.06Å; R1203-E1219 VanDerWaalsContact NH2-OE2 3.13Å; R1203-I1220 HydrophobicContact CB-CD1 4.1Å |
| 1204 | C | 91.9 | Very high | 88.6 | Confident | 6 Ų | 6 | 36.4 Ų | 36.4 | 4% | 0.041 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | -179.2 | 172.2 | 65.5 | 0 | 0 | 0 | 0 | 109.7 | C1135 Y1137 H1224 | C1135-C1204 WeakPolarHBondContact CB-O 3.27Å; C1135-C1204 VanDerWaalsContact CB-SG 3.58Å; C1135-C1204 PolarHBondContact O-N 3.38Å; C1135-C1204 PolarHBondContact O-SG 2.96Å; Y1137-C1204 HydrophobicContact CD2-CB 4.09Å; Y1137-C1204 HydrophobicContact CE2-CB 3.62Å; C1204-H1224 HydrophobicContact CB-CB 4.05Å; C1204-H1224 WeakPolarHBondContact CB-O 3.29Å |
| 1205 | V | 92.8 | Very high | 88.7 | Confident | 26 Ų | 26 | 32.1 Ų | 32.1 | 16% | 0.158 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 137.7 | 171.4 | 69.8 | 0 | 0 | 0 | 0 | 111.3 | L1207 P1217 I1220 H1224 V1225 H1226 | V1205-L1207 HydrophobicContact CG1-CG 4.27Å; V1205-L1207 HydrophobicContact CG2-CD2 3.68Å; V1205-L1207 HydrophobicContact CG2-CG 4.03Å; V1205-P1217 HydrophobicContact CB-CG 4.35Å; V1205-P1217 HydrophobicContact CG1-CG 4.06Å; V1205-P1217 HydrophobicContact CG2-CG 4.35Å; V1205-I1220 HydrophobicContact CB-CG1 4.4Å; V1205-I1220 HydrophobicContact CB-CG2 4.47Å; V1205-I1220 HydrophobicContact CG1-CB 4.41Å; V1205-I1220 HydrophobicContact CG1-CG2 4.06Å; V1205-H1224 PolarHBondContact N-O 3.35Å; V1205-V1225 HydrophobicContact CG1-CB 4.13Å; V1205-V1225 HydrophobicContact CG1-CG1 3.93Å; V1205-V1225 HydrophobicContact CG1-CG2 3.86Å; V1205-H1226 PolarHBondContact O-N 2.92Å |
| 1206 | I | 93.3 | Very high | 88.8 | Confident | 9 Ų | 9 | 31.4 Ų | 31.4 | 5% | 0.046 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 104.5 | 175.8 | -55.4 | 176.3 | 0 | 0 | 0 | 107.2 | C1135 L1147 M1167 V1186 H1226 C1228 L1252 | C1135-I1206 HydrophobicContact CB-CD1 4.18Å; C1135-I1206 HydrophobicContact CB-CG1 3.96Å; L1147-I1206 HydrophobicContact CB-CD1 4.35Å; L1147-I1206 HydrophobicContact CD2-CD1 4.37Å; M1167-I1206 HydrophobicContact CB-CD1 4.26Å; M1167-I1206 HydrophobicContact CE-CD1 4Å; M1167-I1206 HydrophobicContact CE-CG2 4.46Å; M1167-I1206 HydrophobicContact CG-CD1 3.62Å; M1167-I1206 HydrophobicContact SD-CD1 3.94Å; M1167-I1206 HydrophobicContact SD-CG2 4.42Å; V1186-I1206 HydrophobicContact CG2-CD1 4.46Å; V1186-I1206 HydrophobicContact CG2-CG2 3.97Å; I1206-H1226 HydrophobicContact CG1-CB 4.37Å; I1206-C1228 HydrophobicContact CG2-CB 3.54Å; I1206-L1252 HydrophobicContact CB-CD2 4.45Å; I1206-L1252 HydrophobicContact CG2-CD1 4.4Å; I1206-L1252 HydrophobicContact CG2-CD2 4.17Å; I1206-L1252 WeakPolarHBondContact O-CD1 3.37Å |
| 1207 | L | 92.7 | Very high | 88.8 | Confident | 26 Ų | 26 | 31.6 Ų | 31.6 | 14% | 0.136 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 156.5 | -176.1 | -63.9 | 177.5 | 0 | 0 | 0 | 111.4 | V1205 V1225 H1226 V1227 C1228 L1252 | V1205-L1207 HydrophobicContact CG1-CG 4.27Å; V1205-L1207 HydrophobicContact CG2-CD2 3.68Å; V1205-L1207 HydrophobicContact CG2-CG 4.03Å; L1207-V1225 HydrophobicContact CD1-CG1 3.77Å; L1207-V1225 HydrophobicContact CG-CG1 4.37Å; L1207-H1226 PolarHBondContact N-O 3.21Å; L1207-V1227 WeakPolarHBondContact O-CA 3.41Å; L1207-C1228 PolarHBondContact O-N 2.9Å; L1207-L1252 VanDerWaalsContact C-CD1 3.4Å |
| 1208 | S | 90.9 | Very high | 89 | Confident | 26 Ų | 26 | 31.7 Ų | 31.7 | 18% | 0.182 | 17% | 0.173 | C | C | . | . | trans | -70.7 | 160.4 | 167.3 | 88.7 | 0 | 0 | 0 | 0 | 110.5 | K1210 D1211 Y1212 | S1208-K1210 PolarHBondContact O-N 2.88Å; S1208-K1210 VanDerWaalsContact O-N 3.12Å; S1208-K1210 WeakPolarHBondContact OG-CB 3.43Å; S1208-K1210 PolarHBondContact OG-N 2.83Å; S1208-D1211 WeakPolarHBondContact CB-OD2 3.22Å; S1208-D1211 PolarHBondContact O-N 3.14Å; S1208-D1211 VanDerWaalsContact O-N 3.1Å; S1208-D1211 PolarHBondContact OG-N 3.42Å; S1208-D1211 PolarHBondContact OG-OD2 2.96Å; S1208-Y1212 VanDerWaalsContact O-CB 3.3Å; S1208-Y1212 WeakPolarHBondContact O-CB 3.36Å; S1208-Y1212 PolarHBondContact O-N 3.4Å | ||
| 1209 | V | 87.8 | Confident | 89.1 | Confident | 33 Ų | 33 | 30.9 Ų | 30.9 | 20% | 0.2 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -54.6 | -30.7 | 173.6 | 166.1 | 0 | 0 | 0 | 0 | 112.5 | Y1182 C1213 V1227 D1229 L1276 | Y1182-V1209 HydrophobicContact CD2-CG2 4.25Å; Y1182-V1209 HydrophobicContact CE2-CG2 3.79Å; V1209-C1213 WeakPolarHBondContact O-CB 3.33Å; V1209-C1213 PolarHBondContact O-N 3.37Å; V1209-C1213 PolarHBondContact O-SG 2.83Å; V1209-V1227 HydrophobicContact CB-CG2 4.35Å; V1209-V1227 HydrophobicContact CG2-CG2 3.66Å; V1209-D1229 HydrophobicContact CB-CB 4.49Å; V1209-D1229 HydrophobicContact CG2-CB 3.74Å; V1209-L1276 HydrophobicContact CB-CD1 4.39Å; V1209-L1276 HydrophobicContact CG1-CD1 4.06Å; V1209-L1276 HydrophobicContact CG2-CD1 4.36Å |
| 1210 | K | 88.1 | Confident | 89.1 | Confident | 141 Ų | 141 | 28.8 Ų | 28.8 | 61% | 0.613 | 16% | 0.156 | S | C | * | . | H | α-helix | trans | -69.9 | -52.9 | 175.3 | 175.5 | -166.4 | 161.7 | -115.9 | 0 | 110.7 | S1208 C1213 S1214 | S1208-K1210 PolarHBondContact O-N 2.88Å; S1208-K1210 VanDerWaalsContact O-N 3.12Å; S1208-K1210 WeakPolarHBondContact OG-CB 3.43Å; S1208-K1210 PolarHBondContact OG-N 2.83Å; K1210-C1213 WeakPolarHBondContact O-CA 3.47Å; K1210-C1213 WeakPolarHBondContact O-CB 3.09Å; K1210-C1213 PolarHBondContact O-N 2.8Å; K1210-C1213 VanDerWaalsContact O-N 3.09Å; K1210-S1214 PolarHBondContact O-N 2.89Å; K1210-S1214 VanDerWaalsContact O-N 3.13Å; K1210-S1214 PolarHBondContact O-OG 3.23Å |
| 1211 | D | 89.9 | Confident | 89.1 | Confident | 48 Ų | 48 | 33.4 Ų | 33.4 | 26% | 0.257 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -78.5 | -33.8 | -168.7 | -45 | -57.1 | 0 | 0 | 0 | 110.8 | S1208 C1213 S1214 S1215 | S1208-D1211 WeakPolarHBondContact CB-OD2 3.22Å; S1208-D1211 PolarHBondContact O-N 3.14Å; S1208-D1211 VanDerWaalsContact O-N 3.1Å; S1208-D1211 PolarHBondContact OG-N 3.42Å; S1208-D1211 PolarHBondContact OG-OD2 2.96Å; D1211-C1213 PolarHBondContact O-N 3.22Å; D1211-S1214 WeakPolarHBondContact CA-OG 3.47Å; D1211-S1214 PolarHBondContact O-N 2.87Å; D1211-S1214 PolarHBondContact O-OG 2.69Å; D1211-S1215 PolarHBondContact O-N 3.39Å; D1211-S1215 PolarHBondContact O-OG 2.92Å |
| 1212 | Y | 89.9 | Confident | 89.2 | Confident | 18 Ų | 18 | 35.2 Ų | 35.2 | 7% | 0.071 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.2 | -33.8 | 165.3 | -168.9 | -75.2 | 0 | 0 | 0 | 111.8 | S1208 R1216 V1225 V1227 I1274 L1276 | S1208-Y1212 VanDerWaalsContact O-CB 3.3Å; S1208-Y1212 WeakPolarHBondContact O-CB 3.36Å; S1208-Y1212 PolarHBondContact O-N 3.4Å; Y1212-R1216 PolarHBondContact O-NH1 3.44Å; Y1212-V1225 HydrophobicContact CD2-CG1 3.7Å; Y1212-V1225 HydrophobicContact CE2-CB 4.34Å; Y1212-V1225 HydrophobicContact CE2-CG1 3.6Å; Y1212-V1227 HydrophobicContact CD2-CB 3.78Å; Y1212-V1227 HydrophobicContact CD2-CG2 4.42Å; Y1212-V1227 HydrophobicContact CE2-CB 4.31Å; Y1212-V1227 HydrophobicContact CG-CB 4.1Å; Y1212-V1227 HydrophobicContact CG-CG2 4.28Å; Y1212-I1274 HydrophobicContact CD1-CD1 4.14Å; Y1212-I1274 HydrophobicContact CE1-CD1 3.96Å; Y1212-L1276 HydrophobicContact CD1-CD1 3.84Å; Y1212-L1276 HydrophobicContact CD1-CD2 3.6Å; Y1212-L1276 HydrophobicContact CD1-CG 3.71Å; Y1212-L1276 HydrophobicContact CE1-CD2 3.47Å; Y1212-L1276 VanDerWaalsContact CE1-CD2 3.47Å; Y1212-L1276 HydrophobicContact CE1-CG 4.08Å; Y1212-L1276 HydrophobicContact CG-CD1 4.32Å |
| 1213 | C | 88.5 | Confident | 89.3 | Confident | 24 Ų | 24 | 38.6 Ų | 38.6 | 16% | 0.162 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -74.6 | -28.9 | 173.8 | -72.3 | 0 | 0 | 0 | 0 | 113 | V1209 K1210 D1211 F1270 P1273 I1274 | V1209-C1213 WeakPolarHBondContact O-CB 3.33Å; V1209-C1213 PolarHBondContact O-N 3.37Å; V1209-C1213 PolarHBondContact O-SG 2.83Å; K1210-C1213 WeakPolarHBondContact O-CA 3.47Å; K1210-C1213 WeakPolarHBondContact O-CB 3.09Å; K1210-C1213 PolarHBondContact O-N 2.8Å; K1210-C1213 VanDerWaalsContact O-N 3.09Å; D1211-C1213 PolarHBondContact O-N 3.22Å; C1213-F1270 VanDerWaalsContact O-CD2 3.3Å; C1213-F1270 WeakPolarHBondContact O-CD2 3.46Å; C1213-P1273 CarbonylContact O-C 3.53Å; C1213-P1273 VanDerWaalsContact O-C 3.26Å; C1213-P1273 WeakPolarHBondContact O-CA 3.35Å; C1213-P1273 WeakPolarHBondContact O-CB 3.49Å; C1213-I1274 PolarHBondContact O-N 2.86Å |
| 1214 | S | 89.8 | Confident | 89.5 | Confident | 26 Ų | 26 | 38.3 Ų | 38.3 | 18% | 0.182 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -106.3 | -20.9 | -169.8 | 60.3 | 0 | 0 | 0 | 0 | 116.9 | K1210 D1211 F1270 | K1210-S1214 PolarHBondContact O-N 2.89Å; K1210-S1214 VanDerWaalsContact O-N 3.13Å; K1210-S1214 PolarHBondContact O-OG 3.23Å; D1211-S1214 WeakPolarHBondContact CA-OG 3.47Å; D1211-S1214 PolarHBondContact O-N 2.87Å; D1211-S1214 PolarHBondContact O-OG 2.69Å; S1214-F1270 WeakPolarHBondContact O-CB 3.27Å; S1214-F1270 WeakPolarHBondContact O-CG 3.49Å; S1214-F1270 PolarHBondContact O-N 3.15Å |
| 1215 | S | 91.7 | Very high | 89.5 | Confident | 9 Ų | 9 | 38.1 Ų | 38.1 | 6% | 0.063 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 167.8 | -163.1 | 29.2 | 0 | 0 | 0 | 0 | 114.2 | D1211 F1268 | D1211-S1215 PolarHBondContact O-N 3.39Å; D1211-S1215 PolarHBondContact O-OG 2.92Å; S1215-F1268 CarbonylContact C-O 3.56Å; S1215-F1268 WeakPolarHBondContact CA-O 3.22Å; S1215-F1268 WeakPolarHBondContact CB-O 3.19Å |
| 1216 | R | 91.1 | Very high | 89.5 | Confident | 3 Ų | 3 | 37.3 Ų | 37.3 | 1% | 0.011 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 145.6 | 169.1 | -65.8 | -64.8 | -177.6 | -98.1 | 6 | 110.6 | A774 Y1212 E1222 V1267 F1268 F1270 | A774-R1216 HydrophobicContact CB-CB 3.64Å; A774-R1216 HydrophobicContact CB-CG 3.98Å; Y1212-R1216 PolarHBondContact O-NH1 3.44Å; R1216-E1222 WeakPolarHBondContact CD-OE2 3.2Å; R1216-E1222 IonicContact CZ-OE1 2.63Å; R1216-E1222 IonicContact CZ-OE2 3.93Å; R1216-E1222 IonicContact NE-OE1 3.94Å; R1216-E1222 PolarHBondContact NE-OE1 2.68Å; R1216-E1222 IonicContact NE-OE2 2.96Å; R1216-E1222 PolarHBondContact NE-OE2 3.33Å; R1216-E1222 IonicContact NH2-OE1 3.6Å; R1216-E1222 PolarHBondContact NH2-OE1 3.28Å; R1216-E1222 IonicContact NH2-OE2 2.81Å; R1216-V1267 CarbonylContact O-C 3.56Å; R1216-V1267 WeakPolarHBondContact O-CA 3.32Å; R1216-F1268 PolarHBondContact N-O 2.79Å; R1216-F1268 PolarHBondContact O-N 3.07Å; R1216-F1270 HydrophobicContact CB-CE1 4.46Å; R1216-F1270 HydrophobicContact CG-CE1 3.73Å; R1216-F1270 HydrophobicContact CG-CZ 3.68Å |
| 1217 | P | 90.8 | Very high | 89.4 | Confident | 17 Ų | 17 | 36.9 Ų | 36.9 | 11% | 0.11 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 148.9 | 157.1 | 31.5 | -34.6 | 0 | 0 | 0 | 109.7 | V1205 I1220 E1266 | V1205-P1217 HydrophobicContact CB-CG 4.35Å; V1205-P1217 HydrophobicContact CG1-CG 4.06Å; V1205-P1217 HydrophobicContact CG2-CG 4.35Å; P1217-I1220 HydrophobicContact CB-CG1 4.37Å; P1217-I1220 HydrophobicContact CG-CB 3.98Å; P1217-I1220 HydrophobicContact CG-CG1 3.76Å; P1217-E1266 CarbonylContact C-O 3.09Å; P1217-E1266 VanDerWaalsContact CA-O 3.29Å; P1217-E1266 WeakPolarHBondContact CA-O 3.45Å |
| 1218 | T | 90.4 | Very high | 89.4 | Confident | 4 Ų | 4 | 35.7 Ų | 35.7 | 3% | 0.025 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -79.1 | -25.5 | -177.4 | 62.9 | 0 | 0 | 0 | 0 | 113.7 | Q775 V778 L881 E1266 F1268 | Q775-T1218 PolarHBondContact OE1-O 2.96Å; Q775-T1218 VanDerWaalsContact OE1-O 3.08Å; V778-T1218 HydrophobicContact CG2-CG2 3.71Å; L881-T1218 HydrophobicContact CD1-CG2 3.73Å; T1218-E1266 HydrophobicContact CG2-CB 3.88Å; T1218-E1266 PolarHBondContact N-O 3.41Å; T1218-E1266 WeakPolarHBondContact OG1-CB 3.42Å; T1218-F1268 HydrophobicContact CG2-CB 4.35Å |
| 1219 | E | 87.9 | Confident | 89.2 | Confident | 41 Ų | 41 | 37.7 Ų | 37.7 | 19% | 0.192 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -83.3 | -15.2 | -175.4 | -70.6 | -178.7 | -132.2 | 0 | 0 | 114.9 | K830 R831 R1104 R1203 | K830-E1219 HydrophobicContact CB-CG 4.35Å; R831-E1219 VanDerWaalsContact CD-OE1 3.3Å; R831-E1219 WeakPolarHBondContact CD-OE1 3.4Å; R831-E1219 HydrophobicContact CG-CG 4.27Å; R831-E1219 IonicContact CZ-OE1 3.52Å; R831-E1219 IonicContact NE-OE1 3.5Å; R831-E1219 IonicContact NH1-OE1 3.11Å; R831-E1219 PolarHBondContact NH1-OE1 3.16Å; R1104-E1219 IonicContact NH2-OE2 3.87Å; R1203-E1219 IonicContact CZ-OE2 3.54Å; R1203-E1219 IonicContact NH1-OE2 3.42Å; R1203-E1219 IonicContact NH2-OE2 2.73Å; R1203-E1219 PolarHBondContact NH2-OE2 3.06Å; R1203-E1219 VanDerWaalsContact NH2-OE2 3.13Å |
| 1220 | I | 88.3 | Confident | 89.2 | Confident | 33 Ų | 33 | 36.2 Ų | 36.2 | 17% | 0.169 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -102.1 | 129.8 | -176.2 | -50.5 | -62.6 | 0 | 0 | 0 | 110.6 | R1203 V1205 P1217 H1224 V1225 | R1203-I1220 HydrophobicContact CB-CD1 4.1Å; V1205-I1220 HydrophobicContact CB-CG1 4.4Å; V1205-I1220 HydrophobicContact CB-CG2 4.47Å; V1205-I1220 HydrophobicContact CG1-CB 4.41Å; V1205-I1220 HydrophobicContact CG1-CG2 4.06Å; P1217-I1220 HydrophobicContact CB-CG1 4.37Å; P1217-I1220 HydrophobicContact CG-CB 3.98Å; P1217-I1220 HydrophobicContact CG-CG1 3.76Å; I1220-H1224 HydrophobicContact CG2-CB 3.87Å; I1220-V1225 HydrophobicContact CG2-CG2 4.47Å |
| 1221 | D | 84.1 | Confident | 89.3 | Confident | 97 Ų | 97 | 32.3 Ų | 32.3 | 52% | 0.519 | 17% | 0.172 | S | C | . | . | trans | -67.6 | 145.3 | 175 | -173.3 | -87.8 | 0 | 0 | 0 | 111.9 | T1223 H1224 | D1221-T1223 PolarHBondContact O-N 3.09Å; D1221-T1223 VanDerWaalsContact O-N 3.1Å; D1221-T1223 VanDerWaalsContact OD1-CB 3.3Å; D1221-T1223 WeakPolarHBondContact OD1-CB 3.29Å; D1221-T1223 WeakPolarHBondContact OD1-CG2 3.31Å; D1221-T1223 PolarHBondContact OD1-N 2.94Å; D1221-T1223 PolarHBondContact OD1-OG1 2.56Å; D1221-H1224 PolarHBondContact O-N 3.02Å | ||
| 1222 | E | 83.2 | Confident | 89.3 | Confident | 49 Ų | 49 | 30 Ų | 30 | 23% | 0.229 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -58.8 | -25.7 | -177.8 | -170.8 | 67.5 | -179.1 | 0 | 0 | 112.9 | I771 R1216 H1224 V1225 | I771-E1222 HydrophobicContact CG2-CG 4.02Å; R1216-E1222 WeakPolarHBondContact CD-OE2 3.2Å; R1216-E1222 IonicContact CZ-OE1 2.63Å; R1216-E1222 IonicContact CZ-OE2 3.93Å; R1216-E1222 IonicContact NE-OE1 3.94Å; R1216-E1222 PolarHBondContact NE-OE1 2.68Å; R1216-E1222 IonicContact NE-OE2 2.96Å; R1216-E1222 PolarHBondContact NE-OE2 3.33Å; R1216-E1222 IonicContact NH2-OE1 3.6Å; R1216-E1222 PolarHBondContact NH2-OE1 3.28Å; R1216-E1222 IonicContact NH2-OE2 2.81Å; E1222-H1224 PolarHBondContact O-N 3.19Å; E1222-V1225 PolarHBondContact O-N 2.88Å |
| 1223 | T | 85.3 | Confident | 89 | Confident | 100 Ų | 100 | 31.3 Ų | 31.3 | 61% | 0.613 | 17% | 0.168 | S | C | * | . | G | 310 helix | trans | -71.6 | -7.3 | 173.5 | 63.3 | 0 | 0 | 0 | 0 | 114.1 | D1221 | D1221-T1223 PolarHBondContact O-N 3.09Å; D1221-T1223 VanDerWaalsContact O-N 3.1Å; D1221-T1223 VanDerWaalsContact OD1-CB 3.3Å; D1221-T1223 WeakPolarHBondContact OD1-CB 3.29Å; D1221-T1223 WeakPolarHBondContact OD1-CG2 3.31Å; D1221-T1223 PolarHBondContact OD1-N 2.94Å; D1221-T1223 PolarHBondContact OD1-OG1 2.56Å |
| 1224 | H | 90.6 | Very high | 88.4 | Confident | 69 Ų | 69 | 32.1 Ų | 32.1 | 32% | 0.319 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -117.9 | 15.2 | 178.6 | -59.2 | -12.5 | 0 | 0 | 0 | 112.7 | Y1137 C1204 V1205 I1220 D1221 E1222 H1226 | Y1137-H1224 HydrophobicContact CE2-CB 4.3Å; Y1137-H1224 AromaticContact CE2-CG 3.91Å; Y1137-H1224 AromaticContact CE2-ND1 3.95Å; Y1137-H1224 PolarHBondContact OH-ND1 3.37Å; C1204-H1224 HydrophobicContact CB-CB 4.05Å; C1204-H1224 WeakPolarHBondContact CB-O 3.29Å; V1205-H1224 PolarHBondContact N-O 3.35Å; I1220-H1224 HydrophobicContact CG2-CB 3.87Å; D1221-H1224 PolarHBondContact O-N 3.02Å; E1222-H1224 PolarHBondContact O-N 3.19Å; H1224-H1226 PolarHBondContact O-CD2 3.27Å |
| 1225 | V | 91.5 | Very high | 87.3 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 117 | 174.6 | -172.8 | 0 | 0 | 0 | 0 | 109.8 | V1205 L1207 Y1212 I1220 E1222 | V1205-V1225 HydrophobicContact CG1-CB 4.13Å; V1205-V1225 HydrophobicContact CG1-CG1 3.93Å; V1205-V1225 HydrophobicContact CG1-CG2 3.86Å; L1207-V1225 HydrophobicContact CD1-CG1 3.77Å; L1207-V1225 HydrophobicContact CG-CG1 4.37Å; Y1212-V1225 HydrophobicContact CD2-CG1 3.7Å; Y1212-V1225 HydrophobicContact CE2-CB 4.34Å; Y1212-V1225 HydrophobicContact CE2-CG1 3.6Å; I1220-V1225 HydrophobicContact CG2-CG2 4.47Å; E1222-V1225 PolarHBondContact O-N 2.88Å |
| 1226 | H | 93 | Very high | 86.1 | Confident | 9 Ų | 9 | 41.3 Ų | 41.3 | 4% | 0.042 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 163.6 | 178.1 | -55 | -87.4 | 0 | 0 | 0 | 110.8 | Y1137 Y1169 S1184 V1186 V1205 I1206 L1207 H1224 | Y1137-H1226 AromaticContact CZ-NE2 3.82Å; Y1137-H1226 PolarHBondContact OH-NE2 2.89Å; Y1169-H1226 PolarHBondContact OH-CE1 3.35Å; Y1169-H1226 PolarHBondContact OH-ND1 2.87Å; S1184-H1226 WeakPolarHBondContact O-CA 3.45Å; V1186-H1226 HydrophobicContact CG1-CB 4.28Å; V1186-H1226 HydrophobicContact CG2-CB 4.21Å; V1205-H1226 PolarHBondContact O-N 2.92Å; I1206-H1226 HydrophobicContact CG1-CB 4.37Å; L1207-H1226 PolarHBondContact N-O 3.21Å; H1224-H1226 PolarHBondContact O-CD2 3.27Å |
| 1227 | V | 92.4 | Very high | 84.7 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 133.9 | -179.3 | 64.8 | 0 | 0 | 0 | 0 | 112.3 | S1184 E1185 V1186 L1207 V1209 Y1212 L1276 | S1184-V1227 PolarHBondContact O-N 3.37Å; E1185-V1227 WeakPolarHBondContact CA-O 3.36Å; E1185-V1227 HydrophobicContact CB-CG1 4.25Å; V1186-V1227 PolarHBondContact N-O 3.13Å; L1207-V1227 WeakPolarHBondContact O-CA 3.41Å; V1209-V1227 HydrophobicContact CB-CG2 4.35Å; V1209-V1227 HydrophobicContact CG2-CG2 3.66Å; Y1212-V1227 HydrophobicContact CD2-CB 3.78Å; Y1212-V1227 HydrophobicContact CD2-CG2 4.42Å; Y1212-V1227 HydrophobicContact CE2-CB 4.31Å; Y1212-V1227 HydrophobicContact CG-CB 4.1Å; Y1212-V1227 HydrophobicContact CG-CG2 4.28Å; V1227-L1276 HydrophobicContact CG2-CD1 4.09Å |
| 1228 | C | 92.4 | Very high | 83.6 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.014 | 29% | 0.286 | C | S | . | . | trans | -137.6 | 130.9 | 177.7 | -177.8 | 0 | 0 | 0 | 0 | 112.1 | V1186 I1206 L1207 S1230 | V1186-C1228 HydrophobicContact CG2-CB 4.08Å; I1206-C1228 HydrophobicContact CG2-CB 3.54Å; L1207-C1228 PolarHBondContact O-N 2.9Å; C1228-S1230 PolarHBondContact SG-O 3.38Å | ||
| 1229 | D | 86.4 | Confident | 83 | Confident | 67 Ų | 67 | 53 Ų | 53 | 36% | 0.358 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -140.1 | 10.3 | 171 | -175.9 | 58 | 0 | 0 | 0 | 111 | V1209 F1250 | V1209-D1229 HydrophobicContact CB-CB 4.49Å; V1209-D1229 HydrophobicContact CG2-CB 3.74Å; D1229-F1250 PolarHBondContact O-N 3.32Å |
| 1230 | S | 88.9 | Confident | 82.8 | Confident | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.014 | 31% | 0.306 | C | S | . | . | B | Isolated β-bridge | trans | -148.5 | 147.7 | -176.7 | -68.5 | 0 | 0 | 0 | 0 | 112.7 | F1187 A1188 C1228 R1248 | F1187-S1230 WeakPolarHBondContact CA-O 3.38Å; A1188-S1230 PolarHBondContact N-O 3.41Å; C1228-S1230 PolarHBondContact SG-O 3.38Å; S1230-R1248 CarbonylContact C-O 3.19Å; S1230-R1248 WeakPolarHBondContact CA-O 3.37Å; S1230-R1248 WeakPolarHBondContact CB-O 3.09Å; S1230-R1248 PolarHBondContact OG-NE 3.06Å |
| 1231 | K | 89.9 | Confident | 82.5 | Confident | 59 Ų | 59 | 52.5 Ų | 52.5 | 26% | 0.257 | 31% | 0.31 | S | S | . | . | B | Isolated β-bridge | trans | -107.4 | 159.5 | 168.6 | 66.4 | 164 | -173.1 | 164.3 | 0 | 111.7 | A1188 P1243 E1247 R1248 F1250 | A1188-K1231 HydrophobicContact CB-CB 4.05Å; A1188-K1231 CarbonylContact O-C 3.54Å; A1188-K1231 WeakPolarHBondContact O-CA 3.24Å; A1188-K1231 VanDerWaalsContact O-CB 3.25Å; A1188-K1231 WeakPolarHBondContact O-CB 3.42Å; K1231-P1243 WeakPolarHBondContact O-CD 3.21Å; K1231-E1247 WeakPolarHBondContact CE-O 3.47Å; K1231-E1247 VanDerWaalsContact CG-O 3.23Å; K1231-E1247 WeakPolarHBondContact CG-O 3.44Å; K1231-R1248 PolarHBondContact N-O 2.97Å; K1231-F1250 HydrophobicContact CB-CB 4.13Å; K1231-F1250 HydrophobicContact CB-CD2 4.33Å |
| 1232 | V | 89.4 | Confident | 82.2 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | trans | -110.6 | 161.6 | 169.2 | -70.7 | 0 | 0 | 0 | 0 | 110.3 | V1168 V1173 F1187 A1188 T1189 L1240 S1241 V1242 | V1168-V1232 HydrophobicContact CG2-CG2 3.89Å; V1173-V1232 HydrophobicContact CB-CG1 4.36Å; V1173-V1232 HydrophobicContact CG1-CG1 3.55Å; V1173-V1232 HydrophobicContact CG2-CG1 3.81Å; F1187-V1232 HydrophobicContact CB-CG1 3.81Å; F1187-V1232 HydrophobicContact CB-CG2 4.14Å; F1187-V1232 HydrophobicContact CD1-CG1 4.11Å; F1187-V1232 HydrophobicContact CG-CG1 3.92Å; A1188-V1232 PolarHBondContact O-N 3.14Å; T1189-V1232 HydrophobicContact CG2-CG2 3.98Å; V1232-L1240 HydrophobicContact CB-CB 4.33Å; V1232-L1240 HydrophobicContact CG2-CB 4.17Å; V1232-L1240 HydrophobicContact CG2-CD1 4.19Å; V1232-L1240 HydrophobicContact CG2-CD2 4.39Å; V1232-L1240 HydrophobicContact CG2-CG 4.49Å; V1232-S1241 VanDerWaalsContact CA-O 3.29Å; V1232-S1241 WeakPolarHBondContact CA-O 3.48Å; V1232-S1241 WeakPolarHBondContact CB-O 3.45Å; V1232-V1242 HydrophobicContact CG1-CG2 4Å | ||
| 1233 | I | 82.7 | Confident | 81.9 | Confident | 46 Ų | 46 | 48.1 Ų | 48.1 | 24% | 0.236 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 141.6 | 176.4 | -57.7 | 179.4 | 0 | 0 | 0 | 108.3 | S1241 P1243 | I1233-S1241 PolarHBondContact N-O 3.07Å; I1233-S1241 PolarHBondContact O-N 2.88Å; I1233-S1241 PolarHBondContact O-OG 3.14Å; I1233-P1243 HydrophobicContact CD1-CG 3.65Å; I1233-P1243 HydrophobicContact CG1-CG 3.84Å |
| 1234 | G | 76.8 | Confident | 81 | Confident | 41 Ų | 41 | 51.8 Ų | 51.8 | 42% | 0.423 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 128.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 1235 | T | 65.9 | Low | 79.7 | Confident | 47 Ų | 47 | 52.4 Ų | 52.4 | 29% | 0.288 | 31% | 0.306 | S | S | . | . | trans | -84.6 | 160.5 | 169.9 | 65.9 | 0 | 0 | 0 | 0 | 110.8 | S1237 G1238 K1239 S1241 | T1235-S1237 PolarHBondContact O-N 3.34Å; T1235-S1237 PolarHBondContact OG1-N 3.04Å; T1235-S1237 PolarHBondContact OG1-OG 2.85Å; T1235-G1238 PolarHBondContact O-N 2.91Å; T1235-K1239 WeakPolarHBondContact CB-O 3.3Å; T1235-K1239 WeakPolarHBondContact CG2-O 3.32Å; T1235-K1239 PolarHBondContact N-O 3.09Å; T1235-K1239 PolarHBondContact OG1-O 3.45Å; T1235-S1241 VanDerWaalsContact CG2-OG 3.28Å; T1235-S1241 WeakPolarHBondContact CG2-OG 3.43Å | ||
| 1236 | N | 66.5 | Low | 78.1 | Confident | 181 Ų | 181 | 57.5 Ų | 57.5 | 97% | 0.968 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -6.8 | 171.8 | -56.5 | 25.7 | 0 | 0 | 0 | 114.3 | ||
| 1237 | S | 61.9 | Low | 76.7 | Confident | 85 Ų | 85 | 61.9 Ų | 61.9 | 59% | 0.594 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | 5.2 | 174.6 | 73.5 | 0 | 0 | 0 | 0 | 114.1 | T1235 K1239 | T1235-S1237 PolarHBondContact O-N 3.34Å; T1235-S1237 PolarHBondContact OG1-N 3.04Å; T1235-S1237 PolarHBondContact OG1-OG 2.85Å; S1237-K1239 PolarHBondContact O-N 3.27Å |
| 1238 | G | 68 | Low | 76.1 | Confident | 72 Ų | 72 | 66.9 Ų | 66.9 | 74% | 0.742 | 38% | 0.381 | S | S | * | . | S | Bend | trans | 77.9 | -13.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | T1235 | T1235-G1238 PolarHBondContact O-N 2.91Š|
| 1239 | K | 77.4 | Confident | 75.6 | Confident | 112 Ų | 112 | 73.6 Ų | 73.6 | 49% | 0.487 | 41% | 0.41 | S | S | . | . | trans | -75.9 | 140 | 175.6 | -63.9 | 177.2 | 164 | -170 | 0 | 112.3 | D1174 T1235 S1237 | D1174-K1239 HydrophobicContact CB-CD 4.42Å; D1174-K1239 VanDerWaalsContact OD2-CD 3.25Å; D1174-K1239 WeakPolarHBondContact OD2-CD 3.39Å; D1174-K1239 WeakPolarHBondContact OD2-CE 3.32Å; D1174-K1239 IonicContact OD2-NZ 2.76Å; D1174-K1239 PolarHBondContact OD2-NZ 3.13Å; T1235-K1239 WeakPolarHBondContact CB-O 3.3Å; T1235-K1239 WeakPolarHBondContact CG2-O 3.32Å; T1235-K1239 PolarHBondContact N-O 3.09Å; T1235-K1239 PolarHBondContact OG1-O 3.45Å; S1237-K1239 PolarHBondContact O-N 3.27Å | ||
| 1240 | L | 84.3 | Confident | 75.4 | Confident | 27 Ų | 27 | 71.9 Ų | 71.9 | 14% | 0.141 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 141.6 | 166.9 | -60.7 | 175.7 | 0 | 0 | 0 | 110.6 | V1168 D1174 T1189 V1232 | V1168-L1240 HydrophobicContact CB-CD1 4.39Å; V1168-L1240 HydrophobicContact CG1-CD1 3.95Å; V1168-L1240 HydrophobicContact CG2-CD1 3.9Å; D1174-L1240 PolarHBondContact N-O 2.96Å; T1189-L1240 HydrophobicContact CG2-CD1 4.2Å; V1232-L1240 HydrophobicContact CB-CB 4.33Å; V1232-L1240 HydrophobicContact CG2-CB 4.17Å; V1232-L1240 HydrophobicContact CG2-CD1 4.19Å; V1232-L1240 HydrophobicContact CG2-CD2 4.39Å; V1232-L1240 HydrophobicContact CG2-CG 4.49Å |
| 1241 | S | 81.5 | Confident | 75.1 | Confident | 36 Ų | 36 | 77.8 Ų | 77.8 | 25% | 0.252 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 153.5 | 178.4 | 67.1 | 0 | 0 | 0 | 0 | 112.1 | V1232 I1233 T1235 | V1232-S1241 VanDerWaalsContact CA-O 3.29Å; V1232-S1241 WeakPolarHBondContact CA-O 3.48Å; V1232-S1241 WeakPolarHBondContact CB-O 3.45Å; I1233-S1241 PolarHBondContact N-O 3.07Å; I1233-S1241 PolarHBondContact O-N 2.88Å; I1233-S1241 PolarHBondContact O-OG 3.14Å; T1235-S1241 VanDerWaalsContact CG2-OG 3.28Å; T1235-S1241 WeakPolarHBondContact CG2-OG 3.43Å |
| 1242 | V | 79.1 | Confident | 74.7 | Confident | 38 Ų | 38 | 76.5 Ų | 76.5 | 23% | 0.23 | 42% | 0.42 | C | S | . | . | trans | -84 | 123.2 | 175.1 | -171.5 | 0 | 0 | 0 | 0 | 109.7 | V1173 F1187 V1232 R1248 | V1173-V1242 HydrophobicContact CG1-CG2 3.7Å; F1187-V1242 HydrophobicContact CE1-CG2 4.21Å; F1187-V1242 HydrophobicContact CZ-CG2 4.48Å; V1232-V1242 HydrophobicContact CG1-CG2 4Å; V1242-R1248 HydrophobicContact CG1-CG 3.78Å | ||
| 1243 | P | 76.2 | Confident | 74 | Confident | 16 Ų | 16 | 82.5 Ų | 82.5 | 10% | 0.104 | 45% | 0.447 | C | S | . | . | trans | -61.2 | 142.7 | 177 | -23.8 | 34.2 | 0 | 0 | 0 | 113.3 | K1231 I1233 N1245 R1248 | K1231-P1243 WeakPolarHBondContact O-CD 3.21Å; I1233-P1243 HydrophobicContact CD1-CG 3.65Å; I1233-P1243 HydrophobicContact CG1-CG 3.84Å; P1243-N1245 VanDerWaalsContact C-N 3.28Å; P1243-N1245 VanDerWaalsContact CB-OD1 3.31Å; P1243-N1245 WeakPolarHBondContact CB-OD1 3.47Å; P1243-R1248 HydrophobicContact CB-CB 4.35Å; P1243-R1248 WeakPolarHBondContact O-CB 3.42Å | ||
| 1244 | E | 66.9 | Low | 73.6 | Confident | 178 Ų | 178 | 84.2 Ų | 84.2 | 83% | 0.832 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -79 | -8.8 | 172 | -80.5 | -149.6 | 128.6 | 0 | 0 | 113.5 | K737 | K737-E1244 IonicContact NZ-OE1 2.56Å; K737-E1244 PolarHBondContact NZ-OE1 2.72Å |
| 1245 | N | 63.4 | Low | 73.6 | Confident | 82 Ų | 82 | 84.1 Ų | 84.1 | 44% | 0.439 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -102.2 | -165.1 | -170.7 | 67.6 | 11.2 | 0 | 0 | 0 | 112.5 | P1243 E1247 R1248 | P1243-N1245 VanDerWaalsContact C-N 3.28Å; P1243-N1245 VanDerWaalsContact CB-OD1 3.31Å; P1243-N1245 WeakPolarHBondContact CB-OD1 3.47Å; N1245-E1247 VanDerWaalsContact C-N 3.27Å; N1245-E1247 VanDerWaalsContact ND2-CD 3.3Å; N1245-E1247 PolarHBondContact ND2-OE2 3.19Å; N1245-E1247 PolarHBondContact O-N 3Å; N1245-E1247 WeakPolarHBondContact OD1-CA 3.33Å; N1245-E1247 WeakPolarHBondContact OD1-CB 3.31Å; N1245-E1247 PolarHBondContact OD1-N 3.1Å; N1245-E1247 PolarHBondContact OD1-OE2 3Å; N1245-R1248 PolarHBondContact O-N 3.38Å |
| 1246 | S | 57.2 | Low | 73.9 | Confident | 108 Ų | 108 | 83.5 Ų | 83.5 | 76% | 0.755 | 44% | 0.444 | S | S | * | . | G | 310 helix | trans | -66.9 | -23.2 | 176.8 | 41.2 | 0 | 0 | 0 | 0 | 114.4 | R1248 K1249 | S1246-R1248 PolarHBondContact O-N 3.06Å; S1246-K1249 PolarHBondContact O-N 2.58Å |
| 1247 | E | 63.9 | Low | 74.5 | Confident | 100 Ų | 100 | 75 Ų | 75 | 47% | 0.467 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -71 | -12.6 | -178.4 | -52.6 | 168.1 | 152.3 | 0 | 0 | 112.2 | K1231 N1245 K1249 | K1231-E1247 WeakPolarHBondContact CE-O 3.47Å; K1231-E1247 VanDerWaalsContact CG-O 3.23Å; K1231-E1247 WeakPolarHBondContact CG-O 3.44Å; N1245-E1247 VanDerWaalsContact C-N 3.27Å; N1245-E1247 VanDerWaalsContact ND2-CD 3.3Å; N1245-E1247 PolarHBondContact ND2-OE2 3.19Å; N1245-E1247 PolarHBondContact O-N 3Å; N1245-E1247 WeakPolarHBondContact OD1-CA 3.33Å; N1245-E1247 WeakPolarHBondContact OD1-CB 3.31Å; N1245-E1247 PolarHBondContact OD1-N 3.1Å; N1245-E1247 PolarHBondContact OD1-OE2 3Å; E1247-K1249 PolarHBondContact O-N 2.93Å |
| 1248 | R | 80.2 | Confident | 75.1 | Confident | 106 Ų | 106 | 74 Ų | 74 | 40% | 0.4 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -52 | -38.2 | 169.8 | 175.4 | 175.4 | 168 | 154.1 | 4.7 | 112.3 | S1230 K1231 V1242 P1243 N1245 S1246 F1250 | S1230-R1248 CarbonylContact C-O 3.19Å; S1230-R1248 WeakPolarHBondContact CA-O 3.37Å; S1230-R1248 WeakPolarHBondContact CB-O 3.09Å; S1230-R1248 PolarHBondContact OG-NE 3.06Å; K1231-R1248 PolarHBondContact N-O 2.97Å; V1242-R1248 HydrophobicContact CG1-CG 3.78Å; P1243-R1248 HydrophobicContact CB-CB 4.35Å; P1243-R1248 WeakPolarHBondContact O-CB 3.42Å; N1245-R1248 PolarHBondContact O-N 3.38Å; S1246-R1248 PolarHBondContact O-N 3.06Å; R1248-F1250 PolarHBondContact O-N 3.12Å |
| 1249 | K | 80.2 | Confident | 75.5 | Confident | 142 Ų | 142 | 71.7 Ų | 71.7 | 62% | 0.617 | 36% | 0.361 | S | S | * | . | B | Isolated β-bridge | trans | -72.8 | 129.2 | -170.5 | -71.6 | -164.2 | 169.6 | -154.8 | 0 | 111.7 | S1246 E1247 | S1246-K1249 PolarHBondContact O-N 2.58Å; E1247-K1249 PolarHBondContact O-N 2.93Å |
| 1250 | F | 83.4 | Confident | 75.5 | Confident | 32 Ų | 32 | 69.5 Ų | 69.5 | 14% | 0.14 | 35% | 0.354 | C | S | . | . | trans | -106.3 | 137.6 | 166.7 | -174.6 | -104.6 | 0 | 0 | 0 | 109.3 | V1165 M1167 A1188 D1229 K1231 R1248 L1252 | V1165-F1250 HydrophobicContact CG1-CE2 4.39Å; V1165-F1250 HydrophobicContact CG1-CZ 4.25Å; V1165-F1250 HydrophobicContact CG2-CZ 4.44Å; M1167-F1250 HydrophobicContact CE-CE1 3.92Å; M1167-F1250 HydrophobicContact CE-CZ 4.19Å; A1188-F1250 HydrophobicContact CB-CB 4.19Å; A1188-F1250 HydrophobicContact CB-CD1 3.8Å; A1188-F1250 HydrophobicContact CB-CD2 3.4Å; A1188-F1250 VanDerWaalsContact CB-CD2 3.4Å; A1188-F1250 HydrophobicContact CB-CE1 3.93Å; A1188-F1250 HydrophobicContact CB-CE2 3.56Å; A1188-F1250 HydrophobicContact CB-CG 3.52Å; A1188-F1250 HydrophobicContact CB-CZ 3.82Å; D1229-F1250 PolarHBondContact O-N 3.32Å; K1231-F1250 HydrophobicContact CB-CB 4.13Å; K1231-F1250 HydrophobicContact CB-CD2 4.33Å; R1248-F1250 PolarHBondContact O-N 3.12Å; F1250-L1252 HydrophobicContact CD1-CG 4.26Å; F1250-L1252 HydrophobicContact CE1-CD2 3.85Å; F1250-L1252 HydrophobicContact CE1-CG 3.92Å | ||
| 1251 | K | 82.1 | Confident | 75.4 | Confident | 125 Ų | 125 | 74.3 Ų | 74.3 | 54% | 0.543 | 38% | 0.376 | S | S | . | . | trans | -115.5 | 118 | 171.8 | -69.6 | -178.8 | -178.3 | -178.2 | 0 | 108.1 | S144 K1253 | S144-K1251 WeakPolarHBondContact O-CD 3.44Å; S144-K1251 WeakPolarHBondContact O-CE 3.49Å; S144-K1251 PolarHBondContact O-NZ 3.29Å; K1251-K1253 PolarHBondContact O-N 3.25Å | ||
| 1252 | L | 81.3 | Confident | 75.5 | Confident | 32 Ų | 32 | 72.8 Ų | 72.8 | 17% | 0.168 | 37% | 0.365 | C | S | . | . | trans | -63.4 | 104.8 | 168.6 | -72 | 151.8 | 0 | 0 | 0 | 107.8 | M1167 I1206 L1207 F1250 V1254 | M1167-L1252 HydrophobicContact CE-CD2 4.4Å; I1206-L1252 HydrophobicContact CB-CD2 4.45Å; I1206-L1252 HydrophobicContact CG2-CD1 4.4Å; I1206-L1252 HydrophobicContact CG2-CD2 4.17Å; I1206-L1252 WeakPolarHBondContact O-CD1 3.37Å; L1207-L1252 VanDerWaalsContact C-CD1 3.4Å; F1250-L1252 HydrophobicContact CD1-CG 4.26Å; F1250-L1252 HydrophobicContact CE1-CD2 3.85Å; F1250-L1252 HydrophobicContact CE1-CG 3.92Å; L1252-V1254 PolarHBondContact O-N 3.11Å | ||
| 1253 | K | 75.3 | Confident | 75.9 | Confident | 127 Ų | 127 | 72.1 Ų | 72.1 | 55% | 0.552 | 36% | 0.361 | S | S | * | . | trans | -59.3 | 124 | 171.8 | -66.9 | 179.1 | 178.6 | 176.8 | 0 | 108.5 | S148 R1149 K1251 V1255 | S148-K1253 VanDerWaalsContact OG-CA 3.27Å; S148-K1253 WeakPolarHBondContact OG-CA 3.44Å; R1149-K1253 PolarHBondContact NH1-O 2.98Å; R1149-K1253 PolarHBondContact NH2-O 3.49Å; K1251-K1253 PolarHBondContact O-N 3.25Å; K1253-V1255 PolarHBondContact O-N 3.01Å | ||
| 1254 | V | 74.2 | Confident | 76.3 | Confident | 81 Ų | 81 | 73 Ų | 73 | 49% | 0.491 | 36% | 0.364 | S | S | . | . | trans | -60.5 | 131.3 | 170.1 | -165.9 | 0 | 0 | 0 | 0 | 107.9 | S148 L1252 Q1256 | S148-V1254 PolarHBondContact OG-N 2.85Å; L1252-V1254 PolarHBondContact O-N 3.11Å; V1254-Q1256 HydrophobicContact CB-CG 4.26Å; V1254-Q1256 HydrophobicContact CG1-CG 3.67Å | ||
| 1255 | V | 77.4 | Confident | 77.3 | Confident | 39 Ų | 39 | 67.4 Ų | 67.4 | 24% | 0.236 | 34% | 0.34 | C | S | . | . | trans | -130.8 | 141.4 | 175.2 | -175 | 0 | 0 | 0 | 0 | 108.6 | L1132 K1253 | L1132-V1255 VanDerWaalsContact C-CG1 3.47Å; L1132-V1255 HydrophobicContact CB-CG1 3.61Å; L1132-V1255 VanDerWaalsContact O-CG1 3.24Å; L1132-V1255 WeakPolarHBondContact O-CG1 3.33Å; K1253-V1255 PolarHBondContact O-N 3.01Å | ||
| 1256 | Q | 72 | Confident | 78.7 | Confident | 34 Ų | 34 | 63.5 Ų | 63.5 | 16% | 0.159 | 32% | 0.319 | C | S | . | . | cis | 135 | 73.5 | -31.2 | 64.2 | 149.4 | -135.8 | 0 | 0 | 117.2 | S152 P153 T154 V1254 | S152-Q1256 CarbonylContact C-O 3.57Å; S152-Q1256 VanDerWaalsContact C-O 3.28Å; S152-Q1256 WeakPolarHBondContact CA-O 3.42Å; S152-Q1256 WeakPolarHBondContact CB-O 3.36Å; S152-Q1256 WeakPolarHBondContact O-CB 3.24Å; S152-Q1256 VanDerWaalsContact O-CD 3.22Å; S152-Q1256 WeakPolarHBondContact O-CG 3.47Å; S152-Q1256 PolarHBondContact O-OE1 3.19Å; S152-Q1256 PolarHBondContact OG-O 3.13Å; P153-Q1256 VanDerWaalsContact N-O 3.1Å; P153-Q1256 PolarHBondContact O-NE2 3.3Å; P153-Q1256 VanDerWaalsContact O-NE2 3.07Å; T154-Q1256 WeakPolarHBondContact O-CB 3.46Å; T154-Q1256 PolarHBondContact O-NE2 3.33Å; T154-Q1256 WeakPolarHBondContact OG1-CA 3.35Å; T154-Q1256 VanDerWaalsContact OG1-CB 3.3Å; T154-Q1256 WeakPolarHBondContact OG1-CB 3.12Å; T154-Q1256 PolarHBondContact OG1-N 3.35Å; V1254-Q1256 HydrophobicContact CB-CG 4.26Å; V1254-Q1256 HydrophobicContact CG1-CG 3.67Å | ||
| 1257 | H | 77.9 | Confident | 80.3 | Confident | 4 Ų | 4 | 59.8 Ų | 59.8 | 2% | 0.019 | 29% | 0.292 | C | S | . | . | trans | -124.6 | 159.2 | -174.5 | -13.9 | -101.5 | 0 | 0 | 0 | 114.1 | P153 T154 E1121 L1132 V1262 | P153-H1257 CarbonylContact C-O 3.6Å; P153-H1257 VanDerWaalsContact CA-O 3.22Å; P153-H1257 WeakPolarHBondContact CA-O 3.36Å; T154-H1257 VanDerWaalsContact CA-O 3.32Å; T154-H1257 WeakPolarHBondContact CA-O 3.49Å; T154-H1257 WeakPolarHBondContact CB-O 3.38Å; T154-H1257 HydrophobicContact CG2-CB 3.82Å; T154-H1257 WeakPolarHBondContact CG2-O 3.48Å; T154-H1257 PolarHBondContact N-O 2.97Å; T154-H1257 PolarHBondContact OG1-CD2 3.16Å; T154-H1257 PolarHBondContact OG1-N 3.14Å; E1121-H1257 HydrophobicContact CB-CB 3.8Å; E1121-H1257 HydrophobicContact CG-CB 4.08Å; E1121-H1257 PolarHBondContact O-ND1 2.55Å; E1121-H1257 VanDerWaalsContact OE2-CB 3.24Å; E1121-H1257 WeakPolarHBondContact OE2-CB 3.39Å; L1132-H1257 PolarHBondContact N-CE1 2.97Å; L1132-H1257 PolarHBondContact O-CE1 2.94Å; H1257-V1262 HydrophobicContact CB-CG2 4.06Å; H1257-V1262 WeakPolarHBondContact CD2-CG1 3.17Å; H1257-V1262 VanDerWaalsContact NE2-CG1 3.3Å; H1257-V1262 WeakPolarHBondContact NE2-CG1 3.47Å | ||
| 1258 | V | 74.3 | Confident | 81.7 | Confident | 62 Ų | 62 | 55.6 Ų | 55.6 | 38% | 0.376 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -70.2 | -35.3 | -175 | -178.6 | 0 | 0 | 0 | 0 | 113.2 | P153 F156 E1121 | P153-V1258 HydrophobicContact CG-CG2 3.95Å; F156-V1258 WeakPolarHBondContact CD1-O 3.27Å; E1121-V1258 WeakPolarHBondContact OE1-CG2 3.28Å; E1121-V1258 PolarHBondContact OE1-N 2.67Å; E1121-V1258 PolarHBondContact OE2-N 3.04Å |
| 1259 | S | 77.5 | Confident | 82.3 | Confident | 24 Ų | 24 | 55 Ų | 55 | 17% | 0.168 | 27% | 0.27 | C | S | . | . | trans | -84.5 | 139.8 | -170.6 | -166.3 | 0 | 0 | 0 | 0 | 114.9 | T154 V1107 E1121 E1261 V1262 | T154-S1259 VanDerWaalsContact CG2-O 3.25Å; T154-S1259 WeakPolarHBondContact CG2-O 3.34Å; V1107-S1259 VanDerWaalsContact CG1-CB 3.48Å; E1121-S1259 PolarHBondContact OE2-N 3.31Å; E1121-S1259 VanDerWaalsContact OE2-N 3.08Å; S1259-E1261 PolarHBondContact O-N 2.75Å; S1259-E1261 WeakPolarHBondContact OG-CB 3.44Å; S1259-E1261 WeakPolarHBondContact OG-CG 3.45Å; S1259-E1261 PolarHBondContact OG-N 3.08Å; S1259-E1261 VanDerWaalsContact OG-N 3.16Å; S1259-E1261 PolarHBondContact OG-OE2 3.44Å; S1259-V1262 PolarHBondContact O-N 3.35Å | ||
| 1260 | D | 76.2 | Confident | 82.7 | Confident | 66 Ų | 66 | 49 Ų | 49 | 35% | 0.353 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -13.9 | 165.8 | -70.3 | 25.4 | 0 | 0 | 0 | 112.5 | F156 T157 | F156-D1260 WeakPolarHBondContact CB-OD1 3.48Å; F156-D1260 WeakPolarHBondContact CD1-OD1 3.29Å; F156-D1260 WeakPolarHBondContact O-CA 3.5Å; F156-D1260 VanDerWaalsContact O-CB 3.22Å; F156-D1260 WeakPolarHBondContact O-CB 3.46Å; F156-D1260 VanDerWaalsContact O-OD1 3.05Å; T157-D1260 WeakPolarHBondContact CA-OD2 3.37Å; T157-D1260 HydrophobicContact CG2-CB 4.39Å |
| 1261 | E | 82.5 | Confident | 82.7 | Confident | 129 Ų | 129 | 53.2 Ų | 53.2 | 60% | 0.603 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -9.2 | -177.3 | -60.3 | 171.2 | 146.9 | 0 | 0 | 114.8 | V1107 S1259 | V1107-E1261 HydrophobicContact CG2-CB 3.89Å; S1259-E1261 PolarHBondContact O-N 2.75Å; S1259-E1261 WeakPolarHBondContact OG-CB 3.44Å; S1259-E1261 WeakPolarHBondContact OG-CG 3.45Å; S1259-E1261 PolarHBondContact OG-N 3.08Å; S1259-E1261 VanDerWaalsContact OG-N 3.16Å; S1259-E1261 PolarHBondContact OG-OE2 3.44Å |
| 1262 | V | 85.1 | Confident | 82.5 | Confident | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.018 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -81.4 | 128.3 | 177.9 | -177.2 | 0 | 0 | 0 | 0 | 110.1 | T154 V1107 E1121 Q1122 K1131 H1257 S1259 D1264 | T154-V1262 HydrophobicContact CG2-CB 4.26Å; V1107-V1262 HydrophobicContact CB-CG2 4.01Å; V1107-V1262 HydrophobicContact CG1-CG2 4Å; V1107-V1262 HydrophobicContact CG2-CG2 3.84Å; E1121-V1262 HydrophobicContact CB-CG2 4.1Å; Q1122-V1262 HydrophobicContact CB-CG1 4.03Å; Q1122-V1262 HydrophobicContact CB-CG2 4Å; Q1122-V1262 HydrophobicContact CG-CG1 4.49Å; K1131-V1262 HydrophobicContact CB-CG1 4.11Å; K1131-V1262 HydrophobicContact CD-CG1 3.93Å; H1257-V1262 HydrophobicContact CB-CG2 4.06Å; H1257-V1262 WeakPolarHBondContact CD2-CG1 3.17Å; H1257-V1262 VanDerWaalsContact NE2-CG1 3.3Å; H1257-V1262 WeakPolarHBondContact NE2-CG1 3.47Å; S1259-V1262 PolarHBondContact O-N 3.35Å; V1262-D1264 PolarHBondContact O-N 3.23Å |
| 1263 | L | 85.8 | Confident | 82.3 | Confident | 25 Ų | 25 | 54.4 Ų | 54.4 | 13% | 0.131 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 121.1 | -170.1 | -170.8 | 68.8 | 0 | 0 | 0 | 111.9 | M1102 R1104 Q1122 K1131 | M1102-L1263 HydrophobicContact CB-CD2 4.05Å; M1102-L1263 HydrophobicContact CE-CD1 3.93Å; M1102-L1263 HydrophobicContact SD-CD1 3.73Å; R1104-L1263 HydrophobicContact CG-CB 4.35Å; R1104-L1263 HydrophobicContact CG-CD2 4.19Å; R1104-L1263 VanDerWaalsContact NE-CD2 3.33Å; Q1122-L1263 VanDerWaalsContact OE1-N 3.15Å; K1131-L1263 PolarHBondContact NZ-O 3.11Å |
| 1264 | D | 85.5 | Confident | 82.5 | Confident | 35 Ų | 35 | 49.6 Ų | 49.6 | 19% | 0.187 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 149.6 | 175.8 | -142.7 | -10.7 | 0 | 0 | 0 | 112 | V155 R831 Y882 V1262 | V155-D1264 HydrophobicContact CB-CB 4.23Å; V155-D1264 HydrophobicContact CG2-CB 3.63Å; V155-D1264 WeakPolarHBondContact CG2-OD1 3.49Å; R831-D1264 VanDerWaalsContact CZ-O 3.25Å; R831-D1264 PolarHBondContact NH1-O 3.4Å; R831-D1264 PolarHBondContact NH2-O 3.33Å; Y882-D1264 PolarHBondContact OH-OD2 2.81Å; V1262-D1264 PolarHBondContact O-N 3.23Å |
| 1265 | D | 87.8 | Confident | 82.4 | Confident | 59 Ų | 59 | 51.2 Ų | 51.2 | 32% | 0.316 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -89.9 | 129.1 | 176.2 | -63.8 | -51.9 | 0 | 0 | 0 | 111.4 | K1131 V1267 | K1131-D1265 WeakPolarHBondContact CE-OD2 3.34Å; K1131-D1265 IonicContact NZ-OD1 2.84Å; K1131-D1265 PolarHBondContact NZ-OD1 3.41Å; K1131-D1265 IonicContact NZ-OD2 3.27Å; K1131-D1265 PolarHBondContact NZ-OD2 2.99Å; D1265-V1267 PolarHBondContact O-N 2.97Å |
| 1266 | E | 92.4 | Very high | 82.4 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 129.5 | 167.6 | -66.7 | -158.1 | 163.6 | 0 | 0 | 110.6 | R831 L832 D833 L881 Y882 S883 P1217 T1218 | R831-E1266 VanDerWaalsContact CA-OE2 3.23Å; R831-E1266 WeakPolarHBondContact CA-OE2 3.33Å; R831-E1266 HydrophobicContact CB-CG 4.23Å; R831-E1266 HydrophobicContact CG-CG 4.37Å; L832-E1266 WeakPolarHBondContact CA-OE1 3.19Å; L832-E1266 WeakPolarHBondContact CB-OE1 3.25Å; L832-E1266 PolarHBondContact N-OE1 3.25Å; L832-E1266 PolarHBondContact N-OE2 2.75Å; D833-E1266 PolarHBondContact N-OE1 3.22Å; L881-E1266 HydrophobicContact CD1-CB 4.44Å; Y882-E1266 VanDerWaalsContact O-CA 3.31Å; Y882-E1266 WeakPolarHBondContact O-CA 3.23Å; Y882-E1266 WeakPolarHBondContact O-CB 3.38Å; S883-E1266 WeakPolarHBondContact CB-OE1 3.39Å; S883-E1266 PolarHBondContact OG-OE1 3.29Å; P1217-E1266 CarbonylContact C-O 3.09Å; P1217-E1266 VanDerWaalsContact CA-O 3.29Å; P1217-E1266 WeakPolarHBondContact CA-O 3.45Å; T1218-E1266 HydrophobicContact CG2-CB 3.88Å; T1218-E1266 PolarHBondContact N-O 3.41Å; T1218-E1266 WeakPolarHBondContact OG1-CB 3.42Å |
| 1267 | V | 92.1 | Very high | 82.2 | Confident | 29 Ų | 29 | 52.8 Ų | 52.8 | 18% | 0.176 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 116 | -175.9 | -178.8 | 0 | 0 | 0 | 0 | 110.6 | L881 Y882 R1216 D1265 Y1269 | L881-V1267 WeakPolarHBondContact CA-O 3.43Å; Y882-V1267 PolarHBondContact N-O 2.89Å; Y882-V1267 PolarHBondContact O-N 3.48Å; R1216-V1267 CarbonylContact O-C 3.56Å; R1216-V1267 WeakPolarHBondContact O-CA 3.32Å; D1265-V1267 PolarHBondContact O-N 2.97Å; V1267-Y1269 HydrophobicContact CB-CE2 3.91Å; V1267-Y1269 HydrophobicContact CG1-CD2 4.15Å; V1267-Y1269 HydrophobicContact CG1-CE1 4.11Å; V1267-Y1269 HydrophobicContact CG1-CE2 3.65Å; V1267-Y1269 WeakPolarHBondContact O-CD2 3.25Å |
| 1268 | F | 93.4 | Very high | 82.2 | Confident | 13 Ų | 13 | 55.1 Ų | 55.1 | 6% | 0.057 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 123.7 | 170.9 | 177.2 | -108.6 | 0 | 0 | 0 | 110.3 | V772 A774 A777 V778 M781 W880 L881 S1215 R1216 T1218 F1270 | V772-F1268 HydrophobicContact CG1-CE1 4.09Å; A774-F1268 HydrophobicContact CB-CB 4.16Å; A774-F1268 HydrophobicContact CB-CD1 3.71Å; A774-F1268 HydrophobicContact CB-CG 4.23Å; A777-F1268 HydrophobicContact CB-CD2 4.46Å; A777-F1268 HydrophobicContact CB-CE1 3.99Å; A777-F1268 HydrophobicContact CB-CE2 3.8Å; A777-F1268 HydrophobicContact CB-CZ 3.52Å; V778-F1268 HydrophobicContact CG2-CB 4.47Å; V778-F1268 HydrophobicContact CG2-CD2 4.48Å; M781-F1268 HydrophobicContact CE-CD2 4.05Å; M781-F1268 HydrophobicContact CE-CE2 3.71Å; W880-F1268 WeakPolarHBondContact O-CD2 3.49Å; L881-F1268 HydrophobicContact CD1-CB 4.42Å; S1215-F1268 CarbonylContact C-O 3.56Å; S1215-F1268 WeakPolarHBondContact CA-O 3.22Å; S1215-F1268 WeakPolarHBondContact CB-O 3.19Å; R1216-F1268 PolarHBondContact N-O 2.79Å; R1216-F1268 PolarHBondContact O-N 3.07Å; T1218-F1268 HydrophobicContact CG2-CB 4.35Å; F1268-F1270 AromaticContact CD1-CD1 3.91Å; F1268-F1270 HydrophobicContact CD1-CD1 3.91Å; F1268-F1270 HydrophobicContact CD1-CE1 4.06Å; F1268-F1270 AromaticContact CE1-CD1 3.85Å; F1268-F1270 HydrophobicContact CE1-CD1 3.85Å; F1268-F1270 HydrophobicContact CE1-CE1 4.25Å |
| 1269 | Y | 91.8 | Very high | 82.4 | Confident | 93 Ų | 93 | 56.8 Ų | 56.8 | 37% | 0.365 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 128.2 | -179.7 | -71.9 | -83.8 | 0 | 0 | 0 | 111.5 | E879 W880 V1267 K1271 | E879-Y1269 WeakPolarHBondContact O-CB 3.17Å; W880-Y1269 PolarHBondContact O-N 2.86Å; V1267-Y1269 HydrophobicContact CB-CE2 3.91Å; V1267-Y1269 HydrophobicContact CG1-CD2 4.15Å; V1267-Y1269 HydrophobicContact CG1-CE1 4.11Å; V1267-Y1269 HydrophobicContact CG1-CE2 3.65Å; V1267-Y1269 WeakPolarHBondContact O-CD2 3.25Å; Y1269-K1271 PolarHBondContact O-N 2.83Å |
| 1270 | F | 89.2 | Confident | 82.4 | Confident | 16 Ų | 16 | 57.5 Ų | 57.5 | 7% | 0.07 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -71 | 117.6 | -175.2 | -59.4 | -10.9 | 0 | 0 | 0 | 110.9 | V772 C1213 S1214 R1216 F1268 K1272 P1273 I1274 | V772-F1270 HydrophobicContact CB-CD1 4.44Å; V772-F1270 HydrophobicContact CB-CE1 3.82Å; V772-F1270 HydrophobicContact CB-CE2 4.18Å; V772-F1270 HydrophobicContact CB-CZ 3.65Å; V772-F1270 HydrophobicContact CG1-CD1 3.74Å; V772-F1270 HydrophobicContact CG1-CE1 3.39Å; V772-F1270 HydrophobicContact CG1-CE2 4.49Å; V772-F1270 HydrophobicContact CG1-CG 4.41Å; V772-F1270 HydrophobicContact CG1-CZ 3.8Å; V772-F1270 HydrophobicContact CG2-CD2 4.33Å; V772-F1270 HydrophobicContact CG2-CE1 4.37Å; V772-F1270 HydrophobicContact CG2-CE2 4.01Å; V772-F1270 HydrophobicContact CG2-CZ 4.01Å; C1213-F1270 VanDerWaalsContact O-CD2 3.3Å; C1213-F1270 WeakPolarHBondContact O-CD2 3.46Å; S1214-F1270 WeakPolarHBondContact O-CB 3.27Å; S1214-F1270 WeakPolarHBondContact O-CG 3.49Å; S1214-F1270 PolarHBondContact O-N 3.15Å; R1216-F1270 HydrophobicContact CB-CE1 4.46Å; R1216-F1270 HydrophobicContact CG-CE1 3.73Å; R1216-F1270 HydrophobicContact CG-CZ 3.68Å; F1268-F1270 AromaticContact CD1-CD1 3.91Å; F1268-F1270 HydrophobicContact CD1-CD1 3.91Å; F1268-F1270 HydrophobicContact CD1-CE1 4.06Å; F1268-F1270 AromaticContact CE1-CD1 3.85Å; F1268-F1270 HydrophobicContact CE1-CD1 3.85Å; F1268-F1270 HydrophobicContact CE1-CE1 4.25Å; F1270-K1272 WeakPolarHBondContact CB-O 3.45Å; F1270-K1272 CarbonylContact O-C 3.47Å; F1270-K1272 WeakPolarHBondContact O-CA 3.45Å; F1270-K1272 PolarHBondContact O-N 3.37Å; F1270-P1273 WeakPolarHBondContact O-CD 3.32Å; F1270-I1274 HydrophobicContact CD2-CG1 4.37Å; F1270-I1274 HydrophobicContact CD2-CG2 4Å; F1270-I1274 HydrophobicContact CE2-CD1 4.12Å; F1270-I1274 HydrophobicContact CE2-CG1 4.03Å; F1270-I1274 HydrophobicContact CE2-CG2 4Å |
| 1271 | K | 83.8 | Confident | 82.5 | Confident | 121 Ų | 121 | 54.5 Ų | 54.5 | 53% | 0.526 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -50.3 | -22.7 | 175.5 | -55.8 | -172.8 | -172.4 | -169.5 | 0 | 113.7 | W880 Y1269 | W880-K1271 HydrophobicContact CD2-CD 4.04Å; W880-K1271 HydrophobicContact CD2-CG 4.11Å; W880-K1271 HydrophobicContact CE3-CD 4.23Å; W880-K1271 VanDerWaalsContact CE3-NZ 3.27Å; W880-K1271 HydrophobicContact CG-CG 4.15Å; W880-K1271 HydrophobicContact CH2-CD 4.42Å; W880-K1271 HydrophobicContact CZ2-CD 4.21Å; W880-K1271 HydrophobicContact CZ3-CD 4.43Å; Y1269-K1271 PolarHBondContact O-N 2.83Å |
| 1272 | K | 75.9 | Confident | 82.3 | Confident | 136 Ų | 136 | 50.7 Ų | 50.7 | 59% | 0.591 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -138.4 | 119.6 | 157 | -60.7 | 174.7 | -172.8 | 164.9 | 0 | 107.3 | F1270 | F1270-K1272 WeakPolarHBondContact CB-O 3.45Å; F1270-K1272 CarbonylContact O-C 3.47Å; F1270-K1272 WeakPolarHBondContact O-CA 3.45Å; F1270-K1272 PolarHBondContact O-N 3.37Å |
| 1273 | P | 78.3 | Confident | 82 | Confident | 45 Ų | 45 | 53.3 Ų | 53.3 | 29% | 0.292 | 27% | 0.267 | S | S | . | . | trans | -51.5 | 141.6 | 171.4 | -13.5 | 9.1 | 0 | 0 | 0 | 112.1 | R620 C1213 F1270 | R620-P1273 PolarHBondContact NH1-O 3.21Å; R620-P1273 VanDerWaalsContact NH2-CD 3.28Å; R620-P1273 VanDerWaalsContact NH2-N 3.17Å; R620-P1273 PolarHBondContact NH2-O 2.83Å; C1213-P1273 CarbonylContact O-C 3.53Å; C1213-P1273 VanDerWaalsContact O-C 3.26Å; C1213-P1273 WeakPolarHBondContact O-CA 3.35Å; C1213-P1273 WeakPolarHBondContact O-CB 3.49Å; F1270-P1273 WeakPolarHBondContact O-CD 3.32Å | ||
| 1274 | I | 80.4 | Confident | 81.4 | Confident | 26 Ų | 26 | 52.2 Ų | 52.2 | 13% | 0.133 | 26% | 0.261 | C | S | . | . | trans | -70.5 | 173.7 | 177.2 | 60.4 | 175 | 0 | 0 | 0 | 111.7 | V772 Y1212 C1213 F1270 | V772-I1274 HydrophobicContact CG2-CG2 3.62Å; Y1212-I1274 HydrophobicContact CD1-CD1 4.14Å; Y1212-I1274 HydrophobicContact CE1-CD1 3.96Å; C1213-I1274 PolarHBondContact O-N 2.86Å; F1270-I1274 HydrophobicContact CD2-CG1 4.37Å; F1270-I1274 HydrophobicContact CD2-CG2 4Å; F1270-I1274 HydrophobicContact CE2-CD1 4.12Å; F1270-I1274 HydrophobicContact CE2-CG1 4.03Å; F1270-I1274 HydrophobicContact CE2-CG2 4Å | ||
| 1275 | T | 71.1 | Confident | 80.5 | Confident | 116 Ų | 116 | 56.2 Ų | 56.2 | 71% | 0.712 | 28% | 0.28 | S | S | * | . | trans | -108.6 | 117.2 | 168 | -61.9 | 0 | 0 | 0 | 0 | 107.7 | E1277 | T1275-E1277 PolarHBondContact O-N 2.97Š| ||
| 1276 | L | 77 | Confident | 79.2 | Confident | 29 Ų | 29 | 61.1 Ų | 61.1 | 15% | 0.152 | 30% | 0.298 | C | S | . | . | trans | -67.6 | 127.6 | 173.9 | -101.1 | 174.3 | 0 | 0 | 0 | 110.6 | Y1182 V1209 Y1212 V1227 | Y1182-L1276 HydrophobicContact CD1-CB 3.77Å; Y1182-L1276 HydrophobicContact CD1-CD1 4.33Å; Y1182-L1276 HydrophobicContact CD1-CD2 4.13Å; Y1182-L1276 HydrophobicContact CD1-CG 4.31Å; Y1182-L1276 HydrophobicContact CE1-CB 3.81Å; Y1182-L1276 HydrophobicContact CG-CD1 4.4Å; Y1182-L1276 HydrophobicContact CG-CD2 4.32Å; V1209-L1276 HydrophobicContact CB-CD1 4.39Å; V1209-L1276 HydrophobicContact CG1-CD1 4.06Å; V1209-L1276 HydrophobicContact CG2-CD1 4.36Å; Y1212-L1276 HydrophobicContact CD1-CD1 3.84Å; Y1212-L1276 HydrophobicContact CD1-CD2 3.6Å; Y1212-L1276 HydrophobicContact CD1-CG 3.71Å; Y1212-L1276 HydrophobicContact CE1-CD2 3.47Å; Y1212-L1276 VanDerWaalsContact CE1-CD2 3.47Å; Y1212-L1276 HydrophobicContact CE1-CG 4.08Å; Y1212-L1276 HydrophobicContact CG-CD1 4.32Å; V1227-L1276 HydrophobicContact CG2-CD1 4.09Å | ||
| 1277 | E | 68.3 | Low | 77.3 | Confident | 76 Ų | 76 | 67.9 Ų | 67.9 | 36% | 0.355 | 32% | 0.324 | S | S | . | . | trans | -104.4 | 153.6 | 178.8 | -65.2 | -177.2 | 169.5 | 0 | 0 | 111.1 | R764 Y1182 T1275 | R764-E1277 IonicContact CZ-OE1 2.72Å; R764-E1277 IonicContact CZ-OE2 3.74Å; R764-E1277 IonicContact NH1-OE1 3.11Å; R764-E1277 IonicContact NH1-OE2 2.87Å; R764-E1277 PolarHBondContact NH1-OE2 3.22Å; R764-E1277 IonicContact NH2-OE1 3.29Å; R764-E1277 PolarHBondContact NH2-OE1 2.95Å; R764-E1277 IonicContact NH2-OE2 3.51Å; R764-E1277 PolarHBondContact NH2-OE2 2.66Å; Y1182-E1277 WeakPolarHBondContact CA-O 3.24Å; T1275-E1277 PolarHBondContact O-N 2.97Å | ||
| 1278 | K | 78.5 | Confident | 75 | Confident | 54 Ų | 54 | 73.7 Ų | 73.7 | 24% | 0.235 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 136.1 | 175.2 | -67.2 | -175.2 | 156.7 | -67.3 | 0 | 113 | R760 L1180 F1181 Y1182 E1185 | R760-K1278 PolarHBondContact NH1-O 3.26Å; L1180-K1278 HydrophobicContact CB-CB 3.93Å; L1180-K1278 HydrophobicContact CB-CD 3.97Å; L1180-K1278 WeakPolarHBondContact O-CD 3.49Å; L1180-K1278 WeakPolarHBondContact O-CE 3.21Å; L1180-K1278 PolarHBondContact O-NZ 2.8Å; F1181-K1278 CarbonylContact O-C 3.55Å; F1181-K1278 WeakPolarHBondContact O-CA 3.46Å; F1181-K1278 WeakPolarHBondContact O-CB 3.4Å; Y1182-K1278 HydrophobicContact CD1-CD 4.2Å; Y1182-K1278 HydrophobicContact CD1-CG 3.42Å; Y1182-K1278 VanDerWaalsContact CD1-CG 3.42Å; Y1182-K1278 HydrophobicContact CE1-CD 4.03Å; Y1182-K1278 HydrophobicContact CE1-CG 3.63Å; Y1182-K1278 HydrophobicContact CG-CG 4.08Å; Y1182-K1278 VanDerWaalsContact CZ-CE 3.43Å; E1185-K1278 IonicContact OE1-NZ 2.69Å; E1185-K1278 IonicContact OE2-NZ 2.89Å; E1185-K1278 PolarHBondContact OE2-NZ 3.02Å |
| 1279 | E | 76.8 | Confident | 72.6 | Confident | 96 Ų | 96 | 77 Ų | 77 | 45% | 0.449 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 152.6 | 173 | -63.8 | 177.3 | 178.4 | 0 | 0 | 109.1 | L1180 F1181 K1183 | L1180-E1279 WeakPolarHBondContact CA-O 3.22Å; F1181-E1279 PolarHBondContact N-O 2.85Å; F1181-E1279 PolarHBondContact O-N 3.39Å; K1183-E1279 WeakPolarHBondContact CD-OE1 3.36Å |
| 1280 | P | 78.2 | Confident | 69.8 | Low | 40 Ų | 40 | 79.3 Ų | 79.3 | 26% | 0.26 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 157.3 | -179.7 | -17.7 | 32.6 | 0 | 0 | 0 | 113.2 | F757 L1180 L1284 | F757-P1280 HydrophobicContact CB-CG 3.97Å; F757-P1280 HydrophobicContact CD1-CG 4.21Å; F757-P1280 HydrophobicContact CD2-CB 4.04Å; F757-P1280 HydrophobicContact CD2-CG 3.56Å; F757-P1280 HydrophobicContact CE2-CB 4.32Å; F757-P1280 HydrophobicContact CE2-CG 4.08Å; F757-P1280 HydrophobicContact CG-CG 3.64Å; L1180-P1280 HydrophobicContact CD2-CB 4.49Å; P1280-L1284 HydrophobicContact CB-CB 4.36Å; P1280-L1284 HydrophobicContact CB-CD2 3.63Å; P1280-L1284 HydrophobicContact CG-CD2 4.39Å |
| 1281 | S | 79.2 | Confident | 67.2 | Low | 2 Ų | 2 | 83.9 Ų | 83.9 | 1% | 0.014 | 40% | 0.397 | C | S | . | . | trans | -45.5 | 135.4 | 169.6 | 168.9 | 0 | 0 | 0 | 0 | 112.5 | H1175 P1177 C1179 F1283 L1284 | H1175-S1281 PolarHBondContact CD2-OG 2.91Å; H1175-S1281 WeakPolarHBondContact NE2-CB 3.24Å; H1175-S1281 PolarHBondContact NE2-OG 3.45Å; P1177-S1281 WeakPolarHBondContact O-CB 3.47Å; C1179-S1281 PolarHBondContact O-N 3.36Å; S1281-F1283 PolarHBondContact O-N 3.36Å; S1281-F1283 VanDerWaalsContact O-N 3.08Å; S1281-F1283 WeakPolarHBondContact OG-CB 3.37Å; S1281-F1283 PolarHBondContact OG-N 3.29Å; S1281-L1284 VanDerWaalsContact O-CB 3.3Å; S1281-L1284 WeakPolarHBondContact O-CB 3.49Å; S1281-L1284 PolarHBondContact O-N 2.86Å | ||
| 1282 | P | 77.7 | Confident | 64.7 | Low | 49 Ų | 49 | 84.1 Ų | 84.1 | 32% | 0.318 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -56.3 | -21 | 168.5 | -25.7 | 35.2 | 0 | 0 | 0 | 114 | A1171 K1286 | A1171-P1282 HydrophobicContact CB-CG 4.47Å; P1282-K1286 WeakPolarHBondContact O-CD 3.47Å; P1282-K1286 WeakPolarHBondContact O-CG 3.47Å |
| 1283 | F | 78.6 | Confident | 62.7 | Low | 59 Ų | 59 | 85.7 Ų | 85.7 | 26% | 0.259 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -83.1 | -20.1 | 175.3 | -52.4 | -37 | 0 | 0 | 0 | 113 | H1175 S1281 M1285 K1286 | H1175-F1283 AromaticContact CD2-CD2 3.97Å; H1175-F1283 AromaticContact CE1-CD2 3.42Å; H1175-F1283 VanDerWaalsContact CE1-CD2 3.42Å; H1175-F1283 WeakPolarHBondContact CE1-CD2 3.4Å; H1175-F1283 AromaticContact CE1-CE2 3.2Å; H1175-F1283 WeakPolarHBondContact CE1-CE2 3.48Å; H1175-F1283 AromaticContact ND1-CD2 3.93Å; H1175-F1283 AromaticContact ND1-CE2 3.47Å; H1175-F1283 WeakPolarHBondContact ND1-CE2 3.3Å; H1175-F1283 AromaticContact NE2-CD2 3.45Å; H1175-F1283 WeakPolarHBondContact NE2-CD2 3.24Å; H1175-F1283 AromaticContact NE2-CE2 3.76Å; S1281-F1283 PolarHBondContact O-N 3.36Å; S1281-F1283 VanDerWaalsContact O-N 3.08Å; S1281-F1283 WeakPolarHBondContact OG-CB 3.37Å; S1281-F1283 PolarHBondContact OG-N 3.29Å; F1283-M1285 VanDerWaalsContact C-N 3.29Å; F1283-M1285 PolarHBondContact O-N 3.34Å; F1283-K1286 PolarHBondContact O-N 2.82Å |
| 1284 | L | 74.4 | Confident | 60.4 | Low | 1 Ų | 1 | 88.7 Ų | 88.7 | 1% | 0.005 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -58.9 | -42 | 179.6 | -173.8 | 60.8 | 0 | 0 | 0 | 111.4 | V750 R754 F757 P1177 P1280 S1281 | V750-L1284 HydrophobicContact CG1-CD1 3.86Å; R754-L1284 HydrophobicContact CG-CD1 3.87Å; R754-L1284 HydrophobicContact CG-CD2 4.32Å; R754-L1284 HydrophobicContact CG-CG 3.87Å; R754-L1284 PolarHBondContact NE-O 2.98Å; R754-L1284 PolarHBondContact NH2-O 3.17Å; F757-L1284 HydrophobicContact CD2-CD2 3.91Å; F757-L1284 HydrophobicContact CE2-CD2 4.41Å; P1177-L1284 HydrophobicContact CB-CD1 4.46Å; P1177-L1284 WeakPolarHBondContact O-CB 3.33Å; P1280-L1284 HydrophobicContact CB-CB 4.36Å; P1280-L1284 HydrophobicContact CB-CD2 3.63Å; P1280-L1284 HydrophobicContact CG-CD2 4.39Å; S1281-L1284 VanDerWaalsContact O-CB 3.3Å; S1281-L1284 WeakPolarHBondContact O-CB 3.49Å; S1281-L1284 PolarHBondContact O-N 2.86Å |
| 1285 | M | 65.7 | Low | 58 | Low | 119 Ų | 119 | 92.1 Ų | 92.1 | 59% | 0.586 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -86.7 | -21 | -178.1 | -64 | -57.9 | -173.3 | 0 | 0 | 114.1 | F1283 | F1283-M1285 VanDerWaalsContact C-N 3.29Å; F1283-M1285 PolarHBondContact O-N 3.34Å |
| 1286 | K | 60.4 | Low | 56.2 | Low | 162 Ų | 162 | 91.7 Ų | 91.7 | 70% | 0.704 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -82.8 | -16 | -168.7 | -75.1 | -177 | 178.4 | -173.8 | 0 | 116.2 | P1282 F1283 | P1282-K1286 WeakPolarHBondContact O-CD 3.47Å; P1282-K1286 WeakPolarHBondContact O-CG 3.47Å; F1283-K1286 PolarHBondContact O-N 2.82Å |
| 1287 | R | 52.9 | Low | 53.9 | Low | 144 Ų | 144 | 95.5 Ų | 95.5 | 54% | 0.543 | 49% | 0.487 | S | S | . | . | trans | -93.8 | 106.8 | 177.6 | -73.8 | -174.6 | 177.2 | 167.1 | 1.4 | 112.4 | R754 | R754-R1287 VanDerWaalsContact CZ-O 3.31Å; R754-R1287 PolarHBondContact NH1-O 3.12Å; R754-R1287 PolarHBondContact NH2-O 3.14Å | ||
| 1288 | K | 43.9 | Very low | 52 | Low | 150 Ų | 150 | 96.4 Ų | 96.4 | 65% | 0.652 | 50% | 0.502 | S | S | * | . | trans | -64.7 | 144.7 | 156.1 | -69 | -179.3 | 178.9 | 176 | 0 | 108.7 | ||||
| 1289 | F | 41.8 | Very low | 49.7 | Very low | 84 Ų | 84 | 102.1 Ų | 102.1 | 37% | 0.368 | 53% | 0.529 | S | S | . | . | trans | -121.2 | 102.8 | 171.4 | -90.9 | -64.8 | 0 | 0 | 0 | 107 | K747 | K747-F1289 HydrophobicContact CD-CE1 4.23Å; K747-F1289 HydrophobicContact CG-CE1 4.13Å; K747-F1289 HydrophobicContact CG-CE2 4.38Å; K747-F1289 HydrophobicContact CG-CZ 3.93Å | ||
| 1290 | D | 34.8 | Very low | 47.8 | Very low | 140 Ų | 140 | 105.6 Ų | 105.6 | 75% | 0.749 | 55% | 0.55 | S | S | * | * | trans | -80.7 | 121.7 | -177.8 | -59.6 | -43.3 | 0 | 0 | 0 | 110.1 | V1292 | D1290-V1292 PolarHBondContact O-N 2.97Š| ||
| 1291 | Y | 33.5 | Very low | 45.5 | Very low | 112 Ų | 112 | 111.3 Ų | 111.3 | 44% | 0.439 | 58% | 0.577 | S | S | . | * | trans | -95.3 | 76.8 | -166.4 | -137.5 | -104.7 | 0 | 0 | 0 | 110.6 | D674 R678 Y1293 | D674-Y1291 HydrophobicContact CB-CE1 4.23Å; D674-Y1291 WeakPolarHBondContact OD2-CE1 3.41Å; D674-Y1291 PolarHBondContact OD2-OH 3.19Å; R678-Y1291 PolarHBondContact NH2-OH 3.17Å; Y1291-Y1293 PolarHBondContact O-N 3.13Å | ||
| 1292 | V | 31.9 | Very low | 43.2 | Very low | 126 Ų | 126 | 116.1 Ų | 116.1 | 76% | 0.764 | 62% | 0.616 | S | S | * | * | trans | -78.8 | 101.2 | 178.6 | -176.3 | 0 | 0 | 0 | 0 | 110.1 | D1290 | D1290-V1292 PolarHBondContact O-N 2.97Š| ||
| 1293 | Y | 32.6 | Very low | 41.1 | Very low | 170 Ų | 170 | 117.8 Ų | 117.8 | 67% | 0.667 | 64% | 0.643 | S | S | * | * | trans | -80.4 | 128.4 | 174.5 | -146.5 | -86.4 | 0 | 0 | 0 | 109.9 | Y1291 | Y1291-Y1293 PolarHBondContact O-N 3.13Š| ||
| 1294 | S | 31.9 | Very low | 38.8 | Very low | 107 Ų | 107 | 120.5 Ų | 120.5 | 75% | 0.748 | 67% | 0.669 | S | S | * | * | trans | -146.1 | 89.5 | 179 | -68.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1295 | S | 29 | Very low | 36.9 | Very low | 98 Ų | 98 | 125.9 Ų | 125.9 | 69% | 0.685 | 70% | 0.704 | S | S | * | * | trans | -69.4 | 164.1 | 157.5 | -125.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1296 | P | 32.6 | Very low | 35.1 | Very low | 107 Ų | 107 | 129.7 Ų | 129.7 | 70% | 0.695 | 72% | 0.721 | S | S | * | * | cis | -149.5 | 178.7 | 36.7 | 43.5 | -23.7 | 0 | 0 | 0 | 118.6 | ||||
| 1297 | C | 28.4 | Very low | 33.8 | Very low | 109 Ų | 109 | 125.4 Ų | 125.4 | 74% | 0.736 | 72% | 0.722 | S | S | * | * | trans | 65.9 | 132.4 | 151.2 | -76.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1298 | S | 28.7 | Very low | 32.6 | Very low | 95 Ų | 95 | 124.6 Ų | 124.6 | 66% | 0.664 | 74% | 0.739 | S | S | * | * | cis | 97.5 | 157.3 | 49.1 | -65.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1299 | H | 31.9 | Very low | 32 | Very low | 174 Ų | 174 | 123.7 Ų | 123.7 | 81% | 0.806 | 75% | 0.746 | S | S | * | * | trans | 72.9 | 137.8 | -160.2 | -44.1 | -73.7 | 0 | 0 | 0 | 112.6 | ||||
| 1300 | L | 34.9 | Very low | 31.7 | Very low | 170 Ų | 170 | 125 Ų | 125 | 89% | 0.89 | 76% | 0.763 | S | S | * | * | cis | -122.8 | 179.5 | 13.5 | -72.4 | 164 | 0 | 0 | 0 | 113.3 | ||||
| 1301 | I | 31.5 | Very low | 31.6 | Very low | 159 Ų | 159 | 123.6 Ų | 123.6 | 82% | 0.815 | 75% | 0.751 | S | S | * | * | trans | -136.8 | 154.4 | -160.3 | -77 | 170.9 | 0 | 0 | 0 | 113.1 | ||||
| 1302 | A | 31.4 | Very low | 31.8 | Very low | 103 Ų | 103 | 123.2 Ų | 123.2 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | trans | 76.2 | 146 | 161.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1303 | G | 33.2 | Very low | 32.5 | Very low | 85 Ų | 85 | 123.3 Ų | 123.3 | 88% | 0.876 | 75% | 0.753 | S | S | * | * | trans | 150.3 | 61.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1304 | S | 29.6 | Very low | 33.2 | Very low | 116 Ų | 116 | 119.7 Ų | 119.7 | 81% | 0.811 | 75% | 0.748 | S | S | * | * | trans | -101.7 | 155.1 | 169.5 | 61.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 1305 | P | 35.2 | Very low | 33.7 | Very low | 114 Ų | 114 | 117.4 Ų | 117.4 | 74% | 0.74 | 74% | 0.736 | S | S | * | * | -144 | 160.9 | 64.6 | 39.5 | -21 | 0 | 0 | 0 | 118.1 | |||||
| 1306 | E | 27.4 | Very low | 34.8 | Very low | 199 Ų | 199 | 117.8 Ų | 117.8 | 93% | 0.93 | 73% | 0.727 | S | S | * | * | trans | 20.1 | 114.8 | 144.5 | -55.7 | -175.9 | 166.8 | 0 | 0 | 120.4 | ||||
| 1307 | G | 32 | Very low | 36 | Very low | 71 Ų | 71 | 120 Ų | 120 | 73% | 0.732 | 73% | 0.726 | S | S | * | * | trans | -162.2 | 117.7 | 163 | 0 | 0 | 0 | 0 | 0 | 111.2 | V1309 | G1307-V1309 PolarHBondContact O-N 3.39Š| ||
| 1308 | S | 28.6 | Very low | 37.3 | Very low | 128 Ų | 128 | 123 Ų | 123 | 90% | 0.895 | 72% | 0.721 | S | S | * | * | trans | -75.7 | 116.6 | -171.8 | 57.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1309 | V | 32.3 | Very low | 38.8 | Very low | 131 Ų | 131 | 119.8 Ų | 119.8 | 79% | 0.794 | 70% | 0.697 | S | S | * | * | trans | -127.3 | 135.2 | 175.2 | -175.7 | 0 | 0 | 0 | 0 | 110.1 | G1307 | G1307-V1309 PolarHBondContact O-N 3.39Š| ||
| 1310 | P | 33.9 | Very low | 40.1 | Very low | 112 Ų | 112 | 117.9 Ų | 117.9 | 73% | 0.727 | 69% | 0.692 | S | S | * | * | trans | -71.4 | 157.7 | -171.2 | -20.3 | 33.8 | 0 | 0 | 0 | 115.7 | ||||
| 1311 | E | 32.7 | Very low | 41.2 | Very low | 110 Ų | 110 | 118.2 Ų | 118.2 | 51% | 0.514 | 69% | 0.687 | S | S | . | * | trans | -54.7 | 138 | -179.4 | -79 | -154.5 | 114.4 | 0 | 0 | 114.4 | K1313 V1314 | E1311-K1313 PolarHBondContact O-N 2.88Å; E1311-K1313 WeakPolarHBondContact OE1-CE 3.32Å; E1311-K1313 IonicContact OE1-NZ 3.97Å; E1311-K1313 PolarHBondContact OE1-NZ 2.9Å; E1311-K1313 WeakPolarHBondContact OE2-CD 3.5Å; E1311-K1313 IonicContact OE2-NZ 3.34Å; E1311-K1313 PolarHBondContact OE2-NZ 3.2Å; E1311-V1314 PolarHBondContact O-N 3.32Å | ||
| 1312 | P | 39.2 | Very low | 42.7 | Very low | 103 Ų | 103 | 112.4 Ų | 112.4 | 67% | 0.669 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -62.5 | -20.5 | 179.4 | 24.9 | -34.4 | 0 | 0 | 0 | 114 | V1314 A1315 Q1316 | P1312-V1314 PolarHBondContact O-N 3.39Å; P1312-V1314 VanDerWaalsContact O-N 3.17Å; P1312-A1315 PolarHBondContact O-N 3.44Å; P1312-Q1316 PolarHBondContact O-N 3.07Å |
| 1313 | K | 45.7 | Very low | 44.1 | Very low | 128 Ų | 128 | 109.5 Ų | 109.5 | 56% | 0.557 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -58 | -27.6 | 178.2 | -61.1 | 175 | -166.7 | 147.8 | 0 | 113.1 | E1311 K1317 | E1311-K1313 PolarHBondContact O-N 2.88Å; E1311-K1313 WeakPolarHBondContact OE1-CE 3.32Å; E1311-K1313 IonicContact OE1-NZ 3.97Å; E1311-K1313 PolarHBondContact OE1-NZ 2.9Å; E1311-K1313 WeakPolarHBondContact OE2-CD 3.5Å; E1311-K1313 IonicContact OE2-NZ 3.34Å; E1311-K1313 PolarHBondContact OE2-NZ 3.2Å; K1313-K1317 PolarHBondContact O-N 3.29Å |
| 1314 | V | 46.6 | Very low | 45.3 | Very low | 94 Ų | 94 | 114.6 Ų | 114.6 | 57% | 0.57 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -76.7 | -43 | -178.5 | -175.8 | 0 | 0 | 0 | 0 | 111.6 | E1311 P1312 K1317 R1318 | E1311-V1314 PolarHBondContact O-N 3.32Å; P1312-V1314 PolarHBondContact O-N 3.39Å; P1312-V1314 VanDerWaalsContact O-N 3.17Å; V1314-K1317 PolarHBondContact O-N 2.98Å; V1314-R1318 PolarHBondContact O-N 3.29Å |
| 1315 | A | 42.5 | Very low | 46.9 | Very low | 60 Ų | 60 | 109.3 Ų | 109.3 | 50% | 0.496 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63.8 | -42.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | P1312 K1317 R1318 L1319 | P1312-A1315 PolarHBondContact O-N 3.44Å; A1315-K1317 VanDerWaalsContact C-N 3.28Å; A1315-K1317 PolarHBondContact O-N 3.28Å; A1315-R1318 PolarHBondContact O-N 3.12Å; A1315-R1318 VanDerWaalsContact O-N 3.11Å; A1315-L1319 PolarHBondContact O-N 3.01Å; A1315-L1319 VanDerWaalsContact O-N 3.08Å |
| 1316 | Q | 53.6 | Low | 48.1 | Very low | 106 Ų | 106 | 107.7 Ų | 107.7 | 50% | 0.495 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66.4 | -28.4 | 179 | -137.7 | 171.1 | 23.4 | 0 | 0 | 112.7 | P1312 N1320 | P1312-Q1316 PolarHBondContact O-N 3.07Å; Q1316-N1320 PolarHBondContact O-ND2 3.32Å |
| 1317 | K | 55.9 | Low | 49.7 | Very low | 154 Ų | 154 | 100 Ų | 100 | 67% | 0.67 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.1 | -48.8 | 167.4 | -89.4 | -175.3 | 174.3 | -179.2 | 0 | 112 | K1313 V1314 A1315 L1319 N1320 F1321 | K1313-K1317 PolarHBondContact O-N 3.29Å; V1314-K1317 PolarHBondContact O-N 2.98Å; A1315-K1317 VanDerWaalsContact C-N 3.28Å; A1315-K1317 PolarHBondContact O-N 3.28Å; K1317-L1319 PolarHBondContact O-N 3.12Å; K1317-N1320 PolarHBondContact O-N 3.34Å; K1317-F1321 WeakPolarHBondContact O-CD2 3.35Å |
| 1318 | R | 56.3 | Low | 51.2 | Low | 172 Ų | 172 | 107 Ų | 107 | 65% | 0.649 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -58.5 | -48.2 | 178.9 | -81.3 | -172.1 | 170.3 | -173.1 | -1.5 | 112.3 | V1314 A1315 N1320 F1321 | V1314-R1318 PolarHBondContact O-N 3.29Å; A1315-R1318 PolarHBondContact O-N 3.12Å; A1315-R1318 VanDerWaalsContact O-N 3.11Å; R1318-N1320 PolarHBondContact O-N 2.91Å; R1318-N1320 VanDerWaalsContact O-N 3.1Å; R1318-F1321 PolarHBondContact O-N 3.35Å |
| 1319 | L | 60 | Low | 52.8 | Low | 27 Ų | 27 | 101.9 Ų | 101.9 | 14% | 0.141 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -61.6 | -20.3 | -177.8 | -75.8 | 167.4 | 0 | 0 | 0 | 114.7 | A1315 K1317 E1385 R1386 A1389 | A1315-L1319 PolarHBondContact O-N 3.01Å; A1315-L1319 VanDerWaalsContact O-N 3.08Å; K1317-L1319 PolarHBondContact O-N 3.12Å; L1319-E1385 HydrophobicContact CD2-CB 4.33Å; L1319-R1386 HydrophobicContact CD2-CG 3.8Å; L1319-R1386 PolarHBondContact O-NH2 3.3Å; L1319-A1389 HydrophobicContact CD1-CB 3.66Å |
| 1320 | N | 59.7 | Low | 54.7 | Low | 133 Ų | 133 | 100.3 Ų | 100.3 | 71% | 0.711 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -79.7 | -22.9 | 175.8 | -82 | -37.9 | 0 | 0 | 0 | 114.1 | Q1316 K1317 R1318 | Q1316-N1320 PolarHBondContact O-ND2 3.32Å; K1317-N1320 PolarHBondContact O-N 3.34Å; R1318-N1320 PolarHBondContact O-N 2.91Å; R1318-N1320 VanDerWaalsContact O-N 3.1Å |
| 1321 | F | 59 | Low | 57.2 | Low | 177 Ų | 177 | 97.2 Ų | 97.2 | 78% | 0.776 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -92.4 | -16.1 | 179.1 | -75.9 | -80.4 | 0 | 0 | 0 | 113.9 | K1317 R1318 | K1317-F1321 WeakPolarHBondContact O-CD2 3.35Å; R1318-F1321 PolarHBondContact O-N 3.35Å |
| 1322 | M | 62.3 | Low | 59.9 | Low | 38 Ų | 38 | 92 Ų | 92 | 19% | 0.187 | 45% | 0.454 | C | S | . | . | S | Bend | trans | -82.4 | 153.5 | -178.5 | -60.4 | -174.5 | 97 | 0 | 0 | 112.9 | E1378 I1382 | M1322-E1378 VanDerWaalsContact CE-OE1 3.3Å; M1322-E1378 WeakPolarHBondContact CE-OE1 3.3Å; M1322-I1382 HydrophobicContact CE-CD1 3.87Å; M1322-I1382 HydrophobicContact CE-CG1 3.52Å; M1322-I1382 HydrophobicContact SD-CG1 4.23Å |
| 1323 | P | 61.6 | Low | 62.4 | Low | 41 Ų | 41 | 90.9 Ų | 90.9 | 27% | 0.266 | 44% | 0.437 | S | S | . | . | trans | -54.6 | 141.1 | 174.5 | -25.7 | 35.5 | 0 | 0 | 0 | 112.6 | L1325 L1335 A1338 V1339 | P1323-L1325 PolarHBondContact O-N 3.1Å; P1323-L1335 HydrophobicContact CB-CD1 4.27Å; P1323-L1335 HydrophobicContact CG-CD1 4.01Å; P1323-A1338 HydrophobicContact CB-CB 4.33Å; P1323-V1339 HydrophobicContact CG-CG2 4.29Å | ||
| 1324 | K | 57.6 | Low | 64.4 | Low | 193 Ų | 193 | 88.5 Ų | 88.5 | 84% | 0.839 | 43% | 0.429 | S | S | * | . | trans | -77.6 | 59.6 | -174.2 | -65.2 | -172.3 | 178 | -175.9 | 0 | 113.4 | ||||
| 1325 | L | 63.7 | Low | 66.4 | Low | 5 Ų | 5 | 84.3 Ų | 84.3 | 3% | 0.026 | 40% | 0.404 | C | S | . | . | trans | -63.3 | 139.2 | 163.9 | -72.6 | 168.6 | 0 | 0 | 0 | 110 | P1323 I1334 L1335 A1379 I1382 R1386 | P1323-L1325 PolarHBondContact O-N 3.1Å; L1325-I1334 HydrophobicContact CD2-CB 4.13Å; L1325-I1334 HydrophobicContact CD2-CG2 3.62Å; L1325-L1335 HydrophobicContact CD1-CB 4.15Å; L1325-L1335 HydrophobicContact CD1-CD1 4.03Å; L1325-A1379 HydrophobicContact CD1-CB 4.31Å; L1325-I1382 HydrophobicContact CB-CG2 4.07Å; L1325-I1382 HydrophobicContact CD1-CB 4.05Å; L1325-I1382 HydrophobicContact CD1-CD1 3.98Å; L1325-I1382 HydrophobicContact CD1-CG2 3.89Å; L1325-R1386 VanDerWaalsContact O-CD 3.26Å; L1325-R1386 WeakPolarHBondContact O-CD 3.49Å; L1325-R1386 PolarHBondContact O-NH1 3.32Å | ||
| 1326 | T | 59.9 | Low | 68.8 | Low | 80 Ų | 80 | 81.7 Ų | 81.7 | 49% | 0.491 | 38% | 0.381 | S | S | . | . | trans | -79.1 | 152.2 | 169.9 | 69.1 | 0 | 0 | 0 | 0 | 109.7 | R1328 S1329 | T1326-R1328 PolarHBondContact O-N 3.21Å; T1326-S1329 PolarHBondContact N-OG 3.44Å; T1326-S1329 PolarHBondContact O-N 3.07Å; T1326-S1329 PolarHBondContact O-OG 3.17Å; T1326-S1329 WeakPolarHBondContact OG1-CB 3.41Å; T1326-S1329 PolarHBondContact OG1-N 2.94Å; T1326-S1329 PolarHBondContact OG1-OG 3.41Å | ||
| 1327 | S | 61 | Low | 70.5 | Confident | 38 Ų | 38 | 77.1 Ų | 77.1 | 27% | 0.266 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -19.7 | 172.5 | 34.8 | 0 | 0 | 0 | 0 | 112.8 | D1390 | S1327-D1390 PolarHBondContact OG-OD2 2.83Š|
| 1328 | R | 62.7 | Low | 71.8 | Confident | 216 Ų | 216 | 71.7 Ų | 71.7 | 82% | 0.815 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -1.8 | 174.6 | -57 | -172.5 | -176.3 | -150.6 | 1.2 | 115.4 | T1326 | T1326-R1328 PolarHBondContact O-N 3.21Š|
| 1329 | S | 62.8 | Low | 73.2 | Confident | 21 Ų | 21 | 66.6 Ų | 66.6 | 15% | 0.147 | 33% | 0.333 | C | S | . | . | trans | -122.1 | 71.8 | -172.4 | 57.7 | 0 | 0 | 0 | 0 | 112.7 | T1326 S1331 | T1326-S1329 PolarHBondContact N-OG 3.44Å; T1326-S1329 PolarHBondContact O-N 3.07Å; T1326-S1329 PolarHBondContact O-OG 3.17Å; T1326-S1329 WeakPolarHBondContact OG1-CB 3.41Å; T1326-S1329 PolarHBondContact OG1-N 2.94Å; T1326-S1329 PolarHBondContact OG1-OG 3.41Å; S1329-S1331 PolarHBondContact O-N 3.18Å; S1329-S1331 VanDerWaalsContact O-N 3.1Å | ||
| 1330 | K | 72.3 | Confident | 74.5 | Confident | 98 Ų | 98 | 66.5 Ų | 66.5 | 43% | 0.426 | 33% | 0.333 | S | S | . | . | trans | -81.3 | 39 | -176.9 | -46.6 | -158.3 | 175.7 | -166.6 | 0 | 113.9 | A1383 E1387 | K1330-A1383 HydrophobicContact CB-CB 4.38Å; K1330-A1383 HydrophobicContact CD-CB 3.94Å; K1330-A1383 HydrophobicContact CG-CB 3.65Å; K1330-E1387 IonicContact NZ-OE2 3.89Å; K1330-E1387 PolarHBondContact NZ-OE2 2.94Å | ||
| 1331 | S | 85.1 | Confident | 75.9 | Confident | 48 Ų | 48 | 63.2 Ų | 63.2 | 34% | 0.336 | 31% | 0.311 | S | S | . | . | trans | -112.5 | 125.2 | -172 | 177.3 | 0 | 0 | 0 | 0 | 113.3 | S1329 Y1333 I1334 L1335 | S1329-S1331 PolarHBondContact O-N 3.18Å; S1329-S1331 VanDerWaalsContact O-N 3.1Å; S1331-Y1333 VanDerWaalsContact C-N 3.32Å; S1331-Y1333 PolarHBondContact O-N 3.25Å; S1331-I1334 PolarHBondContact O-N 3.29Å; S1331-L1335 PolarHBondContact O-N 3.01Å | ||
| 1332 | G | 89.5 | Confident | 77 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60 | -37.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | I1334 L1335 F1336 Y1375 | G1332-I1334 VanDerWaalsContact C-N 3.28Å; G1332-I1334 PolarHBondContact O-N 2.98Å; G1332-L1335 PolarHBondContact O-N 3.34Å; G1332-F1336 WeakPolarHBondContact O-CB 3.3Å; G1332-F1336 PolarHBondContact O-N 2.78Å; G1332-Y1375 VanDerWaalsContact CA-O 3.25Å; G1332-Y1375 WeakPolarHBondContact CA-O 3.45Å |
| 1333 | Y | 91.9 | Very high | 78.2 | Confident | 79 Ų | 79 | 66.9 Ų | 66.9 | 31% | 0.31 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.1 | -34.8 | 173.7 | 175.8 | -108.6 | 0 | 0 | 0 | 112.6 | S1331 F1336 S1337 V1360 W1364 | S1331-Y1333 VanDerWaalsContact C-N 3.32Å; S1331-Y1333 PolarHBondContact O-N 3.25Å; Y1333-F1336 HydrophobicContact CD2-CD1 4.41Å; Y1333-S1337 WeakPolarHBondContact O-CB 3.45Å; Y1333-S1337 PolarHBondContact O-N 3.36Å; Y1333-V1360 HydrophobicContact CE2-CG1 4.35Å; Y1333-W1364 HydrophobicContact CD2-CB 3.92Å; Y1333-W1364 AromaticContact CD2-CD1 3.75Å; Y1333-W1364 AromaticContact CD2-CD2 3.71Å; Y1333-W1364 HydrophobicContact CD2-CD2 3.71Å; Y1333-W1364 HydrophobicContact CD2-CE3 4.31Å; Y1333-W1364 AromaticContact CD2-CG 3.51Å; Y1333-W1364 HydrophobicContact CD2-CG 3.51Å; Y1333-W1364 HydrophobicContact CE2-CB 3.94Å; Y1333-W1364 HydrophobicContact CE2-CG 4.01Å |
| 1334 | I | 87.8 | Confident | 79.4 | Confident | 78 Ų | 78 | 65.1 Ų | 65.1 | 40% | 0.4 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -71.9 | -39.2 | 178.4 | -59.4 | 179.9 | 0 | 0 | 0 | 110.4 | L1325 S1331 G1332 S1337 A1338 | L1325-I1334 HydrophobicContact CD2-CB 4.13Å; L1325-I1334 HydrophobicContact CD2-CG2 3.62Å; S1331-I1334 PolarHBondContact O-N 3.29Å; G1332-I1334 VanDerWaalsContact C-N 3.28Å; G1332-I1334 PolarHBondContact O-N 2.98Å; I1334-S1337 PolarHBondContact O-N 3.16Å; I1334-A1338 WeakPolarHBondContact O-CB 3.35Å; I1334-A1338 PolarHBondContact O-N 3.14Å |
| 1335 | L | 89 | Confident | 80.7 | Confident | 7 Ų | 7 | 60.7 Ų | 60.7 | 4% | 0.037 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.6 | -52.3 | 172.4 | 178.4 | 60.1 | 0 | 0 | 0 | 111.3 | P1323 L1325 S1331 G1332 S1337 A1338 V1339 Y1375 E1378 A1379 I1382 | P1323-L1335 HydrophobicContact CB-CD1 4.27Å; P1323-L1335 HydrophobicContact CG-CD1 4.01Å; L1325-L1335 HydrophobicContact CD1-CB 4.15Å; L1325-L1335 HydrophobicContact CD1-CD1 4.03Å; S1331-L1335 PolarHBondContact O-N 3.01Å; G1332-L1335 PolarHBondContact O-N 3.34Å; L1335-S1337 VanDerWaalsContact C-N 3.32Å; L1335-S1337 PolarHBondContact O-N 2.97Å; L1335-A1338 PolarHBondContact O-N 3.27Å; L1335-A1338 VanDerWaalsContact O-N 3.11Å; L1335-V1339 HydrophobicContact CD1-CG2 4.4Å; L1335-V1339 WeakPolarHBondContact O-CG2 3.42Å; L1335-V1339 PolarHBondContact O-N 2.91Å; L1335-Y1375 HydrophobicContact CB-CD1 4.41Å; L1335-Y1375 HydrophobicContact CD2-CD1 3.98Å; L1335-Y1375 HydrophobicContact CG-CD1 3.98Å; L1335-E1378 HydrophobicContact CD2-CB 3.67Å; L1335-E1378 HydrophobicContact CD2-CG 3.42Å; L1335-E1378 VanDerWaalsContact CD2-CG 3.42Å; L1335-A1379 HydrophobicContact CB-CB 4.05Å; L1335-A1379 HydrophobicContact CD2-CB 4.22Å; L1335-I1382 HydrophobicContact CD1-CD1 3.88Å; L1335-I1382 HydrophobicContact CD2-CD1 4.24Å |
| 1336 | F | 92.9 | Very high | 81.6 | Confident | 5 Ų | 5 | 62 Ų | 62 | 2% | 0.022 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -53.7 | -48.7 | 175.3 | 174.1 | -91.8 | 0 | 0 | 0 | 111.3 | G1332 Y1333 A1338 V1339 V1340 V1360 E1363 W1364 L1367 Y1375 | G1332-F1336 WeakPolarHBondContact O-CB 3.3Å; G1332-F1336 PolarHBondContact O-N 2.78Å; Y1333-F1336 HydrophobicContact CD2-CD1 4.41Å; F1336-A1338 VanDerWaalsContact C-N 3.32Å; F1336-A1338 PolarHBondContact O-N 2.8Å; F1336-V1339 PolarHBondContact O-N 2.99Å; F1336-V1340 HydrophobicContact CD1-CB 4.49Å; F1336-V1340 HydrophobicContact CD2-CG2 3.74Å; F1336-V1340 HydrophobicContact CE1-CB 4.15Å; F1336-V1340 HydrophobicContact CE1-CG1 4.36Å; F1336-V1340 HydrophobicContact CE1-CG2 4.33Å; F1336-V1340 HydrophobicContact CE2-CB 4.21Å; F1336-V1340 HydrophobicContact CE2-CG1 4.46Å; F1336-V1340 HydrophobicContact CE2-CG2 3.54Å; F1336-V1340 HydrophobicContact CG-CG2 4.25Å; F1336-V1340 HydrophobicContact CZ-CB 4.01Å; F1336-V1340 HydrophobicContact CZ-CG1 3.99Å; F1336-V1340 HydrophobicContact CZ-CG2 3.85Å; F1336-V1340 WeakPolarHBondContact O-CB 3.29Å; F1336-V1340 PolarHBondContact O-N 3.28Å; F1336-V1360 HydrophobicContact CD1-CG1 4.35Å; F1336-V1360 HydrophobicContact CE1-CG1 4.13Å; F1336-V1360 WeakPolarHBondContact CE1-O 3.47Å; F1336-E1363 HydrophobicContact CE1-CB 4.34Å; F1336-E1363 HydrophobicContact CZ-CB 3.76Å; F1336-W1364 HydrophobicContact CB-CE3 3.66Å; F1336-W1364 HydrophobicContact CB-CZ3 3.66Å; F1336-W1364 HydrophobicContact CD1-CB 4.01Å; F1336-W1364 HydrophobicContact CD1-CD2 4.36Å; F1336-W1364 AromaticContact CD1-CE3 3.69Å; F1336-W1364 HydrophobicContact CD1-CE3 3.69Å; F1336-W1364 AromaticContact CD2-CE3 3.78Å; F1336-W1364 HydrophobicContact CD2-CE3 3.78Å; F1336-W1364 HydrophobicContact CD2-CZ3 4.17Å; F1336-W1364 HydrophobicContact CE1-CB 3.69Å; F1336-W1364 HydrophobicContact CE1-CE3 4.27Å; F1336-W1364 HydrophobicContact CE2-CE3 4.32Å; F1336-W1364 HydrophobicContact CG-CD2 4.48Å; F1336-W1364 AromaticContact CG-CE3 3.43Å; F1336-W1364 HydrophobicContact CG-CE3 3.43Å; F1336-W1364 VanDerWaalsContact CG-CE3 3.43Å; F1336-W1364 AromaticContact CG-CZ3 3.9Å; F1336-W1364 HydrophobicContact CG-CZ3 3.9Å; F1336-W1364 HydrophobicContact CZ-CB 4.24Å; F1336-L1367 HydrophobicContact CD2-CD1 3.71Å; F1336-L1367 HydrophobicContact CE2-CD1 3.61Å; F1336-L1367 HydrophobicContact CE2-CD2 4.24Å; F1336-L1367 HydrophobicContact CE2-CG 3.97Å; F1336-L1367 HydrophobicContact CZ-CD1 4.5Å; F1336-Y1375 HydrophobicContact CB-CD1 3.89Å; F1336-Y1375 HydrophobicContact CB-CD2 4.48Å; F1336-Y1375 HydrophobicContact CB-CE1 4.08Å; F1336-Y1375 HydrophobicContact CB-CG 4.12Å; F1336-Y1375 HydrophobicContact CD2-CD2 4.1Å; F1336-Y1375 HydrophobicContact CD2-CE1 4.17Å; F1336-Y1375 AromaticContact CD2-CE2 3.69Å; F1336-Y1375 HydrophobicContact CD2-CE2 3.69Å; F1336-Y1375 AromaticContact CD2-CZ 3.72Å; F1336-Y1375 HydrophobicContact CE2-CE2 4.42Å |
| 1337 | S | 89 | Confident | 82.9 | Confident | 9 Ų | 9 | 63.4 Ų | 63.4 | 6% | 0.063 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.6 | -39.4 | 177.7 | -168.3 | 0 | 0 | 0 | 0 | 111.9 | Y1333 I1334 L1335 V1339 R1341 | Y1333-S1337 WeakPolarHBondContact O-CB 3.45Å; Y1333-S1337 PolarHBondContact O-N 3.36Å; I1334-S1337 PolarHBondContact O-N 3.16Å; L1335-S1337 VanDerWaalsContact C-N 3.32Å; L1335-S1337 PolarHBondContact O-N 2.97Å; S1337-V1339 VanDerWaalsContact C-N 3.34Å; S1337-V1339 PolarHBondContact O-N 2.89Å; S1337-R1341 WeakPolarHBondContact O-CB 3.44Å; S1337-R1341 PolarHBondContact O-N 3.45Å; S1337-R1341 VanDerWaalsContact O-N 3.07Å; S1337-R1341 PolarHBondContact OG-NH1 3.27Å |
| 1338 | A | 84.6 | Confident | 84 | Confident | 40 Ų | 40 | 64 Ų | 64 | 33% | 0.331 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -69.8 | -27.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | P1323 I1334 L1335 F1336 | P1323-A1338 HydrophobicContact CB-CB 4.33Å; I1334-A1338 WeakPolarHBondContact O-CB 3.35Å; I1334-A1338 PolarHBondContact O-N 3.14Å; L1335-A1338 PolarHBondContact O-N 3.27Å; L1335-A1338 VanDerWaalsContact O-N 3.11Å; F1336-A1338 VanDerWaalsContact C-N 3.32Å; F1336-A1338 PolarHBondContact O-N 2.8Å |
| 1339 | V | 84.9 | Confident | 85 | Confident | 66 Ų | 66 | 56.5 Ų | 56.5 | 40% | 0.4 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -85.1 | -60.7 | 175.2 | 175.4 | 0 | 0 | 0 | 0 | 110.5 | P1323 L1335 F1336 S1337 R1341 K1342 | P1323-V1339 HydrophobicContact CG-CG2 4.29Å; L1335-V1339 HydrophobicContact CD1-CG2 4.4Å; L1335-V1339 WeakPolarHBondContact O-CG2 3.42Å; L1335-V1339 PolarHBondContact O-N 2.91Å; F1336-V1339 PolarHBondContact O-N 2.99Å; S1337-V1339 VanDerWaalsContact C-N 3.34Å; S1337-V1339 PolarHBondContact O-N 2.89Å; V1339-R1341 PolarHBondContact O-N 3.12Å; V1339-K1342 WeakPolarHBondContact O-CB 3.44Å; V1339-K1342 PolarHBondContact O-N 2.87Å |
| 1340 | V | 88 | Confident | 86 | Confident | 25 Ų | 25 | 61.2 Ų | 61.2 | 15% | 0.152 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -75.8 | -26.5 | -168.3 | -176.5 | 0 | 0 | 0 | 0 | 112.7 | F1336 K1342 K1343 I1344 | F1336-V1340 HydrophobicContact CD1-CB 4.49Å; F1336-V1340 HydrophobicContact CD2-CG2 3.74Å; F1336-V1340 HydrophobicContact CE1-CB 4.15Å; F1336-V1340 HydrophobicContact CE1-CG1 4.36Å; F1336-V1340 HydrophobicContact CE1-CG2 4.33Å; F1336-V1340 HydrophobicContact CE2-CB 4.21Å; F1336-V1340 HydrophobicContact CE2-CG1 4.46Å; F1336-V1340 HydrophobicContact CE2-CG2 3.54Å; F1336-V1340 HydrophobicContact CG-CG2 4.25Å; F1336-V1340 HydrophobicContact CZ-CB 4.01Å; F1336-V1340 HydrophobicContact CZ-CG1 3.99Å; F1336-V1340 HydrophobicContact CZ-CG2 3.85Å; F1336-V1340 WeakPolarHBondContact O-CB 3.29Å; F1336-V1340 PolarHBondContact O-N 3.28Å; V1340-K1342 PolarHBondContact O-N 3.17Å; V1340-K1343 PolarHBondContact O-N 2.87Å; V1340-K1343 VanDerWaalsContact O-N 3.09Å; V1340-I1344 HydrophobicContact CG1-CD1 3.76Å; V1340-I1344 HydrophobicContact CG1-CG1 4.18Å; V1340-I1344 PolarHBondContact O-N 3.49Å |
| 1341 | R | 88.3 | Confident | 86.4 | Confident | 63 Ų | 63 | 58 Ų | 58 | 24% | 0.238 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.5 | -33.7 | 170.5 | -176.5 | -178.2 | -83.4 | 120 | -7 | 111.6 | S1337 V1339 M1345 I1356 S1357 V1360 | S1337-R1341 WeakPolarHBondContact O-CB 3.44Å; S1337-R1341 PolarHBondContact O-N 3.45Å; S1337-R1341 VanDerWaalsContact O-N 3.07Å; S1337-R1341 PolarHBondContact OG-NH1 3.27Å; V1339-R1341 PolarHBondContact O-N 3.12Å; R1341-M1345 HydrophobicContact CG-CG 4.02Å; R1341-M1345 HydrophobicContact CG-SD 3.73Å; R1341-M1345 VanDerWaalsContact O-CB 3.23Å; R1341-M1345 WeakPolarHBondContact O-CB 3.28Å; R1341-M1345 WeakPolarHBondContact O-CG 3.04Å; R1341-M1345 PolarHBondContact O-N 3.06Å; R1341-I1356 HydrophobicContact CG-CG2 3.79Å; R1341-S1357 PolarHBondContact NH2-OG 2.8Å; R1341-V1360 HydrophobicContact CB-CG2 3.91Å; R1341-V1360 HydrophobicContact CG-CG2 4.33Å |
| 1342 | K | 81.5 | Confident | 86.2 | Confident | 163 Ų | 163 | 59.1 Ų | 59.1 | 71% | 0.709 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -64.4 | -41.7 | 175.9 | -65.9 | -178.4 | 179.4 | 178 | 0 | 111.9 | V1339 V1340 A1346 | V1339-K1342 WeakPolarHBondContact O-CB 3.44Å; V1339-K1342 PolarHBondContact O-N 2.87Å; V1340-K1342 PolarHBondContact O-N 3.17Å; K1342-A1346 WeakPolarHBondContact O-CB 3.33Å; K1342-A1346 PolarHBondContact O-N 3.14Å |
| 1343 | K | 87.2 | Confident | 85.8 | Confident | 129 Ų | 129 | 65.8 Ų | 65.8 | 56% | 0.561 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -65.8 | -49.7 | 176.8 | -179.5 | 177.4 | 169.1 | 178.7 | 0 | 110.8 | V1340 M1345 A1346 E1347 | V1340-K1343 PolarHBondContact O-N 2.87Å; V1340-K1343 VanDerWaalsContact O-N 3.09Å; K1343-M1345 VanDerWaalsContact C-N 3.34Å; K1343-M1345 PolarHBondContact O-N 2.79Å; K1343-A1346 CarbonylContact O-C 3.5Å; K1343-A1346 WeakPolarHBondContact O-CA 3.41Å; K1343-A1346 VanDerWaalsContact O-CB 3.28Å; K1343-A1346 WeakPolarHBondContact O-CB 3.45Å; K1343-A1346 PolarHBondContact O-N 3.29Å; K1343-E1347 WeakPolarHBondContact CE-OE1 3.49Å; K1343-E1347 IonicContact NZ-OE1 3.28Å; K1343-E1347 WeakPolarHBondContact O-CG 3.39Å; K1343-E1347 PolarHBondContact O-N 3.45Å |
| 1344 | I | 88.3 | Confident | 85.3 | Confident | 4 Ų | 4 | 64 Ų | 64 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.1 | -38.6 | 178.7 | -68.7 | 167.6 | 0 | 0 | 0 | 111.8 | V1340 A1346 E1347 N1348 I1356 I1359 V1360 E1363 | V1340-I1344 HydrophobicContact CG1-CD1 3.76Å; V1340-I1344 HydrophobicContact CG1-CG1 4.18Å; V1340-I1344 PolarHBondContact O-N 3.49Å; I1344-A1346 PolarHBondContact O-N 3.13Å; I1344-E1347 PolarHBondContact O-N 2.93Å; I1344-N1348 WeakPolarHBondContact O-CB 3.29Å; I1344-N1348 PolarHBondContact O-N 2.71Å; I1344-N1348 PolarHBondContact O-ND2 2.94Å; I1344-I1356 HydrophobicContact CG2-CD1 3.91Å; I1344-I1356 HydrophobicContact CG2-CG2 4.1Å; I1344-I1359 HydrophobicContact CD1-CB 4.18Å; I1344-I1359 HydrophobicContact CD1-CG2 3.68Å; I1344-I1359 HydrophobicContact CG1-CG2 4.05Å; I1344-I1359 HydrophobicContact CG2-CB 3.87Å; I1344-I1359 HydrophobicContact CG2-CD1 4.02Å; I1344-I1359 HydrophobicContact CG2-CG2 3.93Å; I1344-V1360 HydrophobicContact CD1-CB 4.22Å; I1344-V1360 HydrophobicContact CD1-CG2 3.58Å; I1344-E1363 HydrophobicContact CD1-CG 3.99Å |
| 1345 | M | 84.6 | Confident | 85.1 | Confident | 100 Ų | 100 | 65 Ų | 65 | 49% | 0.493 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -71.3 | -14.4 | 171.3 | -72 | -179.6 | 68.1 | 0 | 0 | 113.9 | R532 R1341 K1343 I1356 | R532-M1345 PolarHBondContact NH2-O 2.72Å; R1341-M1345 HydrophobicContact CG-CG 4.02Å; R1341-M1345 HydrophobicContact CG-SD 3.73Å; R1341-M1345 VanDerWaalsContact O-CB 3.23Å; R1341-M1345 WeakPolarHBondContact O-CB 3.28Å; R1341-M1345 WeakPolarHBondContact O-CG 3.04Å; R1341-M1345 PolarHBondContact O-N 3.06Å; K1343-M1345 VanDerWaalsContact C-N 3.34Å; K1343-M1345 PolarHBondContact O-N 2.79Å; M1345-I1356 HydrophobicContact CG-CD1 4.07Å; M1345-I1356 HydrophobicContact CG-CG1 4.2Å; M1345-I1356 HydrophobicContact CG-CG2 3.67Å; M1345-I1356 HydrophobicContact SD-CG2 4.49Å |
| 1346 | A | 83.2 | Confident | 85.2 | Confident | 33 Ų | 33 | 64.9 Ų | 64.9 | 27% | 0.273 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -85.4 | -33.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | R532 K1342 K1343 I1344 | R532-A1346 HydrophobicContact CB-CB 4.24Å; R532-A1346 VanDerWaalsContact CD-O 3.26Å; R532-A1346 WeakPolarHBondContact CD-O 3.44Å; R532-A1346 HydrophobicContact CG-CB 3.83Å; R532-A1346 PolarHBondContact NE-O 2.85Å; R532-A1346 VanDerWaalsContact NE-O 3.15Å; R532-A1346 PolarHBondContact NH1-O 3.01Å; R532-A1346 VanDerWaalsContact NH1-O 3.11Å; K1342-A1346 WeakPolarHBondContact O-CB 3.33Å; K1342-A1346 PolarHBondContact O-N 3.14Å; K1343-A1346 CarbonylContact O-C 3.5Å; K1343-A1346 WeakPolarHBondContact O-CA 3.41Å; K1343-A1346 VanDerWaalsContact O-CB 3.28Å; K1343-A1346 WeakPolarHBondContact O-CB 3.45Å; K1343-A1346 PolarHBondContact O-N 3.29Å; I1344-A1346 PolarHBondContact O-N 3.13Å |
| 1347 | E | 86.5 | Confident | 84.8 | Confident | 110 Ų | 110 | 66 Ų | 66 | 51% | 0.514 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -82.4 | -26.2 | 179.6 | -68.4 | 164.1 | 152.8 | 0 | 0 | 112.9 | K1343 I1344 | K1343-E1347 WeakPolarHBondContact CE-OE1 3.49Å; K1343-E1347 IonicContact NZ-OE1 3.28Å; K1343-E1347 WeakPolarHBondContact O-CG 3.39Å; K1343-E1347 PolarHBondContact O-N 3.45Å; I1344-E1347 PolarHBondContact O-N 2.93Å |
| 1348 | N | 84.9 | Confident | 84.8 | Confident | 50 Ų | 50 | 73 Ų | 73 | 27% | 0.267 | 39% | 0.386 | S | S | . | . | trans | -128 | 84.3 | -173.9 | -55.5 | -100.6 | 0 | 0 | 0 | 110.5 | I1344 I1356 | I1344-N1348 WeakPolarHBondContact O-CB 3.29Å; I1344-N1348 PolarHBondContact O-N 2.71Å; I1344-N1348 PolarHBondContact O-ND2 2.94Å; N1348-I1356 HydrophobicContact CB-CD1 3.85Å | ||
| 1349 | P | 82.7 | Confident | 85.1 | Confident | 59 Ų | 59 | 72.9 Ų | 72.9 | 38% | 0.383 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -61 | -53.2 | 178.3 | 13.1 | -16.5 | 0 | 0 | 0 | 113.5 | R532 S1351 | R532-P1349 VanDerWaalsContact NH1-CG 3.33Å; R532-P1349 VanDerWaalsContact NH2-CB 3.28Å; P1349-S1351 PolarHBondContact O-N 3.3Å |
| 1350 | D | 83.4 | Confident | 85.5 | Confident | 119 Ų | 119 | 69.7 Ų | 69.7 | 64% | 0.636 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -87 | 0.5 | -166 | -35.9 | -73.7 | 0 | 0 | 0 | 112.2 | S1352 | D1350-S1352 PolarHBondContact O-N 3.37Š|
| 1351 | S | 81.5 | Confident | 85.6 | Confident | 32 Ų | 32 | 69.5 Ų | 69.5 | 22% | 0.224 | 36% | 0.363 | C | S | . | . | trans | -75.5 | 121 | 176.3 | -88.5 | 0 | 0 | 0 | 0 | 111.8 | P1349 I1356 | P1349-S1351 PolarHBondContact O-N 3.3Å; S1351-I1356 WeakPolarHBondContact O-CG1 3.45Å | ||
| 1352 | S | 81.1 | Confident | 85.7 | Confident | 70 Ų | 70 | 69.5 Ų | 69.5 | 49% | 0.49 | 37% | 0.373 | S | S | . | . | trans | -56 | 153 | 173 | 73.2 | 0 | 0 | 0 | 0 | 112.4 | D1350 G1354 H1355 I1356 | D1350-S1352 PolarHBondContact O-N 3.37Å; S1352-G1354 PolarHBondContact O-N 3.46Å; S1352-H1355 WeakPolarHBondContact O-CA 3.4Å; S1352-H1355 WeakPolarHBondContact O-CB 3.3Å; S1352-H1355 PolarHBondContact O-N 2.84Å; S1352-I1356 WeakPolarHBondContact O-CG1 3.47Å; S1352-I1356 PolarHBondContact O-N 3.33Å | ||
| 1353 | F | 81.4 | Confident | 86.1 | Confident | 140 Ų | 140 | 64.5 Ų | 64.5 | 61% | 0.614 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -52.1 | -31.6 | 179.4 | 175 | -96 | 0 | 0 | 0 | 114 | S1357 | F1353-S1357 VanDerWaalsContact O-CB 3.31Å; F1353-S1357 WeakPolarHBondContact O-CB 3.41Å; F1353-S1357 PolarHBondContact O-N 2.71Å; F1353-S1357 PolarHBondContact O-OG 2.64Å |
| 1354 | G | 80.8 | Confident | 86.4 | Confident | 43 Ų | 43 | 60.3 Ų | 60.3 | 44% | 0.443 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -68.6 | -40.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113 | S1352 S1357 K1358 | S1352-G1354 PolarHBondContact O-N 3.46Å; G1354-S1357 PolarHBondContact O-N 2.97Å; G1354-K1358 WeakPolarHBondContact O-CG 3.33Å; G1354-K1358 PolarHBondContact O-N 2.65Å; G1354-K1358 VanDerWaalsContact O-N 3.11Å |
| 1355 | H | 84.1 | Confident | 86.6 | Confident | 98 Ų | 98 | 68.2 Ų | 68.2 | 45% | 0.454 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.8 | -49.7 | 173.9 | -160.8 | 121.9 | 0 | 0 | 0 | 110.8 | S1352 S1357 K1358 I1359 | S1352-H1355 WeakPolarHBondContact O-CA 3.4Å; S1352-H1355 WeakPolarHBondContact O-CB 3.3Å; S1352-H1355 PolarHBondContact O-N 2.84Å; H1355-S1357 PolarHBondContact O-N 2.79Å; H1355-K1358 WeakPolarHBondContact O-CA 3.37Å; H1355-K1358 WeakPolarHBondContact O-CB 3.46Å; H1355-K1358 PolarHBondContact O-N 3.37Å; H1355-I1359 PolarHBondContact O-N 2.89Å |
| 1356 | I | 89.7 | Confident | 86.8 | Confident | 4 Ų | 4 | 70.4 Ų | 70.4 | 2% | 0.021 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -50.1 | -46.4 | 173.6 | -64.2 | -66.2 | 0 | 0 | 0 | 111.3 | R1341 I1344 M1345 N1348 S1351 S1352 K1358 I1359 V1360 | R1341-I1356 HydrophobicContact CG-CG2 3.79Å; I1344-I1356 HydrophobicContact CG2-CD1 3.91Å; I1344-I1356 HydrophobicContact CG2-CG2 4.1Å; M1345-I1356 HydrophobicContact CG-CD1 4.07Å; M1345-I1356 HydrophobicContact CG-CG1 4.2Å; M1345-I1356 HydrophobicContact CG-CG2 3.67Å; M1345-I1356 HydrophobicContact SD-CG2 4.49Å; N1348-I1356 HydrophobicContact CB-CD1 3.85Å; S1351-I1356 WeakPolarHBondContact O-CG1 3.45Å; S1352-I1356 WeakPolarHBondContact O-CG1 3.47Å; S1352-I1356 PolarHBondContact O-N 3.33Å; I1356-K1358 VanDerWaalsContact C-N 3.34Å; I1356-K1358 PolarHBondContact O-N 2.91Å; I1356-I1359 PolarHBondContact O-N 3.46Å; I1356-V1360 HydrophobicContact CG2-CG2 4.5Å; I1356-V1360 VanDerWaalsContact O-CG2 3.32Å; I1356-V1360 WeakPolarHBondContact O-CG2 3.25Å; I1356-V1360 PolarHBondContact O-N 3.35Å |
| 1357 | S | 86 | Confident | 87.2 | Confident | 29 Ų | 29 | 70 Ų | 70 | 20% | 0.203 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -71.9 | -25.3 | -178.8 | -60.1 | 0 | 0 | 0 | 0 | 113.3 | R1341 F1353 G1354 H1355 G1361 | R1341-S1357 PolarHBondContact NH2-OG 2.8Å; F1353-S1357 VanDerWaalsContact O-CB 3.31Å; F1353-S1357 WeakPolarHBondContact O-CB 3.41Å; F1353-S1357 PolarHBondContact O-N 2.71Å; F1353-S1357 PolarHBondContact O-OG 2.64Å; G1354-S1357 PolarHBondContact O-N 2.97Å; H1355-S1357 PolarHBondContact O-N 2.79Å; S1357-G1361 PolarHBondContact O-N 2.76Å; S1357-G1361 VanDerWaalsContact O-N 3.07Å |
| 1358 | K | 89 | Confident | 87.3 | Confident | 157 Ų | 157 | 67.2 Ų | 67.2 | 68% | 0.683 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -66.8 | -46.8 | 167 | -73.8 | 177.8 | 179.1 | -178.6 | 0 | 111.4 | G1354 H1355 I1356 V1360 G1361 S1362 | G1354-K1358 WeakPolarHBondContact O-CG 3.33Å; G1354-K1358 PolarHBondContact O-N 2.65Å; G1354-K1358 VanDerWaalsContact O-N 3.11Å; H1355-K1358 WeakPolarHBondContact O-CA 3.37Å; H1355-K1358 WeakPolarHBondContact O-CB 3.46Å; H1355-K1358 PolarHBondContact O-N 3.37Å; I1356-K1358 VanDerWaalsContact C-N 3.34Å; I1356-K1358 PolarHBondContact O-N 2.91Å; K1358-V1360 PolarHBondContact O-N 3.15Å; K1358-G1361 CarbonylContact O-C 3.6Å; K1358-G1361 WeakPolarHBondContact O-CA 3.33Å; K1358-G1361 PolarHBondContact O-N 2.94Å; K1358-G1361 VanDerWaalsContact O-N 3.1Å; K1358-S1362 PolarHBondContact O-N 2.92Å; K1358-S1362 PolarHBondContact O-OG 3.27Å |
| 1359 | I | 90.1 | Very high | 87.4 | Confident | 36 Ų | 36 | 70.6 Ų | 70.6 | 19% | 0.185 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -60.9 | -45.9 | 177.6 | -54.6 | 170.7 | 0 | 0 | 0 | 110.1 | I1344 H1355 I1356 G1361 S1362 E1363 | I1344-I1359 HydrophobicContact CD1-CB 4.18Å; I1344-I1359 HydrophobicContact CD1-CG2 3.68Å; I1344-I1359 HydrophobicContact CG1-CG2 4.05Å; I1344-I1359 HydrophobicContact CG2-CB 3.87Å; I1344-I1359 HydrophobicContact CG2-CD1 4.02Å; I1344-I1359 HydrophobicContact CG2-CG2 3.93Å; H1355-I1359 PolarHBondContact O-N 2.89Å; I1356-I1359 PolarHBondContact O-N 3.46Å; I1359-G1361 VanDerWaalsContact C-N 3.26Å; I1359-G1361 PolarHBondContact O-N 3.11Å; I1359-S1362 WeakPolarHBondContact O-CA 3.3Å; I1359-S1362 WeakPolarHBondContact O-CB 3.47Å; I1359-S1362 PolarHBondContact O-N 2.69Å; I1359-E1363 HydrophobicContact CG2-CG 4.35Å; I1359-E1363 PolarHBondContact O-N 2.85Å |
| 1360 | V | 92.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -56.5 | -40.6 | 174.3 | 174.9 | 0 | 0 | 0 | 0 | 111.4 | Y1333 F1336 R1341 I1344 I1356 K1358 W1364 | Y1333-V1360 HydrophobicContact CE2-CG1 4.35Å; F1336-V1360 HydrophobicContact CD1-CG1 4.35Å; F1336-V1360 HydrophobicContact CE1-CG1 4.13Å; F1336-V1360 WeakPolarHBondContact CE1-O 3.47Å; R1341-V1360 HydrophobicContact CB-CG2 3.91Å; R1341-V1360 HydrophobicContact CG-CG2 4.33Å; I1344-V1360 HydrophobicContact CD1-CB 4.22Å; I1344-V1360 HydrophobicContact CD1-CG2 3.58Å; I1356-V1360 HydrophobicContact CG2-CG2 4.5Å; I1356-V1360 VanDerWaalsContact O-CG2 3.32Å; I1356-V1360 WeakPolarHBondContact O-CG2 3.25Å; I1356-V1360 PolarHBondContact O-N 3.35Å; K1358-V1360 PolarHBondContact O-N 3.15Å; V1360-W1364 PolarHBondContact O-N 3.44Å; V1360-W1364 VanDerWaalsContact O-N 3.14Å |
| 1361 | G | 91 | Very high | 87.9 | Confident | 21 Ų | 21 | 69.6 Ų | 69.6 | 22% | 0.216 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.9 | -34.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | S1357 K1358 I1359 K1365 | S1357-G1361 PolarHBondContact O-N 2.76Å; S1357-G1361 VanDerWaalsContact O-N 3.07Å; K1358-G1361 CarbonylContact O-C 3.6Å; K1358-G1361 WeakPolarHBondContact O-CA 3.33Å; K1358-G1361 PolarHBondContact O-N 2.94Å; K1358-G1361 VanDerWaalsContact O-N 3.1Å; I1359-G1361 VanDerWaalsContact C-N 3.26Å; I1359-G1361 PolarHBondContact O-N 3.11Å; G1361-K1365 WeakPolarHBondContact O-CG 3.43Å; G1361-K1365 PolarHBondContact O-N 2.88Å |
| 1362 | S | 89.6 | Confident | 88.4 | Confident | 63 Ų | 63 | 70 Ų | 70 | 44% | 0.441 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -72.4 | -43.5 | 174.7 | -66 | 0 | 0 | 0 | 0 | 112.4 | K1358 I1359 W1364 K1365 K1366 | K1358-S1362 PolarHBondContact O-N 2.92Å; K1358-S1362 PolarHBondContact O-OG 3.27Å; I1359-S1362 WeakPolarHBondContact O-CA 3.3Å; I1359-S1362 WeakPolarHBondContact O-CB 3.47Å; I1359-S1362 PolarHBondContact O-N 2.69Å; S1362-W1364 VanDerWaalsContact C-N 3.33Å; S1362-W1364 PolarHBondContact O-N 3.15Å; S1362-K1365 WeakPolarHBondContact O-CB 3.14Å; S1362-K1365 PolarHBondContact O-N 3.26Å; S1362-K1366 PolarHBondContact O-N 2.9Å |
| 1363 | E | 90.7 | Very high | 88.7 | Confident | 58 Ų | 58 | 72.2 Ų | 72.2 | 27% | 0.271 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.4 | -36.8 | 177.3 | -62 | -46.4 | 110.3 | 0 | 0 | 111.9 | F1336 I1344 I1359 K1365 K1366 L1367 | F1336-E1363 HydrophobicContact CE1-CB 4.34Å; F1336-E1363 HydrophobicContact CZ-CB 3.76Å; I1344-E1363 HydrophobicContact CD1-CG 3.99Å; I1359-E1363 HydrophobicContact CG2-CG 4.35Å; I1359-E1363 PolarHBondContact O-N 2.85Å; E1363-K1365 PolarHBondContact O-N 3.19Å; E1363-K1366 PolarHBondContact O-N 3.26Å; E1363-K1366 VanDerWaalsContact O-N 3.14Å; E1363-K1366 VanDerWaalsContact OE1-CE 3.3Å; E1363-K1366 WeakPolarHBondContact OE1-CE 3.33Å; E1363-K1366 IonicContact OE1-NZ 2.67Å; E1363-K1366 PolarHBondContact OE1-NZ 3.35Å; E1363-K1366 WeakPolarHBondContact OE2-CD 3.42Å; E1363-K1366 IonicContact OE2-NZ 2.69Å; E1363-K1366 PolarHBondContact OE2-NZ 3.41Å; E1363-L1367 PolarHBondContact O-N 3.01Å |
| 1364 | W | 94.2 | Very high | 89.1 | Confident | 40 Ų | 40 | 74.1 Ų | 74.1 | 15% | 0.152 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.3 | -31.8 | 172.3 | -179.8 | -107.6 | 0 | 0 | 0 | 113 | Y1333 F1336 V1360 S1362 L1367 K1372 Y1375 | Y1333-W1364 HydrophobicContact CD2-CB 3.92Å; Y1333-W1364 AromaticContact CD2-CD1 3.75Å; Y1333-W1364 AromaticContact CD2-CD2 3.71Å; Y1333-W1364 HydrophobicContact CD2-CD2 3.71Å; Y1333-W1364 HydrophobicContact CD2-CE3 4.31Å; Y1333-W1364 AromaticContact CD2-CG 3.51Å; Y1333-W1364 HydrophobicContact CD2-CG 3.51Å; Y1333-W1364 HydrophobicContact CE2-CB 3.94Å; Y1333-W1364 HydrophobicContact CE2-CG 4.01Å; F1336-W1364 HydrophobicContact CB-CE3 3.66Å; F1336-W1364 HydrophobicContact CB-CZ3 3.66Å; F1336-W1364 HydrophobicContact CD1-CB 4.01Å; F1336-W1364 HydrophobicContact CD1-CD2 4.36Å; F1336-W1364 AromaticContact CD1-CE3 3.69Å; F1336-W1364 HydrophobicContact CD1-CE3 3.69Å; F1336-W1364 AromaticContact CD2-CE3 3.78Å; F1336-W1364 HydrophobicContact CD2-CE3 3.78Å; F1336-W1364 HydrophobicContact CD2-CZ3 4.17Å; F1336-W1364 HydrophobicContact CE1-CB 3.69Å; F1336-W1364 HydrophobicContact CE1-CE3 4.27Å; F1336-W1364 HydrophobicContact CE2-CE3 4.32Å; F1336-W1364 HydrophobicContact CG-CD2 4.48Å; F1336-W1364 AromaticContact CG-CE3 3.43Å; F1336-W1364 HydrophobicContact CG-CE3 3.43Å; F1336-W1364 VanDerWaalsContact CG-CE3 3.43Å; F1336-W1364 AromaticContact CG-CZ3 3.9Å; F1336-W1364 HydrophobicContact CG-CZ3 3.9Å; F1336-W1364 HydrophobicContact CZ-CB 4.24Å; V1360-W1364 PolarHBondContact O-N 3.44Å; V1360-W1364 VanDerWaalsContact O-N 3.14Å; S1362-W1364 VanDerWaalsContact C-N 3.33Å; S1362-W1364 PolarHBondContact O-N 3.15Å; W1364-L1367 HydrophobicContact CE3-CD1 3.69Å; W1364-L1367 HydrophobicContact CZ3-CD1 3.83Å; W1364-K1372 HydrophobicContact CH2-CB 3.81Å; W1364-K1372 HydrophobicContact CH2-CG 4Å; W1364-K1372 HydrophobicContact CZ2-CB 3.98Å; W1364-K1372 HydrophobicContact CZ2-CD 4.06Å; W1364-K1372 HydrophobicContact CZ2-CG 3.94Å; W1364-K1372 HydrophobicContact CZ3-CB 4.43Å; W1364-K1372 HydrophobicContact CZ3-CG 4.32Å; W1364-K1372 VanDerWaalsContact O-CE 3.3Å; W1364-K1372 WeakPolarHBondContact O-CE 3.44Å; W1364-Y1375 HydrophobicContact CZ3-CD2 4.11Å; W1364-Y1375 HydrophobicContact CZ3-CG 4.17Å |
| 1365 | K | 91.2 | Very high | 89.6 | Confident | 170 Ų | 170 | 75 Ų | 75 | 74% | 0.739 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -75.1 | -27.3 | 174.9 | -72.7 | 176.5 | 177.4 | -172.6 | 0 | 113.1 | G1361 S1362 E1363 | G1361-K1365 WeakPolarHBondContact O-CG 3.43Å; G1361-K1365 PolarHBondContact O-N 2.88Å; S1362-K1365 WeakPolarHBondContact O-CB 3.14Å; S1362-K1365 PolarHBondContact O-N 3.26Å; E1363-K1365 PolarHBondContact O-N 3.19Å |
| 1366 | K | 90.5 | Very high | 89.8 | Confident | 147 Ų | 147 | 75.2 Ų | 75.2 | 64% | 0.639 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -74.3 | -29 | 175.5 | -70.6 | 177 | -177.3 | 169.6 | 0 | 113.3 | S1362 E1363 S1368 | S1362-K1366 PolarHBondContact O-N 2.9Å; E1363-K1366 PolarHBondContact O-N 3.26Å; E1363-K1366 VanDerWaalsContact O-N 3.14Å; E1363-K1366 VanDerWaalsContact OE1-CE 3.3Å; E1363-K1366 WeakPolarHBondContact OE1-CE 3.33Å; E1363-K1366 IonicContact OE1-NZ 2.67Å; E1363-K1366 PolarHBondContact OE1-NZ 3.35Å; E1363-K1366 WeakPolarHBondContact OE2-CD 3.42Å; E1363-K1366 IonicContact OE2-NZ 2.69Å; E1363-K1366 PolarHBondContact OE2-NZ 3.41Å; K1366-S1368 PolarHBondContact O-N 3.41Å |
| 1367 | L | 89.8 | Confident | 89.8 | Confident | 25 Ų | 25 | 79.8 Ų | 79.8 | 13% | 0.131 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -55.9 | 136.1 | 175.8 | -69.9 | -166.8 | 0 | 0 | 0 | 111.1 | F1336 E1363 W1364 E1371 K1372 Y1375 | F1336-L1367 HydrophobicContact CD2-CD1 3.71Å; F1336-L1367 HydrophobicContact CE2-CD1 3.61Å; F1336-L1367 HydrophobicContact CE2-CD2 4.24Å; F1336-L1367 HydrophobicContact CE2-CG 3.97Å; F1336-L1367 HydrophobicContact CZ-CD1 4.5Å; E1363-L1367 PolarHBondContact O-N 3.01Å; W1364-L1367 HydrophobicContact CE3-CD1 3.69Å; W1364-L1367 HydrophobicContact CZ3-CD1 3.83Å; L1367-E1371 HydrophobicContact CB-CB 4.1Å; L1367-E1371 HydrophobicContact CD1-CB 4.18Å; L1367-E1371 HydrophobicContact CD2-CB 4.13Å; L1367-E1371 HydrophobicContact CG-CB 4.38Å; L1367-K1372 HydrophobicContact CB-CG 3.93Å; L1367-K1372 HydrophobicContact CD1-CG 4.44Å; L1367-K1372 WeakPolarHBondContact O-CE 3.32Å; L1367-K1372 PolarHBondContact O-NZ 3.23Å; L1367-Y1375 HydrophobicContact CD1-CD2 3.78Å; L1367-Y1375 HydrophobicContact CD1-CE2 3.78Å |
| 1368 | S | 90.5 | Very high | 89.8 | Confident | 50 Ų | 50 | 81.2 Ų | 81.2 | 35% | 0.35 | 39% | 0.39 | S | S | . | . | trans | -63.4 | 156.6 | 165.8 | 67.8 | 0 | 0 | 0 | 0 | 110.9 | K1366 S1370 E1371 K1372 | K1366-S1368 PolarHBondContact O-N 3.41Å; S1368-S1370 PolarHBondContact O-N 3.29Å; S1368-S1370 PolarHBondContact OG-OG 2.82Å; S1368-E1371 VanDerWaalsContact CB-OE2 3.31Å; S1368-E1371 WeakPolarHBondContact CB-OE2 3.47Å; S1368-E1371 PolarHBondContact N-OE2 2.77Å; S1368-E1371 WeakPolarHBondContact O-CB 3.27Å; S1368-E1371 PolarHBondContact O-N 3.28Å; S1368-E1371 WeakPolarHBondContact OG-CG 3.44Å; S1368-E1371 PolarHBondContact OG-N 3Å; S1368-E1371 PolarHBondContact OG-OE2 2.98Å; S1368-K1372 PolarHBondContact O-N 2.87Å | ||
| 1369 | D | 85.4 | Confident | 89.8 | Confident | 121 Ų | 121 | 73.7 Ų | 73.7 | 65% | 0.647 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -65.7 | -23.6 | -179.1 | -60.6 | -39.3 | 0 | 0 | 0 | 112.6 | K1372 K1373 | D1369-K1372 IonicContact OD1-NZ 3.38Å; D1369-K1372 PolarHBondContact OD1-NZ 2.96Å; D1369-K1373 VanDerWaalsContact O-CB 3.28Å; D1369-K1373 WeakPolarHBondContact O-CB 3.45Å; D1369-K1373 PolarHBondContact O-N 3.16Å |
| 1370 | S | 86.5 | Confident | 89.5 | Confident | 79 Ų | 79 | 76.7 Ų | 76.7 | 55% | 0.552 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -66.4 | -35.4 | 170 | 74.8 | 0 | 0 | 0 | 0 | 113.2 | S1368 R1374 | S1368-S1370 PolarHBondContact O-N 3.29Å; S1368-S1370 PolarHBondContact OG-OG 2.82Å; S1370-R1374 WeakPolarHBondContact O-CG 3.35Å; S1370-R1374 PolarHBondContact O-N 2.91Å |
| 1371 | E | 90.1 | Very high | 89.3 | Confident | 78 Ų | 78 | 81.7 Ų | 81.7 | 36% | 0.364 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -76.2 | -41.4 | 174.3 | -68.7 | 163.8 | 105.3 | 0 | 0 | 111.3 | L1367 S1368 K1373 R1374 Y1375 | L1367-E1371 HydrophobicContact CB-CB 4.1Å; L1367-E1371 HydrophobicContact CD1-CB 4.18Å; L1367-E1371 HydrophobicContact CD2-CB 4.13Å; L1367-E1371 HydrophobicContact CG-CB 4.38Å; S1368-E1371 VanDerWaalsContact CB-OE2 3.31Å; S1368-E1371 WeakPolarHBondContact CB-OE2 3.47Å; S1368-E1371 PolarHBondContact N-OE2 2.77Å; S1368-E1371 WeakPolarHBondContact O-CB 3.27Å; S1368-E1371 PolarHBondContact O-N 3.28Å; S1368-E1371 WeakPolarHBondContact OG-CG 3.44Å; S1368-E1371 PolarHBondContact OG-N 3Å; S1368-E1371 PolarHBondContact OG-OE2 2.98Å; E1371-K1373 VanDerWaalsContact C-N 3.29Å; E1371-K1373 PolarHBondContact O-N 3.49Å; E1371-R1374 WeakPolarHBondContact O-CB 3.22Å; E1371-R1374 PolarHBondContact O-N 3.42Å; E1371-Y1375 VanDerWaalsContact O-CD2 3.31Å; E1371-Y1375 WeakPolarHBondContact O-CD2 3.2Å; E1371-Y1375 PolarHBondContact O-N 3.25Å |
| 1372 | K | 92.2 | Very high | 88.9 | Confident | 40 Ų | 40 | 80.8 Ų | 80.8 | 17% | 0.174 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -56.3 | -45.7 | 173.1 | -62.3 | -172.6 | -168 | 85 | 0 | 110.8 | W1364 L1367 S1368 D1369 R1374 Y1375 E1376 | W1364-K1372 HydrophobicContact CH2-CB 3.81Å; W1364-K1372 HydrophobicContact CH2-CG 4Å; W1364-K1372 HydrophobicContact CZ2-CB 3.98Å; W1364-K1372 HydrophobicContact CZ2-CD 4.06Å; W1364-K1372 HydrophobicContact CZ2-CG 3.94Å; W1364-K1372 HydrophobicContact CZ3-CB 4.43Å; W1364-K1372 HydrophobicContact CZ3-CG 4.32Å; W1364-K1372 VanDerWaalsContact O-CE 3.3Å; W1364-K1372 WeakPolarHBondContact O-CE 3.44Å; L1367-K1372 HydrophobicContact CB-CG 3.93Å; L1367-K1372 HydrophobicContact CD1-CG 4.44Å; L1367-K1372 WeakPolarHBondContact O-CE 3.32Å; L1367-K1372 PolarHBondContact O-NZ 3.23Å; S1368-K1372 PolarHBondContact O-N 2.87Å; D1369-K1372 IonicContact OD1-NZ 3.38Å; D1369-K1372 PolarHBondContact OD1-NZ 2.96Å; K1372-R1374 PolarHBondContact O-N 2.8Å; K1372-Y1375 WeakPolarHBondContact O-CB 3.23Å; K1372-Y1375 PolarHBondContact O-N 2.78Å; K1372-Y1375 VanDerWaalsContact O-N 3.09Å; K1372-E1376 PolarHBondContact O-N 3.05Å |
| 1373 | K | 88.5 | Confident | 88.4 | Confident | 118 Ų | 118 | 77.8 Ų | 77.8 | 51% | 0.513 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.3 | -42.6 | 176.9 | -172 | 170.2 | -172.9 | -87.4 | 0 | 112.7 | D1369 E1371 Y1375 E1376 E1377 | D1369-K1373 VanDerWaalsContact O-CB 3.28Å; D1369-K1373 WeakPolarHBondContact O-CB 3.45Å; D1369-K1373 PolarHBondContact O-N 3.16Å; E1371-K1373 VanDerWaalsContact C-N 3.29Å; E1371-K1373 PolarHBondContact O-N 3.49Å; K1373-Y1375 VanDerWaalsContact C-N 3.3Å; K1373-Y1375 PolarHBondContact O-N 2.83Å; K1373-E1376 PolarHBondContact O-N 3.48Å; K1373-E1376 VanDerWaalsContact O-N 3.09Å; K1373-E1377 WeakPolarHBondContact CE-OE1 3.49Å; K1373-E1377 HydrophobicContact CG-CG 4.35Å; K1373-E1377 IonicContact NZ-OE1 3.89Å; K1373-E1377 PolarHBondContact NZ-OE1 3.43Å; K1373-E1377 WeakPolarHBondContact O-CG 3.47Å; K1373-E1377 PolarHBondContact O-N 2.77Å |
| 1374 | R | 88.6 | Confident | 88 | Confident | 179 Ų | 179 | 78 Ų | 78 | 68% | 0.675 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -57.8 | -40.3 | 173 | -74.7 | 176.3 | 176.6 | 177.6 | -0 | 112.5 | S1370 E1371 K1372 E1378 | S1370-R1374 WeakPolarHBondContact O-CG 3.35Å; S1370-R1374 PolarHBondContact O-N 2.91Å; E1371-R1374 WeakPolarHBondContact O-CB 3.22Å; E1371-R1374 PolarHBondContact O-N 3.42Å; K1372-R1374 PolarHBondContact O-N 2.8Å; R1374-E1378 VanDerWaalsContact O-CB 3.28Å; R1374-E1378 WeakPolarHBondContact O-CB 3.38Å; R1374-E1378 PolarHBondContact O-N 3.08Å |
| 1375 | Y | 91.9 | Very high | 87.3 | Confident | 63 Ų | 63 | 78.7 Ų | 78.7 | 25% | 0.247 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -68.7 | -33.1 | 175.6 | -81.4 | -76.1 | 0 | 0 | 0 | 112.7 | G1332 L1335 F1336 W1364 L1367 E1371 K1372 K1373 A1379 | G1332-Y1375 VanDerWaalsContact CA-O 3.25Å; G1332-Y1375 WeakPolarHBondContact CA-O 3.45Å; L1335-Y1375 HydrophobicContact CB-CD1 4.41Å; L1335-Y1375 HydrophobicContact CD2-CD1 3.98Å; L1335-Y1375 HydrophobicContact CG-CD1 3.98Å; F1336-Y1375 HydrophobicContact CB-CD1 3.89Å; F1336-Y1375 HydrophobicContact CB-CD2 4.48Å; F1336-Y1375 HydrophobicContact CB-CE1 4.08Å; F1336-Y1375 HydrophobicContact CB-CG 4.12Å; F1336-Y1375 HydrophobicContact CD2-CD2 4.1Å; F1336-Y1375 HydrophobicContact CD2-CE1 4.17Å; F1336-Y1375 AromaticContact CD2-CE2 3.69Å; F1336-Y1375 HydrophobicContact CD2-CE2 3.69Å; F1336-Y1375 AromaticContact CD2-CZ 3.72Å; F1336-Y1375 HydrophobicContact CE2-CE2 4.42Å; W1364-Y1375 HydrophobicContact CZ3-CD2 4.11Å; W1364-Y1375 HydrophobicContact CZ3-CG 4.17Å; L1367-Y1375 HydrophobicContact CD1-CD2 3.78Å; L1367-Y1375 HydrophobicContact CD1-CE2 3.78Å; E1371-Y1375 VanDerWaalsContact O-CD2 3.31Å; E1371-Y1375 WeakPolarHBondContact O-CD2 3.2Å; E1371-Y1375 PolarHBondContact O-N 3.25Å; K1372-Y1375 WeakPolarHBondContact O-CB 3.23Å; K1372-Y1375 PolarHBondContact O-N 2.78Å; K1372-Y1375 VanDerWaalsContact O-N 3.09Å; K1373-Y1375 VanDerWaalsContact C-N 3.3Å; K1373-Y1375 PolarHBondContact O-N 2.83Å; Y1375-A1379 WeakPolarHBondContact O-CB 3.24Å; Y1375-A1379 PolarHBondContact O-N 3.39Å |
| 1376 | E | 89.2 | Confident | 86.6 | Confident | 101 Ų | 101 | 73.1 Ų | 73.1 | 47% | 0.472 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -71.8 | -46.1 | 175.8 | -69.3 | 178.8 | 158.3 | 0 | 0 | 112.1 | K1372 K1373 E1378 A1379 Q1380 | K1372-E1376 PolarHBondContact O-N 3.05Å; K1373-E1376 PolarHBondContact O-N 3.48Å; K1373-E1376 VanDerWaalsContact O-N 3.09Å; E1376-E1378 PolarHBondContact O-N 3.46Å; E1376-A1379 PolarHBondContact O-N 2.82Å; E1376-Q1380 WeakPolarHBondContact O-CB 3.3Å; E1376-Q1380 PolarHBondContact O-N 3.08Å |
| 1377 | E | 88.5 | Confident | 85.8 | Confident | 101 Ų | 101 | 70.6 Ų | 70.6 | 47% | 0.472 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -57.6 | -45.8 | 173.8 | -70.7 | 169.7 | 166.7 | 0 | 0 | 111.4 | K1373 Q1380 R1381 | K1373-E1377 WeakPolarHBondContact CE-OE1 3.49Å; K1373-E1377 HydrophobicContact CG-CG 4.35Å; K1373-E1377 IonicContact NZ-OE1 3.89Å; K1373-E1377 PolarHBondContact NZ-OE1 3.43Å; K1373-E1377 WeakPolarHBondContact O-CG 3.47Å; K1373-E1377 PolarHBondContact O-N 2.77Å; E1377-Q1380 PolarHBondContact O-N 3.16Å; E1377-R1381 WeakPolarHBondContact O-CB 3.44Å; E1377-R1381 PolarHBondContact O-N 2.86Å |
| 1378 | E | 86.5 | Confident | 85.1 | Confident | 58 Ų | 58 | 76 Ų | 76 | 27% | 0.271 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -68.8 | -38.3 | 177.1 | -178.2 | 64.1 | -172.1 | 0 | 0 | 112.5 | M1322 L1335 R1374 E1376 Q1380 R1381 I1382 | M1322-E1378 VanDerWaalsContact CE-OE1 3.3Å; M1322-E1378 WeakPolarHBondContact CE-OE1 3.3Å; L1335-E1378 HydrophobicContact CD2-CB 3.67Å; L1335-E1378 HydrophobicContact CD2-CG 3.42Å; L1335-E1378 VanDerWaalsContact CD2-CG 3.42Å; R1374-E1378 VanDerWaalsContact O-CB 3.28Å; R1374-E1378 WeakPolarHBondContact O-CB 3.38Å; R1374-E1378 PolarHBondContact O-N 3.08Å; E1376-E1378 PolarHBondContact O-N 3.46Å; E1378-Q1380 VanDerWaalsContact C-N 3.34Å; E1378-Q1380 PolarHBondContact O-N 2.93Å; E1378-R1381 PolarHBondContact O-N 2.65Å; E1378-R1381 IonicContact OE1-CZ 2.66Å; E1378-R1381 IonicContact OE1-NE 3.96Å; E1378-R1381 IonicContact OE1-NH2 2.67Å; E1378-R1381 PolarHBondContact OE1-NH2 2.89Å; E1378-R1381 IonicContact OE2-CZ 3.87Å; E1378-R1381 IonicContact OE2-NE 2.7Å; E1378-R1381 PolarHBondContact OE2-NE 3.04Å; E1378-R1381 IonicContact OE2-NH2 3.45Å; E1378-R1381 PolarHBondContact OE2-NH2 3.37Å; E1378-I1382 HydrophobicContact CG-CD1 4.02Å; E1378-I1382 VanDerWaalsContact O-CG1 3.3Å; E1378-I1382 WeakPolarHBondContact O-CG1 3.38Å; E1378-I1382 PolarHBondContact O-N 2.91Å |
| 1379 | A | 87.9 | Confident | 83.9 | Confident | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.4 | -36.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1325 L1335 Y1375 E1376 A1383 | L1325-A1379 HydrophobicContact CD1-CB 4.31Å; L1335-A1379 HydrophobicContact CB-CB 4.05Å; L1335-A1379 HydrophobicContact CD2-CB 4.22Å; Y1375-A1379 WeakPolarHBondContact O-CB 3.24Å; Y1375-A1379 PolarHBondContact O-N 3.39Å; E1376-A1379 PolarHBondContact O-N 2.82Å; A1379-A1383 WeakPolarHBondContact O-CB 3.43Å; A1379-A1383 PolarHBondContact O-N 2.94Å; A1379-A1383 VanDerWaalsContact O-N 3.13Å |
| 1380 | Q | 85 | Confident | 82.9 | Confident | 98 Ų | 98 | 72.3 Ų | 72.3 | 46% | 0.458 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67.7 | -45.5 | 172 | 178.5 | 163 | -17.6 | 0 | 0 | 111.2 | E1376 E1377 E1378 I1382 A1383 E1384 | E1376-Q1380 WeakPolarHBondContact O-CB 3.3Å; E1376-Q1380 PolarHBondContact O-N 3.08Å; E1377-Q1380 PolarHBondContact O-N 3.16Å; E1378-Q1380 VanDerWaalsContact C-N 3.34Å; E1378-Q1380 PolarHBondContact O-N 2.93Å; Q1380-I1382 PolarHBondContact O-N 2.95Å; Q1380-A1383 WeakPolarHBondContact O-CB 3.4Å; Q1380-A1383 PolarHBondContact O-N 2.76Å; Q1380-A1383 VanDerWaalsContact O-N 3.1Å; Q1380-E1384 HydrophobicContact CG-CG 4.4Å; Q1380-E1384 VanDerWaalsContact CG-OE1 3.25Å; Q1380-E1384 WeakPolarHBondContact CG-OE1 3.38Å; Q1380-E1384 PolarHBondContact NE2-OE1 3.02Å; Q1380-E1384 WeakPolarHBondContact O-CG 3.39Å; Q1380-E1384 PolarHBondContact O-N 3.47Å |
| 1381 | R | 87.2 | Confident | 81.9 | Confident | 106 Ų | 106 | 74 Ų | 74 | 40% | 0.4 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -56.3 | -46.4 | 176.1 | -171.2 | 173.7 | 73.1 | 94.4 | -9.1 | 112.4 | E1377 E1378 A1383 E1384 E1385 | E1377-R1381 WeakPolarHBondContact O-CB 3.44Å; E1377-R1381 PolarHBondContact O-N 2.86Å; E1378-R1381 PolarHBondContact O-N 2.65Å; E1378-R1381 IonicContact OE1-CZ 2.66Å; E1378-R1381 IonicContact OE1-NE 3.96Å; E1378-R1381 IonicContact OE1-NH2 2.67Å; E1378-R1381 PolarHBondContact OE1-NH2 2.89Å; E1378-R1381 IonicContact OE2-CZ 3.87Å; E1378-R1381 IonicContact OE2-NE 2.7Å; E1378-R1381 PolarHBondContact OE2-NE 3.04Å; E1378-R1381 IonicContact OE2-NH2 3.45Å; E1378-R1381 PolarHBondContact OE2-NH2 3.37Å; R1381-A1383 VanDerWaalsContact C-N 3.33Å; R1381-A1383 PolarHBondContact O-N 2.72Å; R1381-E1384 PolarHBondContact O-N 2.94Å; R1381-E1385 IonicContact CZ-OE1 2.8Å; R1381-E1385 IonicContact NH1-OE1 3.51Å; R1381-E1385 PolarHBondContact NH1-OE1 3.18Å; R1381-E1385 WeakPolarHBondContact O-CG 3.3Å; R1381-E1385 PolarHBondContact O-N 3.01Å |
| 1382 | I | 83.5 | Confident | 80.3 | Confident | 1 Ų | 1 | 74.4 Ų | 74.4 | 1% | 0.005 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.1 | -38.4 | 176.8 | -66.7 | 164.8 | 0 | 0 | 0 | 111.5 | M1322 L1325 L1335 E1378 Q1380 R1386 | M1322-I1382 HydrophobicContact CE-CD1 3.87Å; M1322-I1382 HydrophobicContact CE-CG1 3.52Å; M1322-I1382 HydrophobicContact SD-CG1 4.23Å; L1325-I1382 HydrophobicContact CB-CG2 4.07Å; L1325-I1382 HydrophobicContact CD1-CB 4.05Å; L1325-I1382 HydrophobicContact CD1-CD1 3.98Å; L1325-I1382 HydrophobicContact CD1-CG2 3.89Å; L1335-I1382 HydrophobicContact CD1-CD1 3.88Å; L1335-I1382 HydrophobicContact CD2-CD1 4.24Å; E1378-I1382 HydrophobicContact CG-CD1 4.02Å; E1378-I1382 VanDerWaalsContact O-CG1 3.3Å; E1378-I1382 WeakPolarHBondContact O-CG1 3.38Å; E1378-I1382 PolarHBondContact O-N 2.91Å; Q1380-I1382 PolarHBondContact O-N 2.95Å; I1382-R1386 WeakPolarHBondContact O-CB 3.38Å; I1382-R1386 WeakPolarHBondContact O-CG 3.33Å; I1382-R1386 PolarHBondContact O-N 2.53Å |
| 1383 | A | 79.1 | Confident | 78.5 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.8 | -40.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | K1330 A1379 Q1380 R1381 R1386 E1387 | K1330-A1383 HydrophobicContact CB-CB 4.38Å; K1330-A1383 HydrophobicContact CD-CB 3.94Å; K1330-A1383 HydrophobicContact CG-CB 3.65Å; A1379-A1383 WeakPolarHBondContact O-CB 3.43Å; A1379-A1383 PolarHBondContact O-N 2.94Å; A1379-A1383 VanDerWaalsContact O-N 3.13Å; Q1380-A1383 WeakPolarHBondContact O-CB 3.4Å; Q1380-A1383 PolarHBondContact O-N 2.76Å; Q1380-A1383 VanDerWaalsContact O-N 3.1Å; R1381-A1383 VanDerWaalsContact C-N 3.33Å; R1381-A1383 PolarHBondContact O-N 2.72Å; A1383-R1386 PolarHBondContact O-N 3.05Å; A1383-E1387 VanDerWaalsContact O-CB 3.26Å; A1383-E1387 WeakPolarHBondContact O-CB 3.26Å; A1383-E1387 PolarHBondContact O-N 3.15Å |
| 1384 | E | 81.2 | Confident | 76.2 | Confident | 64 Ų | 64 | 73.2 Ų | 73.2 | 30% | 0.299 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -71.4 | -38.3 | 177.1 | -71.4 | 178.9 | -157 | 0 | 0 | 113.2 | Q1380 R1381 R1386 E1387 K1388 | Q1380-E1384 HydrophobicContact CG-CG 4.4Å; Q1380-E1384 VanDerWaalsContact CG-OE1 3.25Å; Q1380-E1384 WeakPolarHBondContact CG-OE1 3.38Å; Q1380-E1384 PolarHBondContact NE2-OE1 3.02Å; Q1380-E1384 WeakPolarHBondContact O-CG 3.39Å; Q1380-E1384 PolarHBondContact O-N 3.47Å; R1381-E1384 PolarHBondContact O-N 2.94Å; E1384-R1386 VanDerWaalsContact C-N 3.29Å; E1384-R1386 PolarHBondContact O-N 3.12Å; E1384-E1387 PolarHBondContact O-N 3.45Å; E1384-K1388 WeakPolarHBondContact O-CB 3.39Å; E1384-K1388 WeakPolarHBondContact O-CD 3.27Å; E1384-K1388 VanDerWaalsContact O-CG 3.26Å; E1384-K1388 WeakPolarHBondContact O-CG 3.15Å; E1384-K1388 PolarHBondContact O-N 2.97Å; E1384-K1388 IonicContact OE2-NZ 3.5Å |
| 1385 | E | 79.6 | Confident | 74 | Confident | 54 Ų | 54 | 70 Ų | 70 | 25% | 0.252 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.8 | -37.1 | 171.8 | -76.3 | -175.8 | -160.2 | 0 | 0 | 111.1 | L1319 R1381 A1389 | L1319-E1385 HydrophobicContact CD2-CB 4.33Å; R1381-E1385 IonicContact CZ-OE1 2.8Å; R1381-E1385 IonicContact NH1-OE1 3.51Å; R1381-E1385 PolarHBondContact NH1-OE1 3.18Å; R1381-E1385 WeakPolarHBondContact O-CG 3.3Å; R1381-E1385 PolarHBondContact O-N 3.01Å; E1385-A1389 WeakPolarHBondContact O-CB 3.22Å; E1385-A1389 PolarHBondContact O-N 2.96Å; E1385-A1389 VanDerWaalsContact O-N 3.08Å |
| 1386 | R | 77.2 | Confident | 72.2 | Confident | 53 Ų | 53 | 77.8 Ų | 77.8 | 20% | 0.2 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -72.5 | -40.2 | 173.5 | -76 | -178.2 | 172.2 | -135.5 | -17.3 | 113 | L1319 L1325 I1382 A1383 E1384 K1388 A1389 D1390 | L1319-R1386 HydrophobicContact CD2-CG 3.8Å; L1319-R1386 PolarHBondContact O-NH2 3.3Å; L1325-R1386 VanDerWaalsContact O-CD 3.26Å; L1325-R1386 WeakPolarHBondContact O-CD 3.49Å; L1325-R1386 PolarHBondContact O-NH1 3.32Å; I1382-R1386 WeakPolarHBondContact O-CB 3.38Å; I1382-R1386 WeakPolarHBondContact O-CG 3.33Å; I1382-R1386 PolarHBondContact O-N 2.53Å; A1383-R1386 PolarHBondContact O-N 3.05Å; E1384-R1386 VanDerWaalsContact C-N 3.29Å; E1384-R1386 PolarHBondContact O-N 3.12Å; R1386-K1388 VanDerWaalsContact C-N 3.33Å; R1386-K1388 PolarHBondContact O-N 2.73Å; R1386-A1389 CarbonylContact O-C 3.58Å; R1386-A1389 PolarHBondContact O-N 3.44Å; R1386-A1389 VanDerWaalsContact O-N 3.16Å; R1386-D1390 WeakPolarHBondContact O-CB 3.21Å; R1386-D1390 PolarHBondContact O-N 3.3Å |
| 1387 | E | 72.7 | Confident | 70.5 | Confident | 94 Ų | 94 | 78.5 Ų | 78.5 | 44% | 0.439 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62 | -40.9 | 175.8 | -171 | 162.9 | -170.7 | 0 | 0 | 111.1 | K1330 A1383 E1384 D1390 V1391 | K1330-E1387 IonicContact NZ-OE2 3.89Å; K1330-E1387 PolarHBondContact NZ-OE2 2.94Å; A1383-E1387 VanDerWaalsContact O-CB 3.26Å; A1383-E1387 WeakPolarHBondContact O-CB 3.26Å; A1383-E1387 PolarHBondContact O-N 3.15Å; E1384-E1387 PolarHBondContact O-N 3.45Å; E1387-D1390 PolarHBondContact O-N 3.02Å; E1387-V1391 VanDerWaalsContact O-CG2 3.3Å; E1387-V1391 WeakPolarHBondContact O-CG2 3.41Å; E1387-V1391 PolarHBondContact O-N 3.26Å |
| 1388 | K | 74.9 | Confident | 69.1 | Low | 137 Ų | 137 | 81.6 Ų | 81.6 | 60% | 0.596 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -64.9 | -38.4 | 172.2 | -71.5 | 161.8 | -175 | 160.2 | 0 | 112.6 | E1384 R1386 A1392 | E1384-K1388 WeakPolarHBondContact O-CB 3.39Å; E1384-K1388 WeakPolarHBondContact O-CD 3.27Å; E1384-K1388 VanDerWaalsContact O-CG 3.26Å; E1384-K1388 WeakPolarHBondContact O-CG 3.15Å; E1384-K1388 PolarHBondContact O-N 2.97Å; E1384-K1388 IonicContact OE2-NZ 3.5Å; R1386-K1388 VanDerWaalsContact C-N 3.33Å; R1386-K1388 PolarHBondContact O-N 2.73Å; K1388-A1392 WeakPolarHBondContact O-CB 3.48Å; K1388-A1392 PolarHBondContact O-N 3.03Å |
| 1389 | A | 67.1 | Low | 68 | Low | 23 Ų | 23 | 81.9 Ų | 81.9 | 19% | 0.19 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -71.9 | -38.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1319 E1385 R1386 V1391 A1392 M1393 | L1319-A1389 HydrophobicContact CD1-CB 3.66Å; E1385-A1389 WeakPolarHBondContact O-CB 3.22Å; E1385-A1389 PolarHBondContact O-N 2.96Å; E1385-A1389 VanDerWaalsContact O-N 3.08Å; R1386-A1389 CarbonylContact O-C 3.58Å; R1386-A1389 PolarHBondContact O-N 3.44Å; R1386-A1389 VanDerWaalsContact O-N 3.16Å; A1389-V1391 VanDerWaalsContact C-N 3.31Å; A1389-V1391 PolarHBondContact O-N 2.88Å; A1389-A1392 PolarHBondContact O-N 2.92Å; A1389-M1393 WeakPolarHBondContact O-CG 3.4Å; A1389-M1393 PolarHBondContact O-N 3.43Å |
| 1390 | D | 64 | Low | 66.9 | Low | 71 Ų | 71 | 86.8 Ų | 86.8 | 38% | 0.38 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.6 | -39 | 175.3 | -71.3 | -18.9 | 0 | 0 | 0 | 110.3 | S1327 R1386 E1387 | S1327-D1390 PolarHBondContact OG-OD2 2.83Å; R1386-D1390 WeakPolarHBondContact O-CB 3.21Å; R1386-D1390 PolarHBondContact O-N 3.3Å; E1387-D1390 PolarHBondContact O-N 3.02Å |
| 1391 | V | 64.6 | Low | 65.9 | Low | 116 Ų | 116 | 88.1 Ų | 88.1 | 70% | 0.703 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -66.4 | -46.1 | 172.1 | 168.4 | 0 | 0 | 0 | 0 | 111.8 | E1387 A1389 M1393 G1394 | E1387-V1391 VanDerWaalsContact O-CG2 3.3Å; E1387-V1391 WeakPolarHBondContact O-CG2 3.41Å; E1387-V1391 PolarHBondContact O-N 3.26Å; A1389-V1391 VanDerWaalsContact C-N 3.31Å; A1389-V1391 PolarHBondContact O-N 2.88Å; V1391-M1393 PolarHBondContact O-N 3.34Å; V1391-G1394 PolarHBondContact O-N 3.48Å |
| 1392 | A | 57.6 | Low | 65.2 | Low | 86 Ų | 86 | 85.7 Ų | 85.7 | 71% | 0.711 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -66.1 | -19.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114 | K1388 A1389 | K1388-A1392 WeakPolarHBondContact O-CB 3.48Å; K1388-A1392 PolarHBondContact O-N 3.03Å; A1389-A1392 PolarHBondContact O-N 2.92Å |
| 1393 | M | 53.6 | Low | 65.2 | Low | 73 Ų | 73 | 87.6 Ų | 87.6 | 36% | 0.36 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 18.2 | 175.3 | -64.4 | -172.3 | -58.8 | 0 | 0 | 113.7 | A1389 V1391 N1395 | A1389-M1393 WeakPolarHBondContact O-CG 3.4Å; A1389-M1393 PolarHBondContact O-N 3.43Å; V1391-M1393 PolarHBondContact O-N 3.34Å; M1393-N1395 PolarHBondContact O-N 2.92Å |
| 1394 | G | 39.5 | Very low | 65.6 | Low | 60 Ų | 60 | 89.4 Ų | 89.4 | 62% | 0.619 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75 | 15.9 | 155.7 | 0 | 0 | 0 | 0 | 0 | 118 | V1391 R1396 | V1391-G1394 PolarHBondContact O-N 3.48Å; G1394-R1396 PolarHBondContact O-N 2.98Å |
| 1395 | N | 43.8 | Very low | 65.8 | Low | 111 Ų | 111 | 89.3 Ų | 89.3 | 59% | 0.594 | 49% | 0.492 | S | S | * | . | trans | -75.3 | 44.1 | -174 | -98.7 | -65.7 | 0 | 0 | 0 | 115.6 | M1393 | M1393-N1395 PolarHBondContact O-N 2.92Š| ||
| 1396 | R | 53.1 | Low | 66.4 | Low | 227 Ų | 227 | 86.7 Ų | 86.7 | 86% | 0.857 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -122.2 | 135.4 | 168.5 | -99.9 | -170.2 | 177.3 | -167 | 0.6 | 110.5 | G1394 Q1398 | G1394-R1396 PolarHBondContact O-N 2.98Å; R1396-Q1398 PolarHBondContact O-N 3.49Å |
| 1397 | L | 54.3 | Low | 67.1 | Low | 115 Ų | 115 | 85.2 Ų | 85.2 | 60% | 0.602 | 48% | 0.475 | S | S | * | . | trans | -60.3 | 105 | 169.9 | -76 | 166 | 0 | 0 | 0 | 110 | ||||
| 1398 | Q | 58.1 | Low | 67.9 | Low | 166 Ų | 166 | 81.4 Ų | 81.4 | 78% | 0.776 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -97.8 | 133.3 | 160.8 | -66.3 | -172.4 | -8.1 | 0 | 0 | 108.2 | R1396 | R1396-Q1398 PolarHBondContact O-N 3.49Š|
| 1399 | P | 65.1 | Low | 68.8 | Low | 64 Ų | 64 | 75.1 Ų | 75.1 | 42% | 0.416 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 139.7 | 171.9 | 28.2 | -32.6 | 0 | 0 | 0 | 110.2 | Q1403 | P1399-Q1403 HydrophobicContact CB-CB 3.89Å; P1399-Q1403 WeakPolarHBondContact CB-O 3.47Å |
| 1400 | L | 63.1 | Low | 69.8 | Low | 104 Ų | 104 | 77.8 Ų | 77.8 | 55% | 0.545 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 158.7 | 166.9 | -63.3 | 174.5 | 0 | 0 | 0 | 109.9 | G1402 Q1403 | L1400-G1402 PolarHBondContact O-N 3.36Å; L1400-Q1403 HydrophobicContact CB-CG 4.19Å; L1400-Q1403 VanDerWaalsContact N-OE1 3.14Å; L1400-Q1403 WeakPolarHBondContact O-CB 3.37Å; L1400-Q1403 PolarHBondContact O-N 3.08Å |
| 1401 | P | 64.6 | Low | 71.1 | Confident | 125 Ų | 125 | 75 Ų | 75 | 81% | 0.812 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.5 | 127.7 | 174.2 | -29.2 | 36.4 | 0 | 0 | 0 | 112.3 | Q1403 | P1401-Q1403 VanDerWaalsContact C-N 3.34Š|
| 1402 | G | 72.6 | Confident | 71.8 | Confident | 56 Ų | 56 | 75 Ų | 75 | 58% | 0.577 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.4 | -8.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | L1400 Y1484 P1485 | L1400-G1402 PolarHBondContact O-N 3.36Å; G1402-Y1484 WeakPolarHBondContact O-CD1 3.47Å; G1402-P1485 WeakPolarHBondContact O-CD 3.37Å |
| 1403 | Q | 84.3 | Confident | 72.9 | Confident | 40 Ų | 40 | 78.7 Ų | 78.7 | 19% | 0.187 | 41% | 0.411 | C | S | . | . | trans | -88 | 150.1 | 171.4 | -61.8 | -177.5 | -20.1 | 0 | 0 | 111.8 | P1399 L1400 P1401 C1482 V1483 Y1484 | P1399-Q1403 HydrophobicContact CB-CB 3.89Å; P1399-Q1403 WeakPolarHBondContact CB-O 3.47Å; L1400-Q1403 HydrophobicContact CB-CG 4.19Å; L1400-Q1403 VanDerWaalsContact N-OE1 3.14Å; L1400-Q1403 WeakPolarHBondContact O-CB 3.37Å; L1400-Q1403 PolarHBondContact O-N 3.08Å; P1401-Q1403 VanDerWaalsContact C-N 3.34Å; Q1403-C1482 HydrophobicContact CB-CB 4.33Å; Q1403-V1483 WeakPolarHBondContact CA-O 3.32Å; Q1403-Y1484 HydrophobicContact CG-CD1 3.67Å; Q1403-Y1484 HydrophobicContact CG-CD2 4.36Å; Q1403-Y1484 HydrophobicContact CG-CE1 3.43Å; Q1403-Y1484 VanDerWaalsContact CG-CE1 3.43Å; Q1403-Y1484 HydrophobicContact CG-CE2 4.16Å; Q1403-Y1484 HydrophobicContact CG-CG 4.13Å | ||
| 1404 | I | 86 | Confident | 74.7 | Confident | 38 Ų | 38 | 76 Ų | 76 | 20% | 0.195 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 154.2 | 164.1 | 59.8 | 156.9 | 0 | 0 | 0 | 110.1 | V1406 C1482 V1483 R1488 Y1492 | I1404-V1406 HydrophobicContact CD1-CG1 3.46Å; I1404-V1406 VanDerWaalsContact CD1-CG1 3.46Å; I1404-V1406 HydrophobicContact CG1-CG1 3.99Å; I1404-C1482 CarbonylContact O-C 3.57Å; I1404-C1482 VanDerWaalsContact O-CA 3.32Å; I1404-C1482 WeakPolarHBondContact O-CA 3.34Å; I1404-V1483 HydrophobicContact CD1-CG2 4.45Å; I1404-V1483 HydrophobicContact CG1-CG2 4.01Å; I1404-V1483 WeakPolarHBondContact CG1-O 3.32Å; I1404-V1483 PolarHBondContact N-O 3.5Å; I1404-V1483 PolarHBondContact O-N 2.94Å; I1404-R1488 HydrophobicContact CD1-CG 4.29Å; I1404-R1488 VanDerWaalsContact CD1-NE 3.34Å; I1404-Y1492 HydrophobicContact CD1-CE2 4.17Å |
| 1405 | L | 86.9 | Confident | 77.1 | Confident | 62 Ų | 62 | 76.3 Ų | 76.3 | 33% | 0.325 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 129.8 | 166.8 | -179.6 | 62.5 | 0 | 0 | 0 | 108.9 | ||
| 1406 | V | 90.5 | Very high | 79.4 | Confident | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 145.8 | 170.9 | -58.1 | 0 | 0 | 0 | 0 | 111.3 | I1404 Q1417 F1418 G1480 K1481 V1483 Y1492 | I1404-V1406 HydrophobicContact CD1-CG1 3.46Å; I1404-V1406 VanDerWaalsContact CD1-CG1 3.46Å; I1404-V1406 HydrophobicContact CG1-CG1 3.99Å; V1406-Q1417 HydrophobicContact CB-CB 4.49Å; V1406-F1418 CarbonylContact C-O 3.23Å; V1406-F1418 WeakPolarHBondContact CA-O 3.44Å; V1406-G1480 CarbonylContact O-C 3.57Å; V1406-G1480 WeakPolarHBondContact O-CA 3.42Å; V1406-K1481 PolarHBondContact N-O 3.17Å; V1406-K1481 PolarHBondContact O-N 3.39Å; V1406-V1483 HydrophobicContact CB-CG2 4.34Å; V1406-V1483 HydrophobicContact CG1-CG2 3.72Å; V1406-V1483 HydrophobicContact CG2-CG1 4.11Å; V1406-V1483 HydrophobicContact CG2-CG2 3.64Å; V1406-Y1492 HydrophobicContact CG1-CD2 4.11Å; V1406-Y1492 HydrophobicContact CG1-CE2 3.74Å |
| 1407 | H | 92 | Very high | 81.4 | Confident | 21 Ų | 21 | 65.7 Ų | 65.7 | 10% | 0.097 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 99.2 | 177.2 | -71 | -76.3 | 0 | 0 | 0 | 109 | F1418 V1421 L1424 S1479 | H1407-F1418 PolarHBondContact N-O 2.97Å; H1407-F1418 PolarHBondContact O-N 3.43Å; H1407-V1421 WeakPolarHBondContact CE1-CG2 3.31Å; H1407-L1424 HydrophobicContact CB-CB 4.24Å; H1407-L1424 HydrophobicContact CB-CD2 3.9Å; H1407-S1479 PolarHBondContact ND1-OG 2.92Å |
| 1408 | C | 91 | Very high | 83.3 | Confident | 14 Ų | 14 | 60.8 Ų | 60.8 | 10% | 0.095 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 130.4 | -178.9 | -53.6 | 0 | 0 | 0 | 0 | 110.5 | R1410 S1479 | C1408-R1410 HydrophobicContact CB-CG 4.15Å; C1408-R1410 PolarHBondContact O-N 2.8Å; C1408-S1479 PolarHBondContact N-O 2.8Å; C1408-S1479 VanDerWaalsContact N-O 3.11Å |
| 1409 | C | 93.1 | Very high | 84.6 | Confident | 5 Ų | 5 | 56.4 Ų | 56.4 | 3% | 0.034 | 29% | 0.294 | C | S | . | . | trans | -64.8 | 134.5 | 153.8 | -163.1 | 0 | 0 | 0 | 0 | 108.2 | C1414 Y1416 F1418 L1424 H1432 | C1409-C1414 HydrophobicContact CB-CB 4.49Å; C1409-Y1416 PolarHBondContact N-O 3.32Å; C1409-F1418 HydrophobicContact CB-CE2 4.49Å; C1409-L1424 HydrophobicContact CB-CD1 3.62Å; C1409-H1432 PolarHBondContact SG-NE2 2.94Å | ||
| 1410 | R | 88.9 | Confident | 85.8 | Confident | 79 Ų | 79 | 55.1 Ų | 55.1 | 30% | 0.298 | 29% | 0.285 | S | S | . | . | trans | -129.9 | 33.3 | 171 | -49.5 | -173.5 | -168.3 | 175.3 | 8.3 | 110.4 | C1408 W1448 L1449 | C1408-R1410 HydrophobicContact CB-CG 4.15Å; C1408-R1410 PolarHBondContact O-N 2.8Å; R1410-W1448 HydrophobicContact CB-CD2 4.15Å; R1410-W1448 HydrophobicContact CB-CH2 4.37Å; R1410-W1448 HydrophobicContact CB-CZ2 3.81Å; R1410-W1448 HydrophobicContact CG-CZ2 4.07Å; R1410-W1448 CarbonylContact O-C 3.6Å; R1410-W1448 WeakPolarHBondContact O-CA 3.48Å; R1410-L1449 HydrophobicContact CB-CB 4.39Å; R1410-L1449 HydrophobicContact CB-CD1 4.3Å; R1410-L1449 WeakPolarHBondContact O-CB 3.48Å; R1410-L1449 PolarHBondContact O-N 3.47Å | ||
| 1411 | W | 89.5 | Confident | 87.1 | Confident | 14 Ų | 14 | 52.6 Ų | 52.6 | 5% | 0.053 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -62.2 | 153.1 | 162.2 | -155.1 | -103.2 | 0 | 0 | 0 | 109 | E1413 C1414 I1428 H1432 T1433 L1447 W1448 I1471 | W1411-E1413 PolarHBondContact O-N 3.06Å; W1411-C1414 HydrophobicContact CB-CB 4.09Å; W1411-C1414 PolarHBondContact O-N 3.17Å; W1411-I1428 HydrophobicContact CE3-CG2 4.47Å; W1411-I1428 HydrophobicContact CZ3-CG2 4.42Å; W1411-H1432 WeakPolarHBondContact CB-CD2 3.47Å; W1411-H1432 WeakPolarHBondContact CB-NE2 3.25Å; W1411-H1432 AromaticContact CD1-CD2 3.82Å; W1411-H1432 AromaticContact CD1-CG 3.6Å; W1411-H1432 AromaticContact CD1-ND1 3.75Å; W1411-H1432 HydrophobicContact CD2-CB 3.88Å; W1411-H1432 AromaticContact CD2-CD2 3.93Å; W1411-H1432 AromaticContact CD2-CG 3.97Å; W1411-H1432 HydrophobicContact CE3-CB 4.44Å; W1411-H1432 HydrophobicContact CG-CB 4.08Å; W1411-H1432 AromaticContact CG-CD2 3.42Å; W1411-H1432 VanDerWaalsContact CG-CD2 3.42Å; W1411-H1432 AromaticContact CG-CG 3.63Å; W1411-H1432 AromaticContact CG-NE2 3.83Å; W1411-H1432 HydrophobicContact CZ2-CB 4.2Å; W1411-H1432 AromaticContact NE1-CG 3.89Å; W1411-T1433 HydrophobicContact CH2-CG2 4.02Å; W1411-T1433 HydrophobicContact CZ2-CG2 4.42Å; W1411-L1447 HydrophobicContact CD2-CB 4.14Å; W1411-L1447 HydrophobicContact CG-CB 4.48Å; W1411-L1447 HydrophobicContact CZ2-CB 3.94Å; W1411-L1447 HydrophobicContact CZ2-CD1 4.35Å; W1411-L1447 HydrophobicContact CZ2-CG 3.99Å; W1411-W1448 HydrophobicContact CE3-CE3 4.26Å; W1411-I1471 HydrophobicContact CH2-CD1 4.3Å; W1411-I1471 HydrophobicContact CZ3-CD1 3.83Å; W1411-I1471 HydrophobicContact CZ3-CG1 4.36Å |
| 1412 | R | 81.3 | Confident | 88.2 | Confident | 114 Ų | 114 | 52 Ų | 52 | 43% | 0.43 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | 132.2 | 171.8 | 170.3 | -174.9 | -85.7 | -89.2 | 10.8 | 109.2 | C1414 L1447 Y1454 | R1412-C1414 PolarHBondContact O-N 3.35Å; R1412-C1414 VanDerWaalsContact O-N 3.13Å; R1412-L1447 HydrophobicContact CB-CB 3.92Å; R1412-L1447 WeakPolarHBondContact CB-O 3.39Å; R1412-L1447 PolarHBondContact N-O 3.39Å; R1412-Y1454 PolarHBondContact NE-OH 3.24Å; R1412-Y1454 VanDerWaalsContact NE-OH 3.08Å; R1412-Y1454 PolarHBondContact NH2-OH 3.1Å; R1412-Y1454 VanDerWaalsContact NH2-OH 3.08Å |
| 1413 | E | 80.6 | Confident | 89.2 | Confident | 165 Ų | 165 | 50.9 Ų | 50.9 | 77% | 0.771 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 16.7 | 178.2 | -67.8 | 130 | -130 | 0 | 0 | 116 | W1411 | W1411-E1413 PolarHBondContact O-N 3.06Š|
| 1414 | C | 90.5 | Very high | 89.6 | Confident | 17 Ų | 17 | 49 Ų | 49 | 12% | 0.115 | 23% | 0.234 | C | C | . | . | trans | -112 | 133.3 | 172.4 | -170.6 | 0 | 0 | 0 | 0 | 112.8 | C1409 W1411 R1412 H1427 H1432 | C1409-C1414 HydrophobicContact CB-CB 4.49Å; W1411-C1414 HydrophobicContact CB-CB 4.09Å; W1411-C1414 PolarHBondContact O-N 3.17Å; R1412-C1414 PolarHBondContact O-N 3.35Å; R1412-C1414 VanDerWaalsContact O-N 3.13Å; C1414-H1427 PolarHBondContact SG-NE2 2.91Å; C1414-H1432 WeakPolarHBondContact CB-NE2 3.39Å; C1414-H1432 PolarHBondContact SG-NE2 3.14Å; C1414-H1432 VanDerWaalsContact SG-NE2 3.4Å | ||
| 1415 | D | 89.4 | Confident | 89.9 | Confident | 66 Ų | 66 | 49.5 Ų | 49.5 | 35% | 0.353 | 24% | 0.238 | S | C | . | . | trans | -121.2 | 9.8 | -177.5 | 64.8 | -19.2 | 0 | 0 | 0 | 113.7 | S1489 K1490 H1491 | D1415-S1489 VanDerWaalsContact O-CB 3.29Å; D1415-S1489 WeakPolarHBondContact O-CB 3.39Å; D1415-S1489 PolarHBondContact O-OG 3.26Å; D1415-K1490 WeakPolarHBondContact OD2-CE 3.46Å; D1415-K1490 IonicContact OD2-NZ 2.74Å; D1415-H1491 IonicContact OD1-CE1 3.45Å; D1415-H1491 IonicContact OD1-CG 3.15Å; D1415-H1491 IonicContact OD1-ND1 2.73Å; D1415-H1491 PolarHBondContact OD1-ND1 3.11Å; D1415-H1491 IonicContact OD2-CE1 3.83Å; D1415-H1491 IonicContact OD2-ND1 3.63Å; D1415-H1491 PolarHBondContact OD2-ND1 2.86Å | ||
| 1416 | Y | 93.5 | Very high | 90.1 | Very high | 89 Ų | 89 | 52.6 Ų | 52.6 | 35% | 0.349 | 25% | 0.25 | S | S | . | . | trans | -63.7 | 143.5 | 178.9 | -84.5 | -110.2 | 0 | 0 | 0 | 112.4 | C1409 F1418 H1427 H1491 V1493 | C1409-Y1416 PolarHBondContact N-O 3.32Å; Y1416-F1418 HydrophobicContact CD1-CE1 4.43Å; Y1416-F1418 AromaticContact CD1-CZ 3.84Å; Y1416-F1418 HydrophobicContact CD1-CZ 3.84Å; Y1416-F1418 HydrophobicContact CG-CZ 4.22Å; Y1416-H1427 AromaticContact CD2-CE1 3.99Å; Y1416-H1427 AromaticContact CG-CE1 3.74Å; Y1416-H1491 WeakPolarHBondContact CA-O 3.33Å; Y1416-H1491 HydrophobicContact CD1-CB 3.9Å; Y1416-H1491 HydrophobicContact CD2-CB 3.73Å; Y1416-H1491 AromaticContact CD2-ND1 3.87Å; Y1416-H1491 HydrophobicContact CE1-CB 4Å; Y1416-H1491 HydrophobicContact CE2-CB 3.83Å; Y1416-H1491 AromaticContact CE2-CG 3.78Å; Y1416-H1491 AromaticContact CE2-ND1 3.59Å; Y1416-H1491 HydrophobicContact CG-CB 3.76Å; Y1416-V1493 HydrophobicContact CD1-CG2 4.14Å; Y1416-V1493 HydrophobicContact CE1-CG2 4.4Å | ||
| 1417 | Q | 93.6 | Very high | 90.3 | Very high | 26 Ų | 26 | 53.6 Ų | 53.6 | 12% | 0.121 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 139.3 | 176.2 | -68.4 | 177.9 | 1.8 | 0 | 0 | 109.9 | V1406 S1489 H1491 Y1492 V1493 | V1406-Q1417 HydrophobicContact CB-CB 4.49Å; Q1417-S1489 VanDerWaalsContact CD-N 3.35Å; Q1417-H1491 PolarHBondContact N-O 3.06Å; Q1417-Y1492 HydrophobicContact CB-CD2 3.97Å; Q1417-Y1492 CarbonylContact O-C 3.57Å; Q1417-Y1492 WeakPolarHBondContact O-CA 3.42Å; Q1417-V1493 PolarHBondContact O-N 2.94Å |
| 1418 | F | 93.7 | Very high | 90.2 | Very high | 11 Ų | 11 | 52.7 Ų | 52.7 | 5% | 0.048 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 158.1 | -177.3 | -59.5 | -82.1 | 0 | 0 | 0 | 111.2 | V1406 H1407 C1409 Y1416 Q1423 L1424 H1427 V1493 | V1406-F1418 CarbonylContact C-O 3.23Å; V1406-F1418 WeakPolarHBondContact CA-O 3.44Å; H1407-F1418 PolarHBondContact N-O 2.97Å; H1407-F1418 PolarHBondContact O-N 3.43Å; C1409-F1418 HydrophobicContact CB-CE2 4.49Å; Y1416-F1418 HydrophobicContact CD1-CE1 4.43Å; Y1416-F1418 AromaticContact CD1-CZ 3.84Å; Y1416-F1418 HydrophobicContact CD1-CZ 3.84Å; Y1416-F1418 HydrophobicContact CG-CZ 4.22Å; F1418-Q1423 HydrophobicContact CB-CB 3.77Å; F1418-Q1423 HydrophobicContact CD1-CB 3.71Å; F1418-Q1423 HydrophobicContact CG-CB 3.96Å; F1418-L1424 HydrophobicContact CB-CB 4.24Å; F1418-L1424 HydrophobicContact CD2-CB 3.72Å; F1418-L1424 HydrophobicContact CD2-CD1 3.75Å; F1418-L1424 HydrophobicContact CD2-CG 4.32Å; F1418-L1424 HydrophobicContact CE2-CB 4.5Å; F1418-L1424 HydrophobicContact CE2-CD1 3.91Å; F1418-L1424 HydrophobicContact CG-CB 4.17Å; F1418-H1427 HydrophobicContact CE1-CB 4.02Å; F1418-H1427 HydrophobicContact CE2-CB 3.73Å; F1418-H1427 AromaticContact CE2-CD2 3.6Å; F1418-H1427 AromaticContact CE2-CG 3.61Å; F1418-H1427 HydrophobicContact CZ-CB 3.35Å; F1418-H1427 AromaticContact CZ-CD2 3.76Å; F1418-H1427 AromaticContact CZ-CG 3.3Å; F1418-H1427 AromaticContact CZ-ND1 3.63Å; F1418-V1493 HydrophobicContact CD1-CB 3.75Å; F1418-V1493 HydrophobicContact CD1-CG1 4.26Å; F1418-V1493 HydrophobicContact CD1-CG2 4.18Å; F1418-V1493 HydrophobicContact CE1-CB 3.87Å; F1418-V1493 HydrophobicContact CE1-CG1 4.36Å; F1418-V1493 HydrophobicContact CE1-CG2 3.77Å |
| 1419 | E | 87.4 | Confident | 90.1 | Very high | 74 Ų | 74 | 54.5 Ų | 54.5 | 35% | 0.346 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -83.5 | -24 | 176.8 | -161.7 | 162.9 | 178.8 | 0 | 0 | 112 | Y1492 V1493 P1494 L1495 | E1419-Y1492 PolarHBondContact OE2-OH 3.47Å; E1419-V1493 PolarHBondContact N-O 3.47Å; E1419-P1494 WeakPolarHBondContact OE2-CA 3.5Å; E1419-L1495 HydrophobicContact CB-CD1 4.44Å; E1419-L1495 HydrophobicContact CB-CG 4.27Å; E1419-L1495 HydrophobicContact CG-CD1 4.16Å; E1419-L1495 HydrophobicContact CG-CG 4.45Å; E1419-L1495 PolarHBondContact OE2-N 3.38Å |
| 1420 | T | 89.2 | Confident | 89.9 | Confident | 37 Ų | 37 | 58.2 Ų | 58.2 | 23% | 0.227 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -122.7 | 158.2 | 174.9 | 78.9 | 0 | 0 | 0 | 0 | 114 | D1422 Q1423 L1424 L1495 | T1420-D1422 PolarHBondContact O-N 3Å; T1420-D1422 PolarHBondContact OG1-N 3.31Å; T1420-Q1423 VanDerWaalsContact N-OE1 3.14Å; T1420-Q1423 WeakPolarHBondContact OG1-CG 3.33Å; T1420-Q1423 PolarHBondContact OG1-N 3.31Å; T1420-L1424 PolarHBondContact O-N 3.31Å; T1420-L1495 HydrophobicContact CG2-CD1 3.8Å; T1420-L1495 HydrophobicContact CG2-CD2 4.19Å; T1420-L1495 HydrophobicContact CG2-CG 4.06Å |
| 1421 | V | 89.5 | Confident | 89.8 | Confident | 51 Ų | 51 | 56.9 Ų | 56.9 | 31% | 0.309 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.8 | -32.9 | 171 | -179.5 | 0 | 0 | 0 | 0 | 111.2 | H1407 L1424 N1425 L1476 | H1407-V1421 WeakPolarHBondContact CE1-CG2 3.31Å; V1421-L1424 PolarHBondContact O-N 3.28Å; V1421-N1425 WeakPolarHBondContact O-CB 3.45Å; V1421-N1425 PolarHBondContact O-N 3.27Å; V1421-L1476 HydrophobicContact CG1-CB 4.11Å; V1421-L1476 HydrophobicContact CG1-CD1 4.33Å; V1421-L1476 HydrophobicContact CG1-CD2 4.25Å; V1421-L1476 HydrophobicContact CG1-CG 4.47Å |
| 1422 | D | 89.6 | Confident | 89.8 | Confident | 112 Ų | 112 | 57.9 Ų | 57.9 | 60% | 0.599 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -77.3 | -40.8 | -174.2 | -59.6 | -64.9 | 0 | 0 | 0 | 112 | T1420 L1424 N1425 E1426 | T1420-D1422 PolarHBondContact O-N 3Å; T1420-D1422 PolarHBondContact OG1-N 3.31Å; D1422-L1424 VanDerWaalsContact C-N 3.27Å; D1422-L1424 PolarHBondContact O-N 3.35Å; D1422-N1425 PolarHBondContact O-N 3.38Å; D1422-N1425 VanDerWaalsContact O-N 3.12Å; D1422-E1426 WeakPolarHBondContact O-CB 3.27Å; D1422-E1426 PolarHBondContact O-N 3.38Å |
| 1423 | Q | 92.8 | Very high | 90 | Very high | 34 Ų | 34 | 52.5 Ų | 52.5 | 16% | 0.159 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -55.1 | -43.7 | 167.6 | -77.3 | 178.3 | -38.2 | 0 | 0 | 111.2 | F1418 T1420 E1426 H1427 P1494 | F1418-Q1423 HydrophobicContact CB-CB 3.77Å; F1418-Q1423 HydrophobicContact CD1-CB 3.71Å; F1418-Q1423 HydrophobicContact CG-CB 3.96Å; T1420-Q1423 VanDerWaalsContact N-OE1 3.14Å; T1420-Q1423 WeakPolarHBondContact OG1-CG 3.33Å; T1420-Q1423 PolarHBondContact OG1-N 3.31Å; Q1423-E1426 PolarHBondContact O-N 3.27Å; Q1423-H1427 WeakPolarHBondContact O-CB 3.21Å; Q1423-H1427 PolarHBondContact O-N 3.06Å; Q1423-P1494 PolarHBondContact NE2-O 3.19Å; Q1423-P1494 VanDerWaalsContact NE2-O 3.13Å |
| 1424 | L | 93.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.3 | -41.2 | 175.4 | 172.6 | 60.7 | 0 | 0 | 0 | 112.3 | H1407 C1409 F1418 T1420 V1421 D1422 H1427 I1428 W1448 L1476 | H1407-L1424 HydrophobicContact CB-CB 4.24Å; H1407-L1424 HydrophobicContact CB-CD2 3.9Å; C1409-L1424 HydrophobicContact CB-CD1 3.62Å; F1418-L1424 HydrophobicContact CB-CB 4.24Å; F1418-L1424 HydrophobicContact CD2-CB 3.72Å; F1418-L1424 HydrophobicContact CD2-CD1 3.75Å; F1418-L1424 HydrophobicContact CD2-CG 4.32Å; F1418-L1424 HydrophobicContact CE2-CB 4.5Å; F1418-L1424 HydrophobicContact CE2-CD1 3.91Å; F1418-L1424 HydrophobicContact CG-CB 4.17Å; T1420-L1424 PolarHBondContact O-N 3.31Å; V1421-L1424 PolarHBondContact O-N 3.28Å; D1422-L1424 VanDerWaalsContact C-N 3.27Å; D1422-L1424 PolarHBondContact O-N 3.35Å; L1424-H1427 PolarHBondContact O-N 3.25Å; L1424-I1428 HydrophobicContact CD1-CD1 3.82Å; L1424-I1428 HydrophobicContact CD1-CG1 4.04Å; L1424-I1428 HydrophobicContact CG-CD1 3.87Å; L1424-I1428 WeakPolarHBondContact O-CD1 3.07Å; L1424-I1428 VanDerWaalsContact O-CG1 3.23Å; L1424-I1428 WeakPolarHBondContact O-CG1 3.37Å; L1424-I1428 PolarHBondContact O-N 3.01Å; L1424-W1448 HydrophobicContact CD2-CH2 4.36Å; L1424-L1476 HydrophobicContact CB-CD2 4.43Å; L1424-L1476 HydrophobicContact CD2-CD2 3.72Å; L1424-L1476 HydrophobicContact CG-CD2 3.75Å |
| 1425 | N | 92.2 | Very high | 89.1 | Confident | 49 Ų | 49 | 54.9 Ų | 54.9 | 26% | 0.262 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.8 | -39.9 | 177.1 | 178.6 | 90.4 | 0 | 0 | 0 | 111.9 | V1421 D1422 T1429 L1476 | V1421-N1425 WeakPolarHBondContact O-CB 3.45Å; V1421-N1425 PolarHBondContact O-N 3.27Å; D1422-N1425 PolarHBondContact O-N 3.38Å; D1422-N1425 VanDerWaalsContact O-N 3.12Å; N1425-T1429 WeakPolarHBondContact O-CB 3.49Å; N1425-T1429 PolarHBondContact O-N 3.01Å; N1425-T1429 VanDerWaalsContact O-N 3.08Å; N1425-T1429 PolarHBondContact O-OG1 2.86Å; N1425-L1476 HydrophobicContact CB-CD1 3.8Å; N1425-L1476 HydrophobicContact CB-CD2 4.43Å; N1425-L1476 WeakPolarHBondContact OD1-CD1 3.46Å |
| 1426 | E | 91.4 | Very high | 88.1 | Confident | 127 Ų | 127 | 53.5 Ų | 53.5 | 59% | 0.593 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -60.8 | -51.6 | 172.7 | -177.3 | 175.8 | -170.8 | 0 | 0 | 110.6 | D1422 Q1423 I1428 T1429 T1430 | D1422-E1426 WeakPolarHBondContact O-CB 3.27Å; D1422-E1426 PolarHBondContact O-N 3.38Å; Q1423-E1426 PolarHBondContact O-N 3.27Å; E1426-I1428 PolarHBondContact O-N 3.25Å; E1426-T1429 CarbonylContact O-C 3.59Å; E1426-T1429 WeakPolarHBondContact O-CA 3.27Å; E1426-T1429 VanDerWaalsContact O-CB 3.27Å; E1426-T1429 WeakPolarHBondContact O-CB 3.45Å; E1426-T1429 PolarHBondContact O-N 3.46Å; E1426-T1430 HydrophobicContact CG-CG2 4.33Å; E1426-T1430 PolarHBondContact O-N 2.91Å; E1426-T1430 PolarHBondContact O-OG1 3.06Å; E1426-T1430 VanDerWaalsContact O-OG1 3.07Å |
| 1427 | H | 92.9 | Very high | 86.4 | Confident | 20 Ų | 20 | 54.3 Ų | 54.3 | 9% | 0.093 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -56.6 | -42.9 | 176.4 | 168.8 | 81.7 | 0 | 0 | 0 | 113.6 | C1414 Y1416 F1418 Q1423 L1424 T1429 T1430 A1431 H1432 | C1414-H1427 PolarHBondContact SG-NE2 2.91Å; Y1416-H1427 AromaticContact CD2-CE1 3.99Å; Y1416-H1427 AromaticContact CG-CE1 3.74Å; F1418-H1427 HydrophobicContact CE1-CB 4.02Å; F1418-H1427 HydrophobicContact CE2-CB 3.73Å; F1418-H1427 AromaticContact CE2-CD2 3.6Å; F1418-H1427 AromaticContact CE2-CG 3.61Å; F1418-H1427 HydrophobicContact CZ-CB 3.35Å; F1418-H1427 AromaticContact CZ-CD2 3.76Å; F1418-H1427 AromaticContact CZ-CG 3.3Å; F1418-H1427 AromaticContact CZ-ND1 3.63Å; Q1423-H1427 WeakPolarHBondContact O-CB 3.21Å; Q1423-H1427 PolarHBondContact O-N 3.06Å; L1424-H1427 PolarHBondContact O-N 3.25Å; H1427-T1429 PolarHBondContact O-N 3.38Å; H1427-T1430 PolarHBondContact O-N 3.11Å; H1427-T1430 PolarHBondContact O-OG1 3.31Å; H1427-A1431 VanDerWaalsContact O-CB 3.27Å; H1427-A1431 WeakPolarHBondContact O-CB 3.47Å; H1427-A1431 PolarHBondContact O-N 3.1Å; H1427-H1432 AromaticContact CD2-NE2 3.96Å; H1427-H1432 AromaticContact NE2-CE1 3.85Å; H1427-H1432 AromaticContact NE2-NE2 3.28Å; H1427-H1432 PolarHBondContact NE2-NE2 3.49Å |
| 1428 | I | 90.3 | Very high | 84.6 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.6 | -31.8 | 175.9 | -62 | 157.3 | 0 | 0 | 0 | 111 | W1411 L1424 E1426 H1432 T1433 W1448 I1471 L1476 | W1411-I1428 HydrophobicContact CE3-CG2 4.47Å; W1411-I1428 HydrophobicContact CZ3-CG2 4.42Å; L1424-I1428 HydrophobicContact CD1-CD1 3.82Å; L1424-I1428 HydrophobicContact CD1-CG1 4.04Å; L1424-I1428 HydrophobicContact CG-CD1 3.87Å; L1424-I1428 WeakPolarHBondContact O-CD1 3.07Å; L1424-I1428 VanDerWaalsContact O-CG1 3.23Å; L1424-I1428 WeakPolarHBondContact O-CG1 3.37Å; L1424-I1428 PolarHBondContact O-N 3.01Å; E1426-I1428 PolarHBondContact O-N 3.25Å; I1428-H1432 HydrophobicContact CG2-CB 4.37Å; I1428-H1432 WeakPolarHBondContact O-CB 3.45Å; I1428-H1432 PolarHBondContact O-N 3.47Å; I1428-T1433 HydrophobicContact CG2-CG2 4.39Å; I1428-T1433 PolarHBondContact O-N 3.26Å; I1428-T1433 VanDerWaalsContact O-N 3.15Å; I1428-T1433 PolarHBondContact O-OG1 3.11Å; I1428-W1448 HydrophobicContact CD1-CH2 4.34Å; I1428-W1448 HydrophobicContact CD1-CZ3 3.68Å; I1428-W1448 HydrophobicContact CG1-CZ3 4.28Å; I1428-I1471 HydrophobicContact CD1-CG2 4.01Å; I1428-I1471 HydrophobicContact CG2-CD1 4.01Å; I1428-I1471 HydrophobicContact CG2-CG2 4.24Å; I1428-L1476 HydrophobicContact CD1-CD2 3.8Å |
| 1429 | T | 89.4 | Confident | 82.4 | Confident | 53 Ų | 53 | 63.7 Ų | 63.7 | 33% | 0.325 | 36% | 0.356 | S | S | . | . | I | π-helix | trans | -70.4 | -49.9 | 176.7 | -56.2 | 0 | 0 | 0 | 0 | 110.4 | N1425 E1426 H1427 T1433 S1434 | N1425-T1429 WeakPolarHBondContact O-CB 3.49Å; N1425-T1429 PolarHBondContact O-N 3.01Å; N1425-T1429 VanDerWaalsContact O-N 3.08Å; N1425-T1429 PolarHBondContact O-OG1 2.86Å; E1426-T1429 CarbonylContact O-C 3.59Å; E1426-T1429 WeakPolarHBondContact O-CA 3.27Å; E1426-T1429 VanDerWaalsContact O-CB 3.27Å; E1426-T1429 WeakPolarHBondContact O-CB 3.45Å; E1426-T1429 PolarHBondContact O-N 3.46Å; H1427-T1429 PolarHBondContact O-N 3.38Å; T1429-T1433 WeakPolarHBondContact CA-OG1 3.47Å; T1429-T1433 PolarHBondContact O-OG1 3.31Å; T1429-S1434 WeakPolarHBondContact O-CB 3.39Å; T1429-S1434 PolarHBondContact O-N 3.36Å |
| 1430 | T | 89.5 | Confident | 80.7 | Confident | 83 Ų | 83 | 62.1 Ų | 62.1 | 51% | 0.509 | 36% | 0.359 | S | S | . | . | I | π-helix | trans | -81.2 | -37.8 | -173.7 | 55.2 | 0 | 0 | 0 | 0 | 114.4 | E1426 H1427 S1434 | E1426-T1430 HydrophobicContact CG-CG2 4.33Å; E1426-T1430 PolarHBondContact O-N 2.91Å; E1426-T1430 PolarHBondContact O-OG1 3.06Å; E1426-T1430 VanDerWaalsContact O-OG1 3.07Å; H1427-T1430 PolarHBondContact O-N 3.11Å; H1427-T1430 PolarHBondContact O-OG1 3.31Å; T1430-S1434 WeakPolarHBondContact O-CB 3.16Å; T1430-S1434 PolarHBondContact O-OG 3.08Å |
| 1431 | A | 87 | Confident | 78.8 | Confident | 51 Ų | 51 | 67.8 Ų | 67.8 | 42% | 0.421 | 39% | 0.388 | S | S | . | . | I | π-helix | trans | -102.1 | -14.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | H1427 | H1427-A1431 VanDerWaalsContact O-CB 3.27Å; H1427-A1431 WeakPolarHBondContact O-CB 3.47Å; H1427-A1431 PolarHBondContact O-N 3.1Å |
| 1432 | H | 88.8 | Confident | 77.1 | Confident | 34 Ų | 34 | 70.4 Ų | 70.4 | 16% | 0.157 | 40% | 0.4 | C | S | . | . | I | π-helix | trans | -130.2 | -15.7 | -171.5 | -62.8 | -23.5 | 0 | 0 | 0 | 115.5 | C1409 W1411 C1414 H1427 I1428 | C1409-H1432 PolarHBondContact SG-NE2 2.94Å; W1411-H1432 WeakPolarHBondContact CB-CD2 3.47Å; W1411-H1432 WeakPolarHBondContact CB-NE2 3.25Å; W1411-H1432 AromaticContact CD1-CD2 3.82Å; W1411-H1432 AromaticContact CD1-CG 3.6Å; W1411-H1432 AromaticContact CD1-ND1 3.75Å; W1411-H1432 HydrophobicContact CD2-CB 3.88Å; W1411-H1432 AromaticContact CD2-CD2 3.93Å; W1411-H1432 AromaticContact CD2-CG 3.97Å; W1411-H1432 HydrophobicContact CE3-CB 4.44Å; W1411-H1432 HydrophobicContact CG-CB 4.08Å; W1411-H1432 AromaticContact CG-CD2 3.42Å; W1411-H1432 VanDerWaalsContact CG-CD2 3.42Å; W1411-H1432 AromaticContact CG-CG 3.63Å; W1411-H1432 AromaticContact CG-NE2 3.83Å; W1411-H1432 HydrophobicContact CZ2-CB 4.2Å; W1411-H1432 AromaticContact NE1-CG 3.89Å; C1414-H1432 WeakPolarHBondContact CB-NE2 3.39Å; C1414-H1432 PolarHBondContact SG-NE2 3.14Å; C1414-H1432 VanDerWaalsContact SG-NE2 3.4Å; H1427-H1432 AromaticContact CD2-NE2 3.96Å; H1427-H1432 AromaticContact NE2-CE1 3.85Å; H1427-H1432 AromaticContact NE2-NE2 3.28Å; H1427-H1432 PolarHBondContact NE2-NE2 3.49Å; I1428-H1432 HydrophobicContact CG2-CB 4.37Å; I1428-H1432 WeakPolarHBondContact O-CB 3.45Å; I1428-H1432 PolarHBondContact O-N 3.47Å |
| 1433 | T | 85.8 | Confident | 76 | Confident | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.006 | 39% | 0.386 | C | S | . | . | I | π-helix | trans | -135.3 | -8.4 | -176.5 | 59.8 | 0 | 0 | 0 | 0 | 114.9 | W1411 I1428 T1429 Q1435 L1436 L1467 H1468 I1471 | W1411-T1433 HydrophobicContact CH2-CG2 4.02Å; W1411-T1433 HydrophobicContact CZ2-CG2 4.42Å; I1428-T1433 HydrophobicContact CG2-CG2 4.39Å; I1428-T1433 PolarHBondContact O-N 3.26Å; I1428-T1433 VanDerWaalsContact O-N 3.15Å; I1428-T1433 PolarHBondContact O-OG1 3.11Å; T1429-T1433 WeakPolarHBondContact CA-OG1 3.47Å; T1429-T1433 PolarHBondContact O-OG1 3.31Å; T1433-Q1435 VanDerWaalsContact C-N 3.31Å; T1433-Q1435 PolarHBondContact O-N 3.13Å; T1433-L1436 HydrophobicContact CG2-CD1 4.14Å; T1433-L1436 PolarHBondContact O-N 2.96Å; T1433-L1467 HydrophobicContact CG2-CD2 4.02Å; T1433-H1468 PolarHBondContact OG1-NE2 3.32Å; T1433-I1471 HydrophobicContact CG2-CD1 4.37Å |
| 1434 | S | 81.4 | Confident | 75.5 | Confident | 57 Ų | 57 | 69.1 Ų | 69.1 | 40% | 0.399 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -31 | 175.6 | 54.5 | 0 | 0 | 0 | 0 | 114.5 | T1429 T1430 V1437 | T1429-S1434 WeakPolarHBondContact O-CB 3.39Å; T1429-S1434 PolarHBondContact O-N 3.36Å; T1430-S1434 WeakPolarHBondContact O-CB 3.16Å; T1430-S1434 PolarHBondContact O-OG 3.08Å; S1434-V1437 VanDerWaalsContact O-CG2 3.3Å; S1434-V1437 WeakPolarHBondContact O-CG2 3.45Å |
| 1435 | Q | 70.5 | Confident | 75 | Confident | 176 Ų | 176 | 70.5 Ų | 70.5 | 82% | 0.822 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -5 | -176.8 | -63.2 | 178.4 | -2.6 | 0 | 0 | 113.5 | T1433 V1437 | T1433-Q1435 VanDerWaalsContact C-N 3.31Å; T1433-Q1435 PolarHBondContact O-N 3.13Å; Q1435-V1437 PolarHBondContact O-N 3.49Å |
| 1436 | L | 68.6 | Low | 74.9 | Confident | 36 Ų | 36 | 68.2 Ų | 68.2 | 19% | 0.188 | 39% | 0.385 | C | S | . | . | trans | -84.8 | 51.7 | -175.7 | -56.5 | 178.2 | 0 | 0 | 0 | 111.7 | T1433 Y1444 L1464 L1467 | T1433-L1436 HydrophobicContact CG2-CD1 4.14Å; T1433-L1436 PolarHBondContact O-N 2.96Å; L1436-Y1444 HydrophobicContact CB-CD1 4.27Å; L1436-Y1444 HydrophobicContact CB-CE1 4.31Å; L1436-Y1444 WeakPolarHBondContact O-CE1 3.47Å; L1436-L1464 HydrophobicContact CB-CD1 4.38Å; L1436-L1467 HydrophobicContact CD1-CD2 3.82Å | ||
| 1437 | V | 57.9 | Low | 74.7 | Confident | 107 Ų | 107 | 64.6 Ų | 64.6 | 65% | 0.648 | 37% | 0.37 | S | S | * | . | trans | -126.2 | 36.4 | -166.8 | -160.8 | 0 | 0 | 0 | 0 | 112.1 | S1434 Q1435 | S1434-V1437 VanDerWaalsContact O-CG2 3.3Å; S1434-V1437 WeakPolarHBondContact O-CG2 3.45Å; Q1435-V1437 PolarHBondContact O-N 3.49Å | ||
| 1438 | D | 56 | Low | 74.5 | Confident | 106 Ų | 106 | 63.8 Ų | 63.8 | 57% | 0.567 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -112.9 | 147.4 | 171.6 | -126.2 | -27.4 | 0 | 0 | 0 | 110.9 | G1440 Q1443 | D1438-G1440 PolarHBondContact O-N 3.48Å; D1438-Q1443 VanDerWaalsContact N-OE1 3.15Å; D1438-Q1443 PolarHBondContact O-OE1 2.89Å |
| 1439 | P | 47.4 | Very low | 74.2 | Confident | 128 Ų | 128 | 67.7 Ų | 67.7 | 83% | 0.831 | 39% | 0.386 | S | S | * | . | trans | -69.3 | 12.1 | -173.1 | -22.4 | 35.5 | 0 | 0 | 0 | 117.6 | ||||
| 1440 | G | 51 | Low | 73.8 | Confident | 40 Ų | 40 | 69 Ų | 69 | 41% | 0.412 | 39% | 0.394 | S | S | . | . | trans | -79.2 | 131.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | D1438 N1442 Q1443 | D1438-G1440 PolarHBondContact O-N 3.48Å; G1440-N1442 PolarHBondContact O-N 3.41Å; G1440-Q1443 PolarHBondContact O-N 3.05Å | ||
| 1441 | D | 50.3 | Low | 73.5 | Confident | 156 Ų | 156 | 65 Ų | 65 | 83% | 0.834 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -7 | -168.9 | -87.8 | -54.4 | 0 | 0 | 0 | 118.2 | ||
| 1442 | N | 53.9 | Low | 73 | Confident | 106 Ų | 106 | 66.1 Ų | 66.1 | 57% | 0.567 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.9 | 0.7 | -172.3 | -76.4 | -67.7 | 0 | 0 | 0 | 116.2 | G1440 V1445 | G1440-N1442 PolarHBondContact O-N 3.41Å; N1442-V1445 WeakPolarHBondContact O-CG2 3.1Å |
| 1443 | Q | 65.2 | Low | 72.2 | Confident | 62 Ų | 62 | 69.2 Ų | 69.2 | 29% | 0.29 | 39% | 0.392 | S | S | . | . | trans | -72.4 | -38.1 | -166.3 | -65.9 | -163.3 | -6.9 | 0 | 0 | 116.3 | D1438 G1440 V1445 | D1438-Q1443 VanDerWaalsContact N-OE1 3.15Å; D1438-Q1443 PolarHBondContact O-OE1 2.89Å; G1440-Q1443 PolarHBondContact O-N 3.05Å; Q1443-V1445 VanDerWaalsContact C-N 3.26Å; Q1443-V1445 PolarHBondContact O-N 3.46Å | ||
| 1444 | Y | 83 | Confident | 71.3 | Confident | 57 Ų | 57 | 72.6 Ų | 72.6 | 22% | 0.224 | 41% | 0.405 | C | S | . | . | trans | -80.1 | 52.5 | -168.2 | -54.5 | -70 | 0 | 0 | 0 | 114.8 | L1436 F1461 L1464 | L1436-Y1444 HydrophobicContact CB-CD1 4.27Å; L1436-Y1444 HydrophobicContact CB-CE1 4.31Å; L1436-Y1444 WeakPolarHBondContact O-CE1 3.47Å; Y1444-F1461 VanDerWaalsContact CB-O 3.24Å; Y1444-F1461 WeakPolarHBondContact CB-O 3.42Å; Y1444-F1461 WeakPolarHBondContact CD2-O 3.26Å; Y1444-F1461 WeakPolarHBondContact O-CD2 3.39Å; Y1444-F1461 PolarHBondContact O-N 3.15Å; Y1444-L1464 HydrophobicContact CD1-CB 3.96Å; Y1444-L1464 HydrophobicContact CD1-CD1 3.89Å; Y1444-L1464 HydrophobicContact CE1-CB 3.6Å; Y1444-L1464 HydrophobicContact CE1-CD1 3.98Å; Y1444-L1464 HydrophobicContact CE1-CG 4.34Å | ||
| 1445 | V | 83.2 | Confident | 70.3 | Confident | 29 Ų | 29 | 78.1 Ų | 78.1 | 18% | 0.176 | 42% | 0.417 | C | S | . | . | trans | -89.1 | 138.6 | 178.4 | -174.8 | 0 | 0 | 0 | 0 | 111.1 | N1442 Q1443 L1447 Y1454 P1460 | N1442-V1445 WeakPolarHBondContact O-CG2 3.1Å; Q1443-V1445 VanDerWaalsContact C-N 3.26Å; Q1443-V1445 PolarHBondContact O-N 3.46Å; V1445-L1447 HydrophobicContact CB-CD2 4.23Å; V1445-L1447 HydrophobicContact CG1-CD2 3.89Å; V1445-L1447 PolarHBondContact O-N 2.86Å; V1445-Y1454 HydrophobicContact CG1-CD2 3.61Å; V1445-Y1454 HydrophobicContact CG1-CE2 3.99Å; V1445-P1460 HydrophobicContact CG2-CB 4.03Å | ||
| 1446 | C | 89.5 | Confident | 69.4 | Low | 2 Ų | 2 | 78.4 Ų | 78.4 | 1% | 0.014 | 42% | 0.416 | C | S | . | . | trans | -87.4 | 94.1 | 177.3 | -178.8 | 0 | 0 | 0 | 0 | 111.7 | W1448 Y1454 F1461 L1467 H1470 H1475 | C1446-W1448 PolarHBondContact O-N 2.78Å; C1446-Y1454 WeakPolarHBondContact O-CB 3.4Å; C1446-F1461 HydrophobicContact CB-CD2 4.5Å; C1446-F1461 HydrophobicContact CB-CE2 3.87Å; C1446-L1467 HydrophobicContact CB-CD1 3.49Å; C1446-L1467 VanDerWaalsContact CB-CD1 3.49Å; C1446-H1470 VanDerWaalsContact SG-CD2 3.54Å; C1446-H1475 PolarHBondContact SG-CD2 3.22Å; C1446-H1475 PolarHBondContact SG-NE2 3.32Å | ||
| 1447 | L | 86.8 | Confident | 68.9 | Low | 51 Ų | 51 | 81.4 Ų | 81.4 | 27% | 0.267 | 43% | 0.429 | S | S | . | . | trans | -77.1 | 15.1 | -175.7 | -49 | 179 | 0 | 0 | 0 | 114.8 | W1411 R1412 V1445 L1449 Y1454 | W1411-L1447 HydrophobicContact CD2-CB 4.14Å; W1411-L1447 HydrophobicContact CG-CB 4.48Å; W1411-L1447 HydrophobicContact CZ2-CB 3.94Å; W1411-L1447 HydrophobicContact CZ2-CD1 4.35Å; W1411-L1447 HydrophobicContact CZ2-CG 3.99Å; R1412-L1447 HydrophobicContact CB-CB 3.92Å; R1412-L1447 WeakPolarHBondContact CB-O 3.39Å; R1412-L1447 PolarHBondContact N-O 3.39Å; V1445-L1447 HydrophobicContact CB-CD2 4.23Å; V1445-L1447 HydrophobicContact CG1-CD2 3.89Å; V1445-L1447 PolarHBondContact O-N 2.86Å; L1447-L1449 PolarHBondContact O-N 2.53Å; L1447-Y1454 HydrophobicContact CD2-CD2 4.07Å; L1447-Y1454 HydrophobicContact CD2-CE1 4.48Å; L1447-Y1454 HydrophobicContact CD2-CE2 3.44Å; L1447-Y1454 VanDerWaalsContact CD2-CE2 3.44Å | ||
| 1448 | W | 88.6 | Confident | 68.9 | Low | 2 Ų | 2 | 78.1 Ų | 78.1 | 1% | 0.008 | 42% | 0.416 | C | S | . | . | B | Isolated β-bridge | trans | -61.6 | 126.6 | 177.2 | -165.5 | -89.4 | 0 | 0 | 0 | 111.4 | R1410 W1411 L1424 I1428 C1446 T1450 C1451 H1475 | R1410-W1448 HydrophobicContact CB-CD2 4.15Å; R1410-W1448 HydrophobicContact CB-CH2 4.37Å; R1410-W1448 HydrophobicContact CB-CZ2 3.81Å; R1410-W1448 HydrophobicContact CG-CZ2 4.07Å; R1410-W1448 CarbonylContact O-C 3.6Å; R1410-W1448 WeakPolarHBondContact O-CA 3.48Å; W1411-W1448 HydrophobicContact CE3-CE3 4.26Å; L1424-W1448 HydrophobicContact CD2-CH2 4.36Å; I1428-W1448 HydrophobicContact CD1-CH2 4.34Å; I1428-W1448 HydrophobicContact CD1-CZ3 3.68Å; I1428-W1448 HydrophobicContact CG1-CZ3 4.28Å; C1446-W1448 PolarHBondContact O-N 2.78Å; W1448-T1450 VanDerWaalsContact CD1-OG1 3.29Å; W1448-T1450 PolarHBondContact NE1-OG1 2.8Å; W1448-T1450 PolarHBondContact O-N 2.89Å; W1448-C1451 HydrophobicContact CB-CB 4.16Å; W1448-C1451 WeakPolarHBondContact O-CB 3.41Å; W1448-C1451 PolarHBondContact O-N 3.1Å; W1448-H1475 AromaticContact CD1-CE1 3.91Å; W1448-H1475 AromaticContact CD1-CG 3.57Å; W1448-H1475 AromaticContact CD1-ND1 3.45Å; W1448-H1475 HydrophobicContact CD2-CB 3.7Å; W1448-H1475 AromaticContact CD2-CG 3.83Å; W1448-H1475 AromaticContact CE2-CG 3.99Å; W1448-H1475 HydrophobicContact CE3-CB 4.16Å; W1448-H1475 HydrophobicContact CG-CB 4.03Å; W1448-H1475 AromaticContact CG-CD2 3.74Å; W1448-H1475 AromaticContact CG-CG 3.58Å; W1448-H1475 AromaticContact CG-ND1 3.89Å; W1448-H1475 HydrophobicContact CH2-CB 4.41Å; W1448-H1475 HydrophobicContact CZ2-CB 3.96Å; W1448-H1475 AromaticContact NE1-CG 3.82Å; W1448-H1475 AromaticContact NE1-ND1 3.82Å |
| 1449 | L | 83.9 | Confident | 69.3 | Low | 85 Ų | 85 | 78.3 Ų | 78.3 | 45% | 0.445 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -36 | -168.7 | -88.3 | 154.5 | 0 | 0 | 0 | 114.3 | R1410 L1447 R1455 | R1410-L1449 HydrophobicContact CB-CB 4.39Å; R1410-L1449 HydrophobicContact CB-CD1 4.3Å; R1410-L1449 WeakPolarHBondContact O-CB 3.48Å; R1410-L1449 PolarHBondContact O-N 3.47Å; L1447-L1449 PolarHBondContact O-N 2.53Å; L1449-R1455 PolarHBondContact O-NE 2.68Å; L1449-R1455 PolarHBondContact O-NH2 3.03Å |
| 1450 | T | 80.6 | Confident | 70.7 | Confident | 79 Ų | 79 | 74 Ų | 74 | 49% | 0.485 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 5 | 179.5 | 55.8 | 0 | 0 | 0 | 0 | 114.2 | W1448 A1452 | W1448-T1450 VanDerWaalsContact CD1-OG1 3.29Å; W1448-T1450 PolarHBondContact NE1-OG1 2.8Å; W1448-T1450 PolarHBondContact O-N 2.89Å; T1450-A1452 PolarHBondContact O-N 3.13Å; T1450-A1452 VanDerWaalsContact O-N 3.17Å |
| 1451 | C | 85.1 | Confident | 72.1 | Confident | 1 Ų | 1 | 72.9 Ų | 72.9 | 1% | 0.007 | 37% | 0.368 | C | S | . | . | trans | -68.6 | 112.3 | -175 | -177.1 | 0 | 0 | 0 | 0 | 112.5 | W1448 K1453 Y1454 R1455 H1470 | W1448-C1451 HydrophobicContact CB-CB 4.16Å; W1448-C1451 WeakPolarHBondContact O-CB 3.41Å; W1448-C1451 PolarHBondContact O-N 3.1Å; C1451-K1453 VanDerWaalsContact C-N 3.29Å; C1451-K1453 PolarHBondContact O-N 2.75Å; C1451-Y1454 PolarHBondContact O-N 2.82Å; C1451-Y1454 VanDerWaalsContact O-N 3.16Å; C1451-R1455 PolarHBondContact O-N 2.95Å; C1451-H1470 PolarHBondContact SG-NE2 2.93Å; C1451-H1470 VanDerWaalsContact SG-NE2 3.37Å | ||
| 1452 | A | 75 | Confident | 73.3 | Confident | 73 Ų | 73 | 70.1 Ų | 70.1 | 60% | 0.603 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -62 | -32.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | T1450 K1456 | T1450-A1452 PolarHBondContact O-N 3.13Å; T1450-A1452 VanDerWaalsContact O-N 3.17Å; A1452-K1456 PolarHBondContact O-N 3.08Å |
| 1453 | K | 71.7 | Confident | 74.7 | Confident | 100 Ų | 100 | 66.9 Ų | 66.9 | 44% | 0.435 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.5 | -44.6 | 173.7 | -87.9 | -175.7 | 162.4 | -156.2 | 0 | 111.5 | C1451 E1457 G1458 F1461 | C1451-K1453 VanDerWaalsContact C-N 3.29Å; C1451-K1453 PolarHBondContact O-N 2.75Å; K1453-E1457 PolarHBondContact O-N 2.91Å; K1453-G1458 PolarHBondContact O-N 2.99Å; K1453-F1461 HydrophobicContact CD-CE1 4.2Å; K1453-F1461 HydrophobicContact CD-CE2 4.04Å; K1453-F1461 HydrophobicContact CD-CZ 3.44Å; K1453-F1461 VanDerWaalsContact CD-CZ 3.44Å |
| 1454 | Y | 68.3 | Low | 75.7 | Confident | 71 Ų | 71 | 65.8 Ų | 65.8 | 28% | 0.278 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66 | -52.7 | 177.6 | -176 | -124.7 | 0 | 0 | 0 | 111.2 | R1412 V1445 C1446 L1447 C1451 K1456 | R1412-Y1454 PolarHBondContact NE-OH 3.24Å; R1412-Y1454 VanDerWaalsContact NE-OH 3.08Å; R1412-Y1454 PolarHBondContact NH2-OH 3.1Å; R1412-Y1454 VanDerWaalsContact NH2-OH 3.08Å; V1445-Y1454 HydrophobicContact CG1-CD2 3.61Å; V1445-Y1454 HydrophobicContact CG1-CE2 3.99Å; C1446-Y1454 WeakPolarHBondContact O-CB 3.4Å; L1447-Y1454 HydrophobicContact CD2-CD2 4.07Å; L1447-Y1454 HydrophobicContact CD2-CE1 4.48Å; L1447-Y1454 HydrophobicContact CD2-CE2 3.44Å; L1447-Y1454 VanDerWaalsContact CD2-CE2 3.44Å; C1451-Y1454 PolarHBondContact O-N 2.82Å; C1451-Y1454 VanDerWaalsContact O-N 3.16Å; Y1454-K1456 VanDerWaalsContact C-N 3.28Å; Y1454-K1456 PolarHBondContact O-N 3.27Å |
| 1455 | R | 59.2 | Low | 75.9 | Confident | 174 Ų | 174 | 67.3 Ų | 67.3 | 66% | 0.657 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -67.6 | -12.9 | -176.5 | -72.8 | -171.3 | 179 | -165.6 | -3.8 | 116.2 | L1449 C1451 | L1449-R1455 PolarHBondContact O-NE 2.68Å; L1449-R1455 PolarHBondContact O-NH2 3.03Å; C1451-R1455 PolarHBondContact O-N 2.95Å |
| 1456 | K | 52.9 | Low | 76 | Confident | 182 Ų | 182 | 72.8 Ų | 72.8 | 79% | 0.791 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -132.2 | -23.5 | -176.2 | -74.4 | -162.8 | 170.9 | -165.8 | 0 | 117.1 | A1452 Y1454 | A1452-K1456 PolarHBondContact O-N 3.08Å; Y1454-K1456 VanDerWaalsContact C-N 3.28Å; Y1454-K1456 PolarHBondContact O-N 3.27Å |
| 1457 | E | 56.6 | Low | 76 | Confident | 99 Ų | 99 | 72.7 Ų | 72.7 | 46% | 0.463 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.4 | -15.1 | -176.5 | -65.6 | -156.5 | 129.6 | 0 | 0 | 115.1 | K85 K1453 K1459 | K85-E1457 IonicContact NZ-OE1 3.9Å; K85-E1457 PolarHBondContact NZ-OE1 3.42Å; K1453-E1457 PolarHBondContact O-N 2.91Å; E1457-K1459 PolarHBondContact O-N 3.01Å |
| 1458 | G | 58.3 | Low | 76.2 | Confident | 38 Ų | 38 | 73.1 Ų | 73.1 | 39% | 0.392 | 37% | 0.374 | S | S | . | . | trans | 65.7 | -15.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | K1453 | K1453-G1458 PolarHBondContact O-N 2.99Š| ||
| 1459 | K | 65.4 | Low | 76.2 | Confident | 110 Ų | 110 | 81 Ų | 81 | 48% | 0.478 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 128.9 | -169.9 | -65.4 | -177.1 | -179.5 | 179.7 | 0 | 112.5 | E1457 | E1457-K1459 PolarHBondContact O-N 3.01Š|
| 1460 | P | 75.5 | Confident | 76.6 | Confident | 38 Ų | 38 | 78 Ų | 78 | 25% | 0.247 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 157.8 | 174.3 | 28.6 | -36.3 | 0 | 0 | 0 | 111.3 | V1445 | V1445-P1460 HydrophobicContact CG2-CB 4.03Š|
| 1461 | F | 81.8 | Confident | 77 | Confident | 15 Ų | 15 | 74.3 Ų | 74.3 | 7% | 0.066 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -79.5 | 138.8 | 170.8 | -75.4 | -97.5 | 0 | 0 | 0 | 109.7 | Y1444 C1446 K1453 S1463 R1466 L1467 H1470 | Y1444-F1461 VanDerWaalsContact CB-O 3.24Å; Y1444-F1461 WeakPolarHBondContact CB-O 3.42Å; Y1444-F1461 WeakPolarHBondContact CD2-O 3.26Å; Y1444-F1461 WeakPolarHBondContact O-CD2 3.39Å; Y1444-F1461 PolarHBondContact O-N 3.15Å; C1446-F1461 HydrophobicContact CB-CD2 4.5Å; C1446-F1461 HydrophobicContact CB-CE2 3.87Å; K1453-F1461 HydrophobicContact CD-CE1 4.2Å; K1453-F1461 HydrophobicContact CD-CE2 4.04Å; K1453-F1461 HydrophobicContact CD-CZ 3.44Å; K1453-F1461 VanDerWaalsContact CD-CZ 3.44Å; F1461-S1463 PolarHBondContact O-N 3.36Å; F1461-R1466 HydrophobicContact CB-CB 4.18Å; F1461-R1466 HydrophobicContact CD1-CB 4.14Å; F1461-R1466 WeakPolarHBondContact CD1-O 3.42Å; F1461-L1467 HydrophobicContact CB-CB 4.09Å; F1461-L1467 HydrophobicContact CD2-CB 4.46Å; F1461-L1467 HydrophobicContact CD2-CD1 3.96Å; F1461-L1467 HydrophobicContact CE2-CD1 4.3Å; F1461-L1467 HydrophobicContact CG-CB 4.28Å; F1461-H1470 HydrophobicContact CD1-CB 4.24Å; F1461-H1470 HydrophobicContact CE1-CB 3.41Å; F1461-H1470 VanDerWaalsContact CE1-CB 3.41Å; F1461-H1470 AromaticContact CE1-CG 3.65Å; F1461-H1470 HydrophobicContact CE2-CB 4.4Å; F1461-H1470 AromaticContact CE2-CD2 3.6Å; F1461-H1470 HydrophobicContact CZ-CB 3.52Å; F1461-H1470 AromaticContact CZ-CD2 3.19Å; F1461-H1470 WeakPolarHBondContact CZ-CD2 3.43Å; F1461-H1470 AromaticContact CZ-CG 3.2Å; F1461-H1470 AromaticContact CZ-ND1 3.8Å; F1461-H1470 AromaticContact CZ-NE2 3.76Å |
| 1462 | P | 75.3 | Confident | 77.2 | Confident | 98 Ų | 98 | 80.5 Ų | 80.5 | 64% | 0.636 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -66.6 | 5.3 | -176.6 | -27.1 | 36.9 | 0 | 0 | 0 | 117.1 | ||
| 1463 | S | 82.9 | Confident | 77.7 | Confident | 38 Ų | 38 | 81.9 Ų | 81.9 | 27% | 0.266 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -176.3 | 158.8 | 170.9 | 57.4 | 0 | 0 | 0 | 0 | 111.6 | F1461 R1466 L1467 | F1461-S1463 PolarHBondContact O-N 3.36Å; S1463-R1466 WeakPolarHBondContact O-CB 3.41Å; S1463-R1466 PolarHBondContact O-N 3.42Å; S1463-L1467 PolarHBondContact O-N 3.01Å; S1463-L1467 VanDerWaalsContact O-N 3.14Å |
| 1464 | L | 85.2 | Confident | 78.4 | Confident | 40 Ų | 40 | 82.9 Ų | 82.9 | 21% | 0.209 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -51.4 | -44.9 | 175.6 | -164.5 | 63.6 | 0 | 0 | 0 | 113.6 | L1436 Y1444 R1466 L1467 H1468 | L1436-L1464 HydrophobicContact CB-CD1 4.38Å; Y1444-L1464 HydrophobicContact CD1-CB 3.96Å; Y1444-L1464 HydrophobicContact CD1-CD1 3.89Å; Y1444-L1464 HydrophobicContact CE1-CB 3.6Å; Y1444-L1464 HydrophobicContact CE1-CD1 3.98Å; Y1444-L1464 HydrophobicContact CE1-CG 4.34Å; L1464-R1466 VanDerWaalsContact C-N 3.26Å; L1464-R1466 PolarHBondContact O-N 2.93Å; L1464-L1467 HydrophobicContact CD1-CD2 4.37Å; L1464-L1467 WeakPolarHBondContact O-CA 3.26Å; L1464-L1467 WeakPolarHBondContact O-CB 3.25Å; L1464-L1467 PolarHBondContact O-N 3.46Å; L1464-H1468 PolarHBondContact O-N 3.22Å |
| 1465 | P | 87.8 | Confident | 79.4 | Confident | 88 Ų | 88 | 79.9 Ų | 79.9 | 57% | 0.571 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -65.6 | -25.1 | 177.2 | -23.2 | 36.5 | 0 | 0 | 0 | 114 | R1469 | P1465-R1469 VanDerWaalsContact O-CB 3.24Å; P1465-R1469 WeakPolarHBondContact O-CB 3.25Å; P1465-R1469 PolarHBondContact O-N 3.07Å |
| 1466 | R | 86 | Confident | 80.9 | Confident | 144 Ų | 144 | 72 Ų | 72 | 54% | 0.543 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -75.7 | -33 | 172.9 | -71.9 | -177.2 | 174.7 | -165.7 | 0.9 | 111.7 | F1461 S1463 L1464 H1470 | F1461-R1466 HydrophobicContact CB-CB 4.18Å; F1461-R1466 HydrophobicContact CD1-CB 4.14Å; F1461-R1466 WeakPolarHBondContact CD1-O 3.42Å; S1463-R1466 WeakPolarHBondContact O-CB 3.41Å; S1463-R1466 PolarHBondContact O-N 3.42Å; L1464-R1466 VanDerWaalsContact C-N 3.26Å; L1464-R1466 PolarHBondContact O-N 2.93Å; R1466-H1470 WeakPolarHBondContact O-CB 2.92Å; R1466-H1470 PolarHBondContact O-N 3.32Å; R1466-H1470 VanDerWaalsContact O-N 3.13Å |
| 1467 | L | 89.8 | Confident | 82.4 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.4 | -50.9 | 170.4 | 175.4 | 57.3 | 0 | 0 | 0 | 110.9 | T1433 L1436 C1446 F1461 S1463 L1464 R1469 H1470 I1471 | T1433-L1467 HydrophobicContact CG2-CD2 4.02Å; L1436-L1467 HydrophobicContact CD1-CD2 3.82Å; C1446-L1467 HydrophobicContact CB-CD1 3.49Å; C1446-L1467 VanDerWaalsContact CB-CD1 3.49Å; F1461-L1467 HydrophobicContact CB-CB 4.09Å; F1461-L1467 HydrophobicContact CD2-CB 4.46Å; F1461-L1467 HydrophobicContact CD2-CD1 3.96Å; F1461-L1467 HydrophobicContact CE2-CD1 4.3Å; F1461-L1467 HydrophobicContact CG-CB 4.28Å; S1463-L1467 PolarHBondContact O-N 3.01Å; S1463-L1467 VanDerWaalsContact O-N 3.14Å; L1464-L1467 HydrophobicContact CD1-CD2 4.37Å; L1464-L1467 WeakPolarHBondContact O-CA 3.26Å; L1464-L1467 WeakPolarHBondContact O-CB 3.25Å; L1464-L1467 PolarHBondContact O-N 3.46Å; L1467-R1469 PolarHBondContact O-N 3.41Å; L1467-H1470 WeakPolarHBondContact O-CB 3.48Å; L1467-H1470 PolarHBondContact O-N 2.92Å; L1467-H1470 VanDerWaalsContact O-N 3.14Å; L1467-I1471 HydrophobicContact CD1-CD1 3.87Å; L1467-I1471 HydrophobicContact CD1-CG1 4.29Å; L1467-I1471 HydrophobicContact CG-CD1 3.88Å; L1467-I1471 WeakPolarHBondContact O-CG1 3.26Å; L1467-I1471 PolarHBondContact O-N 3.2Å |
| 1468 | H | 90.5 | Very high | 83.6 | Confident | 61 Ų | 61 | 66.2 Ų | 66.2 | 28% | 0.282 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58.9 | -45.9 | 176.3 | -69.9 | 168.1 | 0 | 0 | 0 | 112.7 | T1433 L1464 H1470 I1471 K1472 | T1433-H1468 PolarHBondContact OG1-NE2 3.32Å; L1464-H1468 PolarHBondContact O-N 3.22Å; H1468-H1470 VanDerWaalsContact C-N 3.3Å; H1468-H1470 PolarHBondContact O-N 3.15Å; H1468-I1471 PolarHBondContact O-N 2.87Å; H1468-K1472 WeakPolarHBondContact O-CB 3.35Å; H1468-K1472 PolarHBondContact O-N 2.77Å |
| 1469 | R | 89.4 | Confident | 85 | Confident | 166 Ų | 166 | 64.4 Ų | 64.4 | 63% | 0.626 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -57.5 | -42.9 | 174.1 | 176.7 | 172.7 | -77.1 | 150.5 | -2.4 | 111.7 | P1465 L1467 K1472 E1473 | P1465-R1469 VanDerWaalsContact O-CB 3.24Å; P1465-R1469 WeakPolarHBondContact O-CB 3.25Å; P1465-R1469 PolarHBondContact O-N 3.07Å; L1467-R1469 PolarHBondContact O-N 3.41Å; R1469-K1472 PolarHBondContact O-N 3.13Å; R1469-E1473 VanDerWaalsContact CD-OE1 3.28Å; R1469-E1473 WeakPolarHBondContact CD-OE1 3.36Å; R1469-E1473 HydrophobicContact CG-CG 4.25Å; R1469-E1473 WeakPolarHBondContact CG-OE1 3.48Å; R1469-E1473 WeakPolarHBondContact O-CB 3.31Å; R1469-E1473 VanDerWaalsContact O-CG 3.31Å; R1469-E1473 WeakPolarHBondContact O-CG 3.49Å; R1469-E1473 PolarHBondContact O-N 3.2Å |
| 1470 | H | 90.4 | Very high | 86 | Confident | 22 Ų | 22 | 60 Ų | 60 | 10% | 0.102 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 176.5 | 168.9 | 61.9 | 0 | 0 | 0 | 113 | C1446 C1451 F1461 R1466 L1467 H1468 E1473 K1474 H1475 | C1446-H1470 VanDerWaalsContact SG-CD2 3.54Å; C1451-H1470 PolarHBondContact SG-NE2 2.93Å; C1451-H1470 VanDerWaalsContact SG-NE2 3.37Å; F1461-H1470 HydrophobicContact CD1-CB 4.24Å; F1461-H1470 HydrophobicContact CE1-CB 3.41Å; F1461-H1470 VanDerWaalsContact CE1-CB 3.41Å; F1461-H1470 AromaticContact CE1-CG 3.65Å; F1461-H1470 HydrophobicContact CE2-CB 4.4Å; F1461-H1470 AromaticContact CE2-CD2 3.6Å; F1461-H1470 HydrophobicContact CZ-CB 3.52Å; F1461-H1470 AromaticContact CZ-CD2 3.19Å; F1461-H1470 WeakPolarHBondContact CZ-CD2 3.43Å; F1461-H1470 AromaticContact CZ-CG 3.2Å; F1461-H1470 AromaticContact CZ-ND1 3.8Å; F1461-H1470 AromaticContact CZ-NE2 3.76Å; R1466-H1470 WeakPolarHBondContact O-CB 2.92Å; R1466-H1470 PolarHBondContact O-N 3.32Å; R1466-H1470 VanDerWaalsContact O-N 3.13Å; L1467-H1470 WeakPolarHBondContact O-CB 3.48Å; L1467-H1470 PolarHBondContact O-N 2.92Å; L1467-H1470 VanDerWaalsContact O-N 3.14Å; H1468-H1470 VanDerWaalsContact C-N 3.3Å; H1468-H1470 PolarHBondContact O-N 3.15Å; H1470-E1473 PolarHBondContact O-N 3.05Å; H1470-K1474 WeakPolarHBondContact ND1-CG 3.29Å; H1470-K1474 WeakPolarHBondContact O-CB 3.3Å; H1470-K1474 PolarHBondContact O-N 2.87Å; H1470-H1475 AromaticContact CD2-NE2 3.69Å; H1470-H1475 AromaticContact CE1-NE2 3.62Å; H1470-H1475 AromaticContact NE2-CD2 3.97Å; H1470-H1475 AromaticContact NE2-CE1 3.8Å; H1470-H1475 AromaticContact NE2-NE2 3.04Å; H1470-H1475 PolarHBondContact NE2-NE2 2.9Å |
| 1471 | I | 89.6 | Confident | 86.5 | Confident | 3 Ų | 3 | 63.7 Ų | 63.7 | 2% | 0.015 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.6 | -46.2 | 176.4 | -66.7 | 159.3 | 0 | 0 | 0 | 110.2 | W1411 I1428 T1433 L1467 H1468 E1473 H1475 L1476 | W1411-I1471 HydrophobicContact CH2-CD1 4.3Å; W1411-I1471 HydrophobicContact CZ3-CD1 3.83Å; W1411-I1471 HydrophobicContact CZ3-CG1 4.36Å; I1428-I1471 HydrophobicContact CD1-CG2 4.01Å; I1428-I1471 HydrophobicContact CG2-CD1 4.01Å; I1428-I1471 HydrophobicContact CG2-CG2 4.24Å; T1433-I1471 HydrophobicContact CG2-CD1 4.37Å; L1467-I1471 HydrophobicContact CD1-CD1 3.87Å; L1467-I1471 HydrophobicContact CD1-CG1 4.29Å; L1467-I1471 HydrophobicContact CG-CD1 3.88Å; L1467-I1471 WeakPolarHBondContact O-CG1 3.26Å; L1467-I1471 PolarHBondContact O-N 3.2Å; H1468-I1471 PolarHBondContact O-N 2.87Å; I1471-E1473 PolarHBondContact O-N 2.8Å; I1471-H1475 HydrophobicContact CG2-CB 4.45Å; I1471-H1475 WeakPolarHBondContact O-CA 3.41Å; I1471-H1475 WeakPolarHBondContact O-CB 3.13Å; I1471-H1475 PolarHBondContact O-N 3.26Å; I1471-L1476 HydrophobicContact CG2-CG 4.28Å; I1471-L1476 PolarHBondContact O-N 3.33Å |
| 1472 | K | 89.8 | Confident | 86.7 | Confident | 130 Ų | 130 | 64 Ų | 64 | 57% | 0.565 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -68.1 | -31.3 | 179.2 | -168.2 | 157.7 | -175.5 | 160.2 | 0 | 113.9 | H1468 R1469 L1476 P1477 | H1468-K1472 WeakPolarHBondContact O-CB 3.35Å; H1468-K1472 PolarHBondContact O-N 2.77Å; R1469-K1472 PolarHBondContact O-N 3.13Å; K1472-L1476 HydrophobicContact CB-CD1 4.29Å; K1472-L1476 HydrophobicContact CG-CD1 4.26Å; K1472-P1477 WeakPolarHBondContact O-CD 3.38Å |
| 1473 | E | 85.5 | Confident | 87 | Confident | 103 Ų | 103 | 59.6 Ų | 59.6 | 48% | 0.481 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -85.3 | -27 | 178.1 | -75.8 | 177.3 | -162.6 | 0 | 0 | 115.1 | R1469 H1470 I1471 | R1469-E1473 VanDerWaalsContact CD-OE1 3.28Å; R1469-E1473 WeakPolarHBondContact CD-OE1 3.36Å; R1469-E1473 HydrophobicContact CG-CG 4.25Å; R1469-E1473 WeakPolarHBondContact CG-OE1 3.48Å; R1469-E1473 WeakPolarHBondContact O-CB 3.31Å; R1469-E1473 VanDerWaalsContact O-CG 3.31Å; R1469-E1473 WeakPolarHBondContact O-CG 3.49Å; R1469-E1473 PolarHBondContact O-N 3.2Å; H1470-E1473 PolarHBondContact O-N 3.05Å; I1471-E1473 PolarHBondContact O-N 2.8Å |
| 1474 | K | 85.4 | Confident | 87 | Confident | 120 Ų | 120 | 62 Ų | 62 | 52% | 0.522 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -119.1 | -29.8 | -169.4 | -57.7 | -56.9 | 177.6 | -168.1 | 0 | 115.1 | H1470 | H1470-K1474 WeakPolarHBondContact ND1-CG 3.29Å; H1470-K1474 WeakPolarHBondContact O-CB 3.3Å; H1470-K1474 PolarHBondContact O-N 2.87Å |
| 1475 | H | 91.1 | Very high | 86.9 | Confident | 9 Ų | 9 | 63 Ų | 63 | 4% | 0.042 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | -48.3 | -167 | -59.8 | -31.7 | 0 | 0 | 0 | 112.5 | C1446 W1448 H1470 I1471 A1478 S1479 | C1446-H1475 PolarHBondContact SG-CD2 3.22Å; C1446-H1475 PolarHBondContact SG-NE2 3.32Å; W1448-H1475 AromaticContact CD1-CE1 3.91Å; W1448-H1475 AromaticContact CD1-CG 3.57Å; W1448-H1475 AromaticContact CD1-ND1 3.45Å; W1448-H1475 HydrophobicContact CD2-CB 3.7Å; W1448-H1475 AromaticContact CD2-CG 3.83Å; W1448-H1475 AromaticContact CE2-CG 3.99Å; W1448-H1475 HydrophobicContact CE3-CB 4.16Å; W1448-H1475 HydrophobicContact CG-CB 4.03Å; W1448-H1475 AromaticContact CG-CD2 3.74Å; W1448-H1475 AromaticContact CG-CG 3.58Å; W1448-H1475 AromaticContact CG-ND1 3.89Å; W1448-H1475 HydrophobicContact CH2-CB 4.41Å; W1448-H1475 HydrophobicContact CZ2-CB 3.96Å; W1448-H1475 AromaticContact NE1-CG 3.82Å; W1448-H1475 AromaticContact NE1-ND1 3.82Å; H1470-H1475 AromaticContact CD2-NE2 3.69Å; H1470-H1475 AromaticContact CE1-NE2 3.62Å; H1470-H1475 AromaticContact NE2-CD2 3.97Å; H1470-H1475 AromaticContact NE2-CE1 3.8Å; H1470-H1475 AromaticContact NE2-NE2 3.04Å; H1470-H1475 PolarHBondContact NE2-NE2 2.9Å; I1471-H1475 HydrophobicContact CG2-CB 4.45Å; I1471-H1475 WeakPolarHBondContact O-CA 3.41Å; I1471-H1475 WeakPolarHBondContact O-CB 3.13Å; I1471-H1475 PolarHBondContact O-N 3.26Å; H1475-A1478 CarbonylContact O-C 3.42Å; H1475-A1478 PolarHBondContact O-N 3.32Å; H1475-S1479 PolarHBondContact O-N 2.81Å; H1475-S1479 VanDerWaalsContact O-N 3.11Å |
| 1476 | L | 90.2 | Very high | 86.6 | Confident | 7 Ų | 7 | 65.6 Ų | 65.6 | 4% | 0.037 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -56 | -43.1 | 176 | -71.6 | 179.4 | 0 | 0 | 0 | 113.5 | V1421 L1424 N1425 I1428 I1471 K1472 A1478 S1479 | V1421-L1476 HydrophobicContact CG1-CB 4.11Å; V1421-L1476 HydrophobicContact CG1-CD1 4.33Å; V1421-L1476 HydrophobicContact CG1-CD2 4.25Å; V1421-L1476 HydrophobicContact CG1-CG 4.47Å; L1424-L1476 HydrophobicContact CB-CD2 4.43Å; L1424-L1476 HydrophobicContact CD2-CD2 3.72Å; L1424-L1476 HydrophobicContact CG-CD2 3.75Å; N1425-L1476 HydrophobicContact CB-CD1 3.8Å; N1425-L1476 HydrophobicContact CB-CD2 4.43Å; N1425-L1476 WeakPolarHBondContact OD1-CD1 3.46Å; I1428-L1476 HydrophobicContact CD1-CD2 3.8Å; I1471-L1476 HydrophobicContact CG2-CG 4.28Å; I1471-L1476 PolarHBondContact O-N 3.33Å; K1472-L1476 HydrophobicContact CB-CD1 4.29Å; K1472-L1476 HydrophobicContact CG-CD1 4.26Å; L1476-A1478 PolarHBondContact O-N 3.46Å; L1476-A1478 VanDerWaalsContact O-N 3.13Å; L1476-S1479 WeakPolarHBondContact O-CB 3.44Å; L1476-S1479 PolarHBondContact O-N 2.66Å; L1476-S1479 PolarHBondContact O-OG 3.33Å |
| 1477 | P | 83.1 | Confident | 86.4 | Confident | 100 Ų | 100 | 63.4 Ų | 63.4 | 65% | 0.649 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -66.7 | -13.7 | 177.7 | -21.2 | 34.6 | 0 | 0 | 0 | 114.5 | K1472 | K1472-P1477 WeakPolarHBondContact O-CD 3.38Š|
| 1478 | A | 82 | Confident | 86.2 | Confident | 60 Ų | 60 | 68.4 Ų | 68.4 | 50% | 0.496 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -114.5 | 13.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | H1475 L1476 | H1475-A1478 CarbonylContact O-C 3.42Å; H1475-A1478 PolarHBondContact O-N 3.32Å; L1476-A1478 PolarHBondContact O-N 3.46Å; L1476-A1478 VanDerWaalsContact O-N 3.13Å |
| 1479 | S | 88.4 | Confident | 85.8 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | trans | -77.6 | -30.3 | 178.8 | 61.6 | 0 | 0 | 0 | 0 | 113.4 | H1407 C1408 H1475 L1476 | H1407-S1479 PolarHBondContact ND1-OG 2.92Å; C1408-S1479 PolarHBondContact N-O 2.8Å; C1408-S1479 VanDerWaalsContact N-O 3.11Å; H1475-S1479 PolarHBondContact O-N 2.81Å; H1475-S1479 VanDerWaalsContact O-N 3.11Å; L1476-S1479 WeakPolarHBondContact O-CB 3.44Å; L1476-S1479 PolarHBondContact O-N 2.66Å; L1476-S1479 PolarHBondContact O-OG 3.33Å | ||
| 1480 | G | 86.6 | Confident | 85.6 | Confident | 18 Ų | 18 | 66.6 Ų | 66.6 | 19% | 0.186 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 134.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | V1406 | V1406-G1480 CarbonylContact O-C 3.57Å; V1406-G1480 WeakPolarHBondContact O-CA 3.42Å |
| 1481 | K | 84.9 | Confident | 85.5 | Confident | 115 Ų | 115 | 68.3 Ų | 68.3 | 50% | 0.5 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 135.6 | 170 | -172.7 | -171.5 | 174.5 | -169.9 | 0 | 108.4 | V1406 V1483 | V1406-K1481 PolarHBondContact N-O 3.17Å; V1406-K1481 PolarHBondContact O-N 3.39Å; K1481-V1483 HydrophobicContact CD-CG1 3.71Å; K1481-V1483 HydrophobicContact CG-CG1 3.99Å |
| 1482 | C | 86.9 | Confident | 85.6 | Confident | 21 Ų | 21 | 69.9 Ų | 69.9 | 14% | 0.142 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 129.4 | 167.2 | -54.3 | 0 | 0 | 0 | 0 | 109.2 | Q1403 I1404 | Q1403-C1482 HydrophobicContact CB-CB 4.33Å; I1404-C1482 CarbonylContact O-C 3.57Å; I1404-C1482 VanDerWaalsContact O-CA 3.32Å; I1404-C1482 WeakPolarHBondContact O-CA 3.34Å |
| 1483 | V | 81.4 | Confident | 85.4 | Confident | 6 Ų | 6 | 66.2 Ų | 66.2 | 4% | 0.036 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 147.2 | 178.8 | -61.6 | 0 | 0 | 0 | 0 | 110.6 | Q1403 I1404 V1406 K1481 | Q1403-V1483 WeakPolarHBondContact CA-O 3.32Å; I1404-V1483 HydrophobicContact CD1-CG2 4.45Å; I1404-V1483 HydrophobicContact CG1-CG2 4.01Å; I1404-V1483 WeakPolarHBondContact CG1-O 3.32Å; I1404-V1483 PolarHBondContact N-O 3.5Å; I1404-V1483 PolarHBondContact O-N 2.94Å; V1406-V1483 HydrophobicContact CB-CG2 4.34Å; V1406-V1483 HydrophobicContact CG1-CG2 3.72Å; V1406-V1483 HydrophobicContact CG2-CG1 4.11Å; V1406-V1483 HydrophobicContact CG2-CG2 3.64Å; K1481-V1483 HydrophobicContact CD-CG1 3.71Å; K1481-V1483 HydrophobicContact CG-CG1 3.99Å |
| 1484 | Y | 83.2 | Confident | 85.2 | Confident | 89 Ų | 89 | 64.6 Ų | 64.6 | 35% | 0.349 | 33% | 0.333 | S | S | . | . | trans | -70.7 | 149.5 | 168.1 | -65.8 | -72.2 | 0 | 0 | 0 | 110.6 | G1402 Q1403 H1486 N1487 | G1402-Y1484 WeakPolarHBondContact O-CD1 3.47Å; Q1403-Y1484 HydrophobicContact CG-CD1 3.67Å; Q1403-Y1484 HydrophobicContact CG-CD2 4.36Å; Q1403-Y1484 HydrophobicContact CG-CE1 3.43Å; Q1403-Y1484 VanDerWaalsContact CG-CE1 3.43Å; Q1403-Y1484 HydrophobicContact CG-CE2 4.16Å; Q1403-Y1484 HydrophobicContact CG-CG 4.13Å; Y1484-H1486 WeakPolarHBondContact CB-CE1 3.33Å; Y1484-H1486 AromaticContact CG-CE1 3.9Å; Y1484-H1486 PolarHBondContact O-N 3.37Å; Y1484-N1487 PolarHBondContact O-N 2.9Å | ||
| 1485 | P | 82.7 | Confident | 84.8 | Confident | 62 Ų | 62 | 63.1 Ų | 63.1 | 40% | 0.403 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -53.7 | -27.1 | -178.1 | -31.7 | 35.7 | 0 | 0 | 0 | 116.3 | G1402 R1488 | G1402-P1485 WeakPolarHBondContact O-CD 3.37Å; P1485-R1488 VanDerWaalsContact O-CD 3.22Å; P1485-R1488 WeakPolarHBondContact O-CD 3.32Å; P1485-R1488 VanDerWaalsContact O-CG 3.3Å; P1485-R1488 WeakPolarHBondContact O-CG 3.36Å |
| 1486 | H | 82.8 | Confident | 83.3 | Confident | 142 Ų | 142 | 67.5 Ų | 67.5 | 66% | 0.657 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -77.8 | -17 | 175.9 | 57.5 | -104.9 | 0 | 0 | 0 | 113.7 | Y1484 | Y1484-H1486 WeakPolarHBondContact CB-CE1 3.33Å; Y1484-H1486 AromaticContact CG-CE1 3.9Å; Y1484-H1486 PolarHBondContact O-N 3.37Å |
| 1487 | N | 81.8 | Confident | 80.7 | Confident | 97 Ų | 97 | 75.5 Ų | 75.5 | 52% | 0.519 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -101.3 | 25.5 | 179.6 | -76.9 | -26.3 | 0 | 0 | 0 | 112.8 | Y1484 | Y1484-N1487 PolarHBondContact O-N 2.9Š|
| 1488 | R | 84.5 | Confident | 78.3 | Confident | 105 Ų | 105 | 76.2 Ų | 76.2 | 40% | 0.396 | 41% | 0.411 | S | S | . | . | trans | -73.2 | 152.2 | 171.7 | -71.3 | 170.4 | 177.3 | 169.2 | -3.6 | 110.7 | I1404 P1485 Y1492 | I1404-R1488 HydrophobicContact CD1-CG 4.29Å; I1404-R1488 VanDerWaalsContact CD1-NE 3.34Å; P1485-R1488 VanDerWaalsContact O-CD 3.22Å; P1485-R1488 WeakPolarHBondContact O-CD 3.32Å; P1485-R1488 VanDerWaalsContact O-CG 3.3Å; P1485-R1488 WeakPolarHBondContact O-CG 3.36Å; R1488-Y1492 HydrophobicContact CB-CG 4.23Å; R1488-Y1492 HydrophobicContact CG-CD1 4.25Å; R1488-Y1492 HydrophobicContact CG-CD2 4.5Å; R1488-Y1492 HydrophobicContact CG-CG 4.17Å | ||
| 1489 | S | 83.1 | Confident | 75.9 | Confident | 22 Ų | 22 | 78.2 Ų | 78.2 | 15% | 0.154 | 42% | 0.421 | C | S | . | . | trans | -64.3 | 150.2 | 167.6 | 178.5 | 0 | 0 | 0 | 0 | 110.8 | D1415 Q1417 H1491 Y1492 | D1415-S1489 VanDerWaalsContact O-CB 3.29Å; D1415-S1489 WeakPolarHBondContact O-CB 3.39Å; D1415-S1489 PolarHBondContact O-OG 3.26Å; Q1417-S1489 VanDerWaalsContact CD-N 3.35Å; S1489-H1491 PolarHBondContact O-N 3.04Å; S1489-H1491 VanDerWaalsContact O-N 3.17Å; S1489-H1491 PolarHBondContact OG-N 3.39Å; S1489-Y1492 VanDerWaalsContact O-CB 3.25Å; S1489-Y1492 WeakPolarHBondContact O-CB 3.5Å; S1489-Y1492 PolarHBondContact O-N 3.23Å | ||
| 1490 | K | 84.7 | Confident | 73.2 | Confident | 167 Ų | 167 | 86.5 Ų | 86.5 | 73% | 0.726 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -22.8 | 164.3 | 55.2 | 162.9 | -177.3 | 164 | 0 | 112.9 | D1415 | D1415-K1490 WeakPolarHBondContact OD2-CE 3.46Å; D1415-K1490 IonicContact OD2-NZ 2.74Å |
| 1491 | H | 88.3 | Confident | 70.6 | Confident | 59 Ų | 59 | 91.3 Ų | 91.3 | 27% | 0.273 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | 41.6 | 175.1 | -54.3 | 151 | 0 | 0 | 0 | 110.9 | D1415 Y1416 Q1417 S1489 | D1415-H1491 IonicContact OD1-CE1 3.45Å; D1415-H1491 IonicContact OD1-CG 3.15Å; D1415-H1491 IonicContact OD1-ND1 2.73Å; D1415-H1491 PolarHBondContact OD1-ND1 3.11Å; D1415-H1491 IonicContact OD2-CE1 3.83Å; D1415-H1491 IonicContact OD2-ND1 3.63Å; D1415-H1491 PolarHBondContact OD2-ND1 2.86Å; Y1416-H1491 WeakPolarHBondContact CA-O 3.33Å; Y1416-H1491 HydrophobicContact CD1-CB 3.9Å; Y1416-H1491 HydrophobicContact CD2-CB 3.73Å; Y1416-H1491 AromaticContact CD2-ND1 3.87Å; Y1416-H1491 HydrophobicContact CE1-CB 4Å; Y1416-H1491 HydrophobicContact CE2-CB 3.83Å; Y1416-H1491 AromaticContact CE2-CG 3.78Å; Y1416-H1491 AromaticContact CE2-ND1 3.59Å; Y1416-H1491 HydrophobicContact CG-CB 3.76Å; Q1417-H1491 PolarHBondContact N-O 3.06Å; S1489-H1491 PolarHBondContact O-N 3.04Å; S1489-H1491 VanDerWaalsContact O-N 3.17Å; S1489-H1491 PolarHBondContact OG-N 3.39Å |
| 1492 | Y | 91 | Very high | 68.1 | Low | 36 Ų | 36 | 89.9 Ų | 89.9 | 14% | 0.141 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 123.5 | 169.3 | 169.7 | -104.9 | 0 | 0 | 0 | 110.7 | I1404 V1406 Q1417 E1419 R1488 S1489 P1494 | I1404-Y1492 HydrophobicContact CD1-CE2 4.17Å; V1406-Y1492 HydrophobicContact CG1-CD2 4.11Å; V1406-Y1492 HydrophobicContact CG1-CE2 3.74Å; Q1417-Y1492 HydrophobicContact CB-CD2 3.97Å; Q1417-Y1492 CarbonylContact O-C 3.57Å; Q1417-Y1492 WeakPolarHBondContact O-CA 3.42Å; E1419-Y1492 PolarHBondContact OE2-OH 3.47Å; R1488-Y1492 HydrophobicContact CB-CG 4.23Å; R1488-Y1492 HydrophobicContact CG-CD1 4.25Å; R1488-Y1492 HydrophobicContact CG-CD2 4.5Å; R1488-Y1492 HydrophobicContact CG-CG 4.17Å; S1489-Y1492 VanDerWaalsContact O-CB 3.25Å; S1489-Y1492 WeakPolarHBondContact O-CB 3.5Å; S1489-Y1492 PolarHBondContact O-N 3.23Å; Y1492-P1494 HydrophobicContact CE1-CB 3.98Å |
| 1493 | V | 86 | Confident | 65.5 | Low | 52 Ų | 52 | 94.8 Ų | 94.8 | 32% | 0.315 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 108.2 | 179.5 | -178 | 0 | 0 | 0 | 0 | 108.5 | Y1416 Q1417 F1418 E1419 | Y1416-V1493 HydrophobicContact CD1-CG2 4.14Å; Y1416-V1493 HydrophobicContact CE1-CG2 4.4Å; Q1417-V1493 PolarHBondContact O-N 2.94Å; F1418-V1493 HydrophobicContact CD1-CB 3.75Å; F1418-V1493 HydrophobicContact CD1-CG1 4.26Å; F1418-V1493 HydrophobicContact CD1-CG2 4.18Å; F1418-V1493 HydrophobicContact CE1-CB 3.87Å; F1418-V1493 HydrophobicContact CE1-CG1 4.36Å; F1418-V1493 HydrophobicContact CE1-CG2 3.77Å; E1419-V1493 PolarHBondContact N-O 3.47Å |
| 1494 | P | 82.1 | Confident | 63.1 | Low | 69 Ų | 69 | 97.9 Ų | 97.9 | 45% | 0.448 | 57% | 0.569 | S | S | . | * | trans | -74 | 170.2 | 176.1 | 31.6 | -35.3 | 0 | 0 | 0 | 112 | E1419 Q1423 Y1492 S1496 | E1419-P1494 WeakPolarHBondContact OE2-CA 3.5Å; Q1423-P1494 PolarHBondContact NE2-O 3.19Å; Q1423-P1494 VanDerWaalsContact NE2-O 3.13Å; Y1492-P1494 HydrophobicContact CE1-CB 3.98Å; P1494-S1496 PolarHBondContact O-N 3.03Å | ||
| 1495 | L | 77.2 | Confident | 60.6 | Low | 90 Ų | 90 | 101.4 Ų | 101.4 | 47% | 0.471 | 59% | 0.593 | S | S | . | * | trans | -67.7 | 121.2 | 162.4 | -91.6 | 161.7 | 0 | 0 | 0 | 110.4 | E1419 T1420 L1497 | E1419-L1495 HydrophobicContact CB-CD1 4.44Å; E1419-L1495 HydrophobicContact CB-CG 4.27Å; E1419-L1495 HydrophobicContact CG-CD1 4.16Å; E1419-L1495 HydrophobicContact CG-CG 4.45Å; E1419-L1495 PolarHBondContact OE2-N 3.38Å; T1420-L1495 HydrophobicContact CG2-CD1 3.8Å; T1420-L1495 HydrophobicContact CG2-CD2 4.19Å; T1420-L1495 HydrophobicContact CG2-CG 4.06Å; L1495-L1497 PolarHBondContact O-N 3.07Å | ||
| 1496 | S | 58.3 | Low | 58.3 | Low | 101 Ų | 101 | 105.3 Ų | 105.3 | 71% | 0.706 | 62% | 0.616 | S | S | * | * | trans | -71.1 | 110.3 | 167.5 | 38.5 | 0 | 0 | 0 | 0 | 109.8 | P1494 S1498 | P1494-S1496 PolarHBondContact O-N 3.03Å; S1496-S1498 VanDerWaalsContact C-N 3.25Å; S1496-S1498 PolarHBondContact O-N 3Å | ||
| 1497 | L | 36.3 | Very low | 55.9 | Low | 175 Ų | 175 | 101.6 Ų | 101.6 | 92% | 0.916 | 62% | 0.616 | S | S | * | * | trans | -72.2 | 77.1 | 173.4 | -76.8 | 166.4 | 0 | 0 | 0 | 110.8 | L1495 S1499 | L1495-L1497 PolarHBondContact O-N 3.07Å; L1497-S1499 PolarHBondContact O-N 2.86Å | ||
| 1498 | S | 33.4 | Very low | 53.4 | Low | 114 Ų | 114 | 102.9 Ų | 102.9 | 80% | 0.797 | 63% | 0.632 | S | S | * | * | trans | -69.9 | 110.7 | 167.4 | 41.9 | 0 | 0 | 0 | 0 | 110 | S1496 Q1500 | S1496-S1498 VanDerWaalsContact C-N 3.25Å; S1496-S1498 PolarHBondContact O-N 3Å; S1498-Q1500 PolarHBondContact O-N 3.31Å | ||
| 1499 | S | 31.4 | Very low | 50.8 | Low | 102 Ų | 102 | 102.9 Ų | 102.9 | 71% | 0.713 | 65% | 0.646 | S | S | * | * | trans | -75.4 | 120.5 | -175.9 | 54.3 | 0 | 0 | 0 | 0 | 112.8 | L1497 | L1497-S1499 PolarHBondContact O-N 2.86Š| ||
| 1500 | Q | 30.8 | Very low | 48.2 | Very low | 175 Ų | 175 | 111.2 Ų | 111.2 | 82% | 0.818 | 68% | 0.68 | S | S | * | * | trans | 56.8 | 133.6 | 141.9 | -54.8 | -176.9 | 14.6 | 0 | 0 | 120.9 | S1498 | S1498-Q1500 PolarHBondContact O-N 3.31Š| ||
| 1501 | S | 31.8 | Very low | 45.8 | Very low | 119 Ų | 119 | 112.7 Ų | 112.7 | 83% | 0.832 | 69% | 0.687 | S | S | * | * | trans | 86.2 | 149.8 | 144 | 79.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1502 | A | 33.2 | Very low | 43.2 | Very low | 84 Ų | 84 | 116.9 Ų | 116.9 | 69% | 0.694 | 71% | 0.706 | S | S | * | * | trans | 66.5 | 89.4 | 154.7 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1503 | S | 31.4 | Very low | 40.3 | Very low | 124 Ų | 124 | 121.8 Ų | 121.8 | 87% | 0.867 | 73% | 0.73 | S | S | * | * | 22.5 | 133.3 | 123.1 | 58.1 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 1504 | G | 32 | Very low | 38 | Very low | 72 Ų | 72 | 126.2 Ų | 126.2 | 74% | 0.742 | 75% | 0.747 | S | S | * | * | trans | 117.2 | 109.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1505 | D | 30.6 | Very low | 35.9 | Very low | 162 Ų | 162 | 128.3 Ų | 128.3 | 87% | 0.866 | 76% | 0.761 | S | S | * | * | cis | 72.3 | 151.3 | 49.9 | -155 | 10.4 | 0 | 0 | 0 | 113.3 | ||||
| 1506 | V | 34.4 | Very low | 33.9 | Very low | 144 Ų | 144 | 130.2 Ų | 130.2 | 87% | 0.873 | 77% | 0.77 | S | S | * | * | trans | 77.3 | 143.6 | -158.6 | -170.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1507 | G | 31.9 | Very low | 32.8 | Very low | 65 Ų | 65 | 135.9 Ų | 135.9 | 67% | 0.67 | 78% | 0.776 | S | S | * | * | trans | -122.5 | -174 | -166.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1508 | S | 29.2 | Very low | 32.7 | Very low | 123 Ų | 123 | 131.9 Ų | 131.9 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | trans | -22.3 | 136.7 | 177.2 | -51.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1509 | P | 30.6 | Very low | 32.8 | Very low | 106 Ų | 106 | 130.9 Ų | 130.9 | 69% | 0.688 | 76% | 0.762 | S | S | * | * | -154.5 | 166.6 | 70.7 | 41.4 | -22.2 | 0 | 0 | 0 | 119.8 | |||||
| 1510 | K | 28.7 | Very low | 33.1 | Very low | 196 Ų | 196 | 131.2 Ų | 131.2 | 85% | 0.852 | 76% | 0.762 | S | S | * | * | trans | 19.5 | 122.9 | 146 | -57.4 | 177.9 | -179.6 | -179.5 | 0 | 121.6 | ||||
| 1511 | F | 34.2 | Very low | 33.3 | Very low | 199 Ų | 199 | 128.9 Ų | 128.9 | 87% | 0.873 | 77% | 0.765 | S | S | * | * | trans | -151.9 | 170.5 | 150.3 | -76.8 | -89.2 | 0 | 0 | 0 | 108.8 | ||||
| 1512 | H | 32.8 | Very low | 33.4 | Very low | 147 Ų | 147 | 127.2 Ų | 127.2 | 68% | 0.681 | 77% | 0.766 | S | S | * | * | -169 | 107.2 | -58.6 | -136 | -62 | 0 | 0 | 0 | 106.2 | |||||
| 1513 | E | 31 | Very low | 33.4 | Very low | 139 Ų | 139 | 132.1 Ų | 132.1 | 65% | 0.65 | 77% | 0.774 | S | S | * | * | trans | 38.8 | 149.6 | 140.8 | -70.4 | 179 | 145.7 | 0 | 0 | 126.7 | ||||
| 1514 | H | 36.3 | Very low | 33.4 | Very low | 144 Ų | 144 | 134 Ų | 134 | 67% | 0.667 | 77% | 0.773 | S | S | * | * | trans | 80 | 163.1 | 135.2 | -81.8 | -23.1 | 0 | 0 | 0 | 120.7 | ||||
| 1515 | P | 37.5 | Very low | 33.4 | Very low | 113 Ų | 113 | 135 Ų | 135 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | cis | -107 | -175.2 | -2.7 | 41.7 | -32.7 | 0 | 0 | 0 | 112.5 | ||||
| 1516 | L | 35.1 | Very low | 33.4 | Very low | 130 Ų | 130 | 133.2 Ų | 133.2 | 68% | 0.681 | 77% | 0.769 | S | S | * | * | cis | -124 | -101 | 14.7 | -90.8 | 171.7 | 0 | 0 | 0 | 115.2 | ||||
| 1517 | R | 35.6 | Very low | 33.3 | Very low | 220 Ų | 220 | 130.2 Ų | 130.2 | 83% | 0.83 | 77% | 0.767 | S | S | * | * | trans | -154.4 | 163.6 | -137 | -80.8 | -176.3 | -179.7 | -175.8 | -0.9 | 116.1 | ||||
| 1518 | S | 35.8 | Very low | 33.3 | Very low | 92 Ų | 92 | 134.6 Ų | 134.6 | 64% | 0.643 | 78% | 0.775 | S | S | * | * | cis | -179.3 | 127.6 | -35 | 54.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 1519 | A | 34.3 | Very low | 33.4 | Very low | 92 Ų | 92 | 135.4 Ų | 135.4 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | trans | 63.6 | 157 | 131.1 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1520 | P | 38.5 | Very low | 33.6 | Very low | 110 Ų | 110 | 135.6 Ų | 135.6 | 71% | 0.714 | 78% | 0.776 | S | S | * | * | cis | -146.8 | -179.6 | -37.4 | 41.7 | -24.7 | 0 | 0 | 0 | 116.2 | ||||
| 1521 | S | 35.1 | Very low | 33.5 | Very low | 126 Ų | 126 | 131 Ų | 131 | 88% | 0.881 | 77% | 0.768 | S | S | * | * | trans | 69.1 | 125.1 | 144.7 | -65.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1522 | G | 32.9 | Very low | 33.3 | Very low | 83 Ų | 83 | 129.4 Ų | 129.4 | 86% | 0.856 | 77% | 0.765 | S | S | * | * | trans | 169 | 101.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1523 | Q | 32.7 | Very low | 33 | Very low | 187 Ų | 187 | 129.2 Ų | 129.2 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | trans | -92.4 | 148.2 | 172.5 | -65.1 | 177.6 | -57.3 | 0 | 0 | 110.5 | ||||
| 1524 | I | 32.9 | Very low | 32.9 | Very low | 164 Ų | 164 | 126.1 Ų | 126.1 | 84% | 0.841 | 77% | 0.768 | S | S | * | * | trans | 153.4 | 139.8 | 134 | -78.7 | 159.9 | 0 | 0 | 0 | 111.6 | ||||
| 1525 | S | 32.2 | Very low | 32.6 | Very low | 94 Ų | 94 | 125.6 Ų | 125.6 | 66% | 0.657 | 77% | 0.77 | S | S | * | * | trans | -28.4 | 137.4 | -177.2 | 56.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1526 | S | 30.2 | Very low | 32.4 | Very low | 124 Ų | 124 | 129.8 Ų | 129.8 | 87% | 0.867 | 78% | 0.777 | S | S | * | * | 63.6 | 72.2 | 128.2 | -50.4 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 1527 | G | 31.8 | Very low | 32.2 | Very low | 80 Ų | 80 | 126.6 Ų | 126.6 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | -88.4 | 146.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1528 | N | 32.9 | Very low | 32.2 | Very low | 157 Ų | 157 | 124.3 Ų | 124.3 | 84% | 0.84 | 78% | 0.779 | S | S | * | * | trans | -116.9 | 149.6 | 173.8 | -108.3 | -17.3 | 0 | 0 | 0 | 109.2 | ||||
| 1529 | V | 29.7 | Very low | 32.1 | Very low | 140 Ų | 140 | 124 Ų | 124 | 85% | 0.848 | 78% | 0.777 | S | S | * | * | trans | 55.8 | 173.8 | 173.5 | -101.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1530 | P | 35.5 | Very low | 31.9 | Very low | 111 Ų | 111 | 127.3 Ų | 127.3 | 72% | 0.721 | 78% | 0.78 | S | S | * | * | cis | -132.2 | 171.1 | -28 | 32.8 | -14.1 | 0 | 0 | 0 | 115.1 | ||||
| 1531 | S | 27.1 | Very low | 31.7 | Very low | 99 Ų | 99 | 127.5 Ų | 127.5 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | trans | 32.3 | 129.8 | 137.3 | -148.9 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 1532 | M | 28.8 | Very low | 31.3 | Very low | 165 Ų | 165 | 126.8 Ų | 126.8 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | trans | 62.1 | 150.9 | 135.9 | -76.9 | -175.8 | 172.2 | 0 | 0 | 124.3 | ||||
| 1533 | N | 27.9 | Very low | 31.3 | Very low | 144 Ų | 144 | 128.4 Ų | 128.4 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | trans | 79.6 | 96.7 | 148.3 | -73 | -5.5 | 0 | 0 | 0 | 122.4 | ||||
| 1534 | A | 28.5 | Very low | 31.3 | Very low | 74 Ų | 74 | 127.7 Ų | 127.7 | 61% | 0.612 | 77% | 0.767 | S | S | * | * | 90.2 | 141.5 | 98.5 | 0 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 1535 | N | 29.5 | Very low | 31 | Very low | 132 Ų | 132 | 126.3 Ų | 126.3 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | trans | 77.9 | 159.3 | 144.5 | -69.3 | -8.6 | 0 | 0 | 0 | 121.6 | ||||
| 1536 | F | 33.5 | Very low | 30.9 | Very low | 201 Ų | 201 | 127.6 Ų | 127.6 | 88% | 0.882 | 77% | 0.771 | S | S | * | * | trans | 73.9 | 126.4 | 169.2 | -45.9 | -73.1 | 0 | 0 | 0 | 116.2 | ||||
| 1537 | G | 30.8 | Very low | 30.8 | Very low | 64 Ų | 64 | 128 Ų | 128 | 66% | 0.66 | 77% | 0.769 | S | S | * | * | cis | 169 | -170.4 | -4.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1538 | L | 35.7 | Very low | 30.5 | Very low | 172 Ų | 172 | 128.4 Ų | 128.4 | 90% | 0.901 | 76% | 0.764 | S | S | * | * | trans | 75.8 | 137.7 | 177 | -49.1 | 173.5 | 0 | 0 | 0 | 116.6 | ||||
| 1539 | S | 33.5 | Very low | 30.4 | Very low | 85 Ų | 85 | 127.4 Ų | 127.4 | 59% | 0.594 | 76% | 0.764 | S | S | * | * | cis | 179.4 | 125.8 | -46.1 | 41.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1540 | I | 30.9 | Very low | 30.1 | Very low | 162 Ų | 162 | 130.3 Ų | 130.3 | 83% | 0.831 | 76% | 0.761 | S | S | * | * | trans | 67.7 | 152.2 | 142.8 | -58.6 | 167.7 | 0 | 0 | 0 | 116.7 | ||||
| 1541 | P | 34 | Very low | 29.7 | Very low | 114 Ų | 114 | 133.1 Ų | 133.1 | 74% | 0.74 | 76% | 0.764 | S | S | * | * | cis | -119.7 | -176.6 | -15.9 | 37 | -21.3 | 0 | 0 | 0 | 114.1 | ||||
| 1542 | S | 27.2 | Very low | 29.7 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | trans | -71 | 145.4 | 166.1 | -23.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1543 | T | 32.9 | Very low | 29.6 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 72% | 0.718 | 76% | 0.756 | S | S | * | * | trans | -166.3 | 130.1 | 141.3 | 17.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1544 | Q | 31.7 | Very low | 29.6 | Very low | 172 Ų | 172 | 131 Ų | 131 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | 40.1 | 111 | 135.7 | -64.2 | 165.3 | -11 | 0 | 0 | 121.4 | ||||
| 1545 | V | 27 | Very low | 29.8 | Very low | 134 Ų | 134 | 134.2 Ų | 134.2 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | 25.2 | 121.9 | 109.5 | -178.4 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 1546 | P | 30.3 | Very low | 29.8 | Very low | 121 Ų | 121 | 130.8 Ų | 130.8 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | -149.8 | 167.9 | 79 | 41.6 | -23.6 | 0 | 0 | 0 | 119.8 | |||||
| 1547 | T | 27.9 | Very low | 29.7 | Very low | 133 Ų | 133 | 128.9 Ų | 128.9 | 82% | 0.816 | 76% | 0.762 | S | S | * | * | trans | -62.7 | 167.3 | 167.2 | -43.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1548 | A | 26.4 | Very low | 29.7 | Very low | 88 Ų | 88 | 136.3 Ų | 136.3 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | 76.1 | 160.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1549 | V | 29 | Very low | 29.4 | Very low | 137 Ų | 137 | 134.7 Ų | 134.7 | 83% | 0.83 | 76% | 0.757 | S | S | * | * | cis | -133.1 | 169.6 | 21.5 | 178.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1550 | Y | 24.9 | Very low | 29.2 | Very low | 200 Ų | 200 | 142.2 Ų | 142.2 | 78% | 0.784 | 77% | 0.774 | S | S | * | * | trans | -45 | 172.3 | 162.2 | -105 | -135.8 | 0 | 0 | 0 | 115.9 | ||||
| 1551 | E | 26 | Very low | 29.1 | Very low | 171 Ų | 171 | 141 Ų | 141 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | trans | 92.5 | 125.4 | 141.3 | -92.9 | 163.7 | -127.8 | 0 | 0 | 123.4 | ||||
| 1552 | A | 26.9 | Very low | 28.9 | Very low | 70 Ų | 70 | 141.7 Ų | 141.7 | 58% | 0.579 | 76% | 0.763 | S | S | * | * | 87.6 | 105.5 | 123.3 | 0 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 1553 | N | 27.7 | Very low | 29.1 | Very low | 140 Ų | 140 | 143.5 Ų | 143.5 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | 82.6 | 140.7 | 117.9 | -65.6 | -21.5 | 0 | 0 | 0 | 122.8 | |||||
| 1554 | N | 28.1 | Very low | 28.9 | Very low | 152 Ų | 152 | 140.4 Ų | 140.4 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | trans | 69.8 | 145 | 152.9 | -61.9 | -27.6 | 0 | 0 | 0 | 117 | ||||
| 1555 | V | 32.1 | Very low | 28.8 | Very low | 142 Ų | 142 | 139.1 Ų | 139.1 | 86% | 0.861 | 76% | 0.759 | S | S | * | * | cis | -139.3 | 152 | 6.4 | -178.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1556 | G | 30.2 | Very low | 28.9 | Very low | 61 Ų | 61 | 138 Ų | 138 | 63% | 0.629 | 76% | 0.757 | S | S | * | * | cis | 153.3 | 170.6 | -2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1557 | M | 30.3 | Very low | 28.7 | Very low | 160 Ų | 160 | 143.6 Ų | 143.6 | 79% | 0.788 | 76% | 0.763 | S | S | * | * | trans | 67.6 | 140.7 | -177.9 | -67.7 | -157 | -174.4 | 0 | 0 | 116.9 | ||||
| 1558 | R | 30.6 | Very low | 28.6 | Very low | 220 Ų | 220 | 145.2 Ų | 145.2 | 83% | 0.83 | 77% | 0.765 | S | S | * | * | cis | -141 | 155.7 | 10.4 | -122.8 | 160.9 | -151.7 | -166.5 | 4.7 | 112.3 | ||||
| 1559 | H | 28.9 | Very low | 28.6 | Very low | 138 Ų | 138 | 148.1 Ų | 148.1 | 64% | 0.639 | 77% | 0.768 | S | S | * | * | trans | -72.2 | 151.5 | -172.9 | -61.7 | -115.4 | 0 | 0 | 0 | 114.5 | Q1561 | H1559-Q1561 HydrophobicContact CB-CG 4.31Å; H1559-Q1561 PolarHBondContact ND1-OE1 3.5Å | ||
| 1560 | Y | 30.1 | Very low | 28.4 | Very low | 243 Ų | 243 | 149.2 Ų | 149.2 | 95% | 0.953 | 76% | 0.758 | S | S | * | * | -132.2 | 151 | 117.7 | -105.6 | -88.4 | 0 | 0 | 0 | 108.3 | |||||
| 1561 | Q | 28 | Very low | 28.6 | Very low | 138 Ų | 138 | 144.1 Ų | 144.1 | 65% | 0.645 | 75% | 0.745 | S | S | * | * | trans | -129.6 | 169.1 | -169.1 | -64.3 | 174.3 | -96.2 | 0 | 0 | 111.8 | H1559 | H1559-Q1561 HydrophobicContact CB-CG 4.31Å; H1559-Q1561 PolarHBondContact ND1-OE1 3.5Å | ||
| 1562 | N | 29.9 | Very low | 28.5 | Very low | 128 Ų | 128 | 140.5 Ų | 140.5 | 68% | 0.684 | 74% | 0.744 | S | S | * | * | trans | 67.1 | 144.2 | 169.5 | -64.7 | 47 | 0 | 0 | 0 | 114.9 | ||||
| 1563 | D | 31.4 | Very low | 28.5 | Very low | 148 Ų | 148 | 143.8 Ų | 143.8 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | cis | -157.5 | 165.6 | -16.8 | -89.3 | -37.9 | 0 | 0 | 0 | 106.5 | ||||
| 1564 | G | 30.1 | Very low | 28.6 | Very low | 52 Ų | 52 | 140.4 Ų | 140.4 | 54% | 0.536 | 75% | 0.747 | S | S | . | * | cis | 166.7 | 170.1 | -0.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1565 | T | 29.5 | Very low | 28.6 | Very low | 145 Ų | 145 | 141.3 Ų | 141.3 | 89% | 0.89 | 75% | 0.752 | S | S | * | * | trans | 62.6 | 157.1 | 179.3 | 53.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1566 | S | 27.9 | Very low | 28.3 | Very low | 110 Ų | 110 | 141.2 Ų | 141.2 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | trans | 61.9 | 124.6 | 179 | -58.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1567 | R | 26.3 | Very low | 28.2 | Very low | 239 Ų | 239 | 148.4 Ų | 148.4 | 90% | 0.902 | 76% | 0.755 | S | S | * | * | cis | 59.3 | 118.9 | 10.8 | -107.3 | -176.9 | -179.4 | -177.6 | 0.4 | 115.7 | ||||
| 1568 | L | 26.5 | Very low | 28 | Very low | 167 Ų | 167 | 146.2 Ų | 146.2 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | trans | 75.4 | 156.7 | 180 | -54.6 | 170.9 | 0 | 0 | 0 | 116.2 | ||||
| 1569 | L | 25.4 | Very low | 27.9 | Very low | 149 Ų | 149 | 139.9 Ų | 139.9 | 78% | 0.78 | 75% | 0.75 | S | S | * | * | trans | 69.1 | 98.6 | 175.8 | -56.8 | 175.1 | 0 | 0 | 0 | 118.3 | ||||
| 1570 | Y | 26.6 | Very low | 27.9 | Very low | 161 Ų | 161 | 142 Ų | 142 | 63% | 0.631 | 76% | 0.76 | S | S | * | * | -156.4 | 39.7 | 129.5 | -114.6 | -66.4 | 0 | 0 | 0 | 112 | M1573 | Y1570-M1573 HydrophobicContact CE1-CB 4.14Å; Y1570-M1573 HydrophobicContact CE1-CE 4.1Å; Y1570-M1573 HydrophobicContact CE1-CG 3.98Å; Y1570-M1573 HydrophobicContact CE1-SD 3.78Å; Y1570-M1573 HydrophobicContact CE2-CE 4.45Å; Y1570-M1573 WeakPolarHBondContact OH-CE 3.3Å; Y1570-M1573 PolarHBondContact OH-SD 3.11Å | |||
| 1571 | D | 27.2 | Very low | 27.8 | Very low | 93 Ų | 93 | 135.6 Ų | 135.6 | 50% | 0.497 | 75% | 0.751 | S | S | . | * | S | Bend | trans | -79.1 | 158.1 | 132.7 | -108.3 | -29.3 | 0 | 0 | 0 | 109 | R1663 | D1571-R1663 VanDerWaalsContact CG-NH1 3.33Å; D1571-R1663 IonicContact OD1-CZ 2.86Å; D1571-R1663 IonicContact OD1-NH1 3.71Å; D1571-R1663 PolarHBondContact OD1-NH1 3.22Å; D1571-R1663 IonicContact OD1-NH2 3.7Å; D1571-R1663 PolarHBondContact OD1-NH2 3.32Å; D1571-R1663 IonicContact OD2-CZ 2.66Å; D1571-R1663 VanDerWaalsContact OD2-CZ 3.29Å; D1571-R1663 IonicContact OD2-NH1 3.99Å; D1571-R1663 IonicContact OD2-NH2 3.29Å; D1571-R1663 PolarHBondContact OD2-NH2 2.99Å |
| 1572 | A | 25.7 | Very low | 27.8 | Very low | 94 Ų | 94 | 137.9 Ų | 137.9 | 78% | 0.777 | 76% | 0.761 | S | S | * | * | trans | 68.5 | 60.7 | 170 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1573 | M | 26.8 | Very low | 27.8 | Very low | 139 Ų | 139 | 134.6 Ų | 134.6 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | trans | -151 | 131 | 144.4 | -56.5 | -174.8 | -160.7 | 0 | 0 | 108.9 | Y1570 | Y1570-M1573 HydrophobicContact CE1-CB 4.14Å; Y1570-M1573 HydrophobicContact CE1-CE 4.1Å; Y1570-M1573 HydrophobicContact CE1-CG 3.98Å; Y1570-M1573 HydrophobicContact CE1-SD 3.78Å; Y1570-M1573 HydrophobicContact CE2-CE 4.45Å; Y1570-M1573 WeakPolarHBondContact OH-CE 3.3Å; Y1570-M1573 PolarHBondContact OH-SD 3.11Å | ||
| 1574 | G | 28.5 | Very low | 27.8 | Very low | 69 Ų | 69 | 133.7 Ų | 133.7 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | cis | -165.3 | 153.1 | -14.4 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1575 | N | 27.8 | Very low | 27.8 | Very low | 172 Ų | 172 | 134 Ų | 134 | 92% | 0.92 | 74% | 0.738 | S | S | * | * | cis | 65.3 | 30.3 | 27.1 | -82 | 22.7 | 0 | 0 | 0 | 116.7 | ||||
| 1576 | I | 26.4 | Very low | 27.8 | Very low | 140 Ų | 140 | 127.9 Ų | 127.9 | 72% | 0.718 | 70% | 0.7 | S | S | * | * | trans | -142.3 | 120.1 | 144.6 | -50.1 | 178.7 | 0 | 0 | 0 | 103.8 | ||||
| 1577 | Y | 27.7 | Very low | 27.8 | Very low | 212 Ų | 212 | 123.5 Ų | 123.5 | 83% | 0.831 | 67% | 0.668 | S | S | * | * | cis | -125.8 | 148.1 | 46.1 | -76 | -98.3 | 0 | 0 | 0 | 115.2 | ||||
| 1578 | S | 26.3 | Very low | 27.8 | Very low | 114 Ų | 114 | 116.2 Ų | 116.2 | 80% | 0.797 | 65% | 0.646 | S | S | * | * | trans | -97.1 | 133.1 | 172.7 | 54.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1579 | A | 28.9 | Very low | 27.9 | Very low | 86 Ų | 86 | 111 Ų | 111 | 71% | 0.711 | 62% | 0.615 | S | S | * | * | trans | -160 | 84.8 | 156.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1580 | Q | 28.4 | Very low | 28 | Very low | 184 Ų | 184 | 111.7 Ų | 111.7 | 86% | 0.86 | 61% | 0.612 | S | S | * | * | trans | 52.5 | 121.5 | 143.2 | -61.9 | 174.7 | -25.8 | 0 | 0 | 121.2 | ||||
| 1581 | S | 28.2 | Very low | 28.2 | Very low | 108 Ų | 108 | 107.7 Ų | 107.7 | 76% | 0.755 | 60% | 0.6 | S | S | * | * | trans | 66.2 | 140.1 | 147.4 | 70 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1582 | E | 29.3 | Very low | 28.3 | Very low | 186 Ų | 186 | 105.2 Ų | 105.2 | 87% | 0.869 | 59% | 0.593 | S | S | * | * | cis | -163.6 | 160.1 | -5.1 | -121.3 | 173.6 | -155.5 | 0 | 0 | 109.3 | ||||
| 1583 | G | 29.4 | Very low | 28.6 | Very low | 59 Ų | 59 | 106.8 Ų | 106.8 | 61% | 0.608 | 59% | 0.588 | S | S | * | * | trans | 104.6 | 80.6 | 151.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1584 | Q | 30.8 | Very low | 28.8 | Very low | 128 Ų | 128 | 106.6 Ų | 106.6 | 60% | 0.598 | 59% | 0.586 | S | S | * | * | trans | 76.2 | 90.1 | 142.5 | -59.8 | 177.6 | -0.2 | 0 | 0 | 119.2 | K1694 | Q1584-K1694 PolarHBondContact O-NZ 2.92Š| ||
| 1585 | N | 30.6 | Very low | 29 | Very low | 60 Ų | 60 | 110.2 Ų | 110.2 | 32% | 0.321 | 58% | 0.584 | S | S | . | * | 89.3 | 152.4 | 81 | -84.3 | 43.9 | 0 | 0 | 0 | 114.5 | R1685 K1694 P1695 | N1585-R1685 VanDerWaalsContact OD1-CZ 3.27Å; N1585-R1685 PolarHBondContact OD1-NE 2.83Å; N1585-R1685 PolarHBondContact OD1-NH2 2.87Å; N1585-K1694 VanDerWaalsContact O-CD 3.25Å; N1585-K1694 WeakPolarHBondContact O-CD 3.35Å; N1585-K1694 WeakPolarHBondContact O-CE 3.45Å; N1585-K1694 WeakPolarHBondContact O-CG 3.14Å; N1585-P1695 VanDerWaalsContact CB-CD 3.48Å; N1585-P1695 HydrophobicContact CB-CG 3.83Å; N1585-P1695 VanDerWaalsContact ND2-CG 3.28Å; N1585-P1695 WeakPolarHBondContact ND2-CG 3.26Å | |||
| 1586 | L | 28.2 | Very low | 29.2 | Very low | 15 Ų | 15 | 110.3 Ų | 110.3 | 8% | 0.079 | 58% | 0.579 | C | S | . | * | cis | 158.3 | 95.5 | -16.6 | -111.4 | 141.4 | 0 | 0 | 0 | 112.1 | R1685 W1688 N1689 R1693 K1694 P1695 | L1586-R1685 HydrophobicContact CD1-CG 4.21Å; L1586-W1688 HydrophobicContact CD2-CB 3.48Å; L1586-W1688 VanDerWaalsContact CD2-CB 3.48Å; L1586-N1689 HydrophobicContact CD2-CB 4.23Å; L1586-N1689 WeakPolarHBondContact CG-OD1 3.24Å; L1586-R1693 VanDerWaalsContact C-C 3.49Å; L1586-R1693 CarbonylContact C-O 3.54Å; L1586-K1694 CarbonylContact O-C 3.45Å; L1586-P1695 HydrophobicContact CB-CB 4.34Å; L1586-P1695 HydrophobicContact CB-CG 3.63Å; L1586-P1695 WeakPolarHBondContact O-CA 3.49Å; L1586-P1695 WeakPolarHBondContact O-CB 3.42Å; L1586-P1695 WeakPolarHBondContact O-CD 3.46Å; L1586-P1695 WeakPolarHBondContact O-CG 3.25Å | ||
| 1587 | V | 29 | Very low | 29.4 | Very low | 18 Ų | 18 | 110.9 Ų | 110.9 | 11% | 0.109 | 58% | 0.582 | C | S | . | * | trans | 92.3 | 142.7 | 137 | 152.9 | 0 | 0 | 0 | 0 | 131.6 | W1688 N1689 F1691 G1692 R1693 | V1587-W1688 WeakPolarHBondContact CB-O 3.2Å; V1587-W1688 HydrophobicContact CG1-CB 4.41Å; V1587-W1688 HydrophobicContact CG1-CE3 3.68Å; V1587-W1688 HydrophobicContact CG1-CZ3 4.42Å; V1587-W1688 VanDerWaalsContact CG1-O 3.24Å; V1587-W1688 WeakPolarHBondContact CG1-O 3.46Å; V1587-W1688 WeakPolarHBondContact CG2-O 3.29Å; V1587-N1689 WeakPolarHBondContact CG2-O 3.25Å; V1587-F1691 HydrophobicContact CB-CB 3.99Å; V1587-F1691 HydrophobicContact CB-CD2 4.31Å; V1587-F1691 HydrophobicContact CG1-CB 3.74Å; V1587-F1691 HydrophobicContact CG1-CD2 3.62Å; V1587-F1691 HydrophobicContact CG1-CE2 4.4Å; V1587-F1691 HydrophobicContact CG1-CG 3.92Å; V1587-F1691 HydrophobicContact CG2-CB 3.77Å; V1587-F1691 HydrophobicContact CG2-CD2 3.95Å; V1587-F1691 HydrophobicContact CG2-CG 4.34Å; V1587-F1691 VanDerWaalsContact CG2-N 3.27Å; V1587-G1692 PolarHBondContact N-O 2.82Å; V1587-R1693 CarbonylContact C-O 3.26Å; V1587-R1693 VanDerWaalsContact C-O 3.23Å; V1587-R1693 VanDerWaalsContact CA-O 3.27Å; V1587-R1693 WeakPolarHBondContact CA-O 3.28Å; V1587-R1693 PolarHBondContact N-O 3.03Å | ||
| 1588 | M | 26.7 | Very low | 29.9 | Very low | 87 Ų | 87 | 105.5 Ų | 105.5 | 43% | 0.429 | 57% | 0.573 | S | S | . | * | trans | -120.6 | -138.9 | 172.5 | -47.1 | -171.1 | -63 | 0 | 0 | 113.2 | F1691 R1693 | M1588-F1691 VanDerWaalsContact C-CB 3.41Å; M1588-F1691 HydrophobicContact CB-CB 4.32Å; M1588-F1691 WeakPolarHBondContact CB-O 3.37Å; M1588-F1691 WeakPolarHBondContact CE-O 3.35Å; M1588-F1691 VanDerWaalsContact CG-O 3.28Å; M1588-F1691 WeakPolarHBondContact CG-O 3.4Å; M1588-F1691 PolarHBondContact N-O 2.87Å; M1588-F1691 VanDerWaalsContact N-O 3.12Å; M1588-F1691 VanDerWaalsContact O-CB 3.29Å; M1588-F1691 WeakPolarHBondContact O-CB 3.37Å; M1588-F1691 VanDerWaalsContact O-CD1 3.28Å; M1588-F1691 WeakPolarHBondContact O-CD1 3.37Å; M1588-F1691 WeakPolarHBondContact O-CG 3.22Å; M1588-R1693 HydrophobicContact CG-CB 3.7Å; M1588-R1693 HydrophobicContact CG-CG 3.51Å; M1588-R1693 HydrophobicContact SD-CB 4.46Å; M1588-R1693 HydrophobicContact SD-CG 3.62Å | ||
| 1589 | Y | 28.3 | Very low | 30.3 | Very low | 58 Ų | 58 | 107.4 Ų | 107.4 | 23% | 0.227 | 58% | 0.575 | C | S | . | * | cis | -88.7 | -139.8 | -4.5 | -53.6 | 139.6 | 0 | 0 | 0 | 111.7 | L1591 M1660 N1690 F1691 R1729 | Y1589-L1591 HydrophobicContact CD1-CD1 4.35Å; Y1589-M1660 HydrophobicContact CE2-SD 4.47Å; Y1589-M1660 WeakPolarHBondContact OH-CB 3.49Å; Y1589-M1660 PolarHBondContact OH-SD 3.02Å; Y1589-M1660 VanDerWaalsContact OH-SD 3.34Å; Y1589-N1690 PolarHBondContact OH-O 3.03Å; Y1589-F1691 AromaticContact CD1-CD1 3.4Å; Y1589-F1691 HydrophobicContact CD1-CD1 3.4Å; Y1589-F1691 AromaticContact CD1-CE1 3.75Å; Y1589-F1691 HydrophobicContact CD1-CE1 3.75Å; Y1589-F1691 HydrophobicContact CD2-CB 3.75Å; Y1589-F1691 AromaticContact CD2-CD1 3.62Å; Y1589-F1691 HydrophobicContact CD2-CD1 3.62Å; Y1589-F1691 HydrophobicContact CD2-CG 4.12Å; Y1589-F1691 AromaticContact CE1-CD1 3.33Å; Y1589-F1691 HydrophobicContact CE1-CD1 3.33Å; Y1589-F1691 AromaticContact CE1-CE1 3.62Å; Y1589-F1691 HydrophobicContact CE1-CE1 3.62Å; Y1589-F1691 HydrophobicContact CE1-CG 4.28Å; Y1589-F1691 HydrophobicContact CE2-CB 3.59Å; Y1589-F1691 AromaticContact CE2-CD1 3.56Å; Y1589-F1691 HydrophobicContact CE2-CD1 3.56Å; Y1589-F1691 AromaticContact CE2-CG 3.84Å; Y1589-F1691 HydrophobicContact CE2-CG 3.84Å; Y1589-F1691 HydrophobicContact CG-CB 4.43Å; Y1589-F1691 AromaticContact CG-CD1 3.49Å; Y1589-F1691 HydrophobicContact CG-CD1 3.49Å; Y1589-F1691 VanDerWaalsContact CG-CD1 3.49Å; Y1589-F1691 HydrophobicContact CG-CE1 4.26Å; Y1589-F1691 HydrophobicContact CG-CG 4.42Å; Y1589-F1691 AromaticContact CZ-CD1 3.36Å; Y1589-F1691 AromaticContact CZ-CG 3.87Å; Y1589-R1729 WeakPolarHBondContact O-CD 3.43Å | ||
| 1590 | K | 27.8 | Very low | 30.5 | Very low | 163 Ų | 163 | 107.7 Ų | 107.7 | 71% | 0.709 | 58% | 0.577 | S | S | * | * | cis | 73.6 | 106.7 | -10.3 | -161.5 | -95.3 | 169.3 | -170.2 | 0 | 124.6 | ||||
| 1591 | L | 29.2 | Very low | 30.8 | Very low | 76 Ų | 76 | 103.6 Ų | 103.6 | 40% | 0.398 | 58% | 0.575 | S | S | . | * | trans | -164.9 | 156.8 | 155.4 | -81.3 | 129.6 | 0 | 0 | 0 | 105.9 | Y1589 V1726 R1729 | Y1589-L1591 HydrophobicContact CD1-CD1 4.35Å; L1591-V1726 HydrophobicContact CB-CB 4.48Å; L1591-V1726 HydrophobicContact CB-CG1 4.11Å; L1591-V1726 HydrophobicContact CB-CG2 3.54Å; L1591-V1726 HydrophobicContact CD1-CG2 4.15Å; L1591-V1726 HydrophobicContact CG-CG2 4.33Å; L1591-V1726 WeakPolarHBondContact O-CG1 3.48Å; L1591-R1729 PolarHBondContact O-NH2 2.62Å | ||
| 1592 | A | 30.2 | Very low | 31.1 | Very low | 42 Ų | 42 | 105.2 Ų | 105.2 | 35% | 0.347 | 58% | 0.58 | S | S | . | * | cis | 95.6 | 88.7 | 27.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1593 | D | 31.7 | Very low | 31.2 | Very low | 126 Ų | 126 | 104.5 Ų | 104.5 | 67% | 0.674 | 58% | 0.578 | S | S | * | * | 60.4 | 130.1 | 129.7 | -35.1 | -46.2 | 0 | 0 | 0 | 122.6 | |||||
| 1594 | H | 32.4 | Very low | 31.7 | Very low | 136 Ų | 136 | 106.5 Ų | 106.5 | 63% | 0.63 | 58% | 0.58 | S | S | * | * | 161.9 | 145.9 | 89.4 | -106.9 | -63.9 | 0 | 0 | 0 | 117.4 | |||||
| 1595 | H | 32.1 | Very low | 31.9 | Very low | 144 Ų | 144 | 105.9 Ų | 105.9 | 67% | 0.667 | 59% | 0.591 | S | S | * | * | trans | 62 | 121.3 | 145 | -69.5 | -48 | 0 | 0 | 0 | 125.8 | ||||
| 1596 | Q | 32 | Very low | 32.1 | Very low | 175 Ų | 175 | 107.3 Ų | 107.3 | 82% | 0.818 | 61% | 0.611 | S | S | * | * | -179.1 | 119.1 | 109.3 | -92.3 | 160.8 | 74.1 | 0 | 0 | 109.1 | |||||
| 1597 | L | 30.7 | Very low | 32.5 | Very low | 152 Ų | 152 | 110.9 Ų | 110.9 | 80% | 0.796 | 64% | 0.637 | S | S | * | * | 70.6 | 150.9 | 80.8 | -72.3 | 176.1 | 0 | 0 | 0 | 114.8 | |||||
| 1598 | P | 36.8 | Very low | 32.7 | Very low | 98 Ų | 98 | 119 Ų | 119 | 64% | 0.636 | 67% | 0.674 | S | S | * | * | cis | -142.4 | -179.7 | 17.6 | 44.8 | -26.9 | 0 | 0 | 0 | 118.9 | ||||
| 1599 | N | 34.7 | Very low | 33.1 | Very low | 155 Ų | 155 | 117.9 Ų | 117.9 | 83% | 0.829 | 68% | 0.684 | S | S | * | * | trans | 72.1 | 143.1 | 151.2 | -67.2 | -17.8 | 0 | 0 | 0 | 120.6 | ||||
| 1600 | A | 35.1 | Very low | 33.4 | Very low | 91 Ų | 91 | 124.1 Ų | 124.1 | 75% | 0.752 | 72% | 0.715 | S | S | * | * | cis | -159.4 | 151.7 | 6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1601 | A | 34.2 | Very low | 33.8 | Very low | 99 Ų | 99 | 120.2 Ų | 120.2 | 82% | 0.818 | 71% | 0.708 | S | S | * | * | trans | 54.1 | 154.3 | 150.1 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1602 | V | 33.5 | Very low | 34.1 | Very low | 142 Ų | 142 | 125 Ų | 125 | 86% | 0.861 | 73% | 0.728 | S | S | * | * | cis | -140.8 | 173.3 | 15.7 | -179.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1603 | M | 32.4 | Very low | 34.3 | Very low | 170 Ų | 170 | 131.3 Ų | 131.3 | 84% | 0.837 | 75% | 0.75 | S | S | * | * | trans | -130.4 | -175.4 | -172.3 | -89.4 | -81.3 | -169.3 | 0 | 0 | 111.2 | ||||
| 1604 | P | 38.5 | Very low | 34.6 | Very low | 101 Ų | 101 | 129.4 Ų | 129.4 | 66% | 0.656 | 75% | 0.753 | S | S | * | * | cis | -137 | -168.1 | -25.8 | 35.5 | -14.7 | 0 | 0 | 0 | 114.9 | ||||
| 1605 | S | 35.7 | Very low | 34.9 | Very low | 116 Ų | 116 | 127.1 Ų | 127.1 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | trans | 69.7 | 155.3 | 151 | 66.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1606 | A | 35.1 | Very low | 35.2 | Very low | 90 Ų | 90 | 130.4 Ų | 130.4 | 74% | 0.744 | 76% | 0.758 | S | S | * | * | cis | -175.9 | 169.2 | -10.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1607 | S | 36.2 | Very low | 35.5 | Very low | 90 Ų | 90 | 128.5 Ų | 128.5 | 63% | 0.629 | 75% | 0.749 | S | S | * | * | cis | -173 | 155 | -17.7 | 50.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1608 | E | 33.5 | Very low | 35.8 | Very low | 189 Ų | 189 | 128 Ų | 128 | 88% | 0.883 | 74% | 0.743 | S | S | * | * | trans | 61.1 | 135 | 158 | -67.3 | 179.7 | 171.6 | 0 | 0 | 123 | ||||
| 1609 | G | 34.2 | Very low | 35.7 | Very low | 62 Ų | 62 | 130.9 Ų | 130.9 | 64% | 0.639 | 75% | 0.745 | S | S | * | * | trans | 131 | 102.5 | 134.4 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1610 | H | 35.9 | Very low | 35.8 | Very low | 190 Ų | 190 | 130.7 Ų | 130.7 | 88% | 0.88 | 74% | 0.74 | S | S | * | * | trans | 59.4 | 163.2 | 143.6 | -63.9 | -84.3 | 0 | 0 | 0 | 121.1 | ||||
| 1611 | S | 34.8 | Very low | 35.9 | Very low | 80 Ų | 80 | 135.3 Ų | 135.3 | 56% | 0.559 | 75% | 0.746 | S | S | * | * | cis | -173.9 | 145.4 | -40.2 | 54 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1612 | E | 36.4 | Very low | 36.1 | Very low | 178 Ų | 178 | 136 Ų | 136 | 83% | 0.832 | 74% | 0.742 | S | S | * | * | trans | 61.9 | 170 | 159.4 | -67.9 | 165.3 | -166.7 | 0 | 0 | 118.1 | ||||
| 1613 | E | 35 | Very low | 36.2 | Very low | 173 Ų | 173 | 134.4 Ų | 134.4 | 81% | 0.808 | 73% | 0.734 | S | S | * | * | cis | -165.9 | 159.7 | -45.6 | -169.7 | 168.8 | -136.6 | 0 | 0 | 108.9 | ||||
| 1614 | A | 38.5 | Very low | 36.3 | Very low | 87 Ų | 87 | 132.3 Ų | 132.3 | 72% | 0.719 | 73% | 0.731 | S | S | * | * | trans | 68.5 | 163.3 | 162.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1615 | S | 37.8 | Very low | 36.1 | Very low | 88 Ų | 88 | 133.8 Ų | 133.8 | 62% | 0.615 | 74% | 0.739 | S | S | * | * | cis | -168.1 | 152.3 | -13.9 | -127.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1616 | R | 37.5 | Very low | 36 | Very low | 212 Ų | 212 | 135.1 Ų | 135.1 | 80% | 0.8 | 74% | 0.737 | S | S | * | * | trans | 69 | 158.1 | 147.3 | -66.5 | 170.4 | -172.2 | -173.9 | -0.7 | 117.3 | ||||
| 1617 | Q | 38.6 | Very low | 35.9 | Very low | 135 Ų | 135 | 139.2 Ų | 139.2 | 63% | 0.631 | 75% | 0.745 | S | S | * | * | cis | -164.3 | 149.1 | -1.7 | -122 | 165.6 | -25 | 0 | 0 | 112.8 | ||||
| 1618 | H | 37 | Very low | 35.4 | Very low | 142 Ų | 142 | 141.1 Ų | 141.1 | 66% | 0.657 | 76% | 0.757 | S | S | * | * | trans | 62.1 | 167.2 | 154.5 | -60 | -52.2 | 0 | 0 | 0 | 119.3 | ||||
| 1619 | F | 35.3 | Very low | 35.3 | Very low | 158 Ų | 158 | 138 Ų | 138 | 69% | 0.693 | 76% | 0.756 | S | S | * | * | cis | -152.6 | 152.9 | 7.8 | -126 | -48.1 | 0 | 0 | 0 | 113.1 | ||||
| 1620 | Q | 37.2 | Very low | 35.1 | Very low | 151 Ų | 151 | 141.4 Ų | 141.4 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | 59.6 | 99 | 146.1 | -90.6 | 156.5 | -5.2 | 0 | 0 | 124.6 | ||||
| 1621 | Q | 35.6 | Very low | 34.9 | Very low | 188 Ų | 188 | 140.1 Ų | 140.1 | 88% | 0.879 | 76% | 0.763 | S | S | * | * | 52.2 | 151.4 | 121.1 | -75.2 | -176.7 | -21.3 | 0 | 0 | 125.4 | |||||
| 1622 | P | 39.1 | Very low | 34.6 | Very low | 115 Ų | 115 | 142.5 Ų | 142.5 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | trans | -105.8 | 178.8 | -171.3 | 44.9 | -38.2 | 0 | 0 | 0 | 114.6 | ||||
| 1623 | P | 36.7 | Very low | 34.3 | Very low | 107 Ų | 107 | 143.8 Ų | 143.8 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | -158.6 | 153.4 | 94.7 | 41.8 | -22.2 | 0 | 0 | 0 | 119.9 | |||||
| 1624 | T | 33.3 | Very low | 34.1 | Very low | 126 Ų | 126 | 142 Ų | 142 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | trans | 64.2 | 153.3 | 140.9 | 52.9 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 1625 | T | 35.5 | Very low | 33.6 | Very low | 132 Ų | 132 | 145.5 Ų | 145.5 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | trans | 97.3 | 139.8 | 150.7 | 8.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1626 | D | 31.8 | Very low | 33.2 | Very low | 145 Ų | 145 | 150 Ų | 150 | 78% | 0.775 | 77% | 0.773 | S | S | * | * | trans | -70.3 | 157.6 | -170.2 | -50.4 | -90.4 | 0 | 0 | 0 | 116 | ||||
| 1627 | L | 33.8 | Very low | 32.9 | Very low | 175 Ų | 175 | 145.3 Ų | 145.3 | 92% | 0.916 | 77% | 0.768 | S | S | * | * | -177.8 | 143.9 | 112.8 | -97.9 | 162 | 0 | 0 | 0 | 112.9 | |||||
| 1628 | C | 25.6 | Very low | 32.4 | Very low | 131 Ų | 131 | 145.4 Ų | 145.4 | 89% | 0.885 | 78% | 0.778 | S | S | * | * | trans | -78.6 | 137.3 | 174.8 | -59.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1629 | S | 32.5 | Very low | 32.2 | Very low | 122 Ų | 122 | 143.8 Ų | 143.8 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | -153.3 | 149.4 | 150.8 | 59.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 1630 | V | 29.5 | Very low | 31.8 | Very low | 134 Ų | 134 | 145.7 Ų | 145.7 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | trans | -96 | 138.5 | 179.6 | 173.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1631 | L | 31.4 | Very low | 31.7 | Very low | 164 Ų | 164 | 143.5 Ų | 143.5 | 86% | 0.859 | 81% | 0.808 | S | S | * | * | trans | -153.4 | 143.7 | 154.6 | -108.3 | 173.5 | 0 | 0 | 0 | 111.8 | ||||
| 1632 | N | 27.8 | Very low | 31.4 | Very low | 130 Ų | 130 | 137.9 Ų | 137.9 | 70% | 0.695 | 80% | 0.8 | S | S | * | * | trans | -82.5 | 158.2 | 168.7 | -57 | -47.4 | 0 | 0 | 0 | 109.7 | ||||
| 1633 | Y | 30.3 | Very low | 31 | Very low | 204 Ų | 204 | 138.9 Ų | 138.9 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | -174.5 | 169.9 | 105.7 | -113.4 | -96 | 0 | 0 | 0 | 113.3 | |||||
| 1634 | Q | 30.7 | Very low | 30.9 | Very low | 135 Ų | 135 | 140.5 Ų | 140.5 | 63% | 0.631 | 82% | 0.816 | S | S | * | * | trans | -68 | 156.4 | -162.6 | -61.4 | 167.3 | -89.5 | 0 | 0 | 118.2 | ||||
| 1635 | Q | 27.8 | Very low | 30.7 | Very low | 161 Ų | 161 | 137.8 Ų | 137.8 | 75% | 0.752 | 81% | 0.814 | S | S | * | * | trans | 38.9 | 127.3 | 131.6 | -58.3 | 169.9 | -78.3 | 0 | 0 | 121.5 | ||||
| 1636 | E | 30.8 | Very low | 30.5 | Very low | 183 Ų | 183 | 139 Ų | 139 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | 173.1 | 101.1 | 121.7 | -93.6 | 175.6 | -172.8 | 0 | 0 | 108.4 | |||||
| 1637 | T | 30.7 | Very low | 30.5 | Very low | 114 Ų | 114 | 138.7 Ų | 138.7 | 70% | 0.699 | 81% | 0.808 | S | S | * | * | 64.5 | 109.4 | 91.4 | 56.6 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 1638 | T | 27.9 | Very low | 30.2 | Very low | 137 Ų | 137 | 136.7 Ų | 136.7 | 84% | 0.84 | 80% | 0.803 | S | S | * | * | trans | 60.3 | 118.5 | 141.4 | 57.9 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1639 | A | 31.8 | Very low | 30.4 | Very low | 107 Ų | 107 | 136.3 Ų | 136.3 | 88% | 0.884 | 80% | 0.799 | S | S | * | * | trans | -149.3 | 134.2 | 142.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1640 | E | 28.5 | Very low | 30.2 | Very low | 199 Ų | 199 | 137.5 Ų | 137.5 | 93% | 0.93 | 80% | 0.795 | S | S | * | * | trans | -108 | 130.4 | -178.5 | -62 | -179.8 | 123.9 | 0 | 0 | 112.1 | ||||
| 1641 | A | 33.5 | Very low | 30.1 | Very low | 105 Ų | 105 | 140.7 Ų | 140.7 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | trans | -179.9 | 142.2 | 151.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1642 | G | 29.9 | Very low | 30.1 | Very low | 70 Ų | 70 | 137.3 Ų | 137.3 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | cis | 130.2 | 96.9 | -4.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1643 | C | 31.1 | Very low | 30.1 | Very low | 135 Ų | 135 | 136.4 Ų | 136.4 | 91% | 0.912 | 78% | 0.776 | S | S | * | * | trans | -172.7 | 121 | 153.9 | -99.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1644 | T | 33.9 | Very low | 30 | Very low | 141 Ų | 141 | 134.8 Ų | 134.8 | 87% | 0.865 | 77% | 0.774 | S | S | * | * | trans | -45 | 126.6 | 173.7 | 47 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1645 | G | 29.9 | Very low | 29.8 | Very low | 70 Ų | 70 | 132.2 Ų | 132.2 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | 87.3 | 122.6 | 115.7 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 1646 | Q | 31.6 | Very low | 29.8 | Very low | 157 Ų | 157 | 129.2 Ų | 129.2 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | -169.2 | 151.9 | 120.6 | -104.8 | 176.3 | 48 | 0 | 0 | 112.4 | |||||
| 1647 | N | 30.9 | Very low | 29.6 | Very low | 139 Ų | 139 | 124.8 Ų | 124.8 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | trans | 48.4 | 98.3 | 160.9 | -58.6 | -31.1 | 0 | 0 | 0 | 119.6 | ||||
| 1648 | V | 27.6 | Very low | 29.4 | Very low | 133 Ų | 133 | 124.5 Ų | 124.5 | 81% | 0.806 | 76% | 0.756 | S | S | * | * | trans | -90.2 | 120.8 | 161.5 | 175.5 | 0 | 0 | 0 | 0 | 109.9 | L1650 | V1648-L1650 PolarHBondContact O-N 3.47Š| ||
| 1649 | P | 30.8 | Very low | 29.5 | Very low | 123 Ų | 123 | 123.4 Ų | 123.4 | 80% | 0.799 | 75% | 0.751 | S | S | * | * | trans | -76.8 | 100.3 | 167.8 | -11.2 | 28.4 | 0 | 0 | 0 | 110.4 | ||||
| 1650 | L | 28.2 | Very low | 29.2 | Very low | 146 Ų | 146 | 122.7 Ų | 122.7 | 76% | 0.764 | 73% | 0.731 | S | S | * | * | trans | -65.9 | 129.5 | 156.5 | -75.3 | 161.2 | 0 | 0 | 0 | 108.6 | V1648 | V1648-L1650 PolarHBondContact O-N 3.47Š| ||
| 1651 | F | 26.8 | Very low | 29.3 | Very low | 202 Ų | 202 | 116.8 Ų | 116.8 | 89% | 0.886 | 71% | 0.71 | S | S | * | * | trans | 179.4 | 160.7 | 139.5 | -88.3 | -44.2 | 0 | 0 | 0 | 111.3 | ||||
| 1652 | P | 32.5 | Very low | 29.2 | Very low | 93 Ų | 93 | 117.1 Ų | 117.1 | 60% | 0.604 | 70% | 0.701 | S | S | * | * | trans | -130.7 | 138.7 | -138.7 | 35.4 | -16.1 | 0 | 0 | 0 | 115.9 | ||||
| 1653 | F | 26.9 | Very low | 29.4 | Very low | 110 Ų | 110 | 120.4 Ų | 120.4 | 48% | 0.482 | 69% | 0.691 | S | S | . | * | trans | -121.2 | 56.1 | 172.7 | -74.5 | -71.6 | 0 | 0 | 0 | 114.3 | T1200 | T1200-F1653 VanDerWaalsContact O-CE1 3.25Å; T1200-F1653 WeakPolarHBondContact O-CE1 3.43Å | ||
| 1654 | F | 27.6 | Very low | 29.8 | Very low | 170 Ų | 170 | 122.4 Ų | 122.4 | 75% | 0.746 | 69% | 0.688 | S | S | * | * | trans | -120.8 | 111.3 | 135 | -99.2 | -88.3 | 0 | 0 | 0 | 107.9 | P1656 | F1654-P1656 VanDerWaalsContact O-CD 3.26Å; F1654-P1656 WeakPolarHBondContact O-CD 3.3Å | ||
| 1655 | V | 26.8 | Very low | 30.2 | Very low | 82 Ų | 82 | 118.6 Ų | 118.6 | 50% | 0.497 | 67% | 0.67 | S | S | . | * | trans | -68.2 | 115.8 | 159.7 | 175.9 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 1656 | P | 27.9 | Very low | 31.1 | Very low | 98 Ų | 98 | 119 Ų | 119 | 64% | 0.636 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 144.4 | 170.6 | -16.4 | 31.1 | 0 | 0 | 0 | 107.8 | F1654 P1658 | F1654-P1656 VanDerWaalsContact O-CD 3.26Å; F1654-P1656 WeakPolarHBondContact O-CD 3.3Å; P1656-P1658 VanDerWaalsContact O-N 3.08Å |
| 1657 | A | 26.9 | Very low | 32.5 | Very low | 90 Ų | 90 | 114.4 Ų | 114.4 | 74% | 0.744 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -47.7 | 125.4 | 160.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||
| 1658 | P | 26.6 | Very low | 34 | Very low | 108 Ų | 108 | 110.6 Ų | 110.6 | 70% | 0.701 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 130.3 | -162 | 19.3 | -32.7 | 0 | 0 | 0 | 108.5 | P1656 M1660 | P1656-P1658 VanDerWaalsContact O-N 3.08Å; P1658-M1660 PolarHBondContact O-N 3.23Å |
| 1659 | P | 29.6 | Very low | 35.9 | Very low | 113 Ų | 113 | 110.8 Ų | 110.8 | 73% | 0.734 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 118.8 | -177.8 | 22.8 | -32.9 | 0 | 0 | 0 | 106.4 | P1661 | P1659-P1661 WeakPolarHBondContact O-CD 3.48Š|
| 1660 | M | 26.3 | Very low | 37.5 | Very low | 92 Ų | 92 | 110.3 Ų | 110.3 | 45% | 0.453 | 60% | 0.601 | S | S | . | * | P | Polyproline II helix | trans | -56 | 117.8 | -176.2 | -117.7 | -164.4 | 70.4 | 0 | 0 | 105.6 | Y1589 P1658 V1662 N1690 | Y1589-M1660 HydrophobicContact CE2-SD 4.47Å; Y1589-M1660 WeakPolarHBondContact OH-CB 3.49Å; Y1589-M1660 PolarHBondContact OH-SD 3.02Å; Y1589-M1660 VanDerWaalsContact OH-SD 3.34Å; P1658-M1660 PolarHBondContact O-N 3.23Å; M1660-V1662 PolarHBondContact O-N 2.94Å; M1660-N1690 HydrophobicContact CE-CB 4.17Å; M1660-N1690 WeakPolarHBondContact CE-O 3.17Å |
| 1661 | P | 29.6 | Very low | 39.1 | Very low | 76 Ų | 76 | 104.2 Ų | 104.2 | 49% | 0.494 | 57% | 0.569 | S | S | . | * | P | Polyproline II helix | trans | -60.5 | 121.6 | -171.2 | 22.3 | -32.4 | 0 | 0 | 0 | 106.3 | P1659 R1663 | P1659-P1661 WeakPolarHBondContact O-CD 3.48Å; P1661-R1663 HydrophobicContact CB-CG 4.14Å; P1661-R1663 HydrophobicContact CG-CG 4.16Å; P1661-R1663 PolarHBondContact O-N 3.18Å |
| 1662 | V | 31.7 | Very low | 40.9 | Very low | 112 Ų | 112 | 97.9 Ų | 97.9 | 68% | 0.679 | 54% | 0.541 | S | S | * | . | trans | -68.7 | 79.9 | 172.9 | -179.3 | 0 | 0 | 0 | 0 | 105.8 | M1660 Q1664 | M1660-V1662 PolarHBondContact O-N 2.94Å; V1662-Q1664 CarbonylContact O-C 3.55Å; V1662-Q1664 PolarHBondContact O-N 2.71Å; V1662-Q1664 VanDerWaalsContact O-N 3.11Å | ||
| 1663 | R | 35.3 | Very low | 42.5 | Very low | 138 Ų | 138 | 101.3 Ų | 101.3 | 52% | 0.521 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -69.5 | 109.8 | -176.2 | -79.4 | 174.4 | 173.6 | -121.5 | -15.7 | 106 | D1571 P1661 | D1571-R1663 VanDerWaalsContact CG-NH1 3.33Å; D1571-R1663 IonicContact OD1-CZ 2.86Å; D1571-R1663 IonicContact OD1-NH1 3.71Å; D1571-R1663 PolarHBondContact OD1-NH1 3.22Å; D1571-R1663 IonicContact OD1-NH2 3.7Å; D1571-R1663 PolarHBondContact OD1-NH2 3.32Å; D1571-R1663 IonicContact OD2-CZ 2.66Å; D1571-R1663 VanDerWaalsContact OD2-CZ 3.29Å; D1571-R1663 IonicContact OD2-NH1 3.99Å; D1571-R1663 IonicContact OD2-NH2 3.29Å; D1571-R1663 PolarHBondContact OD2-NH2 2.99Å; P1661-R1663 HydrophobicContact CB-CG 4.14Å; P1661-R1663 HydrophobicContact CG-CG 4.16Å; P1661-R1663 PolarHBondContact O-N 3.18Å |
| 1664 | Q | 39.2 | Very low | 43.8 | Very low | 178 Ų | 178 | 99.5 Ų | 99.5 | 83% | 0.832 | 53% | 0.532 | S | S | * | . | S | Bend | trans | 71.4 | 109.3 | -162.1 | -56.8 | 166.7 | -69.1 | 0 | 0 | 111.5 | V1662 V1666 | V1662-Q1664 CarbonylContact O-C 3.55Å; V1662-Q1664 PolarHBondContact O-N 2.71Å; V1662-Q1664 VanDerWaalsContact O-N 3.11Å; Q1664-V1666 PolarHBondContact O-N 2.98Å |
| 1665 | A | 42.6 | Very low | 45.6 | Very low | 60 Ų | 60 | 92.8 Ų | 92.8 | 50% | 0.496 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 124.1 | 158 | 0 | 0 | 0 | 0 | 0 | 107.5 | P1667 | A1665-P1667 WeakPolarHBondContact O-CD 3.37Š|
| 1666 | V | 48.3 | Very low | 47.3 | Very low | 78 Ų | 78 | 95.1 Ų | 95.1 | 47% | 0.473 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 120.8 | 171.8 | 179.3 | 0 | 0 | 0 | 0 | 107.7 | Q1664 E1670 | Q1664-V1666 PolarHBondContact O-N 2.98Å; V1666-E1670 HydrophobicContact CG1-CB 3.51Å |
| 1667 | P | 60.2 | Low | 48.7 | Very low | 62 Ų | 62 | 93.8 Ų | 93.8 | 40% | 0.403 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 155.8 | 174.6 | -24.3 | 35.6 | 0 | 0 | 0 | 111.8 | A1665 E1669 E1670 H1671 | A1665-P1667 WeakPolarHBondContact O-CD 3.37Å; P1667-E1669 PolarHBondContact O-N 3.45Å; P1667-E1670 VanDerWaalsContact CD-OE2 3.29Å; P1667-E1670 WeakPolarHBondContact CD-OE2 2.94Å; P1667-E1670 HydrophobicContact CG-CG 4.43Å; P1667-E1670 PolarHBondContact O-N 3.24Å; P1667-H1671 PolarHBondContact O-N 3.28Å |
| 1668 | L | 62.1 | Low | 50.1 | Low | 59 Ų | 59 | 92.6 Ų | 92.6 | 31% | 0.309 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -58 | -38.4 | -179.5 | -149.3 | 78.6 | 0 | 0 | 0 | 110.8 | E1670 H1671 F1672 L1721 | L1668-E1670 PolarHBondContact O-N 3.35Å; L1668-H1671 PolarHBondContact O-N 3.29Å; L1668-F1672 HydrophobicContact CD2-CE2 3.82Å; L1668-F1672 HydrophobicContact CG-CD2 4.38Å; L1668-F1672 HydrophobicContact CG-CE2 3.76Å; L1668-F1672 WeakPolarHBondContact O-CD2 3.21Å; L1668-F1672 PolarHBondContact O-N 3.18Å; L1668-L1721 HydrophobicContact CD1-CB 4.46Å; L1668-L1721 HydrophobicContact CD1-CD2 3.87Å |
| 1669 | E | 68 | Low | 51.7 | Low | 137 Ų | 137 | 93.1 Ų | 93.1 | 64% | 0.64 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -63.4 | -32.2 | 174.8 | -64.6 | 84.3 | 171.7 | 0 | 0 | 114 | P1667 R1673 | P1667-E1669 PolarHBondContact O-N 3.45Å; E1669-R1673 WeakPolarHBondContact O-CB 3.39Å; E1669-R1673 PolarHBondContact O-N 2.89Å |
| 1670 | E | 63.5 | Low | 53 | Low | 112 Ų | 112 | 91.2 Ų | 91.2 | 52% | 0.523 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -74.8 | -31.6 | 174.8 | -76.6 | -166.7 | 157.2 | 0 | 0 | 111.6 | V1666 P1667 L1668 Y1674 | V1666-E1670 HydrophobicContact CG1-CB 3.51Å; P1667-E1670 VanDerWaalsContact CD-OE2 3.29Å; P1667-E1670 WeakPolarHBondContact CD-OE2 2.94Å; P1667-E1670 HydrophobicContact CG-CG 4.43Å; P1667-E1670 PolarHBondContact O-N 3.24Å; L1668-E1670 PolarHBondContact O-N 3.35Å; E1670-Y1674 WeakPolarHBondContact O-CB 3.23Å; E1670-Y1674 PolarHBondContact O-N 3.2Å |
| 1671 | H | 62 | Low | 53.9 | Low | 19 Ų | 19 | 90 Ų | 90 | 9% | 0.088 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -67.6 | -43.7 | 171.8 | -175 | 68.7 | 0 | 0 | 0 | 112 | P1667 L1668 R1673 Y1674 I1675 L1721 | P1667-H1671 PolarHBondContact O-N 3.28Å; L1668-H1671 PolarHBondContact O-N 3.29Å; H1671-R1673 PolarHBondContact O-N 3.13Å; H1671-Y1674 WeakPolarHBondContact O-CA 3.12Å; H1671-Y1674 WeakPolarHBondContact O-CB 3.48Å; H1671-Y1674 PolarHBondContact O-N 2.64Å; H1671-I1675 WeakPolarHBondContact NE2-CD1 3.4Å; H1671-I1675 PolarHBondContact O-N 2.99Å; H1671-L1721 HydrophobicContact CB-CD1 4.16Å; H1671-L1721 HydrophobicContact CB-CD2 4.09Å; H1671-L1721 WeakPolarHBondContact CD2-CD1 3.25Å; H1671-L1721 VanDerWaalsContact CG-CD1 3.42Å; H1671-L1721 WeakPolarHBondContact NE2-CD1 3.44Å |
| 1672 | F | 65.3 | Low | 54.3 | Low | 68 Ų | 68 | 93.8 Ų | 93.8 | 30% | 0.298 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.7 | -42.8 | 174.7 | -71.6 | -57.2 | 0 | 0 | 0 | 112.1 | L1668 Y1674 I1675 E1676 N1714 | L1668-F1672 HydrophobicContact CD2-CE2 3.82Å; L1668-F1672 HydrophobicContact CG-CD2 4.38Å; L1668-F1672 HydrophobicContact CG-CE2 3.76Å; L1668-F1672 WeakPolarHBondContact O-CD2 3.21Å; L1668-F1672 PolarHBondContact O-N 3.18Å; F1672-Y1674 VanDerWaalsContact C-N 3.28Å; F1672-Y1674 PolarHBondContact O-N 2.84Å; F1672-I1675 PolarHBondContact O-N 2.72Å; F1672-I1675 VanDerWaalsContact O-N 3.16Å; F1672-E1676 WeakPolarHBondContact O-CG 3.42Å; F1672-E1676 PolarHBondContact O-N 3.24Å; F1672-N1714 WeakPolarHBondContact CE1-OD1 3.25Å; F1672-N1714 VanDerWaalsContact CZ-OD1 3.23Å; F1672-N1714 WeakPolarHBondContact CZ-OD1 3.1Å |
| 1673 | R | 66.5 | Low | 54.5 | Low | 166 Ų | 166 | 92.8 Ų | 92.8 | 63% | 0.626 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -60.1 | -35 | 170.2 | -84 | -179.3 | 156.7 | -168.2 | -5.7 | 113.5 | E1669 H1671 I1675 E1676 N1677 | E1669-R1673 WeakPolarHBondContact O-CB 3.39Å; E1669-R1673 PolarHBondContact O-N 2.89Å; H1671-R1673 PolarHBondContact O-N 3.13Å; R1673-I1675 VanDerWaalsContact C-N 3.35Å; R1673-E1676 PolarHBondContact O-N 2.95Å; R1673-N1677 VanDerWaalsContact O-CB 3.31Å; R1673-N1677 WeakPolarHBondContact O-CB 3.31Å; R1673-N1677 PolarHBondContact O-N 3.27Å; R1673-N1677 PolarHBondContact O-ND2 2.91Å; R1673-N1677 VanDerWaalsContact O-ND2 3.12Å |
| 1674 | Y | 54.8 | Low | 54.5 | Low | 71 Ų | 71 | 97 Ų | 97 | 28% | 0.278 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.2 | -38.4 | 176 | -167.8 | -88.3 | 0 | 0 | 0 | 111.5 | E1670 H1671 F1672 Y1678 L1683 W1688 | E1670-Y1674 WeakPolarHBondContact O-CB 3.23Å; E1670-Y1674 PolarHBondContact O-N 3.2Å; H1671-Y1674 WeakPolarHBondContact O-CA 3.12Å; H1671-Y1674 WeakPolarHBondContact O-CB 3.48Å; H1671-Y1674 PolarHBondContact O-N 2.64Å; F1672-Y1674 VanDerWaalsContact C-N 3.28Å; F1672-Y1674 PolarHBondContact O-N 2.84Å; Y1674-Y1678 AromaticContact CE1-CD2 3.99Å; Y1674-Y1678 HydrophobicContact CE1-CD2 3.99Å; Y1674-Y1678 WeakPolarHBondContact O-CB 3.42Å; Y1674-Y1678 PolarHBondContact O-N 3.22Å; Y1674-L1683 HydrophobicContact CD2-CD1 3.97Å; Y1674-L1683 HydrophobicContact CE2-CD1 3.65Å; Y1674-W1688 AromaticContact CZ-NE1 3.89Å; Y1674-W1688 PolarHBondContact OH-NE1 3.45Å |
| 1675 | I | 64 | Low | 54.1 | Low | 29 Ų | 29 | 94.7 Ų | 94.7 | 15% | 0.149 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -66.7 | -48.7 | 172.9 | -65.5 | 171.1 | 0 | 0 | 0 | 110.8 | H1671 F1672 R1673 N1677 Y1678 E1679 | H1671-I1675 WeakPolarHBondContact NE2-CD1 3.4Å; H1671-I1675 PolarHBondContact O-N 2.99Å; F1672-I1675 PolarHBondContact O-N 2.72Å; F1672-I1675 VanDerWaalsContact O-N 3.16Å; R1673-I1675 VanDerWaalsContact C-N 3.35Å; I1675-N1677 VanDerWaalsContact C-N 3.27Å; I1675-N1677 PolarHBondContact O-N 2.93Å; I1675-Y1678 WeakPolarHBondContact O-CA 3.48Å; I1675-Y1678 WeakPolarHBondContact O-CB 3.41Å; I1675-Y1678 PolarHBondContact O-N 2.83Å; I1675-E1679 PolarHBondContact O-N 3.05Å |
| 1676 | E | 62.8 | Low | 53.8 | Low | 132 Ų | 132 | 98.5 Ų | 98.5 | 62% | 0.617 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -55 | -42.6 | 176 | -71.5 | -177.4 | 136.2 | 0 | 0 | 111.8 | F1672 R1673 Y1678 E1679 S1680 | F1672-E1676 WeakPolarHBondContact O-CG 3.42Å; F1672-E1676 PolarHBondContact O-N 3.24Å; R1673-E1676 PolarHBondContact O-N 2.95Å; E1676-Y1678 VanDerWaalsContact C-N 3.34Å; E1676-E1679 PolarHBondContact O-N 3.29Å; E1676-S1680 WeakPolarHBondContact O-CB 3.45Å; E1676-S1680 PolarHBondContact O-N 2.81Å |
| 1677 | N | 56.8 | Low | 53.1 | Low | 69 Ų | 69 | 101.8 Ų | 101.8 | 37% | 0.369 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -72.6 | -24.5 | 177.1 | -69.4 | -28.1 | 0 | 0 | 0 | 113.4 | R1673 I1675 S1680 G1681 L1683 | R1673-N1677 VanDerWaalsContact O-CB 3.31Å; R1673-N1677 WeakPolarHBondContact O-CB 3.31Å; R1673-N1677 PolarHBondContact O-N 3.27Å; R1673-N1677 PolarHBondContact O-ND2 2.91Å; R1673-N1677 VanDerWaalsContact O-ND2 3.12Å; I1675-N1677 VanDerWaalsContact C-N 3.27Å; I1675-N1677 PolarHBondContact O-N 2.93Å; N1677-S1680 WeakPolarHBondContact CA-OG 3.29Å; N1677-S1680 PolarHBondContact O-OG 2.77Å; N1677-G1681 PolarHBondContact O-N 3.14Å; N1677-G1681 VanDerWaalsContact O-N 3.08Å; N1677-L1683 HydrophobicContact CB-CD1 4.18Å; N1677-L1683 HydrophobicContact CB-CG 4.49Å |
| 1678 | Y | 56.4 | Low | 52.2 | Low | 66 Ų | 66 | 105.4 Ų | 105.4 | 26% | 0.259 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -75.3 | -32.8 | 173.3 | -144.1 | -83.6 | 0 | 0 | 0 | 111.9 | Y1674 I1675 E1676 L1703 | Y1674-Y1678 AromaticContact CE1-CD2 3.99Å; Y1674-Y1678 HydrophobicContact CE1-CD2 3.99Å; Y1674-Y1678 WeakPolarHBondContact O-CB 3.42Å; Y1674-Y1678 PolarHBondContact O-N 3.22Å; I1675-Y1678 WeakPolarHBondContact O-CA 3.48Å; I1675-Y1678 WeakPolarHBondContact O-CB 3.41Å; I1675-Y1678 PolarHBondContact O-N 2.83Å; E1676-Y1678 VanDerWaalsContact C-N 3.34Å; Y1678-L1703 HydrophobicContact CE1-CD1 3.63Å |
| 1679 | E | 60.5 | Low | 51.1 | Low | 119 Ų | 119 | 107.2 Ų | 107.2 | 56% | 0.556 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -80.1 | -25.3 | 171.5 | -64.6 | -157.8 | 138.9 | 0 | 0 | 112.8 | I1675 E1676 R1712 | I1675-E1679 PolarHBondContact O-N 3.05Å; E1676-E1679 PolarHBondContact O-N 3.29Å; E1679-R1712 IonicContact OE1-NE 3.76Å; E1679-R1712 IonicContact OE1-NH2 3.35Å; E1679-R1712 PolarHBondContact OE1-NH2 2.9Å |
| 1680 | S | 57.5 | Low | 49.7 | Very low | 73 Ų | 73 | 104.2 Ų | 104.2 | 51% | 0.51 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -79 | -26.8 | 173.9 | 81.9 | 0 | 0 | 0 | 0 | 114.3 | E1676 N1677 E1682 | E1676-S1680 WeakPolarHBondContact O-CB 3.45Å; E1676-S1680 PolarHBondContact O-N 2.81Å; N1677-S1680 WeakPolarHBondContact CA-OG 3.29Å; N1677-S1680 PolarHBondContact O-OG 2.77Å; S1680-E1682 PolarHBondContact OG-N 2.78Å |
| 1681 | G | 44.9 | Very low | 48.5 | Very low | 66 Ų | 66 | 102.1 Ų | 102.1 | 68% | 0.68 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.3 | 3.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | N1677 | N1677-G1681 PolarHBondContact O-N 3.14Å; N1677-G1681 VanDerWaalsContact O-N 3.08Å |
| 1682 | E | 38.9 | Very low | 47 | Very low | 155 Ų | 155 | 103.9 Ų | 103.9 | 72% | 0.724 | 51% | 0.509 | S | S | * | . | trans | -101.1 | 99 | 179.8 | -66 | -163.1 | 153.4 | 0 | 0 | 112.5 | S1680 | S1680-E1682 PolarHBondContact OG-N 2.78Š| ||
| 1683 | L | 35.2 | Very low | 45.6 | Very low | 92 Ų | 92 | 108.1 Ų | 108.1 | 48% | 0.482 | 52% | 0.523 | S | S | . | . | trans | -148.2 | 115.8 | 166.5 | -113.3 | 164.7 | 0 | 0 | 0 | 112.3 | Y1674 N1677 | Y1674-L1683 HydrophobicContact CD2-CD1 3.97Å; Y1674-L1683 HydrophobicContact CE2-CD1 3.65Å; N1677-L1683 HydrophobicContact CB-CD1 4.18Å; N1677-L1683 HydrophobicContact CB-CG 4.49Å | ||
| 1684 | Y | 35.9 | Very low | 44.4 | Very low | 226 Ų | 226 | 107.1 Ų | 107.1 | 89% | 0.886 | 52% | 0.523 | S | S | * | . | trans | -95 | 162.1 | 172.1 | -87.2 | -112.5 | 0 | 0 | 0 | 111 | ||||
| 1685 | R | 30.4 | Very low | 43.8 | Very low | 129 Ų | 129 | 106.5 Ų | 106.5 | 49% | 0.487 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -74.5 | 124.5 | -169.8 | 168.1 | -130.9 | -99.4 | 126.2 | 5.4 | 113.1 | N1585 L1586 | N1585-R1685 VanDerWaalsContact OD1-CZ 3.27Å; N1585-R1685 PolarHBondContact OD1-NE 2.83Å; N1585-R1685 PolarHBondContact OD1-NH2 2.87Å; L1586-R1685 HydrophobicContact CD1-CG 4.21Å |
| 1686 | E | 35.1 | Very low | 42.9 | Very low | 140 Ų | 140 | 109.4 Ų | 109.4 | 65% | 0.654 | 55% | 0.546 | S | S | * | . | -159.5 | -37.3 | 129.9 | -115.1 | 154.4 | -140.8 | 0 | 0 | 117.8 | W1688 N1689 | E1686-W1688 PolarHBondContact O-N 2.95Å; E1686-N1689 PolarHBondContact O-ND2 2.85Å; E1686-N1689 VanDerWaalsContact O-ND2 3.11Å | |||
| 1687 | D | 34.6 | Very low | 42.1 | Very low | 147 Ų | 147 | 114.1 Ų | 114.1 | 79% | 0.786 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -76.4 | -16.7 | -158.3 | -57.7 | -69.5 | 0 | 0 | 0 | 118.6 | N1689 | D1687-N1689 PolarHBondContact O-N 3.44Š|
| 1688 | W | 40.7 | Very low | 41.9 | Very low | 138 Ų | 138 | 112.8 Ų | 112.8 | 52% | 0.523 | 55% | 0.551 | S | S | . | * | G | 310 helix | trans | -64.7 | -1.5 | -173 | -90.7 | 61.5 | 0 | 0 | 0 | 114.5 | L1586 V1587 Y1674 E1686 N1690 F1691 | L1586-W1688 HydrophobicContact CD2-CB 3.48Å; L1586-W1688 VanDerWaalsContact CD2-CB 3.48Å; V1587-W1688 WeakPolarHBondContact CB-O 3.2Å; V1587-W1688 HydrophobicContact CG1-CB 4.41Å; V1587-W1688 HydrophobicContact CG1-CE3 3.68Å; V1587-W1688 HydrophobicContact CG1-CZ3 4.42Å; V1587-W1688 VanDerWaalsContact CG1-O 3.24Å; V1587-W1688 WeakPolarHBondContact CG1-O 3.46Å; V1587-W1688 WeakPolarHBondContact CG2-O 3.29Å; Y1674-W1688 AromaticContact CZ-NE1 3.89Å; Y1674-W1688 PolarHBondContact OH-NE1 3.45Å; E1686-W1688 PolarHBondContact O-N 2.95Å; W1688-N1690 VanDerWaalsContact C-N 3.33Å; W1688-N1690 PolarHBondContact O-N 3.26Å; W1688-F1691 VanDerWaalsContact O-CD2 3.26Å; W1688-F1691 WeakPolarHBondContact O-CD2 3.4Å |
| 1689 | N | 39.5 | Very low | 41.8 | Very low | 98 Ų | 98 | 112.1 Ų | 112.1 | 52% | 0.524 | 55% | 0.553 | S | S | . | * | G | 310 helix | trans | -61.4 | -12.2 | -159.5 | -98.3 | -58.8 | 0 | 0 | 0 | 119.2 | L1586 V1587 E1686 D1687 F1691 | L1586-N1689 HydrophobicContact CD2-CB 4.23Å; L1586-N1689 WeakPolarHBondContact CG-OD1 3.24Å; V1587-N1689 WeakPolarHBondContact CG2-O 3.25Å; E1686-N1689 PolarHBondContact O-ND2 2.85Å; E1686-N1689 VanDerWaalsContact O-ND2 3.11Å; D1687-N1689 PolarHBondContact O-N 3.44Å; N1689-F1691 VanDerWaalsContact C-N 3.26Å; N1689-F1691 PolarHBondContact O-N 3.45Å |
| 1690 | N | 39 | Very low | 41.8 | Very low | 73 Ų | 73 | 108.8 Ų | 108.8 | 39% | 0.39 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | 5.4 | -166.1 | -90.6 | -32.7 | 0 | 0 | 0 | 118.6 | Y1589 M1660 W1688 | Y1589-N1690 PolarHBondContact OH-O 3.03Å; M1660-N1690 HydrophobicContact CE-CB 4.17Å; M1660-N1690 WeakPolarHBondContact CE-O 3.17Å; W1688-N1690 VanDerWaalsContact C-N 3.33Å; W1688-N1690 PolarHBondContact O-N 3.26Å |
| 1691 | F | 36.8 | Very low | 42.3 | Very low | 69 Ų | 69 | 111.2 Ų | 111.2 | 30% | 0.303 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -144.8 | -4.7 | -154 | -42.5 | -119.7 | 0 | 0 | 0 | 118.9 | V1587 M1588 Y1589 W1688 N1689 | V1587-F1691 HydrophobicContact CB-CB 3.99Å; V1587-F1691 HydrophobicContact CB-CD2 4.31Å; V1587-F1691 HydrophobicContact CG1-CB 3.74Å; V1587-F1691 HydrophobicContact CG1-CD2 3.62Å; V1587-F1691 HydrophobicContact CG1-CE2 4.4Å; V1587-F1691 HydrophobicContact CG1-CG 3.92Å; V1587-F1691 HydrophobicContact CG2-CB 3.77Å; V1587-F1691 HydrophobicContact CG2-CD2 3.95Å; V1587-F1691 HydrophobicContact CG2-CG 4.34Å; V1587-F1691 VanDerWaalsContact CG2-N 3.27Å; M1588-F1691 VanDerWaalsContact C-CB 3.41Å; M1588-F1691 HydrophobicContact CB-CB 4.32Å; M1588-F1691 WeakPolarHBondContact CB-O 3.37Å; M1588-F1691 WeakPolarHBondContact CE-O 3.35Å; M1588-F1691 VanDerWaalsContact CG-O 3.28Å; M1588-F1691 WeakPolarHBondContact CG-O 3.4Å; M1588-F1691 PolarHBondContact N-O 2.87Å; M1588-F1691 VanDerWaalsContact N-O 3.12Å; M1588-F1691 VanDerWaalsContact O-CB 3.29Å; M1588-F1691 WeakPolarHBondContact O-CB 3.37Å; M1588-F1691 VanDerWaalsContact O-CD1 3.28Å; M1588-F1691 WeakPolarHBondContact O-CD1 3.37Å; M1588-F1691 WeakPolarHBondContact O-CG 3.22Å; Y1589-F1691 AromaticContact CD1-CD1 3.4Å; Y1589-F1691 HydrophobicContact CD1-CD1 3.4Å; Y1589-F1691 AromaticContact CD1-CE1 3.75Å; Y1589-F1691 HydrophobicContact CD1-CE1 3.75Å; Y1589-F1691 HydrophobicContact CD2-CB 3.75Å; Y1589-F1691 AromaticContact CD2-CD1 3.62Å; Y1589-F1691 HydrophobicContact CD2-CD1 3.62Å; Y1589-F1691 HydrophobicContact CD2-CG 4.12Å; Y1589-F1691 AromaticContact CE1-CD1 3.33Å; Y1589-F1691 HydrophobicContact CE1-CD1 3.33Å; Y1589-F1691 AromaticContact CE1-CE1 3.62Å; Y1589-F1691 HydrophobicContact CE1-CE1 3.62Å; Y1589-F1691 HydrophobicContact CE1-CG 4.28Å; Y1589-F1691 HydrophobicContact CE2-CB 3.59Å; Y1589-F1691 AromaticContact CE2-CD1 3.56Å; Y1589-F1691 HydrophobicContact CE2-CD1 3.56Å; Y1589-F1691 AromaticContact CE2-CG 3.84Å; Y1589-F1691 HydrophobicContact CE2-CG 3.84Å; Y1589-F1691 HydrophobicContact CG-CB 4.43Å; Y1589-F1691 AromaticContact CG-CD1 3.49Å; Y1589-F1691 HydrophobicContact CG-CD1 3.49Å; Y1589-F1691 VanDerWaalsContact CG-CD1 3.49Å; Y1589-F1691 HydrophobicContact CG-CE1 4.26Å; Y1589-F1691 HydrophobicContact CG-CG 4.42Å; Y1589-F1691 AromaticContact CZ-CD1 3.36Å; Y1589-F1691 AromaticContact CZ-CG 3.87Å; W1688-F1691 VanDerWaalsContact O-CD2 3.26Å; W1688-F1691 WeakPolarHBondContact O-CD2 3.4Å; N1689-F1691 VanDerWaalsContact C-N 3.26Å; N1689-F1691 PolarHBondContact O-N 3.45Å |
| 1692 | G | 30.9 | Very low | 43.2 | Very low | 56 Ų | 56 | 114.6 Ų | 114.6 | 58% | 0.577 | 55% | 0.55 | S | S | * | . | trans | 112.2 | -100.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 120.6 | V1587 | V1587-G1692 PolarHBondContact N-O 2.82Š| ||
| 1693 | R | 36.7 | Very low | 44.4 | Very low | 157 Ų | 157 | 108 Ų | 108 | 59% | 0.592 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -65.1 | 132 | -162.1 | -74.6 | 176.6 | 174 | -163.8 | -2.6 | 117.7 | L1586 V1587 M1588 | L1586-R1693 VanDerWaalsContact C-C 3.49Å; L1586-R1693 CarbonylContact C-O 3.54Å; V1587-R1693 CarbonylContact C-O 3.26Å; V1587-R1693 VanDerWaalsContact C-O 3.23Å; V1587-R1693 VanDerWaalsContact CA-O 3.27Å; V1587-R1693 WeakPolarHBondContact CA-O 3.28Å; V1587-R1693 PolarHBondContact N-O 3.03Å; M1588-R1693 HydrophobicContact CG-CB 3.7Å; M1588-R1693 HydrophobicContact CG-CG 3.51Å; M1588-R1693 HydrophobicContact SD-CB 4.46Å; M1588-R1693 HydrophobicContact SD-CG 3.62Å |
| 1694 | K | 41.2 | Very low | 46.1 | Very low | 145 Ų | 145 | 105.3 Ų | 105.3 | 63% | 0.63 | 51% | 0.507 | S | S | * | . | trans | -36.5 | 131.5 | 175.7 | -60.2 | -121.7 | 177.4 | -166.5 | 0 | 115.4 | Q1584 N1585 L1586 | Q1584-K1694 PolarHBondContact O-NZ 2.92Å; N1585-K1694 VanDerWaalsContact O-CD 3.25Å; N1585-K1694 WeakPolarHBondContact O-CD 3.35Å; N1585-K1694 WeakPolarHBondContact O-CE 3.45Å; N1585-K1694 WeakPolarHBondContact O-CG 3.14Å; L1586-K1694 CarbonylContact O-C 3.45Å | ||
| 1695 | P | 41.3 | Very low | 48.1 | Very low | 58 Ų | 58 | 99.2 Ų | 99.2 | 38% | 0.377 | 50% | 0.496 | S | S | . | . | trans | -86.8 | 144.4 | -170.7 | 35.4 | -30.5 | 0 | 0 | 0 | 110.2 | N1585 L1586 | N1585-P1695 VanDerWaalsContact CB-CD 3.48Å; N1585-P1695 HydrophobicContact CB-CG 3.83Å; N1585-P1695 VanDerWaalsContact ND2-CG 3.28Å; N1585-P1695 WeakPolarHBondContact ND2-CG 3.26Å; L1586-P1695 HydrophobicContact CB-CB 4.34Å; L1586-P1695 HydrophobicContact CB-CG 3.63Å; L1586-P1695 WeakPolarHBondContact O-CA 3.49Å; L1586-P1695 WeakPolarHBondContact O-CB 3.42Å; L1586-P1695 WeakPolarHBondContact O-CD 3.46Å; L1586-P1695 WeakPolarHBondContact O-CG 3.25Å | ||
| 1696 | V | 46.1 | Very low | 50.3 | Low | 89 Ų | 89 | 97 Ų | 97 | 54% | 0.539 | 49% | 0.49 | S | S | . | . | trans | -89 | 130.8 | 170.6 | -176.5 | 0 | 0 | 0 | 0 | 108 | I1698 I1736 | V1696-I1698 VanDerWaalsContact C-N 3.28Å; V1696-I1698 HydrophobicContact CB-CG1 4.26Å; V1696-I1698 HydrophobicContact CG1-CG1 4Å; V1696-I1698 PolarHBondContact O-N 3.09Å; V1696-I1736 HydrophobicContact CB-CD1 4.49Å; V1696-I1736 HydrophobicContact CG2-CD1 4.23Å; V1696-I1736 HydrophobicContact CG2-CG1 4.37Å | ||
| 1697 | R | 46.8 | Very low | 52.2 | Low | 232 Ų | 232 | 90.3 Ų | 90.3 | 88% | 0.875 | 46% | 0.459 | S | S | * | . | trans | -77.3 | 83.2 | 173.8 | -167.4 | -177.5 | -168 | -172.8 | 4 | 109 | ||||
| 1698 | I | 51.4 | Low | 54.4 | Low | 41 Ų | 41 | 86.4 Ų | 86.4 | 21% | 0.21 | 43% | 0.434 | C | S | . | . | trans | -76.8 | 125.3 | 173.4 | -59.4 | 175.1 | 0 | 0 | 0 | 107.5 | V1696 K1702 L1703 L1732 I1736 | V1696-I1698 VanDerWaalsContact C-N 3.28Å; V1696-I1698 HydrophobicContact CB-CG1 4.26Å; V1696-I1698 HydrophobicContact CG1-CG1 4Å; V1696-I1698 PolarHBondContact O-N 3.09Å; I1698-K1702 HydrophobicContact CG2-CB 4.19Å; I1698-L1703 HydrophobicContact CG2-CG 4.34Å; I1698-L1732 HydrophobicContact CD1-CD2 3.75Å; I1698-I1736 HydrophobicContact CD1-CD1 4.28Å; I1698-I1736 HydrophobicContact CD1-CG1 4.28Å | ||
| 1699 | T | 54.5 | Low | 56.3 | Low | 51 Ų | 51 | 85.7 Ų | 85.7 | 31% | 0.313 | 43% | 0.434 | S | S | . | . | trans | -97.8 | 158.2 | 175.9 | 48.2 | 0 | 0 | 0 | 0 | 109.6 | D1701 K1702 | T1699-D1701 WeakPolarHBondContact CB-OD1 3.36Å; T1699-D1701 PolarHBondContact O-N 3.33Å; T1699-D1701 VanDerWaalsContact O-N 3.08Å; T1699-D1701 PolarHBondContact OG1-OD1 2.77Å; T1699-K1702 PolarHBondContact O-N 2.81Å | ||
| 1700 | A | 61.2 | Low | 58.2 | Low | 50 Ų | 50 | 81.8 Ų | 81.8 | 41% | 0.413 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -54.7 | -31.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | K1702 W1708 | A1700-K1702 PolarHBondContact O-N 2.86Å; A1700-W1708 HydrophobicContact CB-CZ2 4.13Å; A1700-W1708 PolarHBondContact O-NE1 2.91Å; A1700-W1708 VanDerWaalsContact O-NE1 3.16Å |
| 1701 | D | 67.9 | Low | 59.8 | Low | 123 Ų | 123 | 79.1 Ų | 79.1 | 66% | 0.658 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -69.7 | -8.8 | 174.8 | 61 | -59 | 0 | 0 | 0 | 114.9 | T1699 | T1699-D1701 WeakPolarHBondContact CB-OD1 3.36Å; T1699-D1701 PolarHBondContact O-N 3.33Å; T1699-D1701 VanDerWaalsContact O-N 3.08Å; T1699-D1701 PolarHBondContact OG1-OD1 2.77Å |
| 1702 | K | 63.2 | Low | 61.7 | Low | 138 Ų | 138 | 84 Ų | 84 | 60% | 0.6 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -118.6 | 3 | -173.9 | -59.7 | -179.9 | -173.4 | 162.9 | 0 | 114.1 | I1698 T1699 A1700 | I1698-K1702 HydrophobicContact CG2-CB 4.19Å; T1699-K1702 PolarHBondContact O-N 2.81Å; A1700-K1702 PolarHBondContact O-N 2.86Å |
| 1703 | L | 64.8 | Low | 64 | Low | 15 Ų | 15 | 85.8 Ų | 85.8 | 8% | 0.079 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -72.5 | 129.4 | 169.5 | -87.7 | 157.8 | 0 | 0 | 0 | 110 | Y1678 I1698 A1707 W1708 L1711 L1732 | Y1678-L1703 HydrophobicContact CE1-CD1 3.63Å; I1698-L1703 HydrophobicContact CG2-CG 4.34Å; L1703-A1707 HydrophobicContact CD2-CB 3.58Å; L1703-W1708 HydrophobicContact CB-CG 4.36Å; L1703-W1708 HydrophobicContact CD1-CZ2 4.34Å; L1703-L1711 HydrophobicContact CD1-CD1 3.76Å; L1703-L1711 HydrophobicContact CD2-CD1 4.13Å; L1703-L1732 HydrophobicContact CD2-CD2 3.71Å |
| 1704 | P | 71.1 | Confident | 66 | Low | 36 Ų | 36 | 83.9 Ų | 83.9 | 23% | 0.234 | 41% | 0.41 | C | S | . | . | trans | -57.6 | 151 | 170 | -23.7 | 33.2 | 0 | 0 | 0 | 111.9 | E1706 A1707 W1708 A1735 | P1704-E1706 PolarHBondContact O-N 2.92Å; P1704-E1706 VanDerWaalsContact O-N 3.15Å; P1704-A1707 HydrophobicContact CB-CB 4.47Å; P1704-A1707 WeakPolarHBondContact O-CB 3.4Å; P1704-A1707 PolarHBondContact O-N 3.09Å; P1704-W1708 PolarHBondContact O-N 3.21Å; P1704-W1708 VanDerWaalsContact O-N 3.11Å; P1704-A1735 HydrophobicContact CG-CB 3.84Å | ||
| 1705 | P | 76.2 | Confident | 67.4 | Low | 99 Ų | 99 | 77.1 Ų | 77.1 | 64% | 0.643 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -54.2 | -35.2 | 178.2 | -28.5 | 36.2 | 0 | 0 | 0 | 114.2 | W1708 K1709 | P1705-W1708 WeakPolarHBondContact O-CB 3.28Å; P1705-W1708 PolarHBondContact O-N 2.86Å; P1705-K1709 PolarHBondContact O-N 3.3Å |
| 1706 | E | 76.9 | Confident | 69.1 | Low | 81 Ų | 81 | 78.9 Ų | 78.9 | 38% | 0.379 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -69 | -39 | 177 | -54.5 | -50.3 | 123.6 | 0 | 0 | 112.3 | P1704 W1708 K1709 I1710 | P1704-E1706 PolarHBondContact O-N 2.92Å; P1704-E1706 VanDerWaalsContact O-N 3.15Å; E1706-W1708 VanDerWaalsContact C-N 3.26Å; E1706-W1708 PolarHBondContact O-N 3.49Å; E1706-K1709 WeakPolarHBondContact O-CB 3.42Å; E1706-K1709 PolarHBondContact O-N 2.88Å; E1706-K1709 VanDerWaalsContact OE1-CE 3.3Å; E1706-K1709 WeakPolarHBondContact OE1-CE 3.48Å; E1706-K1709 IonicContact OE1-NZ 2.73Å; E1706-K1709 PolarHBondContact OE1-NZ 3.42Å; E1706-K1709 WeakPolarHBondContact OE2-CD 3.45Å; E1706-K1709 WeakPolarHBondContact OE2-CE 3.32Å; E1706-K1709 IonicContact OE2-NZ 2.66Å; E1706-K1709 PolarHBondContact OE2-NZ 2.73Å; E1706-I1710 WeakPolarHBondContact O-CG1 3.39Å; E1706-I1710 PolarHBondContact O-N 3.36Å |
| 1707 | A | 76.5 | Confident | 70.6 | Confident | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.6 | -34.3 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1703 P1704 I1710 L1711 L1728 Q1731 | L1703-A1707 HydrophobicContact CD2-CB 3.58Å; P1704-A1707 HydrophobicContact CB-CB 4.47Å; P1704-A1707 WeakPolarHBondContact O-CB 3.4Å; P1704-A1707 PolarHBondContact O-N 3.09Å; A1707-I1710 PolarHBondContact O-N 3.24Å; A1707-L1711 WeakPolarHBondContact O-CB 3.48Å; A1707-L1711 PolarHBondContact O-N 3.11Å; A1707-L1728 HydrophobicContact CB-CD1 3.76Å; A1707-Q1731 HydrophobicContact CB-CB 4.25Å |
| 1708 | W | 79.1 | Confident | 71.7 | Confident | 66 Ų | 66 | 72.2 Ų | 72.2 | 25% | 0.25 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -68.6 | -29.8 | 171 | -94 | 115.8 | 0 | 0 | 0 | 114 | A1700 L1703 P1704 P1705 E1706 R1712 | A1700-W1708 HydrophobicContact CB-CZ2 4.13Å; A1700-W1708 PolarHBondContact O-NE1 2.91Å; A1700-W1708 VanDerWaalsContact O-NE1 3.16Å; L1703-W1708 HydrophobicContact CB-CG 4.36Å; L1703-W1708 HydrophobicContact CD1-CZ2 4.34Å; P1704-W1708 PolarHBondContact O-N 3.21Å; P1704-W1708 VanDerWaalsContact O-N 3.11Å; P1705-W1708 WeakPolarHBondContact O-CB 3.28Å; P1705-W1708 PolarHBondContact O-N 2.86Å; E1706-W1708 VanDerWaalsContact C-N 3.26Å; E1706-W1708 PolarHBondContact O-N 3.49Å; W1708-R1712 WeakPolarHBondContact O-CB 3.46Å; W1708-R1712 WeakPolarHBondContact O-CG 3.49Å; W1708-R1712 PolarHBondContact O-N 3.15Å |
| 1709 | K | 80.2 | Confident | 72.8 | Confident | 122 Ų | 122 | 77.9 Ų | 77.9 | 53% | 0.53 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -68.4 | -44.2 | 170.7 | -66.8 | -179.7 | -161.5 | 161.3 | 0 | 111.1 | P1705 E1706 R1712 H1713 | P1705-K1709 PolarHBondContact O-N 3.3Å; E1706-K1709 WeakPolarHBondContact O-CB 3.42Å; E1706-K1709 PolarHBondContact O-N 2.88Å; E1706-K1709 VanDerWaalsContact OE1-CE 3.3Å; E1706-K1709 WeakPolarHBondContact OE1-CE 3.48Å; E1706-K1709 IonicContact OE1-NZ 2.73Å; E1706-K1709 PolarHBondContact OE1-NZ 3.42Å; E1706-K1709 WeakPolarHBondContact OE2-CD 3.45Å; E1706-K1709 WeakPolarHBondContact OE2-CE 3.32Å; E1706-K1709 IonicContact OE2-NZ 2.66Å; E1706-K1709 PolarHBondContact OE2-NZ 2.73Å; K1709-R1712 CarbonylContact O-C 3.5Å; K1709-R1712 WeakPolarHBondContact O-CA 3.35Å; K1709-R1712 PolarHBondContact O-N 3.02Å; K1709-R1712 VanDerWaalsContact O-N 3.07Å; K1709-H1713 PolarHBondContact O-N 3.01Å |
| 1710 | I | 79.6 | Confident | 73.9 | Confident | 17 Ų | 17 | 78.6 Ų | 78.6 | 9% | 0.087 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -67.8 | -41.5 | -177.9 | -57.9 | 158 | 0 | 0 | 0 | 110.8 | E1706 A1707 R1712 H1713 C1724 E1727 L1728 Q1731 | E1706-I1710 WeakPolarHBondContact O-CG1 3.39Å; E1706-I1710 PolarHBondContact O-N 3.36Å; A1707-I1710 PolarHBondContact O-N 3.24Å; I1710-R1712 PolarHBondContact O-N 2.94Å; I1710-R1712 VanDerWaalsContact O-N 3.17Å; I1710-H1713 WeakPolarHBondContact O-CB 3.47Å; I1710-H1713 PolarHBondContact O-N 2.93Å; I1710-C1724 HydrophobicContact CG2-CB 3.97Å; I1710-C1724 WeakPolarHBondContact CG2-O 3.41Å; I1710-E1727 HydrophobicContact CD1-CB 4.01Å; I1710-E1727 HydrophobicContact CD1-CG 3.63Å; I1710-E1727 HydrophobicContact CG1-CG 4.44Å; I1710-L1728 HydrophobicContact CB-CB 4.41Å; I1710-L1728 HydrophobicContact CG2-CB 3.81Å; I1710-Q1731 HydrophobicContact CD1-CG 3.67Å |
| 1711 | L | 72.8 | Confident | 74.6 | Confident | 17 Ų | 17 | 76.5 Ų | 76.5 | 9% | 0.089 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -17 | 171.2 | -81.7 | 167.4 | 0 | 0 | 0 | 114.3 | L1703 A1707 L1728 | L1703-L1711 HydrophobicContact CD1-CD1 3.76Å; L1703-L1711 HydrophobicContact CD2-CD1 4.13Å; A1707-L1711 WeakPolarHBondContact O-CB 3.48Å; A1707-L1711 PolarHBondContact O-N 3.11Å; L1711-L1728 HydrophobicContact CD1-CD1 4.27Å; L1711-L1728 HydrophobicContact CD2-CD2 3.69Å; L1711-L1728 HydrophobicContact CG-CD1 3.96Å; L1711-L1728 HydrophobicContact CG-CD2 3.86Å |
| 1712 | R | 76.7 | Confident | 74.8 | Confident | 170 Ų | 170 | 75.4 Ų | 75.4 | 64% | 0.642 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.7 | 2.7 | 175.8 | -71.7 | 179.5 | 170.2 | -179 | -2 | 113.2 | E1679 W1708 K1709 I1710 | E1679-R1712 IonicContact OE1-NE 3.76Å; E1679-R1712 IonicContact OE1-NH2 3.35Å; E1679-R1712 PolarHBondContact OE1-NH2 2.9Å; W1708-R1712 WeakPolarHBondContact O-CB 3.46Å; W1708-R1712 WeakPolarHBondContact O-CG 3.49Å; W1708-R1712 PolarHBondContact O-N 3.15Å; K1709-R1712 CarbonylContact O-C 3.5Å; K1709-R1712 WeakPolarHBondContact O-CA 3.35Å; K1709-R1712 PolarHBondContact O-N 3.02Å; K1709-R1712 VanDerWaalsContact O-N 3.07Å; I1710-R1712 PolarHBondContact O-N 2.94Å; I1710-R1712 VanDerWaalsContact O-N 3.17Å |
| 1713 | H | 79.3 | Confident | 75.4 | Confident | 95 Ų | 95 | 71.2 Ų | 71.2 | 44% | 0.44 | 36% | 0.361 | S | S | . | . | trans | -72.7 | 145.3 | 168 | -156.9 | 75.4 | 0 | 0 | 0 | 108.8 | K1709 I1710 P1715 C1724 | K1709-H1713 PolarHBondContact O-N 3.01Å; I1710-H1713 WeakPolarHBondContact O-CB 3.47Å; I1710-H1713 PolarHBondContact O-N 2.93Å; H1713-P1715 WeakPolarHBondContact O-CD 3.37Å; H1713-C1724 VanDerWaalsContact CD2-SG 3.58Å | ||
| 1714 | N | 78.4 | Confident | 76 | Confident | 117 Ų | 117 | 71.1 Ų | 71.1 | 63% | 0.626 | 36% | 0.361 | S | S | * | . | trans | -119.1 | 78.4 | -169.4 | -166.6 | -8.8 | 0 | 0 | 0 | 108.9 | F1672 S1716 | F1672-N1714 WeakPolarHBondContact CE1-OD1 3.25Å; F1672-N1714 VanDerWaalsContact CZ-OD1 3.23Å; F1672-N1714 WeakPolarHBondContact CZ-OD1 3.1Å; N1714-S1716 PolarHBondContact O-N 3.4Å | ||
| 1715 | P | 71.4 | Confident | 76.1 | Confident | 3 Ų | 3 | 73.1 Ų | 73.1 | 2% | 0.019 | 37% | 0.37 | C | S | . | . | trans | -65.8 | 125.4 | -167 | 25 | -34.2 | 0 | 0 | 0 | 112.1 | H1713 E1720 L1721 | H1713-P1715 WeakPolarHBondContact O-CD 3.37Å; P1715-E1720 HydrophobicContact CB-CB 4.02Å; P1715-E1720 HydrophobicContact CB-CG 4.01Å; P1715-L1721 HydrophobicContact CB-CB 3.91Å; P1715-L1721 VanDerWaalsContact CB-N 3.34Å; P1715-L1721 HydrophobicContact CG-CB 3.87Å; P1715-L1721 HydrophobicContact CG-CD1 3.96Å; P1715-L1721 HydrophobicContact CG-CG 4.5Å | ||
| 1716 | S | 76.5 | Confident | 75.9 | Confident | 95 Ų | 95 | 69.2 Ų | 69.2 | 66% | 0.664 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -85.5 | -18.9 | -178.2 | 68.9 | 0 | 0 | 0 | 0 | 113.6 | N1714 E1720 | N1714-S1716 PolarHBondContact O-N 3.4Å; S1716-E1720 WeakPolarHBondContact CA-OE2 3.23Å; S1716-E1720 WeakPolarHBondContact CB-OE2 3.34Å; S1716-E1720 PolarHBondContact N-OE2 3.26Å; S1716-E1720 PolarHBondContact OG-OE2 3.28Å |
| 1717 | T | 77.6 | Confident | 76 | Confident | 63 Ų | 63 | 70.2 Ų | 70.2 | 39% | 0.387 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -127.6 | 160.6 | 174.9 | 82.3 | 0 | 0 | 0 | 0 | 111.9 | E1719 E1720 L1721 | T1717-E1719 PolarHBondContact O-N 3.1Å; T1717-E1719 PolarHBondContact OG1-N 3.14Å; T1717-E1720 PolarHBondContact O-N 2.96Å; T1717-E1720 WeakPolarHBondContact OG1-CB 3.3Å; T1717-E1720 PolarHBondContact OG1-N 2.89Å; T1717-L1721 PolarHBondContact O-N 3.07Å |
| 1718 | Q | 70.5 | Confident | 76 | Confident | 117 Ų | 117 | 71.3 Ų | 71.3 | 55% | 0.547 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.7 | -22.9 | 176.2 | -166.1 | 170.8 | 2.7 | 0 | 0 | 112.6 | L1722 | Q1718-L1722 PolarHBondContact O-N 3.47Å; Q1718-L1722 VanDerWaalsContact O-N 3.12Å |
| 1719 | E | 73.4 | Confident | 75.6 | Confident | 160 Ų | 160 | 70 Ų | 70 | 75% | 0.748 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -76.8 | -41.6 | 173.2 | -63.2 | 171.2 | 132 | 0 | 0 | 111.1 | T1717 L1721 L1722 S1723 | T1717-E1719 PolarHBondContact O-N 3.1Å; T1717-E1719 PolarHBondContact OG1-N 3.14Å; E1719-L1721 VanDerWaalsContact C-N 3.33Å; E1719-L1721 PolarHBondContact O-N 3.04Å; E1719-L1722 WeakPolarHBondContact O-CB 3.48Å; E1719-L1722 PolarHBondContact O-N 3.36Å; E1719-L1722 VanDerWaalsContact O-N 3.17Å; E1719-S1723 PolarHBondContact O-N 2.99Å |
| 1720 | E | 78 | Confident | 75.1 | Confident | 66 Ų | 66 | 67.4 Ų | 67.4 | 31% | 0.308 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.7 | -37.7 | 174.8 | -165.6 | 166.6 | -119.3 | 0 | 0 | 111.2 | P1715 S1716 T1717 S1723 C1724 | P1715-E1720 HydrophobicContact CB-CB 4.02Å; P1715-E1720 HydrophobicContact CB-CG 4.01Å; S1716-E1720 WeakPolarHBondContact CA-OE2 3.23Å; S1716-E1720 WeakPolarHBondContact CB-OE2 3.34Å; S1716-E1720 PolarHBondContact N-OE2 3.26Å; S1716-E1720 PolarHBondContact OG-OE2 3.28Å; T1717-E1720 PolarHBondContact O-N 2.96Å; T1717-E1720 WeakPolarHBondContact OG1-CB 3.3Å; T1717-E1720 PolarHBondContact OG1-N 2.89Å; E1720-S1723 PolarHBondContact O-N 3.07Å; E1720-C1724 PolarHBondContact O-N 3.36Å; E1720-C1724 PolarHBondContact O-SG 2.8Å |
| 1721 | L | 76.6 | Confident | 74.9 | Confident | 7 Ų | 7 | 69.3 Ų | 69.3 | 4% | 0.037 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62 | -45.5 | 169.6 | 171.6 | 58.1 | 0 | 0 | 0 | 111.8 | L1668 H1671 P1715 T1717 E1719 S1723 C1724 L1725 | L1668-L1721 HydrophobicContact CD1-CB 4.46Å; L1668-L1721 HydrophobicContact CD1-CD2 3.87Å; H1671-L1721 HydrophobicContact CB-CD1 4.16Å; H1671-L1721 HydrophobicContact CB-CD2 4.09Å; H1671-L1721 WeakPolarHBondContact CD2-CD1 3.25Å; H1671-L1721 VanDerWaalsContact CG-CD1 3.42Å; H1671-L1721 WeakPolarHBondContact NE2-CD1 3.44Å; P1715-L1721 HydrophobicContact CB-CB 3.91Å; P1715-L1721 VanDerWaalsContact CB-N 3.34Å; P1715-L1721 HydrophobicContact CG-CB 3.87Å; P1715-L1721 HydrophobicContact CG-CD1 3.96Å; P1715-L1721 HydrophobicContact CG-CG 4.5Å; T1717-L1721 PolarHBondContact O-N 3.07Å; E1719-L1721 VanDerWaalsContact C-N 3.33Å; E1719-L1721 PolarHBondContact O-N 3.04Å; L1721-S1723 VanDerWaalsContact C-N 3.33Å; L1721-S1723 PolarHBondContact O-N 2.76Å; L1721-C1724 PolarHBondContact O-N 2.84Å; L1721-L1725 HydrophobicContact CD1-CD1 3.78Å; L1721-L1725 HydrophobicContact CD1-CG 3.96Å; L1721-L1725 HydrophobicContact CG-CD1 4.02Å; L1721-L1725 WeakPolarHBondContact O-CB 3.39Å; L1721-L1725 WeakPolarHBondContact O-CG 3.31Å; L1721-L1725 PolarHBondContact O-N 3.33Å |
| 1722 | L | 70.8 | Confident | 74.5 | Confident | 99 Ų | 99 | 70 Ų | 70 | 52% | 0.518 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.3 | -48 | 174.9 | -113.9 | 73.8 | 0 | 0 | 0 | 110.7 | Q1718 E1719 C1724 L1725 V1726 | Q1718-L1722 PolarHBondContact O-N 3.47Å; Q1718-L1722 VanDerWaalsContact O-N 3.12Å; E1719-L1722 WeakPolarHBondContact O-CB 3.48Å; E1719-L1722 PolarHBondContact O-N 3.36Å; E1719-L1722 VanDerWaalsContact O-N 3.17Å; L1722-C1724 PolarHBondContact O-N 2.96Å; L1722-L1725 PolarHBondContact O-N 2.96Å; L1722-V1726 WeakPolarHBondContact O-CB 3.36Å; L1722-V1726 VanDerWaalsContact O-CG2 3.27Å; L1722-V1726 WeakPolarHBondContact O-CG2 3.28Å; L1722-V1726 PolarHBondContact O-N 3.47Å |
| 1723 | S | 76.3 | Confident | 73.8 | Confident | 50 Ų | 50 | 63.5 Ų | 63.5 | 35% | 0.35 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -56.2 | -49 | 178.2 | -169 | 0 | 0 | 0 | 0 | 111.9 | E1719 E1720 L1721 L1725 V1726 E1727 | E1719-S1723 PolarHBondContact O-N 2.99Å; E1720-S1723 PolarHBondContact O-N 3.07Å; L1721-S1723 VanDerWaalsContact C-N 3.33Å; L1721-S1723 PolarHBondContact O-N 2.76Å; S1723-L1725 PolarHBondContact O-N 2.96Å; S1723-V1726 WeakPolarHBondContact O-CB 3.48Å; S1723-V1726 PolarHBondContact O-N 3.38Å; S1723-V1726 VanDerWaalsContact O-N 3.11Å; S1723-E1727 PolarHBondContact O-N 3.06Å |
| 1724 | C | 78.1 | Confident | 73.2 | Confident | 14 Ų | 14 | 63 Ų | 63 | 10% | 0.095 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.1 | -43.4 | 176.5 | -65 | 0 | 0 | 0 | 0 | 112.4 | I1710 H1713 E1720 L1721 L1722 V1726 E1727 L1728 | I1710-C1724 HydrophobicContact CG2-CB 3.97Å; I1710-C1724 WeakPolarHBondContact CG2-O 3.41Å; H1713-C1724 VanDerWaalsContact CD2-SG 3.58Å; E1720-C1724 PolarHBondContact O-N 3.36Å; E1720-C1724 PolarHBondContact O-SG 2.8Å; L1721-C1724 PolarHBondContact O-N 2.84Å; L1722-C1724 PolarHBondContact O-N 2.96Å; C1724-V1726 VanDerWaalsContact C-N 3.3Å; C1724-V1726 PolarHBondContact O-N 2.89Å; C1724-E1727 PolarHBondContact O-N 2.74Å; C1724-L1728 WeakPolarHBondContact O-CB 3.31Å; C1724-L1728 PolarHBondContact O-N 3.04Å |
| 1725 | L | 73.6 | Confident | 72.4 | Confident | 77 Ų | 77 | 58.5 Ų | 58.5 | 40% | 0.403 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.3 | -30 | 176.6 | -71.9 | 172.1 | 0 | 0 | 0 | 112.7 | L1721 L1722 S1723 R1729 | L1721-L1725 HydrophobicContact CD1-CD1 3.78Å; L1721-L1725 HydrophobicContact CD1-CG 3.96Å; L1721-L1725 HydrophobicContact CG-CD1 4.02Å; L1721-L1725 WeakPolarHBondContact O-CB 3.39Å; L1721-L1725 WeakPolarHBondContact O-CG 3.31Å; L1721-L1725 PolarHBondContact O-N 3.33Å; L1722-L1725 PolarHBondContact O-N 2.96Å; S1723-L1725 PolarHBondContact O-N 2.96Å; L1725-R1729 WeakPolarHBondContact O-CB 2.75Å; L1725-R1729 PolarHBondContact O-N 2.71Å |
| 1726 | V | 70.6 | Confident | 71.7 | Confident | 18 Ų | 18 | 61.6 Ų | 61.6 | 11% | 0.109 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -71.1 | -48.7 | 174.3 | 169.2 | 0 | 0 | 0 | 0 | 111.1 | L1591 L1722 S1723 C1724 R1729 D1730 | L1591-V1726 HydrophobicContact CB-CB 4.48Å; L1591-V1726 HydrophobicContact CB-CG1 4.11Å; L1591-V1726 HydrophobicContact CB-CG2 3.54Å; L1591-V1726 HydrophobicContact CD1-CG2 4.15Å; L1591-V1726 HydrophobicContact CG-CG2 4.33Å; L1591-V1726 WeakPolarHBondContact O-CG1 3.48Å; L1722-V1726 WeakPolarHBondContact O-CB 3.36Å; L1722-V1726 VanDerWaalsContact O-CG2 3.27Å; L1722-V1726 WeakPolarHBondContact O-CG2 3.28Å; L1722-V1726 PolarHBondContact O-N 3.47Å; S1723-V1726 WeakPolarHBondContact O-CB 3.48Å; S1723-V1726 PolarHBondContact O-N 3.38Å; S1723-V1726 VanDerWaalsContact O-N 3.11Å; C1724-V1726 VanDerWaalsContact C-N 3.3Å; C1724-V1726 PolarHBondContact O-N 2.89Å; V1726-R1729 PolarHBondContact O-N 3.18Å; V1726-D1730 PolarHBondContact O-N 2.87Å |
| 1727 | E | 79.5 | Confident | 70.6 | Confident | 102 Ų | 102 | 65.1 Ų | 65.1 | 48% | 0.477 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.4 | -44.2 | -179.4 | -162.5 | -175.5 | -164 | 0 | 0 | 111.7 | I1710 S1723 C1724 R1729 D1730 Q1731 | I1710-E1727 HydrophobicContact CD1-CB 4.01Å; I1710-E1727 HydrophobicContact CD1-CG 3.63Å; I1710-E1727 HydrophobicContact CG1-CG 4.44Å; S1723-E1727 PolarHBondContact O-N 3.06Å; C1724-E1727 PolarHBondContact O-N 2.74Å; E1727-R1729 VanDerWaalsContact C-N 3.26Å; E1727-R1729 PolarHBondContact O-N 3.42Å; E1727-D1730 PolarHBondContact O-N 2.63Å; E1727-D1730 VanDerWaalsContact O-N 3.12Å; E1727-Q1731 WeakPolarHBondContact O-CG 3.3Å; E1727-Q1731 PolarHBondContact O-N 3.09Å |
| 1728 | L | 76.8 | Confident | 69.4 | Low | 22 Ų | 22 | 67.4 Ų | 67.4 | 12% | 0.115 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -56.5 | -42.7 | 176.2 | 178.8 | 61.6 | 0 | 0 | 0 | 111.4 | A1707 I1710 L1711 C1724 Q1731 L1732 | A1707-L1728 HydrophobicContact CB-CD1 3.76Å; I1710-L1728 HydrophobicContact CB-CB 4.41Å; I1710-L1728 HydrophobicContact CG2-CB 3.81Å; L1711-L1728 HydrophobicContact CD1-CD1 4.27Å; L1711-L1728 HydrophobicContact CD2-CD2 3.69Å; L1711-L1728 HydrophobicContact CG-CD1 3.96Å; L1711-L1728 HydrophobicContact CG-CD2 3.86Å; C1724-L1728 WeakPolarHBondContact O-CB 3.31Å; C1724-L1728 PolarHBondContact O-N 3.04Å; L1728-Q1731 PolarHBondContact O-N 3.22Å; L1728-L1732 HydrophobicContact CD1-CD1 4.32Å; L1728-L1732 HydrophobicContact CD1-CG 4.48Å; L1728-L1732 HydrophobicContact CG-CD1 4.12Å; L1728-L1732 WeakPolarHBondContact O-CB 3.42Å; L1728-L1732 VanDerWaalsContact O-CG 3.24Å; L1728-L1732 WeakPolarHBondContact O-CG 3.45Å; L1728-L1732 PolarHBondContact O-N 3.45Å |
| 1729 | R | 70.1 | Confident | 68.5 | Low | 40 Ų | 40 | 66 Ų | 66 | 15% | 0.151 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65 | -39.3 | 178.7 | -175.6 | -148.4 | 65.5 | -117.4 | 0.5 | 111.8 | Y1589 L1591 L1725 V1726 E1727 L1732 D1733 | Y1589-R1729 WeakPolarHBondContact O-CD 3.43Å; L1591-R1729 PolarHBondContact O-NH2 2.62Å; L1725-R1729 WeakPolarHBondContact O-CB 2.75Å; L1725-R1729 PolarHBondContact O-N 2.71Å; V1726-R1729 PolarHBondContact O-N 3.18Å; E1727-R1729 VanDerWaalsContact C-N 3.26Å; E1727-R1729 PolarHBondContact O-N 3.42Å; R1729-L1732 PolarHBondContact O-N 3.4Å; R1729-D1733 PolarHBondContact O-N 2.92Å |
| 1730 | D | 71.4 | Confident | 66.6 | Low | 67 Ų | 67 | 61.6 Ų | 61.6 | 36% | 0.358 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -76.2 | -31.2 | 178.9 | -75.7 | -11 | 0 | 0 | 0 | 112.9 | V1726 E1727 L1732 N1734 | V1726-D1730 PolarHBondContact O-N 2.87Å; E1727-D1730 PolarHBondContact O-N 2.63Å; E1727-D1730 VanDerWaalsContact O-N 3.12Å; D1730-L1732 VanDerWaalsContact C-N 3.31Å; D1730-N1734 VanDerWaalsContact O-CB 3.27Å; D1730-N1734 WeakPolarHBondContact O-CB 3.46Å; D1730-N1734 VanDerWaalsContact O-CG 3.31Å; D1730-N1734 PolarHBondContact O-N 3.36Å; D1730-N1734 PolarHBondContact O-ND2 3.17Å; D1730-N1734 VanDerWaalsContact O-ND2 3.17Å |
| 1731 | Q | 73.9 | Confident | 64.7 | Low | 56 Ų | 56 | 67.1 Ų | 67.1 | 26% | 0.262 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61 | -41 | 166.1 | -66.8 | -64.3 | -10.3 | 0 | 0 | 111.5 | A1707 I1710 E1727 L1728 A1735 | A1707-Q1731 HydrophobicContact CB-CB 4.25Å; I1710-Q1731 HydrophobicContact CD1-CG 3.67Å; E1727-Q1731 WeakPolarHBondContact O-CG 3.3Å; E1727-Q1731 PolarHBondContact O-N 3.09Å; L1728-Q1731 PolarHBondContact O-N 3.22Å; Q1731-A1735 WeakPolarHBondContact O-CB 3.48Å; Q1731-A1735 PolarHBondContact O-N 3.23Å |
| 1732 | L | 65.8 | Low | 62.6 | Low | 33 Ų | 33 | 74.1 Ų | 74.1 | 17% | 0.173 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -69.4 | -43.4 | 177.1 | -72.9 | 172.4 | 0 | 0 | 0 | 113.2 | I1698 L1703 L1728 R1729 D1730 N1734 A1735 I1736 | I1698-L1732 HydrophobicContact CD1-CD2 3.75Å; L1703-L1732 HydrophobicContact CD2-CD2 3.71Å; L1728-L1732 HydrophobicContact CD1-CD1 4.32Å; L1728-L1732 HydrophobicContact CD1-CG 4.48Å; L1728-L1732 HydrophobicContact CG-CD1 4.12Å; L1728-L1732 WeakPolarHBondContact O-CB 3.42Å; L1728-L1732 VanDerWaalsContact O-CG 3.24Å; L1728-L1732 WeakPolarHBondContact O-CG 3.45Å; L1728-L1732 PolarHBondContact O-N 3.45Å; R1729-L1732 PolarHBondContact O-N 3.4Å; D1730-L1732 VanDerWaalsContact C-N 3.31Å; L1732-N1734 VanDerWaalsContact C-N 3.32Å; L1732-N1734 PolarHBondContact O-N 2.97Å; L1732-A1735 WeakPolarHBondContact O-CB 3.31Å; L1732-A1735 PolarHBondContact O-N 3.22Å; L1732-I1736 VanDerWaalsContact O-CG1 3.3Å; L1732-I1736 WeakPolarHBondContact O-CG1 3.3Å; L1732-I1736 PolarHBondContact O-N 3.06Å |
| 1733 | D | 62.1 | Low | 60.9 | Low | 33 Ų | 33 | 75.5 Ų | 75.5 | 18% | 0.176 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -69.9 | -31.3 | 178.3 | -160.1 | 67.7 | 0 | 0 | 0 | 111.3 | R1729 R1737 | R1729-D1733 PolarHBondContact O-N 2.92Å; D1733-R1737 VanDerWaalsContact O-CD 3.3Å; D1733-R1737 WeakPolarHBondContact O-CD 3.39Å; D1733-R1737 WeakPolarHBondContact O-CG 3.26Å; D1733-R1737 PolarHBondContact O-N 3.43Å; D1733-R1737 VanDerWaalsContact O-N 3.09Å; D1733-R1737 IonicContact OD2-CZ 2.69Å; D1733-R1737 IonicContact OD2-NE 3.69Å; D1733-R1737 PolarHBondContact OD2-NE 2.72Å; D1733-R1737 IonicContact OD2-NH2 3.67Å; D1733-R1737 PolarHBondContact OD2-NH2 2.89Å |
| 1734 | N | 65.2 | Low | 58.8 | Low | 85 Ų | 85 | 84.9 Ų | 84.9 | 46% | 0.455 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.1 | -46 | 167.1 | -79.2 | -32.9 | 0 | 0 | 0 | 112.2 | D1730 L1732 I1736 R1737 C1738 | D1730-N1734 VanDerWaalsContact O-CB 3.27Å; D1730-N1734 WeakPolarHBondContact O-CB 3.46Å; D1730-N1734 VanDerWaalsContact O-CG 3.31Å; D1730-N1734 PolarHBondContact O-N 3.36Å; D1730-N1734 PolarHBondContact O-ND2 3.17Å; D1730-N1734 VanDerWaalsContact O-ND2 3.17Å; L1732-N1734 VanDerWaalsContact C-N 3.32Å; L1732-N1734 PolarHBondContact O-N 2.97Å; N1734-I1736 VanDerWaalsContact C-N 3.33Å; N1734-I1736 PolarHBondContact O-N 3.06Å; N1734-R1737 PolarHBondContact O-N 2.67Å; N1734-R1737 VanDerWaalsContact O-N 3.12Å; N1734-C1738 PolarHBondContact O-N 3.14Å; N1734-C1738 PolarHBondContact O-SG 2.98Å; N1734-C1738 VanDerWaalsContact O-SG 3.4Å |
| 1735 | A | 62.7 | Low | 56.6 | Low | 21 Ų | 21 | 90 Ų | 90 | 17% | 0.174 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -57 | -46.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | P1704 Q1731 L1732 R1737 C1738 T1739 | P1704-A1735 HydrophobicContact CG-CB 3.84Å; Q1731-A1735 WeakPolarHBondContact O-CB 3.48Å; Q1731-A1735 PolarHBondContact O-N 3.23Å; L1732-A1735 WeakPolarHBondContact O-CB 3.31Å; L1732-A1735 PolarHBondContact O-N 3.22Å; A1735-R1737 VanDerWaalsContact C-N 3.3Å; A1735-R1737 PolarHBondContact O-N 3.33Å; A1735-C1738 PolarHBondContact O-N 3.28Å; A1735-T1739 PolarHBondContact O-N 2.69Å; A1735-T1739 PolarHBondContact O-OG1 2.69Å |
| 1736 | I | 56 | Low | 54.5 | Low | 69 Ų | 69 | 94.5 Ų | 94.5 | 35% | 0.354 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.3 | -37.3 | 176.8 | -69.3 | 165.9 | 0 | 0 | 0 | 111.9 | V1696 I1698 L1732 N1734 | V1696-I1736 HydrophobicContact CB-CD1 4.49Å; V1696-I1736 HydrophobicContact CG2-CD1 4.23Å; V1696-I1736 HydrophobicContact CG2-CG1 4.37Å; I1698-I1736 HydrophobicContact CD1-CD1 4.28Å; I1698-I1736 HydrophobicContact CD1-CG1 4.28Å; L1732-I1736 VanDerWaalsContact O-CG1 3.3Å; L1732-I1736 WeakPolarHBondContact O-CG1 3.3Å; L1732-I1736 PolarHBondContact O-N 3.06Å; N1734-I1736 VanDerWaalsContact C-N 3.33Å; N1734-I1736 PolarHBondContact O-N 3.06Å |
| 1737 | R | 52.6 | Low | 52.6 | Low | 168 Ų | 168 | 100.4 Ų | 100.4 | 63% | 0.634 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -71.3 | -38.1 | 175.7 | -70.4 | 163.5 | -170 | -139.1 | 12.1 | 112.7 | D1733 N1734 A1735 | D1733-R1737 VanDerWaalsContact O-CD 3.3Å; D1733-R1737 WeakPolarHBondContact O-CD 3.39Å; D1733-R1737 WeakPolarHBondContact O-CG 3.26Å; D1733-R1737 PolarHBondContact O-N 3.43Å; D1733-R1737 VanDerWaalsContact O-N 3.09Å; D1733-R1737 IonicContact OD2-CZ 2.69Å; D1733-R1737 IonicContact OD2-NE 3.69Å; D1733-R1737 PolarHBondContact OD2-NE 2.72Å; D1733-R1737 IonicContact OD2-NH2 3.67Å; D1733-R1737 PolarHBondContact OD2-NH2 2.89Å; N1734-R1737 PolarHBondContact O-N 2.67Å; N1734-R1737 VanDerWaalsContact O-N 3.12Å; A1735-R1737 VanDerWaalsContact C-N 3.3Å; A1735-R1737 PolarHBondContact O-N 3.33Å |
| 1738 | C | 54.2 | Low | 50.2 | Low | 111 Ų | 111 | 107 Ų | 107 | 75% | 0.75 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -75.5 | -35.2 | -178.9 | -70.5 | 0 | 0 | 0 | 0 | 113.1 | N1734 A1735 G1740 | N1734-C1738 PolarHBondContact O-N 3.14Å; N1734-C1738 PolarHBondContact O-SG 2.98Å; N1734-C1738 VanDerWaalsContact O-SG 3.4Å; A1735-C1738 PolarHBondContact O-N 3.28Å; C1738-G1740 PolarHBondContact O-N 3.4Å |
| 1739 | T | 49.9 | Very low | 48 | Very low | 88 Ų | 88 | 114 Ų | 114 | 54% | 0.54 | 56% | 0.559 | S | S | . | * | trans | -81.1 | 47 | 179 | 61.2 | 0 | 0 | 0 | 0 | 113.3 | A1735 H1741 | A1735-T1739 PolarHBondContact O-N 2.69Å; A1735-T1739 PolarHBondContact O-OG1 2.69Å; T1739-H1741 PolarHBondContact O-N 2.98Å | ||
| 1740 | G | 35.3 | Very low | 46.2 | Very low | 68 Ų | 68 | 116 Ų | 116 | 70% | 0.701 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | 24.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | C1738 | C1738-G1740 PolarHBondContact O-N 3.4Š|
| 1741 | H | 36.6 | Very low | 44.4 | Very low | 182 Ų | 182 | 118.9 Ų | 118.9 | 84% | 0.843 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139 | 5.1 | -173.1 | -127.3 | -68.5 | 0 | 0 | 0 | 115.7 | T1739 | T1739-H1741 PolarHBondContact O-N 2.98Š|
| 1742 | L | 34.1 | Very low | 42.4 | Very low | 154 Ų | 154 | 123.5 Ų | 123.5 | 81% | 0.806 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -118.3 | 36.8 | -168.7 | -86.1 | 173.1 | 0 | 0 | 0 | 116.6 | ||
| 1743 | D | 34.8 | Very low | 40.9 | Very low | 128 Ų | 128 | 126.8 Ų | 126.8 | 68% | 0.684 | 66% | 0.657 | S | S | * | * | trans | -151.1 | 105 | 142.8 | -155.5 | -6.4 | 0 | 0 | 0 | 113.3 | ||||
| 1744 | R | 31.3 | Very low | 39.1 | Very low | 247 Ų | 247 | 131.8 Ų | 131.8 | 93% | 0.932 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -149.6 | 8.7 | 170.8 | -109 | -173.6 | -175.4 | -166.4 | 2.4 | 113.9 | ||
| 1745 | T | 31.9 | Very low | 37.3 | Very low | 121 Ų | 121 | 136.5 Ų | 136.5 | 74% | 0.742 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -141.3 | -12.4 | -162.8 | 36 | 0 | 0 | 0 | 0 | 115.8 | ||
| 1746 | Y | 30.1 | Very low | 35.6 | Very low | 172 Ų | 172 | 148.8 Ų | 148.8 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -95.1 | 161.1 | 175.9 | -93.7 | -100.4 | 0 | 0 | 0 | 113.1 | R1748 | Y1746-R1748 VanDerWaalsContact C-N 3.31Å; Y1746-R1748 PolarHBondContact O-N 3.2Å |
| 1747 | N | 30.8 | Very low | 34.6 | Very low | 141 Ų | 141 | 152.8 Ų | 152.8 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | trans | 62.6 | 23 | -177 | -60.4 | -27.4 | 0 | 0 | 0 | 116.9 | Y1749 | N1747-Y1749 PolarHBondContact O-N 2.65Š| ||
| 1748 | R | 29.2 | Very low | 33.6 | Very low | 240 Ų | 240 | 152 Ų | 152 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | trans | -86.5 | 63.9 | 143.4 | -89 | -165.5 | 177.5 | -174.7 | 2.1 | 110.5 | Y1746 | Y1746-R1748 VanDerWaalsContact C-N 3.31Å; Y1746-R1748 PolarHBondContact O-N 3.2Å | ||
| 1749 | Y | 30.4 | Very low | 32.5 | Very low | 171 Ų | 171 | 154.3 Ų | 154.3 | 67% | 0.671 | 79% | 0.793 | S | S | * | * | trans | -114.6 | 99.6 | 165.9 | -80.6 | -83.2 | 0 | 0 | 0 | 109.5 | N1747 | N1747-Y1749 PolarHBondContact O-N 2.65Š| ||
| 1750 | A | 31.9 | Very low | 31.4 | Very low | 80 Ų | 80 | 158.2 Ų | 158.2 | 66% | 0.661 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 154 | 151.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | L1752 | A1750-L1752 PolarHBondContact O-N 2.82Š|
| 1751 | P | 33.8 | Very low | 31.2 | Very low | 129 Ų | 129 | 163.8 Ų | 163.8 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -58 | 128.7 | 173.5 | 24.9 | -33.7 | 0 | 0 | 0 | 109.5 | ||
| 1752 | L | 31.3 | Very low | 30.8 | Very low | 152 Ų | 152 | 162.6 Ų | 162.6 | 80% | 0.796 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 152.3 | 164.3 | -81.5 | 159 | 0 | 0 | 0 | 109.1 | A1750 | A1750-L1752 PolarHBondContact O-N 2.82Š|
| 1753 | S | 34 | Very low | 30.6 | Very low | 102 Ų | 102 | 163.2 Ų | 163.2 | 71% | 0.713 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 157.1 | 167.7 | 44.7 | 0 | 0 | 0 | 0 | 110.6 | E1755 | S1753-E1755 PolarHBondContact O-N 3.44Š|
| 1754 | T | 25.6 | Very low | 30.3 | Very low | 139 Ų | 139 | 165.9 Ų | 165.9 | 85% | 0.853 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -50.8 | 101 | 169.2 | 47.1 | 0 | 0 | 0 | 0 | 112.8 | ||
| 1755 | E | 27.7 | Very low | 30.2 | Very low | 184 Ų | 184 | 159.2 Ų | 159.2 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | -165.2 | 120.4 | 143.8 | -108.5 | 165.7 | -164.2 | 0 | 0 | 106.5 | S1753 | S1753-E1755 PolarHBondContact O-N 3.44Š| ||
| 1756 | E | 25.9 | Very low | 30.1 | Very low | 279 Ų | 279 | 162.6 Ų | 162.6 | 100% | 1.304 | 82% | 0.821 | S | S | * | * | trans | 67.7 | 0 | -166 | -54.2 | -167.9 | 152.9 | 0 | 0 | 116.6 |
Retrieved 1,756 of 1,756 residues in 734.1 ms
(Link to these results)