| 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 | 34 | Very low | 31.7 | Very low | 252 Ų | 252 | 129.7 Ų | 129.7 | 100% | 1.241 | 73% | 0.725 | S | S | * | * | 0 | 87.5 | 0 | -75.6 | -179.9 | -175.2 | 0 | 0 | 107.8 | |||||
| 2 | A | 31.8 | Very low | 31.9 | Very low | 91 Ų | 91 | 128.8 Ų | 128.8 | 75% | 0.752 | 72% | 0.715 | S | S | * | * | trans | 160.1 | 97.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 3 | D | 27.2 | Very low | 31.9 | Very low | 168 Ų | 168 | 132.8 Ų | 132.8 | 90% | 0.898 | 72% | 0.72 | S | S | * | * | trans | 168.7 | 66.8 | 155.5 | -93.2 | -12.7 | 0 | 0 | 0 | 109.8 | ||||
| 4 | N | 28.6 | Very low | 32.3 | Very low | 146 Ų | 146 | 129.4 Ų | 129.4 | 78% | 0.781 | 71% | 0.712 | S | S | * | * | trans | -149.3 | 18.7 | 166.2 | -133.4 | 16.7 | 0 | 0 | 0 | 114.7 | ||||
| 5 | A | 29.1 | Very low | 32.5 | Very low | 86 Ų | 86 | 128.3 Ų | 128.3 | 71% | 0.711 | 70% | 0.697 | S | S | * | * | trans | -96.2 | 8 | -178 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 6 | G | 27.9 | Very low | 33.1 | Very low | 61 Ų | 61 | 123.8 Ų | 123.8 | 63% | 0.629 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -90 | -14 | -172.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 7 | L | 33.7 | Very low | 33.3 | Very low | 139 Ų | 139 | 124.2 Ų | 124.2 | 73% | 0.728 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -102.2 | -13.3 | -169.3 | -73.3 | 162.3 | 0 | 0 | 0 | 114.4 | N9 | L7-N9 VanDerWaalsContact C-N 3.29Å; L7-N9 PolarHBondContact O-N 2.97Å |
| 8 | E | 31.9 | Very low | 33.2 | Very low | 176 Ų | 176 | 129.1 Ų | 129.1 | 82% | 0.822 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | 2 | -173.9 | -144.6 | 167.5 | -168.7 | 0 | 0 | 113.8 | ||
| 9 | N | 31.1 | Very low | 33.1 | Very low | 82 Ų | 82 | 125.4 Ų | 125.4 | 44% | 0.439 | 68% | 0.68 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -116.4 | 3.4 | -166.6 | -110.5 | -36.3 | 0 | 0 | 0 | 115.6 | L7 R11 I12 K13 | L7-N9 VanDerWaalsContact C-N 3.29Å; L7-N9 PolarHBondContact O-N 2.97Å; N9-R11 VanDerWaalsContact C-N 3.3Å; N9-R11 PolarHBondContact O-N 3.24Å; N9-I12 PolarHBondContact O-N 3.08Å; N9-I12 VanDerWaalsContact OD1-CD1 3.31Å; N9-I12 WeakPolarHBondContact OD1-CD1 3.37Å; N9-K13 PolarHBondContact O-N 3.09Å |
| 10 | H | 34 | Very low | 33.5 | Very low | 136 Ų | 136 | 122.8 Ų | 122.8 | 63% | 0.63 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -67.6 | -33.5 | 177.9 | -89 | -74.5 | 0 | 0 | 0 | 112.3 | I12 K13 S14 | H10-I12 PolarHBondContact O-N 2.89Å; H10-K13 PolarHBondContact O-N 2.66Å; H10-S14 PolarHBondContact O-N 2.97Å; H10-S14 VanDerWaalsContact O-N 3.11Å; H10-S14 PolarHBondContact O-OG 3.03Å |
| 11 | R | 39.5 | Very low | 33.9 | Very low | 90 Ų | 90 | 121 Ų | 121 | 34% | 0.34 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -70.1 | -32.1 | 176.6 | -147.9 | -172.3 | -179 | 112.2 | -1 | 112.9 | N9 F15 G316 D318 | N9-R11 VanDerWaalsContact C-N 3.3Å; N9-R11 PolarHBondContact O-N 3.24Å; R11-F15 HydrophobicContact CG-CD2 4.33Å; R11-F15 WeakPolarHBondContact O-CB 3.27Å; R11-F15 PolarHBondContact O-N 3.16Å; R11-G316 PolarHBondContact NH2-O 2.87Å; R11-D318 IonicContact CZ-OD1 2.91Å; R11-D318 IonicContact NH1-OD1 2.78Å; R11-D318 PolarHBondContact NH1-OD1 3.03Å; R11-D318 IonicContact NH2-OD1 2.81Å |
| 12 | I | 33.7 | Very low | 33.7 | Very low | 118 Ų | 118 | 114.2 Ų | 114.2 | 61% | 0.605 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -76.5 | -25.9 | 179.7 | -69.9 | 169.1 | 0 | 0 | 0 | 112.3 | N9 H10 | N9-I12 PolarHBondContact O-N 3.08Å; N9-I12 VanDerWaalsContact OD1-CD1 3.31Å; N9-I12 WeakPolarHBondContact OD1-CD1 3.37Å; H10-I12 PolarHBondContact O-N 2.89Å |
| 13 | K | 31.8 | Very low | 34.1 | Very low | 181 Ų | 181 | 114.5 Ų | 114.5 | 79% | 0.787 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -85 | -31.6 | 173.3 | -76.3 | -176.7 | 177.8 | 178.7 | 0 | 113 | N9 H10 | N9-K13 PolarHBondContact O-N 3.09Å; H10-K13 PolarHBondContact O-N 2.66Å |
| 14 | S | 38.1 | Very low | 34.8 | Very low | 86 Ų | 86 | 109.9 Ų | 109.9 | 60% | 0.601 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -81.1 | -24.2 | 172 | -63 | 0 | 0 | 0 | 0 | 112.7 | H10 K16 | H10-S14 PolarHBondContact O-N 2.97Å; H10-S14 VanDerWaalsContact O-N 3.11Å; H10-S14 PolarHBondContact O-OG 3.03Å; S14-K16 PolarHBondContact O-N 2.99Å |
| 15 | F | 35.8 | Very low | 34.9 | Very low | 112 Ų | 112 | 108.9 Ų | 108.9 | 49% | 0.491 | 58% | 0.579 | S | S | . | * | S | Bend | trans | -79 | 97.9 | 161.6 | -99.9 | -113 | 0 | 0 | 0 | 110.1 | R11 | R11-F15 HydrophobicContact CG-CD2 4.33Å; R11-F15 WeakPolarHBondContact O-CB 3.27Å; R11-F15 PolarHBondContact O-N 3.16Å |
| 16 | K | 41.2 | Very low | 35.1 | Very low | 57 Ų | 57 | 112.4 Ų | 112.4 | 25% | 0.248 | 57% | 0.574 | C | S | . | * | trans | 78.1 | 101.1 | 147.2 | -59.5 | 166.9 | 174.9 | 169.4 | 0 | 115.1 | S14 K18 R20 D21 | S14-K16 PolarHBondContact O-N 2.99Å; K16-K18 PolarHBondContact O-N 2.92Å; K16-R20 HydrophobicContact CG-CB 4.21Å; K16-D21 HydrophobicContact CD-CB 3.81Å; K16-D21 IonicContact NZ-OD1 3.57Å; K16-D21 PolarHBondContact NZ-OD1 2.78Å | ||
| 17 | N | 36.6 | Very low | 36 | Very low | 131 Ų | 131 | 111.8 Ų | 111.8 | 70% | 0.701 | 55% | 0.553 | S | S | * | * | -25.8 | 108.6 | 118.5 | -72 | -25.1 | 0 | 0 | 0 | 109.7 | G19 R20 | N17-G19 PolarHBondContact O-N 3.08Å; N17-R20 PolarHBondContact O-N 3.01Å | |||
| 18 | K | 31.4 | Very low | 36.4 | Very low | 211 Ų | 211 | 109.8 Ų | 109.8 | 92% | 0.917 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | -1.2 | -170.4 | -86.4 | 176.3 | 169.8 | 176 | 0 | 116.9 | K16 | K16-K18 PolarHBondContact O-N 2.92Š|
| 19 | G | 32.4 | Very low | 36.5 | Very low | 59 Ų | 59 | 110.5 Ų | 110.5 | 61% | 0.608 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | -21.9 | 172 | 0 | 0 | 0 | 0 | 0 | 115.7 | N17 D21 | N17-G19 PolarHBondContact O-N 3.08Å; G19-D21 PolarHBondContact O-N 3.09Å |
| 20 | R | 40.7 | Very low | 36.6 | Very low | 73 Ų | 73 | 111.1 Ų | 111.1 | 28% | 0.275 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -9.1 | -173.5 | -82.7 | -176.7 | 168.9 | 171 | -0.1 | 114.9 | K16 N17 V22 E23 T24 D435 | K16-R20 HydrophobicContact CG-CB 4.21Å; N17-R20 PolarHBondContact O-N 3.01Å; R20-V22 VanDerWaalsContact C-N 3.34Å; R20-V22 PolarHBondContact O-N 3.18Å; R20-E23 PolarHBondContact O-N 3.26Å; R20-T24 PolarHBondContact O-N 3.28Å; R20-T24 VanDerWaalsContact O-N 3.11Å; R20-T24 PolarHBondContact O-OG1 3.41Å; R20-T24 VanDerWaalsContact O-OG1 3.04Å; R20-D435 IonicContact CZ-OD2 3.25Å; R20-D435 IonicContact NH1-OD2 3.68Å; R20-D435 PolarHBondContact NH1-OD2 3.27Å; R20-D435 IonicContact NH2-OD2 2.91Å; R20-D435 PolarHBondContact NH2-OD2 2.91Å |
| 21 | D | 40.7 | Very low | 37.2 | Very low | 87 Ų | 87 | 108.3 Ų | 108.3 | 47% | 0.465 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.6 | -38.9 | 178.4 | -161.5 | 25.9 | 0 | 0 | 0 | 112.9 | K16 G19 E23 M25 | K16-D21 HydrophobicContact CD-CB 3.81Å; K16-D21 IonicContact NZ-OD1 3.57Å; K16-D21 PolarHBondContact NZ-OD1 2.78Å; G19-D21 PolarHBondContact O-N 3.09Å; D21-E23 VanDerWaalsContact C-N 3.35Å; D21-E23 PolarHBondContact O-N 2.85Å; D21-M25 VanDerWaalsContact O-CB 3.26Å; D21-M25 WeakPolarHBondContact O-CB 2.99Å; D21-M25 WeakPolarHBondContact O-CG 3.5Å; D21-M25 PolarHBondContact O-N 3.02Å; D21-M25 VanDerWaalsContact O-N 3.14Å |
| 22 | V | 31.1 | Very low | 37.2 | Very low | 108 Ų | 108 | 105.2 Ų | 105.2 | 66% | 0.655 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -71.4 | -31.3 | -179.6 | -178.1 | 0 | 0 | 0 | 0 | 111.4 | R20 R26 | R20-V22 VanDerWaalsContact C-N 3.34Å; R20-V22 PolarHBondContact O-N 3.18Å; V22-R26 VanDerWaalsContact O-CB 3.26Å; V22-R26 WeakPolarHBondContact O-CB 3.25Å; V22-R26 PolarHBondContact O-N 3.24Å |
| 23 | E | 39.6 | Very low | 37.1 | Very low | 97 Ų | 97 | 102.1 Ų | 102.1 | 45% | 0.453 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -84.9 | -35.9 | -178.2 | -81.3 | -176.4 | 148.9 | 0 | 0 | 114.1 | R20 D21 M25 R26 R27 | R20-E23 PolarHBondContact O-N 3.26Å; D21-E23 VanDerWaalsContact C-N 3.35Å; D21-E23 PolarHBondContact O-N 2.85Å; E23-M25 VanDerWaalsContact C-N 3.31Å; E23-R26 CarbonylContact O-C 3.6Å; E23-R26 WeakPolarHBondContact O-CB 3.22Å; E23-R26 PolarHBondContact O-N 3.12Å; E23-R26 VanDerWaalsContact O-N 3.14Å; E23-R27 PolarHBondContact O-N 3.22Å |
| 24 | T | 41.5 | Very low | 37.4 | Very low | 72 Ų | 72 | 98.1 Ų | 98.1 | 44% | 0.442 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 167.5 | -40.8 | 0 | 0 | 0 | 0 | 110.1 | R20 R26 R27 H28 | R20-T24 PolarHBondContact O-N 3.28Å; R20-T24 VanDerWaalsContact O-N 3.11Å; R20-T24 PolarHBondContact O-OG1 3.41Å; R20-T24 VanDerWaalsContact O-OG1 3.04Å; T24-R26 VanDerWaalsContact C-N 3.29Å; T24-R26 PolarHBondContact O-N 3.16Å; T24-R27 PolarHBondContact O-N 2.98Å; T24-H28 WeakPolarHBondContact O-CB 3.04Å; T24-H28 PolarHBondContact O-N 3.39Å |
| 25 | M | 30.9 | Very low | 37.8 | Very low | 124 Ų | 124 | 95.9 Ų | 95.9 | 61% | 0.611 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -61.2 | -36.1 | 170.4 | -76.9 | -80.1 | -83.2 | 0 | 0 | 111.9 | D21 E23 R29 | D21-M25 VanDerWaalsContact O-CB 3.26Å; D21-M25 WeakPolarHBondContact O-CB 2.99Å; D21-M25 WeakPolarHBondContact O-CG 3.5Å; D21-M25 PolarHBondContact O-N 3.02Å; D21-M25 VanDerWaalsContact O-N 3.14Å; E23-M25 VanDerWaalsContact C-N 3.31Å; M25-R29 WeakPolarHBondContact O-CB 3.38Å; M25-R29 PolarHBondContact O-N 3.29Å |
| 26 | R | 34.8 | Very low | 37.9 | Very low | 160 Ų | 160 | 94.1 Ų | 94.1 | 60% | 0.604 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -71.9 | -35.7 | 176 | -163.8 | 177 | -176.4 | -172.8 | 0.7 | 112.7 | V22 E23 T24 R29 N30 | V22-R26 VanDerWaalsContact O-CB 3.26Å; V22-R26 WeakPolarHBondContact O-CB 3.25Å; V22-R26 PolarHBondContact O-N 3.24Å; E23-R26 CarbonylContact O-C 3.6Å; E23-R26 WeakPolarHBondContact O-CB 3.22Å; E23-R26 PolarHBondContact O-N 3.12Å; E23-R26 VanDerWaalsContact O-N 3.14Å; T24-R26 VanDerWaalsContact C-N 3.29Å; T24-R26 PolarHBondContact O-N 3.16Å; R26-R29 PolarHBondContact O-N 3.46Å; R26-N30 VanDerWaalsContact O-CB 3.3Å; R26-N30 WeakPolarHBondContact O-CB 3.37Å; R26-N30 VanDerWaalsContact O-CG 3.28Å; R26-N30 PolarHBondContact O-N 3.49Å |
| 27 | R | 45.2 | Very low | 37.6 | Very low | 49 Ų | 49 | 100.2 Ų | 100.2 | 19% | 0.185 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -66.1 | -51.2 | 172.1 | -177.8 | 178.1 | 178.3 | 176.8 | 1.9 | 110.3 | E23 T24 R29 N30 E31 E389 W392 | E23-R27 PolarHBondContact O-N 3.22Å; T24-R27 PolarHBondContact O-N 2.98Å; R27-R29 VanDerWaalsContact C-N 3.26Å; R27-R29 PolarHBondContact O-N 3.11Å; R27-N30 PolarHBondContact O-N 3.5Å; R27-N30 VanDerWaalsContact O-N 3.16Å; R27-E31 HydrophobicContact CG-CG 4.44Å; R27-E31 VanDerWaalsContact CG-OE1 3.3Å; R27-E31 WeakPolarHBondContact CG-OE1 3.34Å; R27-E31 IonicContact CZ-OE1 3.54Å; R27-E31 IonicContact NE-OE1 2.67Å; R27-E31 PolarHBondContact NE-OE1 3.35Å; R27-E31 IonicContact NH2-OE1 3.98Å; R27-E31 WeakPolarHBondContact O-CB 3.46Å; R27-E31 WeakPolarHBondContact O-CG 3.37Å; R27-E31 PolarHBondContact O-N 2.93Å; R27-E389 IonicContact CZ-OE2 2.65Å; R27-E389 VanDerWaalsContact NH2-CD 3.25Å; R27-E389 IonicContact NH2-OE1 2.83Å; R27-E389 PolarHBondContact NH2-OE1 3.33Å; R27-E389 IonicContact NH2-OE2 3.34Å; R27-E389 PolarHBondContact NH2-OE2 3.04Å; R27-W392 VanDerWaalsContact NH1-CE2 3.25Å; R27-W392 VanDerWaalsContact NH1-NE1 3.19Å |
| 28 | H | 42.6 | Very low | 38.2 | Very low | 97 Ų | 97 | 98 Ų | 98 | 45% | 0.449 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -57 | -42 | 173.4 | -156.2 | 68.2 | 0 | 0 | 0 | 110.4 | T24 V32 | T24-H28 WeakPolarHBondContact O-CB 3.04Å; T24-H28 PolarHBondContact O-N 3.39Å; H28-V32 WeakPolarHBondContact O-CA 3.43Å; H28-V32 WeakPolarHBondContact O-CB 3.16Å; H28-V32 WeakPolarHBondContact O-CG2 3.47Å; H28-V32 PolarHBondContact O-N 3.41Å |
| 29 | R | 35 | Very low | 39 | Very low | 190 Ų | 190 | 89.7 Ų | 89.7 | 72% | 0.717 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -69.5 | -34.4 | 177.8 | -162.5 | 174.6 | -171.5 | -178.8 | 2.7 | 113.9 | M25 R26 R27 T33 | M25-R29 WeakPolarHBondContact O-CB 3.38Å; M25-R29 PolarHBondContact O-N 3.29Å; R26-R29 PolarHBondContact O-N 3.46Å; R27-R29 VanDerWaalsContact C-N 3.26Å; R27-R29 PolarHBondContact O-N 3.11Å; R29-T33 WeakPolarHBondContact O-CB 3.16Å; R29-T33 PolarHBondContact O-N 3.33Å; R29-T33 PolarHBondContact O-OG1 3.37Å |
| 30 | N | 31.6 | Very low | 39.7 | Very low | 95 Ų | 95 | 93.9 Ų | 93.9 | 51% | 0.508 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -75.5 | -40.8 | 175.3 | -79.7 | -13.7 | 0 | 0 | 0 | 111.8 | R26 R27 T33 V34 | R26-N30 VanDerWaalsContact O-CB 3.3Å; R26-N30 WeakPolarHBondContact O-CB 3.37Å; R26-N30 VanDerWaalsContact O-CG 3.28Å; R26-N30 PolarHBondContact O-N 3.49Å; R27-N30 PolarHBondContact O-N 3.5Å; R27-N30 VanDerWaalsContact O-N 3.16Å; N30-T33 PolarHBondContact O-N 3.42Å; N30-V34 WeakPolarHBondContact O-CG2 3.31Å; N30-V34 PolarHBondContact O-N 3.21Å |
| 31 | E | 46.7 | Very low | 39.9 | Very low | 77 Ų | 77 | 99.2 Ų | 99.2 | 36% | 0.36 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.5 | -47.4 | 171.4 | -74.6 | 167.7 | -178.2 | 0 | 0 | 110.1 | R27 T33 V34 E35 | R27-E31 HydrophobicContact CG-CG 4.44Å; R27-E31 VanDerWaalsContact CG-OE1 3.3Å; R27-E31 WeakPolarHBondContact CG-OE1 3.34Å; R27-E31 IonicContact CZ-OE1 3.54Å; R27-E31 IonicContact NE-OE1 2.67Å; R27-E31 PolarHBondContact NE-OE1 3.35Å; R27-E31 IonicContact NH2-OE1 3.98Å; R27-E31 WeakPolarHBondContact O-CB 3.46Å; R27-E31 WeakPolarHBondContact O-CG 3.37Å; R27-E31 PolarHBondContact O-N 2.93Å; E31-T33 VanDerWaalsContact C-N 3.28Å; E31-T33 PolarHBondContact O-N 3.46Å; E31-V34 PolarHBondContact O-N 3.48Å; E31-E35 WeakPolarHBondContact O-CB 3.27Å; E31-E35 PolarHBondContact O-N 3.04Å |
| 32 | V | 40.2 | Very low | 40.4 | Very low | 25 Ų | 25 | 98 Ų | 98 | 15% | 0.152 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -57 | -39.4 | 170.5 | 166.5 | 0 | 0 | 0 | 0 | 110.9 | H28 E35 L36 | H28-V32 WeakPolarHBondContact O-CA 3.43Å; H28-V32 WeakPolarHBondContact O-CB 3.16Å; H28-V32 WeakPolarHBondContact O-CG2 3.47Å; H28-V32 PolarHBondContact O-N 3.41Å; V32-E35 PolarHBondContact O-N 3.08Å; V32-L36 HydrophobicContact CG1-CD1 3.68Å; V32-L36 HydrophobicContact CG1-CG 4.1Å; V32-L36 WeakPolarHBondContact O-CB 3.18Å; V32-L36 WeakPolarHBondContact O-CD1 3.33Å; V32-L36 WeakPolarHBondContact O-CG 3.46Å; V32-L36 PolarHBondContact O-N 2.77Å |
| 33 | T | 30.5 | Very low | 41.4 | Very low | 54 Ų | 54 | 94.5 Ų | 94.5 | 33% | 0.331 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -69.4 | -40.2 | 178.1 | -61.1 | 0 | 0 | 0 | 0 | 112.6 | R29 N30 E31 R37 | R29-T33 WeakPolarHBondContact O-CB 3.16Å; R29-T33 PolarHBondContact O-N 3.33Å; R29-T33 PolarHBondContact O-OG1 3.37Å; N30-T33 PolarHBondContact O-N 3.42Å; E31-T33 VanDerWaalsContact C-N 3.28Å; E31-T33 PolarHBondContact O-N 3.46Å; T33-R37 WeakPolarHBondContact O-CG 3.45Å; T33-R37 PolarHBondContact O-N 3.17Å; T33-R37 VanDerWaalsContact O-N 3.13Å |
| 34 | V | 38.8 | Very low | 42.1 | Very low | 96 Ų | 96 | 94.4 Ų | 94.4 | 58% | 0.582 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -69.2 | -40.2 | 175.7 | 171.9 | 0 | 0 | 0 | 0 | 110.4 | N30 E31 R37 K38 | N30-V34 WeakPolarHBondContact O-CG2 3.31Å; N30-V34 PolarHBondContact O-N 3.21Å; E31-V34 PolarHBondContact O-N 3.48Å; V34-R37 PolarHBondContact O-N 3.28Å; V34-K38 WeakPolarHBondContact O-CB 3.35Å; V34-K38 PolarHBondContact O-N 3.45Å |
| 35 | E | 47.1 | Very low | 42.6 | Very low | 39 Ų | 39 | 95.7 Ų | 95.7 | 18% | 0.182 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -67 | -39.8 | 174.9 | -170.9 | 158.4 | -128.6 | 0 | 0 | 111.7 | E31 V32 R37 K38 N39 R308 | E31-E35 WeakPolarHBondContact O-CB 3.27Å; E31-E35 PolarHBondContact O-N 3.04Å; V32-E35 PolarHBondContact O-N 3.08Å; E35-R37 VanDerWaalsContact C-N 3.32Å; E35-R37 PolarHBondContact O-N 2.8Å; E35-K38 CarbonylContact O-C 3.55Å; E35-K38 PolarHBondContact O-N 3.08Å; E35-N39 WeakPolarHBondContact O-CA 3.44Å; E35-N39 WeakPolarHBondContact O-CB 3.31Å; E35-N39 PolarHBondContact O-N 2.88Å; E35-N39 PolarHBondContact O-ND2 2.9Å; E35-N39 PolarHBondContact O-OD1 3.27Å; E35-R308 IonicContact OE1-NH1 2.86Å; E35-R308 PolarHBondContact OE1-NH1 2.97Å |
| 36 | L | 37.6 | Very low | 43.7 | Very low | 75 Ų | 75 | 90.9 Ų | 90.9 | 39% | 0.393 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.7 | -38.7 | 172.5 | -78.1 | 167 | 0 | 0 | 0 | 111.8 | V32 K40 | V32-L36 HydrophobicContact CG1-CD1 3.68Å; V32-L36 HydrophobicContact CG1-CG 4.1Å; V32-L36 WeakPolarHBondContact O-CB 3.18Å; V32-L36 WeakPolarHBondContact O-CD1 3.33Å; V32-L36 WeakPolarHBondContact O-CG 3.46Å; V32-L36 PolarHBondContact O-N 2.77Å; L36-K40 WeakPolarHBondContact O-CB 3.39Å; L36-K40 VanDerWaalsContact O-CG 3.3Å; L36-K40 WeakPolarHBondContact O-CG 3.43Å; L36-K40 PolarHBondContact O-N 3.3Å |
| 37 | R | 34.4 | Very low | 44.8 | Very low | 185 Ų | 185 | 84.2 Ų | 84.2 | 70% | 0.698 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -69.3 | -36.8 | 175.3 | -72.4 | 175.5 | -175.4 | -179.1 | 2.5 | 112 | T33 V34 E35 R41 | T33-R37 WeakPolarHBondContact O-CG 3.45Å; T33-R37 PolarHBondContact O-N 3.17Å; T33-R37 VanDerWaalsContact O-N 3.13Å; V34-R37 PolarHBondContact O-N 3.28Å; E35-R37 VanDerWaalsContact C-N 3.32Å; E35-R37 PolarHBondContact O-N 2.8Å; R37-R41 PolarHBondContact O-N 2.95Å |
| 38 | K | 48.5 | Very low | 45.2 | Very low | 84 Ų | 84 | 87.7 Ų | 87.7 | 37% | 0.365 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -73.3 | -42.5 | 177.3 | -169 | -177 | 177.6 | -167.4 | 0 | 111.7 | V34 E35 K40 R41 D42 | V34-K38 WeakPolarHBondContact O-CB 3.35Å; V34-K38 PolarHBondContact O-N 3.45Å; E35-K38 CarbonylContact O-C 3.55Å; E35-K38 PolarHBondContact O-N 3.08Å; K38-K40 PolarHBondContact O-N 3.4Å; K38-R41 CarbonylContact O-C 3.55Å; K38-R41 WeakPolarHBondContact O-CA 3.47Å; K38-R41 WeakPolarHBondContact O-CB 3.47Å; K38-R41 PolarHBondContact O-N 3.45Å; K38-R41 VanDerWaalsContact O-N 3.08Å; K38-D42 WeakPolarHBondContact O-CB 3.4Å; K38-D42 PolarHBondContact O-N 3.28Å |
| 39 | N | 48.9 | Very low | 45.5 | Very low | 38 Ų | 38 | 87.9 Ų | 87.9 | 20% | 0.203 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -59.8 | -44.3 | 172.2 | -73.1 | -9.6 | 0 | 0 | 0 | 110.2 | E35 R41 D42 E43 | E35-N39 WeakPolarHBondContact O-CA 3.44Å; E35-N39 WeakPolarHBondContact O-CB 3.31Å; E35-N39 PolarHBondContact O-N 2.88Å; E35-N39 PolarHBondContact O-ND2 2.9Å; E35-N39 PolarHBondContact O-OD1 3.27Å; N39-R41 VanDerWaalsContact C-N 3.29Å; N39-R41 PolarHBondContact O-N 2.9Å; N39-D42 CarbonylContact O-C 3.56Å; N39-D42 PolarHBondContact O-N 3.35Å; N39-E43 WeakPolarHBondContact O-CA 3.42Å; N39-E43 WeakPolarHBondContact O-CB 3.34Å; N39-E43 WeakPolarHBondContact O-CG 3.48Å; N39-E43 PolarHBondContact O-N 3.31Å |
| 40 | K | 46.8 | Very low | 46.1 | Very low | 146 Ų | 146 | 80.2 Ų | 80.2 | 64% | 0.635 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -59.5 | -36.4 | 172.7 | -79.7 | -177.9 | 178.1 | -172.5 | 0 | 113.8 | L36 K38 E43 H44 | L36-K40 WeakPolarHBondContact O-CB 3.39Å; L36-K40 VanDerWaalsContact O-CG 3.3Å; L36-K40 WeakPolarHBondContact O-CG 3.43Å; L36-K40 PolarHBondContact O-N 3.3Å; K38-K40 PolarHBondContact O-N 3.4Å; K40-E43 WeakPolarHBondContact CA-OE2 3.5Å; K40-H44 PolarHBondContact O-N 3.3Å |
| 41 | R | 44.6 | Very low | 46.8 | Very low | 186 Ų | 186 | 78.9 Ų | 78.9 | 70% | 0.702 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -72.4 | -45.2 | 175.8 | -175.1 | 179 | 178.8 | 173.2 | -0.4 | 111.5 | R37 K38 N39 E43 H44 L45 | R37-R41 PolarHBondContact O-N 2.95Å; K38-R41 CarbonylContact O-C 3.55Å; K38-R41 WeakPolarHBondContact O-CA 3.47Å; K38-R41 WeakPolarHBondContact O-CB 3.47Å; K38-R41 PolarHBondContact O-N 3.45Å; K38-R41 VanDerWaalsContact O-N 3.08Å; N39-R41 VanDerWaalsContact C-N 3.29Å; N39-R41 PolarHBondContact O-N 2.9Å; R41-E43 VanDerWaalsContact C-N 3.34Å; R41-H44 PolarHBondContact O-N 3.37Å; R41-L45 HydrophobicContact CG-CD1 4.39Å; R41-L45 WeakPolarHBondContact O-CG 3.19Å; R41-L45 PolarHBondContact O-N 3.28Å; R41-L45 VanDerWaalsContact O-N 3.09Å |
| 42 | D | 51.1 | Low | 46.5 | Very low | 60 Ų | 60 | 78.5 Ų | 78.5 | 32% | 0.321 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -69.2 | -32.6 | 178.9 | -68.9 | -16.1 | 0 | 0 | 0 | 111 | K38 N39 L45 L46 | K38-D42 WeakPolarHBondContact O-CB 3.4Å; K38-D42 PolarHBondContact O-N 3.28Å; N39-D42 CarbonylContact O-C 3.56Å; N39-D42 PolarHBondContact O-N 3.35Å; D42-L45 CarbonylContact O-C 3.57Å; D42-L45 PolarHBondContact O-N 3.34Å; D42-L46 VanDerWaalsContact O-CB 3.22Å; D42-L46 WeakPolarHBondContact O-CB 3.23Å; D42-L46 WeakPolarHBondContact O-CD1 3.28Å; D42-L46 WeakPolarHBondContact O-CG 3.43Å; D42-L46 PolarHBondContact O-N 3Å |
| 43 | E | 53.7 | Low | 46.2 | Very low | 36 Ų | 36 | 86.3 Ų | 86.3 | 17% | 0.168 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -59.4 | -50.4 | 170.2 | -83.5 | 162.9 | -157.7 | 0 | 0 | 110.5 | N39 K40 R41 L45 L46 K47 | N39-E43 WeakPolarHBondContact O-CA 3.42Å; N39-E43 WeakPolarHBondContact O-CB 3.34Å; N39-E43 WeakPolarHBondContact O-CG 3.48Å; N39-E43 PolarHBondContact O-N 3.31Å; K40-E43 WeakPolarHBondContact CA-OE2 3.5Å; R41-E43 VanDerWaalsContact C-N 3.34Å; E43-L45 VanDerWaalsContact C-N 3.25Å; E43-L45 PolarHBondContact O-N 3.13Å; E43-L46 PolarHBondContact O-N 3.17Å; E43-K47 WeakPolarHBondContact O-CB 3.5Å; E43-K47 WeakPolarHBondContact O-CG 3.37Å; E43-K47 PolarHBondContact O-N 3.33Å |
| 44 | H | 53.3 | Low | 46.5 | Very low | 95 Ų | 95 | 90.4 Ų | 90.4 | 44% | 0.44 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.4 | -33.1 | 178.1 | -165.8 | 63.4 | 0 | 0 | 0 | 112 | K40 R41 K48 | K40-H44 PolarHBondContact O-N 3.3Å; R41-H44 PolarHBondContact O-N 3.37Å; H44-K48 WeakPolarHBondContact NE2-CE 3.5Å; H44-K48 PolarHBondContact NE2-NZ 3.05Å; H44-K48 WeakPolarHBondContact O-CG 3.45Å |
| 45 | L | 51.7 | Low | 45.9 | Very low | 98 Ų | 98 | 94.6 Ų | 94.6 | 51% | 0.513 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -74.8 | -35.6 | 174.8 | -69.9 | 169.7 | 0 | 0 | 0 | 112.7 | R41 D42 E43 K48 R49 | R41-L45 HydrophobicContact CG-CD1 4.39Å; R41-L45 WeakPolarHBondContact O-CG 3.19Å; R41-L45 PolarHBondContact O-N 3.28Å; R41-L45 VanDerWaalsContact O-N 3.09Å; D42-L45 CarbonylContact O-C 3.57Å; D42-L45 PolarHBondContact O-N 3.34Å; E43-L45 VanDerWaalsContact C-N 3.25Å; E43-L45 PolarHBondContact O-N 3.13Å; L45-K48 CarbonylContact O-C 3.55Å; L45-K48 PolarHBondContact O-N 3.47Å; L45-R49 PolarHBondContact O-N 3.44Å |
| 46 | L | 55.7 | Low | 44.9 | Very low | 23 Ų | 23 | 96.6 Ų | 96.6 | 12% | 0.12 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -76.6 | -39.4 | 179.7 | -79.2 | 161 | 0 | 0 | 0 | 112.5 | D42 E43 K48 R49 R231 | D42-L46 VanDerWaalsContact O-CB 3.22Å; D42-L46 WeakPolarHBondContact O-CB 3.23Å; D42-L46 WeakPolarHBondContact O-CD1 3.28Å; D42-L46 WeakPolarHBondContact O-CG 3.43Å; D42-L46 PolarHBondContact O-N 3Å; E43-L46 PolarHBondContact O-N 3.17Å; L46-K48 PolarHBondContact O-N 3.2Å; L46-R49 VanDerWaalsContact CD2-CZ 3.43Å; L46-R49 PolarHBondContact O-N 3.27Å; L46-R49 VanDerWaalsContact O-N 3.08Å; L46-R231 VanDerWaalsContact CD1-NH1 3.34Å |
| 47 | K | 57.8 | Low | 44.5 | Very low | 20 Ų | 20 | 100.9 Ų | 100.9 | 9% | 0.087 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -55.9 | -30.1 | 168.7 | -73.2 | -177.4 | 178.9 | -168.3 | 0 | 111.2 | E43 D189 | E43-K47 WeakPolarHBondContact O-CB 3.5Å; E43-K47 WeakPolarHBondContact O-CG 3.37Å; E43-K47 PolarHBondContact O-N 3.33Å; K47-D189 IonicContact NZ-OD1 3.83Å |
| 48 | K | 52.9 | Low | 44.2 | Very low | 123 Ų | 123 | 100.1 Ų | 100.1 | 54% | 0.535 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -87.7 | -24.5 | 175.2 | -72.6 | 178.6 | 171.1 | 175.7 | 0 | 114.7 | H44 L45 L46 N50 V51 | H44-K48 WeakPolarHBondContact NE2-CE 3.5Å; H44-K48 PolarHBondContact NE2-NZ 3.05Å; H44-K48 WeakPolarHBondContact O-CG 3.45Å; L45-K48 CarbonylContact O-C 3.55Å; L45-K48 PolarHBondContact O-N 3.47Å; L46-K48 PolarHBondContact O-N 3.2Å; K48-N50 VanDerWaalsContact C-N 3.32Å; K48-N50 PolarHBondContact O-N 2.95Å; K48-V51 PolarHBondContact O-N 3.23Å |
| 49 | R | 48.7 | Very low | 43.3 | Very low | 101 Ų | 101 | 103.8 Ų | 103.8 | 38% | 0.381 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.5 | -32.7 | -175.9 | -170.3 | 179.6 | 78.9 | 179.3 | 2.6 | 113 | L45 L46 D263 | L45-R49 PolarHBondContact O-N 3.44Å; L46-R49 VanDerWaalsContact CD2-CZ 3.43Å; L46-R49 PolarHBondContact O-N 3.27Å; L46-R49 VanDerWaalsContact O-N 3.08Å; R49-D263 IonicContact CZ-OD1 3.64Å; R49-D263 IonicContact NH1-OD1 2.87Å; R49-D263 IonicContact NH2-OD1 3.46Å; R49-D263 PolarHBondContact NH2-OD1 3.06Å; R49-D263 IonicContact NH2-OD2 3.63Å; R49-D263 PolarHBondContact NH2-OD2 3.13Å |
| 50 | N | 47.2 | Very low | 42.5 | Very low | 28 Ų | 28 | 106.1 Ų | 106.1 | 15% | 0.15 | 52% | 0.523 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 11.3 | -176.5 | -67.6 | -3.2 | 0 | 0 | 0 | 113.1 | K48 P52 W181 | K48-N50 VanDerWaalsContact C-N 3.32Å; K48-N50 PolarHBondContact O-N 2.95Å; N50-P52 WeakPolarHBondContact O-CD 3.27Å; N50-W181 WeakPolarHBondContact O-CZ2 3.47Å |
| 51 | V | 47.2 | Very low | 41.7 | Very low | 68 Ų | 68 | 107.1 Ų | 107.1 | 41% | 0.412 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -67.5 | 115.9 | 166.8 | -176.8 | 0 | 0 | 0 | 0 | 106.8 | K48 Q53 W181 | K48-V51 PolarHBondContact O-N 3.23Å; V51-Q53 PolarHBondContact O-N 2.82Å; V51-W181 HydrophobicContact CB-CH2 4.36Å; V51-W181 HydrophobicContact CB-CZ2 4.27Å; V51-W181 HydrophobicContact CG1-CH2 4.4Å; V51-W181 HydrophobicContact CG2-CH2 4.49Å; V51-W181 HydrophobicContact CG2-CZ2 4.03Å |
| 52 | P | 40.9 | Very low | 41.4 | Very low | 69 Ų | 69 | 103 Ų | 103 | 45% | 0.448 | 53% | 0.531 | S | S | . | . | trans | -51.7 | 115.9 | 172.1 | -23.1 | 31.7 | 0 | 0 | 0 | 107.3 | N50 E54 W181 | N50-P52 WeakPolarHBondContact O-CD 3.27Å; P52-E54 PolarHBondContact O-N 2.83Å; P52-W181 HydrophobicContact CG-CH2 4.02Å; P52-W181 HydrophobicContact CG-CZ3 3.66Å | ||
| 53 | Q | 32.3 | Very low | 40.6 | Very low | 189 Ų | 189 | 105.8 Ų | 105.8 | 88% | 0.883 | 55% | 0.546 | S | S | * | . | trans | -63.8 | 120.5 | 154.9 | -76.8 | -176.7 | -31.4 | 0 | 0 | 104.7 | V51 E55 | V51-Q53 PolarHBondContact O-N 2.82Å; Q53-E55 PolarHBondContact O-N 3.42Å | ||
| 54 | E | 37.1 | Very low | 39.5 | Very low | 139 Ų | 139 | 108.7 Ų | 108.7 | 65% | 0.65 | 57% | 0.57 | S | S | * | * | trans | -53.1 | 105.9 | 170.4 | -71.2 | 176.6 | 167.3 | 0 | 0 | 107 | P52 S56 | P52-E54 PolarHBondContact O-N 2.83Å; E54-S56 PolarHBondContact O-N 3.4Å | ||
| 55 | E | 25.9 | Very low | 38.6 | Very low | 184 Ų | 184 | 110.2 Ų | 110.2 | 86% | 0.86 | 58% | 0.582 | S | S | * | * | trans | -63.1 | 100.9 | 142 | -86 | -172.6 | 176.1 | 0 | 0 | 103.2 | Q53 L57 | Q53-E55 PolarHBondContact O-N 3.42Å; E55-L57 VanDerWaalsContact C-N 3.32Å; E55-L57 PolarHBondContact O-N 3.45Å | ||
| 56 | S | 27.6 | Very low | 38.2 | Very low | 81 Ų | 81 | 109.2 Ų | 109.2 | 57% | 0.566 | 57% | 0.574 | S | S | * | * | trans | -50 | 100.7 | 172.9 | 50.8 | 0 | 0 | 0 | 0 | 107.9 | E54 E58 | E54-S56 PolarHBondContact O-N 3.4Å; S56-E58 PolarHBondContact O-N 3.44Å | ||
| 57 | L | 27.3 | Very low | 37.3 | Very low | 165 Ų | 165 | 117.9 Ų | 117.9 | 86% | 0.864 | 61% | 0.61 | S | S | * | * | trans | -68.1 | 75.6 | 155.9 | -70.4 | 170.8 | 0 | 0 | 0 | 105.5 | E55 D59 | E55-L57 VanDerWaalsContact C-N 3.32Å; E55-L57 PolarHBondContact O-N 3.45Å; L57-D59 PolarHBondContact O-N 2.97Å | ||
| 58 | E | 29.7 | Very low | 36.4 | Very low | 170 Ų | 170 | 120.2 Ų | 120.2 | 79% | 0.794 | 64% | 0.64 | S | S | * | * | trans | -65.4 | 69.6 | 164.1 | -65.3 | -170.7 | 161.8 | 0 | 0 | 107.6 | S56 | S56-E58 PolarHBondContact O-N 3.44Š| ||
| 59 | D | 29.8 | Very low | 35.9 | Very low | 160 Ų | 160 | 121.1 Ų | 121.1 | 86% | 0.856 | 65% | 0.646 | S | S | * | * | trans | -160.7 | 68.3 | 162.4 | -120 | -8.1 | 0 | 0 | 0 | 110.4 | L57 | L57-D59 PolarHBondContact O-N 2.97Š| ||
| 60 | S | 30.2 | Very low | 36 | Very low | 87 Ų | 87 | 124.5 Ų | 124.5 | 61% | 0.608 | 67% | 0.671 | S | S | * | * | trans | -160.1 | 130.5 | 140.5 | 55.4 | 0 | 0 | 0 | 0 | 108.9 | V62 | S60-V62 PolarHBondContact O-N 3Š| ||
| 61 | D | 30.7 | Very low | 36.7 | Very low | 168 Ų | 168 | 125.4 Ų | 125.4 | 90% | 0.898 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | 27.3 | -178.2 | -72.6 | -49.5 | 0 | 0 | 0 | 115.3 | ||
| 62 | V | 37.8 | Very low | 38.4 | Very low | 100 Ų | 100 | 126.1 Ų | 126.1 | 61% | 0.606 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | -13.5 | -178 | -157.7 | 0 | 0 | 0 | 0 | 112 | S60 S64 | S60-V62 PolarHBondContact O-N 3Å; V62-S64 VanDerWaalsContact C-N 3.33Å; V62-S64 PolarHBondContact O-N 3.04Å |
| 63 | D | 34.7 | Very low | 40.4 | Very low | 117 Ų | 117 | 125.3 Ų | 125.3 | 63% | 0.626 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -13.6 | -174 | -112.4 | -1.7 | 0 | 0 | 0 | 114.5 | K97 | D63-K97 IonicContact OD1-NZ 3.88Š|
| 64 | S | 31.2 | Very low | 43 | Very low | 97 Ų | 97 | 122.1 Ų | 122.1 | 68% | 0.678 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -21 | 175.4 | 56.3 | 0 | 0 | 0 | 0 | 114 | V62 | V62-S64 VanDerWaalsContact C-N 3.33Å; V62-S64 PolarHBondContact O-N 3.04Å |
| 65 | D | 34.3 | Very low | 45.5 | Very low | 127 Ų | 127 | 116.8 Ų | 116.8 | 68% | 0.679 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -21.9 | -172.3 | -101 | -0.9 | 0 | 0 | 0 | 114 | ||
| 66 | F | 42.3 | Very low | 48.6 | Very low | 78 Ų | 78 | 108.2 Ų | 108.2 | 34% | 0.342 | 60% | 0.603 | S | S | . | * | G | 310 helix | trans | -81.5 | -18.1 | -174.5 | -123.9 | -91.5 | 0 | 0 | 0 | 114.5 | G68 A94 | F66-G68 PolarHBondContact O-N 3.18Å; F66-A94 HydrophobicContact CE1-CB 4.09Å; F66-A94 HydrophobicContact CZ-CB 3.86Å |
| 67 | K | 38.5 | Very low | 51.6 | Low | 205 Ų | 205 | 106.6 Ų | 106.6 | 89% | 0.891 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -76.4 | -7 | 176.2 | -74.5 | -179.7 | 179.5 | 169.5 | 0 | 113.1 | ||
| 68 | G | 37.7 | Very low | 54.7 | Low | 69 Ų | 69 | 105.3 Ų | 105.3 | 71% | 0.711 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -105.5 | -10.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | F66 | F66-G68 PolarHBondContact O-N 3.18Š|
| 69 | Q | 43.5 | Very low | 57.7 | Low | 142 Ų | 142 | 100.5 Ų | 100.5 | 66% | 0.664 | 56% | 0.557 | S | S | * | * | trans | -110.8 | 110.5 | 179.4 | -76.8 | 177.8 | -9.6 | 0 | 0 | 110.7 | V71 | Q69-V71 HydrophobicContact CB-CG2 3.74Å; Q69-V71 PolarHBondContact O-N 3.16Å | ||
| 70 | N | 49.7 | Very low | 60.7 | Low | 171 Ų | 171 | 92.9 Ų | 92.9 | 91% | 0.914 | 52% | 0.516 | S | S | * | . | trans | -65.2 | 74 | 159 | -81.9 | -35.8 | 0 | 0 | 0 | 108.5 | T72 | N70-T72 PolarHBondContact O-N 3.22Š| ||
| 71 | V | 62.4 | Low | 63.7 | Low | 48 Ų | 48 | 92.7 Ų | 92.7 | 29% | 0.291 | 51% | 0.511 | S | S | . | . | trans | -71.8 | 112.9 | 172.9 | -170.2 | 0 | 0 | 0 | 0 | 106.8 | Q69 A75 I76 | Q69-V71 HydrophobicContact CB-CG2 3.74Å; Q69-V71 PolarHBondContact O-N 3.16Å; V71-A75 HydrophobicContact CG1-CB 3.88Å; V71-I76 HydrophobicContact CB-CG1 4.48Å; V71-I76 HydrophobicContact CG1-CD1 4.38Å; V71-I76 HydrophobicContact CG1-CG1 3.63Å | ||
| 72 | T | 82.6 | Confident | 66.7 | Low | 82 Ų | 82 | 86.2 Ų | 86.2 | 50% | 0.503 | 48% | 0.48 | S | S | . | . | trans | -68.8 | 152.8 | 176.7 | 58.7 | 0 | 0 | 0 | 0 | 110.1 | N70 D74 A75 I76 | N70-T72 PolarHBondContact O-N 3.22Å; T72-D74 PolarHBondContact O-N 3.05Å; T72-A75 WeakPolarHBondContact O-CB 3.41Å; T72-A75 PolarHBondContact O-N 2.99Å; T72-A75 PolarHBondContact OG1-N 2.67Å; T72-I76 PolarHBondContact O-N 2.65Å; T72-I76 VanDerWaalsContact O-N 3.13Å | ||
| 73 | L | 83.7 | Confident | 69.2 | Low | 52 Ų | 52 | 89.7 Ų | 89.7 | 27% | 0.272 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -54.8 | -35.9 | 176.6 | -177.7 | 57.1 | 0 | 0 | 0 | 112.2 | I76 L77 D109 L110 | L73-I76 PolarHBondContact O-N 3.46Å; L73-L77 PolarHBondContact O-N 2.8Å; L73-D109 HydrophobicContact CD2-CB 4.27Å; L73-L110 HydrophobicContact CD1-CD1 3.42Å; L73-L110 VanDerWaalsContact CD1-CD1 3.42Å; L73-L110 HydrophobicContact CD1-CG 4.41Å |
| 74 | D | 85.9 | Confident | 72.1 | Confident | 123 Ų | 123 | 88 Ų | 88 | 66% | 0.658 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.1 | -40.1 | 175.7 | -62.1 | -30.6 | 0 | 0 | 0 | 112.6 | T72 L77 Q78 | T72-D74 PolarHBondContact O-N 3.05Å; D74-L77 PolarHBondContact O-N 3.46Å; D74-Q78 WeakPolarHBondContact O-CB 3.39Å; D74-Q78 PolarHBondContact O-N 2.95Å |
| 75 | A | 89.5 | Confident | 75 | Confident | 26 Ų | 26 | 85.3 Ų | 85.3 | 22% | 0.215 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -68.4 | -38 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V71 T72 N79 | V71-A75 HydrophobicContact CG1-CB 3.88Å; T72-A75 WeakPolarHBondContact O-CB 3.41Å; T72-A75 PolarHBondContact O-N 2.99Å; T72-A75 PolarHBondContact OG1-N 2.67Å; A75-N79 VanDerWaalsContact O-CB 3.28Å; A75-N79 WeakPolarHBondContact O-CB 3.39Å; A75-N79 PolarHBondContact O-N 3.11Å; A75-N79 PolarHBondContact O-ND2 3.26Å |
| 76 | I | 91.4 | Very high | 77.8 | Confident | 4 Ų | 4 | 84.5 Ų | 84.5 | 2% | 0.021 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -60.7 | -48.2 | 173.3 | -64.7 | 178 | 0 | 0 | 0 | 110 | V71 T72 L73 N79 A80 A91 A94 A95 L98 | V71-I76 HydrophobicContact CB-CG1 4.48Å; V71-I76 HydrophobicContact CG1-CD1 4.38Å; V71-I76 HydrophobicContact CG1-CG1 3.63Å; T72-I76 PolarHBondContact O-N 2.65Å; T72-I76 VanDerWaalsContact O-N 3.13Å; L73-I76 PolarHBondContact O-N 3.46Å; I76-N79 PolarHBondContact O-N 3.02Å; I76-A80 VanDerWaalsContact O-CB 3.26Å; I76-A80 WeakPolarHBondContact O-CB 3.41Å; I76-A80 PolarHBondContact O-N 2.88Å; I76-A91 WeakPolarHBondContact CG2-O 3.37Å; I76-A94 HydrophobicContact CD1-CB 3.95Å; I76-A94 HydrophobicContact CG1-CB 4.14Å; I76-A95 HydrophobicContact CG2-CB 3.98Å; I76-L98 HydrophobicContact CD1-CD1 3.35Å; I76-L98 HydrophobicContact CD1-CG 4.39Å |
| 77 | L | 90.9 | Very high | 80.3 | Confident | 47 Ų | 47 | 84 Ų | 84 | 25% | 0.246 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -61.3 | -48.4 | -179.9 | -170.5 | 107.1 | 0 | 0 | 0 | 111.8 | L73 D74 N79 A80 T81 S113 I115 I118 | L73-L77 PolarHBondContact O-N 2.8Å; D74-L77 PolarHBondContact O-N 3.46Å; L77-N79 VanDerWaalsContact C-N 3.35Å; L77-N79 PolarHBondContact O-N 3.47Å; L77-A80 PolarHBondContact O-N 3.18Å; L77-T81 PolarHBondContact O-N 3.28Å; L77-S113 WeakPolarHBondContact CD1-O 3.19Å; L77-I115 HydrophobicContact CD1-CB 4.36Å; L77-I115 HydrophobicContact CD1-CD1 4.15Å; L77-I118 HydrophobicContact CD1-CD1 4.18Å; L77-I118 HydrophobicContact CG-CD1 4.22Å |
| 78 | Q | 91.6 | Very high | 83.1 | Confident | 139 Ų | 139 | 75.7 Ų | 75.7 | 65% | 0.65 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -59.3 | -46.9 | 179.4 | -174.4 | 177.6 | 5.7 | 0 | 0 | 111.2 | D74 A80 T81 | D74-Q78 WeakPolarHBondContact O-CB 3.39Å; D74-Q78 PolarHBondContact O-N 2.95Å; Q78-A80 VanDerWaalsContact C-N 3.35Å; Q78-A80 PolarHBondContact O-N 3.37Å; Q78-T81 PolarHBondContact O-N 3.42Å; Q78-T81 PolarHBondContact O-OG1 3.33Å |
| 79 | N | 93.8 | Very high | 85.8 | Confident | 69 Ų | 69 | 74.1 Ų | 74.1 | 37% | 0.369 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -69.7 | -31.7 | -179.1 | -70.3 | -14.7 | 0 | 0 | 0 | 112.4 | A75 I76 L77 T81 S82 I87 A91 | A75-N79 VanDerWaalsContact O-CB 3.28Å; A75-N79 WeakPolarHBondContact O-CB 3.39Å; A75-N79 PolarHBondContact O-N 3.11Å; A75-N79 PolarHBondContact O-ND2 3.26Å; I76-N79 PolarHBondContact O-N 3.02Å; L77-N79 VanDerWaalsContact C-N 3.35Å; L77-N79 PolarHBondContact O-N 3.47Å; N79-T81 PolarHBondContact O-N 2.88Å; N79-S82 WeakPolarHBondContact O-CB 3.26Å; N79-S82 PolarHBondContact O-N 3.12Å; N79-I87 HydrophobicContact CB-CG2 3.7Å; N79-A91 HydrophobicContact CB-CB 3.62Å |
| 80 | A | 92.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -66.1 | -24 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I76 L77 Q78 S82 Q88 A91 I115 I118 | I76-A80 VanDerWaalsContact O-CB 3.26Å; I76-A80 WeakPolarHBondContact O-CB 3.41Å; I76-A80 PolarHBondContact O-N 2.88Å; L77-A80 PolarHBondContact O-N 3.18Å; Q78-A80 VanDerWaalsContact C-N 3.35Å; Q78-A80 PolarHBondContact O-N 3.37Å; A80-S82 VanDerWaalsContact C-N 3.34Å; A80-Q88 WeakPolarHBondContact O-CG 3.22Å; A80-Q88 PolarHBondContact O-NE2 3.2Å; A80-A91 HydrophobicContact CB-CB 3.96Å; A80-I115 HydrophobicContact CB-CD1 3.86Å; A80-I118 HydrophobicContact CB-CG2 3.81Å; A80-I118 WeakPolarHBondContact O-CG2 3.49Å |
| 81 | T | 92.7 | Very high | 90.4 | Very high | 82 Ų | 82 | 62 Ų | 62 | 50% | 0.503 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -1.3 | 172.4 | 65.2 | 0 | 0 | 0 | 0 | 114.6 | L77 Q78 N79 I118 | L77-T81 PolarHBondContact O-N 3.28Å; Q78-T81 PolarHBondContact O-N 3.42Å; Q78-T81 PolarHBondContact O-OG1 3.33Å; N79-T81 PolarHBondContact O-N 2.88Å; T81-I118 HydrophobicContact CG2-CD1 3.44Å; T81-I118 VanDerWaalsContact CG2-CD1 3.44Å; T81-I118 HydrophobicContact CG2-CG1 4.03Å |
| 82 | S | 93.5 | Very high | 92 | Very high | 33 Ų | 33 | 59.8 Ų | 59.8 | 23% | 0.231 | 34% | 0.339 | C | S | . | . | trans | -65.2 | 138.7 | -177.7 | -169.1 | 0 | 0 | 0 | 0 | 112 | N79 A80 N84 | N79-S82 WeakPolarHBondContact O-CB 3.26Å; N79-S82 PolarHBondContact O-N 3.12Å; A80-S82 VanDerWaalsContact C-N 3.34Å; S82-N84 PolarHBondContact O-N 3.03Å; S82-N84 PolarHBondContact OG-N 3.18Å | ||
| 83 | D | 91.4 | Very high | 92.5 | Very high | 173 Ų | 173 | 58.9 Ų | 58.9 | 93% | 0.925 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -70.8 | -12.7 | 169.8 | -63.5 | -43.1 | 0 | 0 | 0 | 112.4 | A85 | D83-A85 PolarHBondContact O-N 3.45Š|
| 84 | N | 94.1 | Very high | 93 | Very high | 80 Ų | 80 | 56.6 Ų | 56.6 | 43% | 0.428 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -80.5 | 111.8 | 174.4 | -175.8 | -37.1 | 0 | 0 | 0 | 110 | S82 V86 I87 Q88 | S82-N84 PolarHBondContact O-N 3.03Å; S82-N84 PolarHBondContact OG-N 3.18Å; N84-V86 PolarHBondContact O-N 3.01Å; N84-V86 VanDerWaalsContact O-N 3.13Å; N84-V86 WeakPolarHBondContact OD1-CB 3.32Å; N84-V86 PolarHBondContact OD1-N 3.42Å; N84-I87 HydrophobicContact CB-CB 4.11Å; N84-I87 HydrophobicContact CB-CD1 3.88Å; N84-I87 HydrophobicContact CB-CG1 3.98Å; N84-I87 PolarHBondContact O-N 2.98Å; N84-I87 PolarHBondContact OD1-N 3.47Å; N84-Q88 PolarHBondContact O-N 2.78Å |
| 85 | A | 92.1 | Very high | 93.2 | Very high | 41 Ų | 41 | 50.8 Ų | 50.8 | 34% | 0.339 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -54.5 | -33.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | D83 L89 | D83-A85 PolarHBondContact O-N 3.45Å; A85-L89 WeakPolarHBondContact O-CB 3.41Å; A85-L89 PolarHBondContact O-N 3.3Å |
| 86 | V | 94.2 | Very high | 93.4 | Very high | 110 Ų | 110 | 50.2 Ų | 50.2 | 67% | 0.667 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -73.1 | -42.9 | 179.4 | -178.9 | 0 | 0 | 0 | 0 | 110.8 | N84 L89 S90 | N84-V86 PolarHBondContact O-N 3.01Å; N84-V86 VanDerWaalsContact O-N 3.13Å; N84-V86 WeakPolarHBondContact OD1-CB 3.32Å; N84-V86 PolarHBondContact OD1-N 3.42Å; V86-L89 PolarHBondContact O-N 2.92Å; V86-S90 WeakPolarHBondContact O-CB 3.15Å; V86-S90 PolarHBondContact O-N 3.31Å |
| 87 | I | 94.6 | Very high | 93.3 | Very high | 67 Ų | 67 | 53.8 Ų | 53.8 | 34% | 0.344 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.9 | -44.9 | 178 | -62.1 | 179.6 | 0 | 0 | 0 | 110 | N79 N84 S90 A91 | N79-I87 HydrophobicContact CB-CG2 3.7Å; N84-I87 HydrophobicContact CB-CB 4.11Å; N84-I87 HydrophobicContact CB-CD1 3.88Å; N84-I87 HydrophobicContact CB-CG1 3.98Å; N84-I87 PolarHBondContact O-N 2.98Å; N84-I87 PolarHBondContact OD1-N 3.47Å; I87-S90 PolarHBondContact O-N 3.14Å; I87-A91 WeakPolarHBondContact O-CB 3.25Å; I87-A91 PolarHBondContact O-N 3.16Å |
| 88 | Q | 95.9 | Very high | 93.2 | Very high | 31 Ų | 31 | 54.9 Ų | 54.9 | 15% | 0.145 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.4 | -47.7 | 176.6 | 178 | 172.6 | 66 | 0 | 0 | 111.7 | A80 N84 S90 A91 V92 L131 | A80-Q88 WeakPolarHBondContact O-CG 3.22Å; A80-Q88 PolarHBondContact O-NE2 3.2Å; N84-Q88 PolarHBondContact O-N 2.78Å; Q88-S90 PolarHBondContact O-N 3.44Å; Q88-A91 PolarHBondContact O-N 2.91Å; Q88-V92 WeakPolarHBondContact O-CG2 3.47Å; Q88-V92 PolarHBondContact O-N 2.66Å; Q88-L131 HydrophobicContact CG-CD1 4.02Å; Q88-L131 HydrophobicContact CG-CD2 4.22Å |
| 89 | L | 94.4 | Very high | 93 | Very high | 36 Ų | 36 | 48.7 Ų | 48.7 | 19% | 0.188 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.5 | -47.7 | 178 | 178.3 | 62.6 | 0 | 0 | 0 | 111.5 | A85 V86 A91 V92 Q93 L131 E134 | A85-L89 WeakPolarHBondContact O-CB 3.41Å; A85-L89 PolarHBondContact O-N 3.3Å; V86-L89 PolarHBondContact O-N 2.92Å; L89-A91 VanDerWaalsContact C-N 3.28Å; L89-A91 PolarHBondContact O-N 2.67Å; L89-V92 PolarHBondContact O-N 3.06Å; L89-Q93 HydrophobicContact CD1-CG 4.35Å; L89-Q93 WeakPolarHBondContact O-CB 3.47Å; L89-Q93 VanDerWaalsContact O-CG 3.32Å; L89-Q93 WeakPolarHBondContact O-CG 3.46Å; L89-Q93 PolarHBondContact O-N 2.76Å; L89-L131 HydrophobicContact CD1-CB 4.21Å; L89-L131 HydrophobicContact CD1-CD1 4.27Å; L89-E134 HydrophobicContact CD1-CB 4.5Å; L89-E134 HydrophobicContact CD1-CG 4.06Å |
| 90 | S | 95.4 | Very high | 92.4 | Very high | 54 Ų | 54 | 47.6 Ų | 47.6 | 38% | 0.378 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.2 | -38.3 | 178.2 | -178.9 | 0 | 0 | 0 | 0 | 112.2 | V86 I87 Q88 A94 | V86-S90 WeakPolarHBondContact O-CB 3.15Å; V86-S90 PolarHBondContact O-N 3.31Å; I87-S90 PolarHBondContact O-N 3.14Å; Q88-S90 PolarHBondContact O-N 3.44Å; S90-A94 WeakPolarHBondContact O-CB 3.42Å; S90-A94 PolarHBondContact O-N 3.01Å |
| 91 | A | 95.1 | Very high | 91.5 | Very high | 5 Ų | 5 | 50.6 Ų | 50.6 | 4% | 0.041 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.8 | -43.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | I76 N79 A80 I87 Q88 L89 Q93 A94 A95 | I76-A91 WeakPolarHBondContact CG2-O 3.37Å; N79-A91 HydrophobicContact CB-CB 3.62Å; A80-A91 HydrophobicContact CB-CB 3.96Å; I87-A91 WeakPolarHBondContact O-CB 3.25Å; I87-A91 PolarHBondContact O-N 3.16Å; Q88-A91 PolarHBondContact O-N 2.91Å; L89-A91 VanDerWaalsContact C-N 3.28Å; L89-A91 PolarHBondContact O-N 2.67Å; A91-Q93 VanDerWaalsContact C-N 3.32Å; A91-Q93 PolarHBondContact O-N 3.2Å; A91-A94 WeakPolarHBondContact O-CB 3.38Å; A91-A94 PolarHBondContact O-N 3.27Å; A91-A95 PolarHBondContact O-N 3.29Å |
| 92 | V | 95.6 | Very high | 90 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.006 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.7 | -38.8 | 176.5 | 174.5 | 0 | 0 | 0 | 0 | 110.9 | Q88 L89 A95 R96 L119 L131 E134 A135 | Q88-V92 WeakPolarHBondContact O-CG2 3.47Å; Q88-V92 PolarHBondContact O-N 2.66Å; L89-V92 PolarHBondContact O-N 3.06Å; V92-A95 WeakPolarHBondContact O-CB 3.5Å; V92-A95 PolarHBondContact O-N 3.28Å; V92-R96 PolarHBondContact O-N 3.07Å; V92-L119 HydrophobicContact CG1-CD2 3.9Å; V92-L119 HydrophobicContact CG2-CD2 4.2Å; V92-L131 HydrophobicContact CB-CD1 4.08Å; V92-L131 HydrophobicContact CG1-CD1 4.4Å; V92-L131 HydrophobicContact CG2-CD1 3.85Å; V92-E134 HydrophobicContact CG1-CB 3.81Å; V92-A135 HydrophobicContact CG1-CB 4.05Å |
| 93 | Q | 94.7 | Very high | 88.4 | Confident | 63 Ų | 63 | 63.9 Ų | 63.9 | 29% | 0.294 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.1 | -44.4 | 171.4 | -79.4 | 178.9 | -29.5 | 0 | 0 | 112.3 | L89 A91 A95 R96 K97 E134 | L89-Q93 HydrophobicContact CD1-CG 4.35Å; L89-Q93 WeakPolarHBondContact O-CB 3.47Å; L89-Q93 VanDerWaalsContact O-CG 3.32Å; L89-Q93 WeakPolarHBondContact O-CG 3.46Å; L89-Q93 PolarHBondContact O-N 2.76Å; A91-Q93 VanDerWaalsContact C-N 3.32Å; A91-Q93 PolarHBondContact O-N 3.2Å; Q93-A95 VanDerWaalsContact C-N 3.34Å; Q93-A95 PolarHBondContact O-N 3.07Å; Q93-R96 PolarHBondContact O-N 3.42Å; Q93-K97 WeakPolarHBondContact O-CB 3.44Å; Q93-K97 WeakPolarHBondContact O-CG 3.27Å; Q93-K97 PolarHBondContact O-N 3.21Å; Q93-E134 HydrophobicContact CG-CB 4.24Å; Q93-E134 HydrophobicContact CG-CG 3.58Å; Q93-E134 WeakPolarHBondContact CG-OE1 3.4Å; Q93-E134 PolarHBondContact NE2-OE1 2.72Å |
| 94 | A | 92.4 | Very high | 87.4 | Confident | 5 Ų | 5 | 63 Ų | 63 | 4% | 0.041 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.8 | -44.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | F66 I76 S90 A91 R96 K97 L98 | F66-A94 HydrophobicContact CE1-CB 4.09Å; F66-A94 HydrophobicContact CZ-CB 3.86Å; I76-A94 HydrophobicContact CD1-CB 3.95Å; I76-A94 HydrophobicContact CG1-CB 4.14Å; S90-A94 WeakPolarHBondContact O-CB 3.42Å; S90-A94 PolarHBondContact O-N 3.01Å; A91-A94 WeakPolarHBondContact O-CB 3.38Å; A91-A94 PolarHBondContact O-N 3.27Å; A94-R96 PolarHBondContact O-N 2.87Å; A94-K97 PolarHBondContact O-N 3.27Å; A94-L98 WeakPolarHBondContact O-CG 3.47Å; A94-L98 PolarHBondContact O-N 2.92Å |
| 95 | A | 91.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.6 | -45.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | I76 A91 V92 Q93 L98 L99 L110 | I76-A95 HydrophobicContact CG2-CB 3.98Å; A91-A95 PolarHBondContact O-N 3.29Å; V92-A95 WeakPolarHBondContact O-CB 3.5Å; V92-A95 PolarHBondContact O-N 3.28Å; Q93-A95 VanDerWaalsContact C-N 3.34Å; Q93-A95 PolarHBondContact O-N 3.07Å; A95-L98 PolarHBondContact O-N 3.12Å; A95-L99 WeakPolarHBondContact O-CG 3.49Å; A95-L99 PolarHBondContact O-N 3.21Å; A95-L110 HydrophobicContact CB-CD2 4.45Å |
| 96 | R | 92.7 | Very high | 86.7 | Confident | 14 Ų | 14 | 61.3 Ų | 61.3 | 5% | 0.053 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.1 | -49 | 174.6 | -176.4 | -149.2 | 53.7 | 89.9 | -15.9 | 111.6 | V92 Q93 A94 L98 L99 S100 E134 W137 A138 | V92-R96 PolarHBondContact O-N 3.07Å; Q93-R96 PolarHBondContact O-N 3.42Å; A94-R96 PolarHBondContact O-N 2.87Å; R96-L98 VanDerWaalsContact C-N 3.29Å; R96-L98 PolarHBondContact O-N 3.47Å; R96-L99 WeakPolarHBondContact O-CA 3.35Å; R96-L99 WeakPolarHBondContact O-CB 3.5Å; R96-L99 PolarHBondContact O-N 3.26Å; R96-S100 PolarHBondContact NH1-OG 2.98Å; R96-S100 PolarHBondContact O-N 3.4Å; R96-S100 PolarHBondContact O-OG 3.08Å; R96-E134 WeakPolarHBondContact CD-OE2 3.47Å; R96-E134 IonicContact NE-OE2 3.93Å; R96-E134 PolarHBondContact NE-OE2 2.71Å; R96-W137 HydrophobicContact CG-CB 4.11Å; R96-W137 HydrophobicContact CG-CD2 4.19Å; R96-W137 HydrophobicContact CG-CG 3.92Å; R96-A138 HydrophobicContact CB-CB 4.14Å |
| 97 | K | 90.3 | Very high | 86.5 | Confident | 79 Ų | 79 | 56.6 Ų | 56.6 | 34% | 0.343 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.3 | -39.5 | -179.5 | -76.2 | -175 | 179.4 | -167.4 | 0 | 112 | D63 Q93 A94 L99 S100 | D63-K97 IonicContact OD1-NZ 3.88Å; Q93-K97 WeakPolarHBondContact O-CB 3.44Å; Q93-K97 WeakPolarHBondContact O-CG 3.27Å; Q93-K97 PolarHBondContact O-N 3.21Å; A94-K97 PolarHBondContact O-N 3.27Å; K97-L99 VanDerWaalsContact C-N 3.28Å; K97-L99 PolarHBondContact O-N 3.11Å; K97-S100 PolarHBondContact O-N 3.35Å |
| 98 | L | 88.4 | Confident | 86.3 | Confident | 71 Ų | 71 | 57.3 Ų | 57.3 | 37% | 0.372 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.7 | -37.2 | 173.7 | -72.7 | 175.3 | 0 | 0 | 0 | 112.7 | I76 A94 A95 R96 L110 | I76-L98 HydrophobicContact CD1-CD1 3.35Å; I76-L98 HydrophobicContact CD1-CG 4.39Å; A94-L98 WeakPolarHBondContact O-CG 3.47Å; A94-L98 PolarHBondContact O-N 2.92Å; A95-L98 PolarHBondContact O-N 3.12Å; R96-L98 VanDerWaalsContact C-N 3.29Å; R96-L98 PolarHBondContact O-N 3.47Å; L98-L110 HydrophobicContact CD1-CD1 4.49Å |
| 99 | L | 86.3 | Confident | 86.1 | Confident | 8 Ų | 8 | 60 Ų | 60 | 4% | 0.042 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -78.2 | -22.3 | 180 | -67.2 | 166.7 | 0 | 0 | 0 | 113.7 | A95 R96 K97 S101 P105 I107 L110 A138 N141 I142 | A95-L99 WeakPolarHBondContact O-CG 3.49Å; A95-L99 PolarHBondContact O-N 3.21Å; R96-L99 WeakPolarHBondContact O-CA 3.35Å; R96-L99 WeakPolarHBondContact O-CB 3.5Å; R96-L99 PolarHBondContact O-N 3.26Å; K97-L99 VanDerWaalsContact C-N 3.28Å; K97-L99 PolarHBondContact O-N 3.11Å; L99-S101 VanDerWaalsContact C-N 3.31Å; L99-P105 WeakPolarHBondContact O-CB 3.4Å; L99-I107 HydrophobicContact CD2-CB 4.39Å; L99-I107 HydrophobicContact CD2-CG1 3.81Å; L99-L110 HydrophobicContact CD1-CD2 3.6Å; L99-L110 HydrophobicContact CD2-CD2 3.94Å; L99-L110 HydrophobicContact CG-CD2 3.85Å; L99-A138 HydrophobicContact CD1-CB 4.05Å; L99-A138 WeakPolarHBondContact CD1-O 3.36Å; L99-N141 HydrophobicContact CB-CB 3.75Å; L99-N141 HydrophobicContact CD1-CB 4.32Å; L99-I142 HydrophobicContact CD1-CD1 4.15Å; L99-I142 HydrophobicContact CD1-CG1 3.77Å; L99-I142 HydrophobicContact CD2-CG1 4.04Å |
| 100 | S | 81.7 | Confident | 85.9 | Confident | 47 Ų | 47 | 58.3 Ų | 58.3 | 33% | 0.329 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -0.6 | 179.2 | -71.9 | 0 | 0 | 0 | 0 | 114.1 | R96 K97 N141 | R96-S100 PolarHBondContact NH1-OG 2.98Å; R96-S100 PolarHBondContact O-N 3.4Å; R96-S100 PolarHBondContact O-OG 3.08Å; K97-S100 PolarHBondContact O-N 3.35Å; S100-N141 PolarHBondContact OG-ND2 3.08Å; S100-N141 VanDerWaalsContact OG-ND2 3.14Å |
| 101 | S | 74.3 | Confident | 85.7 | Confident | 62 Ų | 62 | 57.6 Ų | 57.6 | 43% | 0.434 | 30% | 0.298 | S | S | . | . | trans | -68.8 | 131.8 | -177.9 | 178.4 | 0 | 0 | 0 | 0 | 113 | L99 R103 | L99-S101 VanDerWaalsContact C-N 3.31Å; S101-R103 PolarHBondContact O-N 3.14Å; S101-R103 VanDerWaalsContact O-N 3.12Å | ||
| 102 | D | 60 | Low | 85.5 | Confident | 168 Ų | 168 | 64.9 Ų | 64.9 | 90% | 0.898 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -62.8 | -18.4 | -177.1 | -80.6 | -33.8 | 0 | 0 | 0 | 115 | ||
| 103 | R | 61.6 | Low | 85.3 | Confident | 226 Ų | 226 | 66.5 Ų | 66.5 | 85% | 0.853 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -117 | 90.9 | -176.1 | -69.3 | -171.5 | -180 | -167.1 | 1.3 | 111.2 | S101 | S101-R103 PolarHBondContact O-N 3.14Å; S101-R103 VanDerWaalsContact O-N 3.12Å |
| 104 | N | 69.6 | Low | 85.1 | Confident | 154 Ų | 154 | 65.2 Ų | 65.2 | 82% | 0.824 | 34% | 0.343 | S | S | * | . | trans | 54.6 | 71.5 | 168.8 | -159.9 | 41.8 | 0 | 0 | 0 | 112.6 | ||||
| 105 | P | 81.9 | Confident | 85.2 | Confident | 37 Ų | 37 | 65 Ų | 65 | 24% | 0.24 | 34% | 0.342 | C | S | . | . | trans | -56.6 | 142.3 | -178 | 23.4 | -33.2 | 0 | 0 | 0 | 110.6 | L99 I107 | L99-P105 WeakPolarHBondContact O-CB 3.4Å; P105-I107 HydrophobicContact CB-CG1 4.11Å; P105-I107 HydrophobicContact CG-CD1 3.98Å; P105-I107 HydrophobicContact CG-CG1 3.97Å; P105-I107 PolarHBondContact O-N 3.23Å | ||
| 106 | P | 88.8 | Confident | 85.3 | Confident | 49 Ų | 49 | 65.5 Ų | 65.5 | 32% | 0.318 | 34% | 0.344 | S | S | . | . | trans | -77.1 | 54.1 | -175.5 | 33.9 | -37.1 | 0 | 0 | 0 | 111.7 | D108 D109 L110 | P106-D108 PolarHBondContact O-N 3.17Å; P106-D109 HydrophobicContact CB-CB 4.29Å; P106-D109 PolarHBondContact O-N 3.34Å; P106-L110 WeakPolarHBondContact O-CB 3.47Å; P106-L110 PolarHBondContact O-N 2.81Å | ||
| 107 | I | 90.5 | Very high | 85.4 | Confident | 12 Ų | 12 | 68.2 Ų | 68.2 | 6% | 0.062 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59.5 | -47.5 | -174.1 | -59.6 | 175.6 | 0 | 0 | 0 | 110.4 | L99 P105 D109 L110 I111 I142 Q149 | L99-I107 HydrophobicContact CD2-CB 4.39Å; L99-I107 HydrophobicContact CD2-CG1 3.81Å; P105-I107 HydrophobicContact CB-CG1 4.11Å; P105-I107 HydrophobicContact CG-CD1 3.98Å; P105-I107 HydrophobicContact CG-CG1 3.97Å; P105-I107 PolarHBondContact O-N 3.23Å; I107-D109 VanDerWaalsContact C-N 3.34Å; I107-D109 PolarHBondContact O-N 2.84Å; I107-L110 PolarHBondContact O-N 3.48Å; I107-I111 HydrophobicContact CG2-CD1 3.85Å; I107-I111 HydrophobicContact CG2-CG1 4.41Å; I107-I111 VanDerWaalsContact O-CG1 3.3Å; I107-I111 WeakPolarHBondContact O-CG1 3.49Å; I107-I111 PolarHBondContact O-N 3.34Å; I107-I142 HydrophobicContact CG2-CB 4.38Å; I107-I142 HydrophobicContact CG2-CG1 4.34Å; I107-I142 HydrophobicContact CG2-CG2 3.93Å; I107-Q149 HydrophobicContact CG2-CB 3.97Å; I107-Q149 HydrophobicContact CG2-CG 3.63Å |
| 108 | D | 91.4 | Very high | 85.6 | Confident | 81 Ų | 81 | 65.7 Ų | 65.7 | 43% | 0.433 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.4 | -37.2 | -178.2 | -70.5 | -24.6 | 0 | 0 | 0 | 112.4 | P106 I111 K112 Q149 | P106-D108 PolarHBondContact O-N 3.17Å; D108-I111 PolarHBondContact O-N 3.18Å; D108-K112 WeakPolarHBondContact O-CB 3.27Å; D108-K112 WeakPolarHBondContact O-CD 3.27Å; D108-K112 WeakPolarHBondContact O-CG 3.32Å; D108-K112 PolarHBondContact O-N 3.23Å; D108-Q149 WeakPolarHBondContact OD1-CG 3.49Å; D108-Q149 PolarHBondContact OD1-NE2 2.89Å |
| 109 | D | 90.2 | Very high | 86 | Confident | 87 Ų | 87 | 62.3 Ų | 62.3 | 47% | 0.465 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -69.4 | -40.1 | 178.2 | -61.7 | -29.9 | 0 | 0 | 0 | 110.4 | L73 P106 I107 K112 S113 | L73-D109 HydrophobicContact CD2-CB 4.27Å; P106-D109 HydrophobicContact CB-CB 4.29Å; P106-D109 PolarHBondContact O-N 3.34Å; I107-D109 VanDerWaalsContact C-N 3.34Å; I107-D109 PolarHBondContact O-N 2.84Å; D109-K112 PolarHBondContact O-N 3.45Å; D109-K112 IonicContact OD1-NZ 3.05Å; D109-S113 PolarHBondContact O-N 2.78Å |
| 110 | L | 90.4 | Very high | 86.4 | Confident | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.01 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 174.7 | -148.4 | 87.2 | 0 | 0 | 0 | 111.4 | L73 A95 L98 L99 P106 I107 S113 I115 I142 | L73-L110 HydrophobicContact CD1-CD1 3.42Å; L73-L110 VanDerWaalsContact CD1-CD1 3.42Å; L73-L110 HydrophobicContact CD1-CG 4.41Å; A95-L110 HydrophobicContact CB-CD2 4.45Å; L98-L110 HydrophobicContact CD1-CD1 4.49Å; L99-L110 HydrophobicContact CD1-CD2 3.6Å; L99-L110 HydrophobicContact CD2-CD2 3.94Å; L99-L110 HydrophobicContact CG-CD2 3.85Å; P106-L110 WeakPolarHBondContact O-CB 3.47Å; P106-L110 PolarHBondContact O-N 2.81Å; I107-L110 PolarHBondContact O-N 3.48Å; L110-S113 PolarHBondContact O-N 3.16Å; L110-S113 PolarHBondContact O-OG 3.35Å; L110-I115 HydrophobicContact CD2-CG2 3.77Å; L110-I115 HydrophobicContact CG-CB 4.48Å; L110-I115 HydrophobicContact CG-CG2 3.73Å; L110-I115 WeakPolarHBondContact O-CG2 3.32Å; L110-I142 HydrophobicContact CD2-CD1 4.31Å |
| 111 | I | 91.4 | Very high | 87.1 | Confident | 39 Ų | 39 | 67 Ų | 67 | 20% | 0.2 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.8 | -47.3 | 174.9 | -68.5 | 170 | 0 | 0 | 0 | 110.7 | I107 D108 S113 G114 L116 I142 Q149 A152 | I107-I111 HydrophobicContact CG2-CD1 3.85Å; I107-I111 HydrophobicContact CG2-CG1 4.41Å; I107-I111 VanDerWaalsContact O-CG1 3.3Å; I107-I111 WeakPolarHBondContact O-CG1 3.49Å; I107-I111 PolarHBondContact O-N 3.34Å; D108-I111 PolarHBondContact O-N 3.18Å; I111-S113 VanDerWaalsContact C-N 3.25Å; I111-S113 PolarHBondContact O-N 3.21Å; I111-G114 PolarHBondContact O-N 2.87Å; I111-L116 HydrophobicContact CG1-CD1 4.12Å; I111-L116 HydrophobicContact CG1-CG 4.47Å; I111-L116 HydrophobicContact CG2-CD1 4.04Å; I111-I142 HydrophobicContact CD1-CG2 3.91Å; I111-I142 HydrophobicContact CG1-CG2 4.18Å; I111-Q149 HydrophobicContact CD1-CB 4.02Å; I111-Q149 HydrophobicContact CD1-CG 3.83Å; I111-A152 HydrophobicContact CD1-CB 4.04Å; I111-A152 HydrophobicContact CG2-CB 4.27Å |
| 112 | K | 91.6 | Very high | 88.1 | Confident | 158 Ų | 158 | 64.1 Ų | 64.1 | 69% | 0.687 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -63.4 | -28.6 | -179.9 | -73.2 | 166.9 | -166.5 | 162.9 | 0 | 113.2 | D108 D109 G114 | D108-K112 WeakPolarHBondContact O-CB 3.27Å; D108-K112 WeakPolarHBondContact O-CD 3.27Å; D108-K112 WeakPolarHBondContact O-CG 3.32Å; D108-K112 PolarHBondContact O-N 3.23Å; D109-K112 PolarHBondContact O-N 3.45Å; D109-K112 IonicContact OD1-NZ 3.05Å; K112-G114 PolarHBondContact O-N 2.99Å |
| 113 | S | 91.1 | Very high | 89.9 | Confident | 34 Ų | 34 | 56.1 Ų | 56.1 | 24% | 0.238 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.2 | -22.5 | 177.1 | 75.8 | 0 | 0 | 0 | 0 | 113.5 | L77 D109 L110 I111 I115 | L77-S113 WeakPolarHBondContact CD1-O 3.19Å; D109-S113 PolarHBondContact O-N 2.78Å; L110-S113 PolarHBondContact O-N 3.16Å; L110-S113 PolarHBondContact O-OG 3.35Å; I111-S113 VanDerWaalsContact C-N 3.25Å; I111-S113 PolarHBondContact O-N 3.21Å; S113-I115 PolarHBondContact OG-N 3.29Å |
| 114 | G | 91.1 | Very high | 91.5 | Very high | 36 Ų | 36 | 50.3 Ų | 50.3 | 37% | 0.371 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.3 | 19.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | I111 K112 L116 P117 | I111-G114 PolarHBondContact O-N 2.87Å; K112-G114 PolarHBondContact O-N 2.99Å; G114-L116 VanDerWaalsContact C-N 3.3Å; G114-L116 PolarHBondContact O-N 3.19Å; G114-P117 WeakPolarHBondContact O-CD 3.45Å |
| 115 | I | 93.2 | Very high | 92.6 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | trans | -67.1 | -27.5 | 179 | -156.8 | 67.6 | 0 | 0 | 0 | 113.3 | L77 A80 L110 S113 I118 L119 | L77-I115 HydrophobicContact CD1-CB 4.36Å; L77-I115 HydrophobicContact CD1-CD1 4.15Å; A80-I115 HydrophobicContact CB-CD1 3.86Å; L110-I115 HydrophobicContact CD2-CG2 3.77Å; L110-I115 HydrophobicContact CG-CB 4.48Å; L110-I115 HydrophobicContact CG-CG2 3.73Å; L110-I115 WeakPolarHBondContact O-CG2 3.32Å; S113-I115 PolarHBondContact OG-N 3.29Å; I115-I118 HydrophobicContact CD1-CD1 4.18Å; I115-I118 WeakPolarHBondContact O-CA 3.34Å; I115-I118 WeakPolarHBondContact O-CB 3.46Å; I115-I118 PolarHBondContact O-N 3.18Å; I115-L119 HydrophobicContact CG1-CD1 4.25Å; I115-L119 HydrophobicContact CG1-CD2 4.32Å; I115-L119 HydrophobicContact CG1-CG 4.01Å; I115-L119 HydrophobicContact CG2-CD1 3.96Å; I115-L119 HydrophobicContact CG2-CG 4.46Å; I115-L119 PolarHBondContact O-N 2.85Å | ||
| 116 | L | 94.6 | Very high | 93.1 | Very high | 11 Ų | 11 | 50.4 Ų | 50.4 | 6% | 0.058 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.1 | -51.6 | -169.6 | -79.8 | 177.9 | 0 | 0 | 0 | 113.6 | I111 G114 I118 L119 V120 L139 I142 A152 V153 L158 | I111-L116 HydrophobicContact CG1-CD1 4.12Å; I111-L116 HydrophobicContact CG1-CG 4.47Å; I111-L116 HydrophobicContact CG2-CD1 4.04Å; G114-L116 VanDerWaalsContact C-N 3.3Å; G114-L116 PolarHBondContact O-N 3.19Å; L116-I118 PolarHBondContact O-N 3.34Å; L116-L119 PolarHBondContact O-N 2.92Å; L116-V120 WeakPolarHBondContact O-CG2 3.21Å; L116-V120 PolarHBondContact O-N 2.9Å; L116-L139 HydrophobicContact CD2-CD2 3.66Å; L116-I142 HydrophobicContact CD2-CD1 3.63Å; L116-A152 HydrophobicContact CD1-CB 3.88Å; L116-V153 HydrophobicContact CD2-CG2 4.17Å; L116-L158 HydrophobicContact CB-CD1 4.11Å; L116-L158 HydrophobicContact CD1-CD1 4.31Å |
| 117 | P | 95 | Very high | 93.4 | Very high | 70 Ų | 70 | 53.2 Ų | 53.2 | 46% | 0.455 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -54.8 | -34 | 173.8 | -23.6 | 29.1 | 0 | 0 | 0 | 114 | G114 K121 L158 | G114-P117 WeakPolarHBondContact O-CD 3.45Å; P117-K121 WeakPolarHBondContact O-CB 3.4Å; P117-K121 PolarHBondContact O-N 3.22Å; P117-L158 HydrophobicContact CB-CD2 4.12Å; P117-L158 HydrophobicContact CG-CD2 3.76Å |
| 118 | I | 94.8 | Very high | 93.6 | Very high | 26 Ų | 26 | 53.8 Ų | 53.8 | 13% | 0.133 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -71.6 | -47 | -179.1 | -57.3 | 164.3 | 0 | 0 | 0 | 109.9 | L77 A80 T81 I115 L116 V120 K121 C122 | L77-I118 HydrophobicContact CD1-CD1 4.18Å; L77-I118 HydrophobicContact CG-CD1 4.22Å; A80-I118 HydrophobicContact CB-CG2 3.81Å; A80-I118 WeakPolarHBondContact O-CG2 3.49Å; T81-I118 HydrophobicContact CG2-CD1 3.44Å; T81-I118 VanDerWaalsContact CG2-CD1 3.44Å; T81-I118 HydrophobicContact CG2-CG1 4.03Å; I115-I118 HydrophobicContact CD1-CD1 4.18Å; I115-I118 WeakPolarHBondContact O-CA 3.34Å; I115-I118 WeakPolarHBondContact O-CB 3.46Å; I115-I118 PolarHBondContact O-N 3.18Å; L116-I118 PolarHBondContact O-N 3.34Å; I118-V120 VanDerWaalsContact C-N 3.32Å; I118-V120 PolarHBondContact O-N 2.91Å; I118-K121 PolarHBondContact O-N 3.19Å; I118-C122 PolarHBondContact O-N 3.05Å; I118-C122 PolarHBondContact O-SG 3.33Å |
| 119 | L | 96.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.4 | -43 | 176.7 | -63.7 | 177 | 0 | 0 | 0 | 111.6 | V92 I115 L116 C122 L123 A138 L139 I142 | V92-L119 HydrophobicContact CG1-CD2 3.9Å; V92-L119 HydrophobicContact CG2-CD2 4.2Å; I115-L119 HydrophobicContact CG1-CD1 4.25Å; I115-L119 HydrophobicContact CG1-CD2 4.32Å; I115-L119 HydrophobicContact CG1-CG 4.01Å; I115-L119 HydrophobicContact CG2-CD1 3.96Å; I115-L119 HydrophobicContact CG2-CG 4.46Å; I115-L119 PolarHBondContact O-N 2.85Å; L116-L119 PolarHBondContact O-N 2.92Å; L119-C122 WeakPolarHBondContact O-CB 3.45Å; L119-C122 PolarHBondContact O-N 3.42Å; L119-L123 PolarHBondContact O-N 3.14Å; L119-A138 HydrophobicContact CD1-CB 3.9Å; L119-A138 HydrophobicContact CD2-CB 4.09Å; L119-L139 HydrophobicContact CB-CD1 4.14Å; L119-L139 HydrophobicContact CB-CD2 3.93Å; L119-L139 HydrophobicContact CB-CG 3.91Å; L119-L139 HydrophobicContact CD1-CD2 4.06Å; L119-L139 HydrophobicContact CD1-CG 4.26Å; L119-I142 HydrophobicContact CD1-CD1 4.13Å |
| 120 | V | 96.3 | Very high | 94.1 | Very high | 12 Ų | 12 | 50.4 Ų | 50.4 | 7% | 0.073 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.8 | -49.5 | 175.4 | 164.6 | 0 | 0 | 0 | 0 | 111.1 | L116 I118 C122 L123 L139 L158 A160 L163 | L116-V120 WeakPolarHBondContact O-CG2 3.21Å; L116-V120 PolarHBondContact O-N 2.9Å; I118-V120 VanDerWaalsContact C-N 3.32Å; I118-V120 PolarHBondContact O-N 2.91Å; V120-C122 PolarHBondContact O-N 2.64Å; V120-L123 VanDerWaalsContact O-CB 3.23Å; V120-L123 WeakPolarHBondContact O-CB 3.44Å; V120-L123 WeakPolarHBondContact O-CG 3.36Å; V120-L123 PolarHBondContact O-N 3.41Å; V120-L139 HydrophobicContact CG2-CD1 4.27Å; V120-L158 WeakPolarHBondContact CG1-O 3.46Å; V120-L158 HydrophobicContact CG2-CB 4.27Å; V120-A160 HydrophobicContact CG2-CB 3.88Å; V120-L163 HydrophobicContact CG1-CD1 3.67Å |
| 121 | K | 95.1 | Very high | 94.4 | Very high | 142 Ų | 142 | 50.3 Ų | 50.3 | 62% | 0.617 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -59.8 | -31.7 | 178.8 | -172.1 | 178.1 | -179.3 | -175.9 | 0 | 112 | P117 I118 L123 E124 | P117-K121 WeakPolarHBondContact O-CB 3.4Å; P117-K121 PolarHBondContact O-N 3.22Å; I118-K121 PolarHBondContact O-N 3.19Å; K121-L123 PolarHBondContact O-N 3.4Å; K121-E124 WeakPolarHBondContact O-CB 3.42Å; K121-E124 PolarHBondContact O-N 2.86Å; K121-E124 VanDerWaalsContact O-N 3.13Å |
| 122 | C | 96.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.007 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.2 | -26.5 | 174.4 | -67.5 | 0 | 0 | 0 | 0 | 113 | I118 L119 V120 E124 R125 L131 A135 | I118-C122 PolarHBondContact O-N 3.05Å; I118-C122 PolarHBondContact O-SG 3.33Å; L119-C122 WeakPolarHBondContact O-CB 3.45Å; L119-C122 PolarHBondContact O-N 3.42Å; V120-C122 PolarHBondContact O-N 2.64Å; C122-E124 PolarHBondContact O-N 3.14Å; C122-R125 WeakPolarHBondContact O-CB 3.19Å; C122-R125 PolarHBondContact O-N 3.06Å; C122-L131 HydrophobicContact CB-CD1 4.21Å; C122-L131 HydrophobicContact CB-CD2 4.24Å; C122-L131 HydrophobicContact CB-CG 3.94Å; C122-A135 HydrophobicContact CB-CB 3.52Å |
| 123 | L | 96.5 | Very high | 95 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -19.2 | 174.2 | -54.6 | -179 | 0 | 0 | 0 | 112.9 | L119 V120 K121 R125 Q132 A135 A136 L139 L163 F164 R166 L167 | L119-L123 PolarHBondContact O-N 3.14Å; V120-L123 VanDerWaalsContact O-CB 3.23Å; V120-L123 WeakPolarHBondContact O-CB 3.44Å; V120-L123 WeakPolarHBondContact O-CG 3.36Å; V120-L123 PolarHBondContact O-N 3.41Å; K121-L123 PolarHBondContact O-N 3.4Å; L123-R125 VanDerWaalsContact C-N 3.28Å; L123-R125 PolarHBondContact O-N 2.98Å; L123-Q132 PolarHBondContact O-NE2 3.02Å; L123-A135 HydrophobicContact CD2-CB 3.97Å; L123-A136 HydrophobicContact CD2-CB 3.84Å; L123-L139 HydrophobicContact CD1-CD1 3.73Å; L123-L139 HydrophobicContact CD2-CD1 4.33Å; L123-L139 HydrophobicContact CG-CD1 4.16Å; L123-L163 HydrophobicContact CB-CB 4.17Å; L123-L163 HydrophobicContact CB-CD1 4.22Å; L123-L163 HydrophobicContact CD1-CB 3.97Å; L123-L163 HydrophobicContact CD1-CD1 4.48Å; L123-F164 HydrophobicContact CD1-CD1 4.26Å; L123-F164 HydrophobicContact CD1-CE1 3.92Å; L123-F164 HydrophobicContact CD1-CZ 4.11Å; L123-F164 HydrophobicContact CD2-CE1 4.4Å; L123-R166 PolarHBondContact O-NH2 2.93Å; L123-R166 VanDerWaalsContact O-NH2 3.09Å; L123-L167 HydrophobicContact CB-CD1 4.28Å; L123-L167 HydrophobicContact CD2-CD1 3.97Å |
| 124 | E | 95.1 | Very high | 95.3 | Very high | 105 Ų | 105 | 42.3 Ų | 42.3 | 49% | 0.491 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -13 | 178.6 | -59.4 | -178.4 | 156.6 | 0 | 0 | 113.3 | K121 C122 D126 L163 | K121-E124 WeakPolarHBondContact O-CB 3.42Å; K121-E124 PolarHBondContact O-N 2.86Å; K121-E124 VanDerWaalsContact O-N 3.13Å; C122-E124 PolarHBondContact O-N 3.14Å; E124-D126 VanDerWaalsContact C-N 3.32Å; E124-D126 PolarHBondContact O-N 3.14Å; E124-L163 HydrophobicContact CG-CD1 4.07Å; E124-L163 HydrophobicContact CG-CD2 3.89Å |
| 125 | R | 94.4 | Very high | 95.6 | Very high | 96 Ų | 96 | 40.6 Ų | 40.6 | 36% | 0.362 | 21% | 0.208 | S | C | . | . | trans | -82.4 | 71.1 | -170.8 | -59.7 | -70.7 | -71.7 | 138.9 | 11.3 | 111.8 | C122 L123 D127 N128 L131 Q132 | C122-R125 WeakPolarHBondContact O-CB 3.19Å; C122-R125 PolarHBondContact O-N 3.06Å; L123-R125 VanDerWaalsContact C-N 3.28Å; L123-R125 PolarHBondContact O-N 2.98Å; R125-D127 IonicContact CZ-OD1 3.36Å; R125-D127 IonicContact CZ-OD2 2.73Å; R125-D127 IonicContact NE-OD1 2.96Å; R125-D127 IonicContact NH1-OD1 3.63Å; R125-D127 PolarHBondContact NH1-OD1 2.84Å; R125-D127 VanDerWaalsContact NH1-OD1 3.1Å; R125-D127 IonicContact NH1-OD2 3.13Å; R125-D127 PolarHBondContact NH1-OD2 2.88Å; R125-D127 VanDerWaalsContact NH1-OD2 3.14Å; R125-D127 IonicContact NH2-OD1 3.1Å; R125-D127 PolarHBondContact NH2-OD1 3.17Å; R125-D127 IonicContact NH2-OD2 3.14Å; R125-D127 PolarHBondContact NH2-OD2 3.18Å; R125-D127 PolarHBondContact O-N 3.28Å; R125-D127 VanDerWaalsContact O-N 3.09Å; R125-N128 HydrophobicContact CB-CB 4.33Å; R125-N128 CarbonylContact O-C 3.46Å; R125-N128 PolarHBondContact O-N 3.36Å; R125-L131 HydrophobicContact CB-CD2 4.26Å; R125-L131 HydrophobicContact CG-CD2 4.01Å; R125-Q132 VanDerWaalsContact O-CD 3.24Å; R125-Q132 WeakPolarHBondContact O-CG 3.37Å | ||
| 126 | D | 92.5 | Very high | 95.8 | Very high | 96 Ų | 96 | 40.5 Ų | 40.5 | 51% | 0.513 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -18.6 | 179.4 | -58.4 | -30.2 | 0 | 0 | 0 | 112.9 | E124 N128 Q132 R166 | E124-D126 VanDerWaalsContact C-N 3.32Å; E124-D126 PolarHBondContact O-N 3.14Å; D126-N128 VanDerWaalsContact C-N 3.34Å; D126-Q132 PolarHBondContact OD1-NE2 3.39Å; D126-R166 IonicContact OD1-CZ 2.9Å; D126-R166 IonicContact OD1-NH1 3.79Å; D126-R166 PolarHBondContact OD1-NH1 3.37Å; D126-R166 IonicContact OD1-NH2 3.38Å; D126-R166 PolarHBondContact OD1-NH2 3.41Å; D126-R166 IonicContact OD2-CZ 3.62Å; D126-R166 IonicContact OD2-NH1 3.78Å; D126-R166 PolarHBondContact OD2-NH1 3.37Å; D126-R166 IonicContact OD2-NH2 3.21Å |
| 127 | D | 93.9 | Very high | 95.8 | Very high | 109 Ų | 109 | 41.7 Ų | 41.7 | 58% | 0.583 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -8.3 | 172.9 | 63.1 | -35.8 | 0 | 0 | 0 | 114 | R125 | R125-D127 IonicContact CZ-OD1 3.36Å; R125-D127 IonicContact CZ-OD2 2.73Å; R125-D127 IonicContact NE-OD1 2.96Å; R125-D127 IonicContact NH1-OD1 3.63Å; R125-D127 PolarHBondContact NH1-OD1 2.84Å; R125-D127 VanDerWaalsContact NH1-OD1 3.1Å; R125-D127 IonicContact NH1-OD2 3.13Å; R125-D127 PolarHBondContact NH1-OD2 2.88Å; R125-D127 VanDerWaalsContact NH1-OD2 3.14Å; R125-D127 IonicContact NH2-OD1 3.1Å; R125-D127 PolarHBondContact NH2-OD1 3.17Å; R125-D127 IonicContact NH2-OD2 3.14Å; R125-D127 PolarHBondContact NH2-OD2 3.18Å; R125-D127 PolarHBondContact O-N 3.28Å; R125-D127 VanDerWaalsContact O-N 3.09Å |
| 128 | N | 95.1 | Very high | 95.8 | Very high | 24 Ų | 24 | 38.3 Ų | 38.3 | 13% | 0.128 | 19% | 0.19 | C | C | . | . | trans | -137.5 | 79.6 | -178.2 | -168.4 | -15.6 | 0 | 0 | 0 | 112 | R125 D126 S130 L131 Q132 | R125-N128 HydrophobicContact CB-CB 4.33Å; R125-N128 CarbonylContact O-C 3.46Å; R125-N128 PolarHBondContact O-N 3.36Å; D126-N128 VanDerWaalsContact C-N 3.34Å; N128-S130 VanDerWaalsContact C-N 3.28Å; N128-S130 PolarHBondContact O-N 3.25Å; N128-L131 HydrophobicContact CB-CB 4.02Å; N128-L131 VanDerWaalsContact CG-CB 3.4Å; N128-L131 WeakPolarHBondContact ND2-CB 3.43Å; N128-L131 PolarHBondContact O-N 3.1Å; N128-L131 VanDerWaalsContact O-N 3.13Å; N128-L131 WeakPolarHBondContact OD1-CB 3.4Å; N128-L131 PolarHBondContact OD1-N 2.86Å; N128-L131 VanDerWaalsContact OD1-N 3.09Å; N128-Q132 PolarHBondContact O-N 3.42Å | ||
| 129 | P | 95.8 | Very high | 95.9 | Very high | 32 Ų | 32 | 37.1 Ų | 37.1 | 21% | 0.208 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.6 | -28.9 | -177.4 | 25.5 | -35.4 | 0 | 0 | 0 | 113.6 | Q132 F133 H172 V175 | P129-Q132 PolarHBondContact O-N 3.32Å; P129-F133 VanDerWaalsContact O-CB 3.3Å; P129-F133 WeakPolarHBondContact O-CB 3.45Å; P129-F133 PolarHBondContact O-N 3.38Å; P129-H172 HydrophobicContact CB-CB 4.28Å; P129-H172 VanDerWaalsContact CB-CD2 3.48Å; P129-H172 WeakPolarHBondContact CB-CD2 3.26Å; P129-V175 HydrophobicContact CB-CG2 4.14Å; P129-V175 WeakPolarHBondContact O-CG2 3.42Å |
| 130 | S | 96.6 | Very high | 95.9 | Very high | 65 Ų | 65 | 37.1 Ų | 37.1 | 46% | 0.455 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -64 | -42.1 | 174.2 | -60.3 | 0 | 0 | 0 | 0 | 111.4 | N128 F133 E134 | N128-S130 VanDerWaalsContact C-N 3.28Å; N128-S130 PolarHBondContact O-N 3.25Å; S130-F133 PolarHBondContact O-N 3.47Å; S130-E134 VanDerWaalsContact O-CG 3.29Å; S130-E134 WeakPolarHBondContact O-CG 3.32Å; S130-E134 PolarHBondContact O-N 3.01Å; S130-E134 VanDerWaalsContact O-N 3.1Å |
| 131 | L | 96.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.8 | -42.2 | 175.3 | -180 | 65.3 | 0 | 0 | 0 | 111.9 | Q88 L89 V92 C122 R125 N128 F133 E134 A135 | Q88-L131 HydrophobicContact CG-CD1 4.02Å; Q88-L131 HydrophobicContact CG-CD2 4.22Å; L89-L131 HydrophobicContact CD1-CB 4.21Å; L89-L131 HydrophobicContact CD1-CD1 4.27Å; V92-L131 HydrophobicContact CB-CD1 4.08Å; V92-L131 HydrophobicContact CG1-CD1 4.4Å; V92-L131 HydrophobicContact CG2-CD1 3.85Å; C122-L131 HydrophobicContact CB-CD1 4.21Å; C122-L131 HydrophobicContact CB-CD2 4.24Å; C122-L131 HydrophobicContact CB-CG 3.94Å; R125-L131 HydrophobicContact CB-CD2 4.26Å; R125-L131 HydrophobicContact CG-CD2 4.01Å; N128-L131 HydrophobicContact CB-CB 4.02Å; N128-L131 VanDerWaalsContact CG-CB 3.4Å; N128-L131 WeakPolarHBondContact ND2-CB 3.43Å; N128-L131 PolarHBondContact O-N 3.1Å; N128-L131 VanDerWaalsContact O-N 3.13Å; N128-L131 WeakPolarHBondContact OD1-CB 3.4Å; N128-L131 PolarHBondContact OD1-N 2.86Å; N128-L131 VanDerWaalsContact OD1-N 3.09Å; L131-F133 VanDerWaalsContact C-N 3.32Å; L131-F133 PolarHBondContact O-N 2.91Å; L131-E134 PolarHBondContact O-N 2.95Å; L131-A135 VanDerWaalsContact O-CB 3.25Å; L131-A135 WeakPolarHBondContact O-CB 2.88Å; L131-A135 PolarHBondContact O-N 3.07Å |
| 132 | Q | 97.2 | Very high | 95.6 | Very high | 3 Ų | 3 | 30.3 Ų | 30.3 | 1% | 0.014 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.5 | -45 | 174.5 | -71.6 | -178.2 | -45.5 | 0 | 0 | 111.5 | L123 R125 D126 N128 P129 A136 V175 | L123-Q132 PolarHBondContact O-NE2 3.02Å; R125-Q132 VanDerWaalsContact O-CD 3.24Å; R125-Q132 WeakPolarHBondContact O-CG 3.37Å; D126-Q132 PolarHBondContact OD1-NE2 3.39Å; N128-Q132 PolarHBondContact O-N 3.42Å; P129-Q132 PolarHBondContact O-N 3.32Å; Q132-A136 WeakPolarHBondContact O-CB 2.98Å; Q132-A136 PolarHBondContact O-N 3.2Å; Q132-V175 HydrophobicContact CB-CG1 4.09Å; Q132-V175 HydrophobicContact CB-CG2 4.34Å |
| 133 | F | 97.2 | Very high | 95.5 | Very high | 39 Ų | 39 | 30.3 Ų | 30.3 | 17% | 0.171 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.9 | -51.7 | 178.6 | 176.1 | -104.2 | 0 | 0 | 0 | 112 | P129 S130 L131 A135 A136 W137 N174 V175 Q178 | P129-F133 VanDerWaalsContact O-CB 3.3Å; P129-F133 WeakPolarHBondContact O-CB 3.45Å; P129-F133 PolarHBondContact O-N 3.38Å; S130-F133 PolarHBondContact O-N 3.47Å; L131-F133 VanDerWaalsContact C-N 3.32Å; L131-F133 PolarHBondContact O-N 2.91Å; F133-A135 PolarHBondContact O-N 3.41Å; F133-A136 PolarHBondContact O-N 3.23Å; F133-W137 HydrophobicContact CD1-CE3 4.4Å; F133-W137 AromaticContact CE1-CE3 3.45Å; F133-W137 HydrophobicContact CE1-CE3 3.45Å; F133-W137 VanDerWaalsContact CE1-CE3 3.45Å; F133-W137 AromaticContact CE1-CZ3 3.69Å; F133-W137 HydrophobicContact CE1-CZ3 3.69Å; F133-W137 HydrophobicContact CE2-CE3 4.47Å; F133-W137 HydrophobicContact CZ-CD2 4.47Å; F133-W137 AromaticContact CZ-CE3 3.49Å; F133-W137 HydrophobicContact CZ-CE3 3.49Å; F133-W137 VanDerWaalsContact CZ-CE3 3.49Å; F133-W137 AromaticContact CZ-CZ3 3.69Å; F133-W137 HydrophobicContact CZ-CZ3 3.69Å; F133-W137 WeakPolarHBondContact O-CB 3.27Å; F133-W137 PolarHBondContact O-N 3.11Å; F133-N174 HydrophobicContact CD2-CB 4.02Å; F133-N174 WeakPolarHBondContact CD2-O 3.08Å; F133-N174 HydrophobicContact CE2-CB 4.07Å; F133-V175 HydrophobicContact CB-CG2 4.11Å; F133-Q178 HydrophobicContact CD2-CB 4.09Å; F133-Q178 HydrophobicContact CD2-CG 4.48Å; F133-Q178 HydrophobicContact CE2-CB 4.16Å; F133-Q178 HydrophobicContact CE2-CG 4.47Å |
| 134 | E | 97.3 | Very high | 95.1 | Very high | 20 Ų | 20 | 31.9 Ų | 31.9 | 9% | 0.093 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.5 | -38.9 | -178.6 | -65.1 | -74.7 | -177.7 | 0 | 0 | 112 | L89 V92 Q93 R96 S130 L131 W137 A138 | L89-E134 HydrophobicContact CD1-CB 4.5Å; L89-E134 HydrophobicContact CD1-CG 4.06Å; V92-E134 HydrophobicContact CG1-CB 3.81Å; Q93-E134 HydrophobicContact CG-CB 4.24Å; Q93-E134 HydrophobicContact CG-CG 3.58Å; Q93-E134 WeakPolarHBondContact CG-OE1 3.4Å; Q93-E134 PolarHBondContact NE2-OE1 2.72Å; R96-E134 WeakPolarHBondContact CD-OE2 3.47Å; R96-E134 IonicContact NE-OE2 3.93Å; R96-E134 PolarHBondContact NE-OE2 2.71Å; S130-E134 VanDerWaalsContact O-CG 3.29Å; S130-E134 WeakPolarHBondContact O-CG 3.32Å; S130-E134 PolarHBondContact O-N 3.01Å; S130-E134 VanDerWaalsContact O-N 3.1Å; L131-E134 PolarHBondContact O-N 2.95Å; E134-W137 PolarHBondContact O-N 3.4Å; E134-A138 WeakPolarHBondContact O-CB 3.16Å; E134-A138 PolarHBondContact O-N 3.44Å |
| 135 | A | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.3 | -44.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V92 C122 L123 L131 F133 W137 A138 L139 | V92-A135 HydrophobicContact CG1-CB 4.05Å; C122-A135 HydrophobicContact CB-CB 3.52Å; L123-A135 HydrophobicContact CD2-CB 3.97Å; L131-A135 VanDerWaalsContact O-CB 3.25Å; L131-A135 WeakPolarHBondContact O-CB 2.88Å; L131-A135 PolarHBondContact O-N 3.07Å; F133-A135 PolarHBondContact O-N 3.41Å; A135-W137 VanDerWaalsContact C-N 3.28Å; A135-W137 PolarHBondContact O-N 3.39Å; A135-A138 PolarHBondContact O-N 2.88Å; A135-L139 WeakPolarHBondContact O-CG 2.78Å; A135-L139 PolarHBondContact O-N 3.42Å |
| 136 | A | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.4 | -39.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L123 Q132 F133 L139 T140 F164 Q178 | L123-A136 HydrophobicContact CD2-CB 3.84Å; Q132-A136 WeakPolarHBondContact O-CB 2.98Å; Q132-A136 PolarHBondContact O-N 3.2Å; F133-A136 PolarHBondContact O-N 3.23Å; A136-L139 PolarHBondContact O-N 3.42Å; A136-T140 WeakPolarHBondContact O-CB 3.28Å; A136-T140 PolarHBondContact O-N 3.42Å; A136-T140 PolarHBondContact O-OG1 2.96Å; A136-F164 HydrophobicContact CB-CE1 3.97Å; A136-Q178 HydrophobicContact CB-CB 4.18Å; A136-Q178 HydrophobicContact CB-CG 3.63Å |
| 137 | W | 95.7 | Very high | 94.6 | Very high | 35 Ų | 35 | 25.3 Ų | 25.3 | 13% | 0.133 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.9 | -45 | 177.6 | -163.1 | -8.9 | 0 | 0 | 0 | 112 | R96 F133 E134 A135 L139 T140 N141 Q178 | R96-W137 HydrophobicContact CG-CB 4.11Å; R96-W137 HydrophobicContact CG-CD2 4.19Å; R96-W137 HydrophobicContact CG-CG 3.92Å; F133-W137 HydrophobicContact CD1-CE3 4.4Å; F133-W137 AromaticContact CE1-CE3 3.45Å; F133-W137 HydrophobicContact CE1-CE3 3.45Å; F133-W137 VanDerWaalsContact CE1-CE3 3.45Å; F133-W137 AromaticContact CE1-CZ3 3.69Å; F133-W137 HydrophobicContact CE1-CZ3 3.69Å; F133-W137 HydrophobicContact CE2-CE3 4.47Å; F133-W137 HydrophobicContact CZ-CD2 4.47Å; F133-W137 AromaticContact CZ-CE3 3.49Å; F133-W137 HydrophobicContact CZ-CE3 3.49Å; F133-W137 VanDerWaalsContact CZ-CE3 3.49Å; F133-W137 AromaticContact CZ-CZ3 3.69Å; F133-W137 HydrophobicContact CZ-CZ3 3.69Å; F133-W137 WeakPolarHBondContact O-CB 3.27Å; F133-W137 PolarHBondContact O-N 3.11Å; E134-W137 PolarHBondContact O-N 3.4Å; A135-W137 VanDerWaalsContact C-N 3.28Å; A135-W137 PolarHBondContact O-N 3.39Å; W137-L139 VanDerWaalsContact C-N 3.32Å; W137-L139 PolarHBondContact O-N 3.04Å; W137-T140 WeakPolarHBondContact O-CB 3.06Å; W137-T140 PolarHBondContact O-N 3.14Å; W137-T140 VanDerWaalsContact O-N 3.13Å; W137-N141 PolarHBondContact O-N 3.11Å; W137-Q178 HydrophobicContact CB-CG 3.99Å |
| 138 | A | 95.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -56.1 | -47.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | R96 L99 L119 E134 A135 T140 N141 I142 | R96-A138 HydrophobicContact CB-CB 4.14Å; L99-A138 HydrophobicContact CD1-CB 4.05Å; L99-A138 WeakPolarHBondContact CD1-O 3.36Å; L119-A138 HydrophobicContact CD1-CB 3.9Å; L119-A138 HydrophobicContact CD2-CB 4.09Å; E134-A138 WeakPolarHBondContact O-CB 3.16Å; E134-A138 PolarHBondContact O-N 3.44Å; A135-A138 PolarHBondContact O-N 2.88Å; A138-T140 VanDerWaalsContact C-N 3.33Å; A138-T140 PolarHBondContact O-N 2.95Å; A138-N141 PolarHBondContact O-N 3.03Å; A138-I142 WeakPolarHBondContact O-CG1 3.48Å; A138-I142 PolarHBondContact O-N 3.33Å; A138-I142 VanDerWaalsContact O-N 3.12Å |
| 139 | L | 96.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.5 | -35.7 | 176.9 | -70.1 | 169.2 | 0 | 0 | 0 | 112.8 | L116 L119 V120 L123 A135 A136 W137 N141 I142 A143 V153 F164 | L116-L139 HydrophobicContact CD2-CD2 3.66Å; L119-L139 HydrophobicContact CB-CD1 4.14Å; L119-L139 HydrophobicContact CB-CD2 3.93Å; L119-L139 HydrophobicContact CB-CG 3.91Å; L119-L139 HydrophobicContact CD1-CD2 4.06Å; L119-L139 HydrophobicContact CD1-CG 4.26Å; V120-L139 HydrophobicContact CG2-CD1 4.27Å; L123-L139 HydrophobicContact CD1-CD1 3.73Å; L123-L139 HydrophobicContact CD2-CD1 4.33Å; L123-L139 HydrophobicContact CG-CD1 4.16Å; A135-L139 WeakPolarHBondContact O-CG 2.78Å; A135-L139 PolarHBondContact O-N 3.42Å; A136-L139 PolarHBondContact O-N 3.42Å; W137-L139 VanDerWaalsContact C-N 3.32Å; W137-L139 PolarHBondContact O-N 3.04Å; L139-N141 VanDerWaalsContact C-N 3.34Å; L139-N141 PolarHBondContact O-N 3.04Å; L139-I142 PolarHBondContact O-N 2.93Å; L139-A143 WeakPolarHBondContact O-CB 3.31Å; L139-A143 PolarHBondContact O-N 3.16Å; L139-V153 HydrophobicContact CD2-CG1 4.29Å; L139-V153 HydrophobicContact CD2-CG2 4.38Å; L139-F164 HydrophobicContact CB-CZ 3.74Å; L139-F164 HydrophobicContact CD1-CZ 3.82Å; L139-F164 HydrophobicContact CG-CZ 4.44Å |
| 140 | T | 94.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.7 | -43.8 | 174.8 | -58.4 | 0 | 0 | 0 | 0 | 111.3 | A136 W137 A138 A143 S144 Q178 W181 A182 N185 | A136-T140 WeakPolarHBondContact O-CB 3.28Å; A136-T140 PolarHBondContact O-N 3.42Å; A136-T140 PolarHBondContact O-OG1 2.96Å; W137-T140 WeakPolarHBondContact O-CB 3.06Å; W137-T140 PolarHBondContact O-N 3.14Å; W137-T140 VanDerWaalsContact O-N 3.13Å; A138-T140 VanDerWaalsContact C-N 3.33Å; A138-T140 PolarHBondContact O-N 2.95Å; T140-A143 PolarHBondContact O-N 3.35Å; T140-S144 PolarHBondContact O-N 2.98Å; T140-Q178 VanDerWaalsContact CB-NE2 3.32Å; T140-Q178 PolarHBondContact OG1-NE2 3.04Å; T140-W181 HydrophobicContact CG2-CB 4.36Å; T140-W181 HydrophobicContact CG2-CD2 3.89Å; T140-W181 HydrophobicContact CG2-CE3 4.36Å; T140-W181 HydrophobicContact CG2-CG 3.89Å; T140-W181 HydrophobicContact CG2-CZ2 4.48Å; T140-A182 WeakPolarHBondContact OG1-CA 3.44Å; T140-A182 VanDerWaalsContact OG1-CB 3.27Å; T140-A182 WeakPolarHBondContact OG1-CB 3.16Å; T140-N185 WeakPolarHBondContact CG2-ND2 3.4Å; T140-N185 PolarHBondContact O-ND2 3.09Å; T140-N185 VanDerWaalsContact O-ND2 3.1Å |
| 141 | N | 92.8 | Very high | 94.4 | Very high | 10 Ų | 10 | 21.9 Ų | 21.9 | 5% | 0.053 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.3 | -38.7 | 178.4 | -68.6 | -11.3 | 0 | 0 | 0 | 111.3 | L99 S100 W137 A138 L139 S144 | L99-N141 HydrophobicContact CB-CB 3.75Å; L99-N141 HydrophobicContact CD1-CB 4.32Å; S100-N141 PolarHBondContact OG-ND2 3.08Å; S100-N141 VanDerWaalsContact OG-ND2 3.14Å; W137-N141 PolarHBondContact O-N 3.11Å; A138-N141 PolarHBondContact O-N 3.03Å; L139-N141 VanDerWaalsContact C-N 3.34Å; L139-N141 PolarHBondContact O-N 3.04Å; N141-S144 WeakPolarHBondContact O-CB 3.38Å; N141-S144 PolarHBondContact O-N 3.14Å; N141-S144 PolarHBondContact O-OG 2.6Å |
| 142 | I | 93.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.4 | -46.2 | 173.7 | -62.6 | 170.1 | 0 | 0 | 0 | 110.5 | L99 I107 L110 I111 L116 L119 A138 L139 S144 G145 Q149 V153 | L99-I142 HydrophobicContact CD1-CD1 4.15Å; L99-I142 HydrophobicContact CD1-CG1 3.77Å; L99-I142 HydrophobicContact CD2-CG1 4.04Å; I107-I142 HydrophobicContact CG2-CB 4.38Å; I107-I142 HydrophobicContact CG2-CG1 4.34Å; I107-I142 HydrophobicContact CG2-CG2 3.93Å; L110-I142 HydrophobicContact CD2-CD1 4.31Å; I111-I142 HydrophobicContact CD1-CG2 3.91Å; I111-I142 HydrophobicContact CG1-CG2 4.18Å; L116-I142 HydrophobicContact CD2-CD1 3.63Å; L119-I142 HydrophobicContact CD1-CD1 4.13Å; A138-I142 WeakPolarHBondContact O-CG1 3.48Å; A138-I142 PolarHBondContact O-N 3.33Å; A138-I142 VanDerWaalsContact O-N 3.12Å; L139-I142 PolarHBondContact O-N 2.93Å; I142-S144 PolarHBondContact O-N 3.09Å; I142-G145 PolarHBondContact O-N 3.08Å; I142-Q149 HydrophobicContact CG2-CB 4.4Å; I142-V153 HydrophobicContact CB-CG2 4.02Å; I142-V153 HydrophobicContact CG2-CG2 3.56Å |
| 143 | A | 92.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.008 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -68 | -16.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | L139 T140 G145 T150 N185 I186 | L139-A143 WeakPolarHBondContact O-CB 3.31Å; L139-A143 PolarHBondContact O-N 3.16Å; T140-A143 PolarHBondContact O-N 3.35Å; A143-G145 PolarHBondContact O-N 3.4Å; A143-T150 HydrophobicContact CB-CG2 4.33Å; A143-T150 PolarHBondContact O-OG1 3.23Å; A143-N185 HydrophobicContact CB-CB 4.01Å; A143-I186 HydrophobicContact CB-CG1 4.02Å |
| 144 | S | 89.9 | Confident | 93.9 | Very high | 33 Ų | 33 | 21 Ų | 21 | 23% | 0.231 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -12.7 | 174.8 | 80.4 | 0 | 0 | 0 | 0 | 113.5 | T140 N141 I142 | T140-S144 PolarHBondContact O-N 2.98Å; N141-S144 WeakPolarHBondContact O-CB 3.38Å; N141-S144 PolarHBondContact O-N 3.14Å; N141-S144 PolarHBondContact O-OG 2.6Å; I142-S144 PolarHBondContact O-N 3.09Å |
| 145 | G | 88.9 | Confident | 93.4 | Very high | 18 Ų | 18 | 26.1 Ų | 26.1 | 19% | 0.186 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -78.5 | -143.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115 | I142 A143 Q149 | I142-G145 PolarHBondContact O-N 3.08Å; A143-G145 PolarHBondContact O-N 3.4Å; G145-Q149 VanDerWaalsContact CA-OE1 3.25Å |
| 146 | T | 91.1 | Very high | 91.7 | Very high | 77 Ų | 77 | 30.7 Ų | 30.7 | 47% | 0.472 | 19% | 0.188 | S | C | . | . | trans | -72.9 | 160.1 | 176.9 | 69.8 | 0 | 0 | 0 | 0 | 111.3 | A148 Q149 T150 | T146-A148 PolarHBondContact O-N 2.96Å; T146-Q149 WeakPolarHBondContact O-CA 3.41Å; T146-Q149 WeakPolarHBondContact O-CB 3.46Å; T146-Q149 PolarHBondContact O-N 3.12Å; T146-Q149 WeakPolarHBondContact OG1-CG 3.28Å; T146-Q149 PolarHBondContact OG1-N 3.1Å; T146-Q149 PolarHBondContact OG1-OE1 3.47Å; T146-T150 PolarHBondContact O-N 3.24Å; T146-T150 PolarHBondContact O-OG1 2.99Å | ||
| 147 | S | 91.4 | Very high | 90.4 | Very high | 64 Ų | 64 | 36.5 Ų | 36.5 | 45% | 0.448 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.2 | -32.8 | 176.7 | -54.3 | 0 | 0 | 0 | 0 | 113.1 | Q149 T150 Q151 D189 | S147-Q149 VanDerWaalsContact C-N 3.29Å; S147-Q149 PolarHBondContact O-N 2.96Å; S147-T150 PolarHBondContact O-N 3.05Å; S147-Q151 VanDerWaalsContact O-CB 3.31Å; S147-Q151 WeakPolarHBondContact O-CB 3.4Å; S147-Q151 WeakPolarHBondContact O-CG 3.42Å; S147-Q151 PolarHBondContact O-N 3.22Å; S147-D189 VanDerWaalsContact CA-OD1 3.23Å; S147-D189 WeakPolarHBondContact CA-OD1 3.22Å; S147-D189 WeakPolarHBondContact CB-OD1 3.08Å; S147-D189 PolarHBondContact OG-OD1 3.05Å |
| 148 | A | 93.7 | Very high | 89.4 | Confident | 78 Ų | 78 | 35.9 Ų | 35.9 | 65% | 0.645 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -63 | -36.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | T146 A152 | T146-A148 PolarHBondContact O-N 2.96Å; A148-A152 PolarHBondContact O-N 3.17Å |
| 149 | Q | 93.9 | Very high | 89 | Confident | 15 Ų | 15 | 40.3 Ų | 40.3 | 7% | 0.07 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -74.1 | -41.9 | 177.9 | -65.6 | 162.4 | -16.6 | 0 | 0 | 111 | I107 D108 I111 I142 G145 T146 S147 A152 V153 | I107-Q149 HydrophobicContact CG2-CB 3.97Å; I107-Q149 HydrophobicContact CG2-CG 3.63Å; D108-Q149 WeakPolarHBondContact OD1-CG 3.49Å; D108-Q149 PolarHBondContact OD1-NE2 2.89Å; I111-Q149 HydrophobicContact CD1-CB 4.02Å; I111-Q149 HydrophobicContact CD1-CG 3.83Å; I142-Q149 HydrophobicContact CG2-CB 4.4Å; G145-Q149 VanDerWaalsContact CA-OE1 3.25Å; T146-Q149 WeakPolarHBondContact O-CA 3.41Å; T146-Q149 WeakPolarHBondContact O-CB 3.46Å; T146-Q149 PolarHBondContact O-N 3.12Å; T146-Q149 WeakPolarHBondContact OG1-CG 3.28Å; T146-Q149 PolarHBondContact OG1-N 3.1Å; T146-Q149 PolarHBondContact OG1-OE1 3.47Å; S147-Q149 VanDerWaalsContact C-N 3.29Å; S147-Q149 PolarHBondContact O-N 2.96Å; Q149-A152 WeakPolarHBondContact O-CB 3.5Å; Q149-A152 PolarHBondContact O-N 3.18Å; Q149-V153 PolarHBondContact O-N 3.19Å |
| 150 | T | 94.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.5 | -49.3 | 171.1 | -45.5 | 0 | 0 | 0 | 0 | 111.3 | A143 T146 S147 A152 V153 V154 I186 D189 | A143-T150 HydrophobicContact CB-CG2 4.33Å; A143-T150 PolarHBondContact O-OG1 3.23Å; T146-T150 PolarHBondContact O-N 3.24Å; T146-T150 PolarHBondContact O-OG1 2.99Å; S147-T150 PolarHBondContact O-N 3.05Å; T150-A152 PolarHBondContact O-N 3.47Å; T150-V153 WeakPolarHBondContact O-CB 3.48Å; T150-V153 PolarHBondContact O-N 3.3Å; T150-V154 HydrophobicContact CG2-CG2 4.36Å; T150-V154 WeakPolarHBondContact O-CG2 3.37Å; T150-V154 PolarHBondContact O-N 3.39Å; T150-V154 VanDerWaalsContact O-N 3.08Å; T150-I186 HydrophobicContact CG2-CB 4.47Å; T150-I186 HydrophobicContact CG2-CG1 4.16Å; T150-D189 HydrophobicContact CG2-CB 3.76Å; T150-D189 PolarHBondContact OG1-OD1 3.18Å |
| 151 | Q | 93.9 | Very high | 89 | Confident | 66 Ų | 66 | 40.4 Ų | 40.4 | 31% | 0.308 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.3 | -33.6 | 178.5 | -70.7 | -61.3 | -34.9 | 0 | 0 | 111.9 | S147 V153 V154 K155 C193 | S147-Q151 VanDerWaalsContact O-CB 3.31Å; S147-Q151 WeakPolarHBondContact O-CB 3.4Å; S147-Q151 WeakPolarHBondContact O-CG 3.42Å; S147-Q151 PolarHBondContact O-N 3.22Å; Q151-V153 PolarHBondContact O-N 3.21Å; Q151-V154 PolarHBondContact O-N 3.34Å; Q151-K155 WeakPolarHBondContact O-CG 3.45Å; Q151-K155 PolarHBondContact O-N 3Å; Q151-C193 PolarHBondContact NE2-SG 3.47Å |
| 152 | A | 94.5 | Very high | 89.2 | Confident | 8 Ų | 8 | 42.3 Ų | 42.3 | 7% | 0.066 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.7 | -34.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I111 L116 A148 Q149 T150 L158 | I111-A152 HydrophobicContact CD1-CB 4.04Å; I111-A152 HydrophobicContact CG2-CB 4.27Å; L116-A152 HydrophobicContact CD1-CB 3.88Å; A148-A152 PolarHBondContact O-N 3.17Å; Q149-A152 WeakPolarHBondContact O-CB 3.5Å; Q149-A152 PolarHBondContact O-N 3.18Å; T150-A152 PolarHBondContact O-N 3.47Å; A152-L158 VanDerWaalsContact O-CD1 3.29Å; A152-L158 WeakPolarHBondContact O-CD1 3.48Å |
| 153 | V | 94.8 | Very high | 89.4 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -74.5 | -38.8 | 173.8 | 179.5 | 0 | 0 | 0 | 0 | 111.5 | L116 L139 I142 Q149 T150 Q151 A160 F164 I186 | L116-V153 HydrophobicContact CD2-CG2 4.17Å; L139-V153 HydrophobicContact CD2-CG1 4.29Å; L139-V153 HydrophobicContact CD2-CG2 4.38Å; I142-V153 HydrophobicContact CB-CG2 4.02Å; I142-V153 HydrophobicContact CG2-CG2 3.56Å; Q149-V153 PolarHBondContact O-N 3.19Å; T150-V153 WeakPolarHBondContact O-CB 3.48Å; T150-V153 PolarHBondContact O-N 3.3Å; Q151-V153 PolarHBondContact O-N 3.21Å; V153-A160 HydrophobicContact CG1-CB 4.03Å; V153-A160 WeakPolarHBondContact O-CB 3.37Å; V153-F164 HydrophobicContact CG1-CE2 4.42Å; V153-I186 HydrophobicContact CG1-CD1 4.34Å |
| 154 | V | 92.2 | Very high | 89.6 | Confident | 15 Ų | 15 | 43 Ų | 43 | 9% | 0.091 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -77.4 | -20.6 | -174.8 | 177.2 | 0 | 0 | 0 | 0 | 113.3 | T150 Q151 S156 V161 I186 Y196 | T150-V154 HydrophobicContact CG2-CG2 4.36Å; T150-V154 WeakPolarHBondContact O-CG2 3.37Å; T150-V154 PolarHBondContact O-N 3.39Å; T150-V154 VanDerWaalsContact O-N 3.08Å; Q151-V154 PolarHBondContact O-N 3.34Å; V154-S156 PolarHBondContact O-N 3.15Å; V154-V161 HydrophobicContact CG1-CG2 4.49Å; V154-V161 HydrophobicContact CG2-CG2 4.34Å; V154-I186 HydrophobicContact CG2-CB 4.44Å; V154-I186 HydrophobicContact CG2-CD1 4.26Å; V154-I186 HydrophobicContact CG2-CG1 4.12Å; V154-I186 HydrophobicContact CG2-CG2 3.54Å; V154-Y196 HydrophobicContact CG1-CD1 3.8Å; V154-Y196 HydrophobicContact CG1-CE1 3.84Å |
| 155 | K | 85.9 | Confident | 90 | Very high | 126 Ų | 126 | 42.4 Ų | 42.4 | 55% | 0.548 | 25% | 0.253 | S | S | . | . | trans | -44.6 | 126.4 | -177.8 | -89.4 | 176.2 | -174.6 | -178.1 | 0 | 112 | Q151 N157 L158 | Q151-K155 WeakPolarHBondContact O-CG 3.45Å; Q151-K155 PolarHBondContact O-N 3Å; K155-N157 WeakPolarHBondContact CB-OD1 3.38Å; K155-N157 PolarHBondContact O-N 2.88Å; K155-L158 WeakPolarHBondContact O-CB 3.14Å; K155-L158 PolarHBondContact O-N 3.22Å | ||
| 156 | S | 61.8 | Low | 90.4 | Very high | 97 Ų | 97 | 46.4 Ų | 46.4 | 68% | 0.678 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -60.7 | -18.5 | -168.9 | 56.3 | 0 | 0 | 0 | 0 | 115.5 | V154 L158 | V154-S156 PolarHBondContact O-N 3.15Å; S156-L158 PolarHBondContact O-N 3.37Å |
| 157 | N | 69.6 | Low | 90.7 | Very high | 122 Ų | 122 | 42.9 Ų | 42.9 | 65% | 0.652 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -79.9 | -3.2 | 176.3 | 68.8 | -44.3 | 0 | 0 | 0 | 113.7 | K155 | K155-N157 WeakPolarHBondContact CB-OD1 3.38Å; K155-N157 PolarHBondContact O-N 2.88Å |
| 158 | L | 76.1 | Confident | 90.9 | Very high | 21 Ų | 21 | 40.2 Ų | 40.2 | 11% | 0.11 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -110.3 | -4.4 | -179.3 | -65.1 | 178.6 | 0 | 0 | 0 | 113.3 | L116 P117 V120 A152 K155 S156 A160 | L116-L158 HydrophobicContact CB-CD1 4.11Å; L116-L158 HydrophobicContact CD1-CD1 4.31Å; P117-L158 HydrophobicContact CB-CD2 4.12Å; P117-L158 HydrophobicContact CG-CD2 3.76Å; V120-L158 WeakPolarHBondContact CG1-O 3.46Å; V120-L158 HydrophobicContact CG2-CB 4.27Å; A152-L158 VanDerWaalsContact O-CD1 3.29Å; A152-L158 WeakPolarHBondContact O-CD1 3.48Å; K155-L158 WeakPolarHBondContact O-CB 3.14Å; K155-L158 PolarHBondContact O-N 3.22Å; S156-L158 PolarHBondContact O-N 3.37Å; L158-A160 PolarHBondContact O-N 3.35Å |
| 159 | D | 87.1 | Confident | 91 | Very high | 94 Ų | 94 | 43.1 Ų | 43.1 | 50% | 0.503 | 22% | 0.222 | S | C | . | . | trans | 45 | 22.6 | 176 | -68.1 | -35.7 | 0 | 0 | 0 | 117.2 | V161 P162 L163 | D159-V161 PolarHBondContact O-N 3.41Å; D159-P162 WeakPolarHBondContact O-CD 3.25Å; D159-L163 WeakPolarHBondContact O-CG 3.24Å; D159-L163 PolarHBondContact O-N 3.23Å | ||
| 160 | A | 94.9 | Very high | 91.1 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 2% | 0.017 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.9 | -41.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V120 V153 L158 L163 F164 | V120-A160 HydrophobicContact CG2-CB 3.88Å; V153-A160 HydrophobicContact CG1-CB 4.03Å; V153-A160 WeakPolarHBondContact O-CB 3.37Å; L158-A160 PolarHBondContact O-N 3.35Å; A160-L163 PolarHBondContact O-N 3.47Å; A160-F164 HydrophobicContact CB-CE2 4.24Å; A160-F164 WeakPolarHBondContact O-CD2 3.32Å; A160-F164 WeakPolarHBondContact O-CG 3.17Å; A160-F164 PolarHBondContact O-N 3.07Å |
| 161 | V | 96.5 | Very high | 91.1 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.2 | -49.9 | -179.4 | 178.8 | 0 | 0 | 0 | 0 | 111.9 | V154 D159 L163 F164 L165 L183 I186 Y196 V197 L200 | V154-V161 HydrophobicContact CG1-CG2 4.49Å; V154-V161 HydrophobicContact CG2-CG2 4.34Å; D159-V161 PolarHBondContact O-N 3.41Å; V161-L163 VanDerWaalsContact C-N 3.25Å; V161-L163 PolarHBondContact O-N 3.46Å; V161-F164 PolarHBondContact O-N 3.4Å; V161-L165 HydrophobicContact CG1-CD1 4.42Å; V161-L165 WeakPolarHBondContact O-CG 3.43Å; V161-L165 PolarHBondContact O-N 3.33Å; V161-L183 HydrophobicContact CG1-CD2 4.09Å; V161-I186 HydrophobicContact CG2-CD1 4.03Å; V161-I186 HydrophobicContact CG2-CG2 4.49Å; V161-Y196 HydrophobicContact CB-CE1 3.87Å; V161-Y196 HydrophobicContact CG1-CE1 4.07Å; V161-Y196 HydrophobicContact CG2-CD1 4.42Å; V161-Y196 HydrophobicContact CG2-CE1 3.84Å; V161-V197 HydrophobicContact CG1-CG1 4.45Å; V161-V197 HydrophobicContact CG1-CG2 3.83Å; V161-L200 HydrophobicContact CB-CD1 4.19Å; V161-L200 HydrophobicContact CG1-CD1 3.55Å |
| 162 | P | 96.7 | Very high | 91.2 | Very high | 49 Ų | 49 | 49.9 Ų | 49.9 | 32% | 0.318 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -51.9 | -41.4 | 170.1 | -29.2 | 34.1 | 0 | 0 | 0 | 113.9 | D159 L165 R166 L200 | D159-P162 WeakPolarHBondContact O-CD 3.25Å; P162-L165 PolarHBondContact O-N 3.12Å; P162-R166 PolarHBondContact O-N 3.05Å; P162-L200 HydrophobicContact CG-CD1 4.28Å |
| 163 | L | 97.4 | Very high | 91.1 | Very high | 17 Ų | 17 | 53.9 Ų | 53.9 | 9% | 0.089 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.1 | -42.3 | 177.9 | -70.4 | 169.5 | 0 | 0 | 0 | 112 | V120 L123 E124 D159 A160 V161 L165 R166 L167 | V120-L163 HydrophobicContact CG1-CD1 3.67Å; L123-L163 HydrophobicContact CB-CB 4.17Å; L123-L163 HydrophobicContact CB-CD1 4.22Å; L123-L163 HydrophobicContact CD1-CB 3.97Å; L123-L163 HydrophobicContact CD1-CD1 4.48Å; E124-L163 HydrophobicContact CG-CD1 4.07Å; E124-L163 HydrophobicContact CG-CD2 3.89Å; D159-L163 WeakPolarHBondContact O-CG 3.24Å; D159-L163 PolarHBondContact O-N 3.23Å; A160-L163 PolarHBondContact O-N 3.47Å; V161-L163 VanDerWaalsContact C-N 3.25Å; V161-L163 PolarHBondContact O-N 3.46Å; L163-L165 VanDerWaalsContact C-N 3.31Å; L163-L165 PolarHBondContact O-N 2.92Å; L163-R166 WeakPolarHBondContact O-CB 3.48Å; L163-R166 PolarHBondContact O-N 2.63Å; L163-R166 VanDerWaalsContact O-N 3.17Å; L163-L167 WeakPolarHBondContact O-CG 3.44Å; L163-L167 PolarHBondContact O-N 2.94Å |
| 164 | F | 98 | Very high | 91 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.5 | -40.6 | 173 | -72 | -53.2 | 0 | 0 | 0 | 112.5 | L123 A136 L139 V153 A160 V161 R166 L167 L168 A179 A182 L183 I186 | L123-F164 HydrophobicContact CD1-CD1 4.26Å; L123-F164 HydrophobicContact CD1-CE1 3.92Å; L123-F164 HydrophobicContact CD1-CZ 4.11Å; L123-F164 HydrophobicContact CD2-CE1 4.4Å; A136-F164 HydrophobicContact CB-CE1 3.97Å; L139-F164 HydrophobicContact CB-CZ 3.74Å; L139-F164 HydrophobicContact CD1-CZ 3.82Å; L139-F164 HydrophobicContact CG-CZ 4.44Å; V153-F164 HydrophobicContact CG1-CE2 4.42Å; A160-F164 HydrophobicContact CB-CE2 4.24Å; A160-F164 WeakPolarHBondContact O-CD2 3.32Å; A160-F164 WeakPolarHBondContact O-CG 3.17Å; A160-F164 PolarHBondContact O-N 3.07Å; V161-F164 PolarHBondContact O-N 3.4Å; F164-R166 VanDerWaalsContact C-N 3.32Å; F164-R166 PolarHBondContact O-N 3.13Å; F164-L167 HydrophobicContact CD1-CD1 4.45Å; F164-L167 PolarHBondContact O-N 3.12Å; F164-L167 VanDerWaalsContact O-N 3.16Å; F164-L168 PolarHBondContact O-N 2.91Å; F164-A179 HydrophobicContact CB-CB 4.47Å; F164-A179 HydrophobicContact CD1-CB 4.07Å; F164-A182 HydrophobicContact CD1-CB 3.8Å; F164-A182 HydrophobicContact CD2-CB 4.12Å; F164-A182 HydrophobicContact CE1-CB 3.48Å; F164-A182 VanDerWaalsContact CE1-CB 3.48Å; F164-A182 HydrophobicContact CE2-CB 3.83Å; F164-A182 HydrophobicContact CG-CB 4.12Å; F164-A182 HydrophobicContact CZ-CB 3.5Å; F164-L183 HydrophobicContact CB-CD1 4.14Å; F164-L183 HydrophobicContact CB-CD2 3.85Å; F164-L183 HydrophobicContact CB-CG 3.82Å; F164-I186 HydrophobicContact CD2-CD1 4.26Å; F164-I186 HydrophobicContact CE2-CD1 4.2Å |
| 165 | L | 97.2 | Very high | 91.2 | Very high | 20 Ų | 20 | 56.5 Ų | 56.5 | 11% | 0.105 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.4 | -38.2 | 175.7 | -68.1 | 172.2 | 0 | 0 | 0 | 112.3 | V161 P162 L163 L167 L168 H169 L183 L200 V202 | V161-L165 HydrophobicContact CG1-CD1 4.42Å; V161-L165 WeakPolarHBondContact O-CG 3.43Å; V161-L165 PolarHBondContact O-N 3.33Å; P162-L165 PolarHBondContact O-N 3.12Å; L163-L165 VanDerWaalsContact C-N 3.31Å; L163-L165 PolarHBondContact O-N 2.92Å; L165-L167 VanDerWaalsContact C-N 3.33Å; L165-L168 HydrophobicContact CD2-CD1 4.06Å; L165-L168 WeakPolarHBondContact O-CB 3.43Å; L165-L168 PolarHBondContact O-N 3.4Å; L165-H169 PolarHBondContact O-ND1 2.87Å; L165-L183 HydrophobicContact CD2-CD1 3.95Å; L165-L183 HydrophobicContact CD2-CD2 4.4Å; L165-L200 HydrophobicContact CD1-CB 3.35Å; L165-L200 HydrophobicContact CD1-CD1 4.09Å; L165-L200 HydrophobicContact CD1-CG 4.38Å; L165-V202 HydrophobicContact CD2-CB 3.67Å; L165-V202 HydrophobicContact CD2-CG2 3.59Å |
| 166 | R | 96.8 | Very high | 91.7 | Very high | 101 Ų | 101 | 50.8 Ų | 50.8 | 38% | 0.381 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.6 | -43 | 172.5 | -170.8 | 176 | 72.6 | 116.5 | 16.7 | 111.2 | L123 D126 P162 L163 F164 L168 H169 | L123-R166 PolarHBondContact O-NH2 2.93Å; L123-R166 VanDerWaalsContact O-NH2 3.09Å; D126-R166 IonicContact OD1-CZ 2.9Å; D126-R166 IonicContact OD1-NH1 3.79Å; D126-R166 PolarHBondContact OD1-NH1 3.37Å; D126-R166 IonicContact OD1-NH2 3.38Å; D126-R166 PolarHBondContact OD1-NH2 3.41Å; D126-R166 IonicContact OD2-CZ 3.62Å; D126-R166 IonicContact OD2-NH1 3.78Å; D126-R166 PolarHBondContact OD2-NH1 3.37Å; D126-R166 IonicContact OD2-NH2 3.21Å; P162-R166 PolarHBondContact O-N 3.05Å; L163-R166 WeakPolarHBondContact O-CB 3.48Å; L163-R166 PolarHBondContact O-N 2.63Å; L163-R166 VanDerWaalsContact O-N 3.17Å; F164-R166 VanDerWaalsContact C-N 3.32Å; F164-R166 PolarHBondContact O-N 3.13Å; R166-L168 PolarHBondContact O-N 2.87Å; R166-H169 PolarHBondContact O-N 3.27Å |
| 167 | L | 97.6 | Very high | 93.3 | Very high | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.016 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.4 | -17.7 | 179.9 | -67.4 | -179.1 | 0 | 0 | 0 | 114.3 | L123 L163 F164 L165 H169 S170 V175 A179 | L123-L167 HydrophobicContact CB-CD1 4.28Å; L123-L167 HydrophobicContact CD2-CD1 3.97Å; L163-L167 WeakPolarHBondContact O-CG 3.44Å; L163-L167 PolarHBondContact O-N 2.94Å; F164-L167 HydrophobicContact CD1-CD1 4.45Å; F164-L167 PolarHBondContact O-N 3.12Å; F164-L167 VanDerWaalsContact O-N 3.16Å; L165-L167 VanDerWaalsContact C-N 3.33Å; L167-H169 PolarHBondContact O-N 3.16Å; L167-H169 VanDerWaalsContact O-N 3.16Å; L167-S170 WeakPolarHBondContact O-CB 3.44Å; L167-S170 PolarHBondContact O-N 3.38Å; L167-V175 HydrophobicContact CB-CG1 4.28Å; L167-V175 HydrophobicContact CD1-CG1 4.07Å; L167-V175 HydrophobicContact CD2-CG1 3.79Å; L167-V175 HydrophobicContact CG-CG1 4.25Å; L167-A179 HydrophobicContact CB-CB 3.68Å; L167-A179 HydrophobicContact CD1-CB 4.46Å |
| 168 | L | 97.1 | Very high | 94.5 | Very high | 8 Ų | 8 | 42.9 Ų | 42.9 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -18.9 | 169.7 | -59.1 | -174.3 | 0 | 0 | 0 | 113.1 | F164 L165 R166 C176 A179 V180 L183 V202 P205 F209 | F164-L168 PolarHBondContact O-N 2.91Å; L165-L168 HydrophobicContact CD2-CD1 4.06Å; L165-L168 WeakPolarHBondContact O-CB 3.43Å; L165-L168 PolarHBondContact O-N 3.4Å; R166-L168 PolarHBondContact O-N 2.87Å; L168-C176 PolarHBondContact O-SG 3.39Å; L168-A179 HydrophobicContact CD2-CB 4.13Å; L168-V180 HydrophobicContact CD2-CB 4.42Å; L168-V180 HydrophobicContact CD2-CG2 3.38Å; L168-L183 HydrophobicContact CD1-CD1 3.91Å; L168-L183 HydrophobicContact CD2-CD1 4.03Å; L168-L183 HydrophobicContact CG-CD1 4.16Å; L168-V202 HydrophobicContact CD1-CG2 4.46Å; L168-P205 HydrophobicContact CB-CB 4.3Å; L168-P205 HydrophobicContact CD1-CB 3.59Å; L168-P205 HydrophobicContact CD1-CG 4.34Å; L168-F209 HydrophobicContact CB-CZ 4.42Å; L168-F209 HydrophobicContact CD2-CE2 4.48Å |
| 169 | H | 95.8 | Very high | 95.5 | Very high | 140 Ų | 140 | 41.9 Ų | 41.9 | 65% | 0.648 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | 9.5 | 177.3 | -54.5 | 87.2 | 0 | 0 | 0 | 112.4 | L165 R166 L167 | L165-H169 PolarHBondContact O-ND1 2.87Å; R166-H169 PolarHBondContact O-N 3.27Å; L167-H169 PolarHBondContact O-N 3.16Å; L167-H169 VanDerWaalsContact O-N 3.16Å |
| 170 | S | 95.8 | Very high | 96 | Very high | 23 Ų | 23 | 37.4 Ų | 37.4 | 16% | 0.161 | 19% | 0.192 | C | C | . | . | trans | -62.2 | 137.2 | 178.5 | -178.6 | 0 | 0 | 0 | 0 | 110.7 | L167 H172 | L167-S170 WeakPolarHBondContact O-CB 3.44Å; L167-S170 PolarHBondContact O-N 3.38Å; S170-H172 PolarHBondContact O-N 3.14Å; S170-H172 PolarHBondContact OG-N 3.33Å; S170-H172 VanDerWaalsContact OG-N 3.14Å | ||
| 171 | P | 94.5 | Very high | 96 | Very high | 122 Ų | 122 | 37.6 Ų | 37.6 | 79% | 0.792 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -68.8 | -12.7 | 171.2 | 31.2 | -35.7 | 0 | 0 | 0 | 112.2 | ||
| 172 | H | 95 | Very high | 95.9 | Very high | 77 Ų | 77 | 37.6 Ų | 37.6 | 36% | 0.356 | 19% | 0.192 | S | C | . | . | trans | -94.2 | 107.4 | 178.2 | -60.1 | -72.3 | 0 | 0 | 0 | 110.1 | P129 S170 N174 V175 C176 | P129-H172 HydrophobicContact CB-CB 4.28Å; P129-H172 VanDerWaalsContact CB-CD2 3.48Å; P129-H172 WeakPolarHBondContact CB-CD2 3.26Å; S170-H172 PolarHBondContact O-N 3.14Å; S170-H172 PolarHBondContact OG-N 3.33Å; S170-H172 VanDerWaalsContact OG-N 3.14Å; H172-N174 VanDerWaalsContact C-N 3.34Å; H172-N174 PolarHBondContact O-N 3.44Å; H172-V175 HydrophobicContact CB-CB 4.22Å; H172-V175 HydrophobicContact CB-CG2 3.91Å; H172-V175 WeakPolarHBondContact O-CB 3.44Å; H172-V175 PolarHBondContact O-N 3.15Å; H172-V175 VanDerWaalsContact O-N 3.1Å; H172-C176 PolarHBondContact O-N 3.44Å; H172-C176 VanDerWaalsContact O-N 3.1Å | ||
| 173 | Q | 91.9 | Very high | 96 | Very high | 93 Ų | 93 | 35.3 Ų | 35.3 | 44% | 0.435 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -56.4 | -44.7 | -174.7 | -176.2 | 175.9 | -11.5 | 0 | 0 | 112.8 | V175 C176 E177 | Q173-V175 VanDerWaalsContact C-N 3.29Å; Q173-V175 PolarHBondContact O-N 2.9Å; Q173-C176 WeakPolarHBondContact O-CB 3.25Å; Q173-C176 PolarHBondContact O-N 3.19Å; Q173-C176 VanDerWaalsContact O-N 3.12Å; Q173-E177 HydrophobicContact CG-CG 4.15Å; Q173-E177 VanDerWaalsContact CG-OE1 3.32Å; Q173-E177 WeakPolarHBondContact CG-OE1 3.42Å; Q173-E177 PolarHBondContact NE2-OE1 3.36Å; Q173-E177 WeakPolarHBondContact O-CG 3.36Å; Q173-E177 PolarHBondContact O-N 2.77Å |
| 174 | N | 93.1 | Very high | 95.8 | Very high | 71 Ų | 71 | 34.5 Ų | 34.5 | 38% | 0.38 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -58.6 | -37.8 | 178.2 | 63.7 | -31.6 | 0 | 0 | 0 | 113.3 | F133 H172 Q178 | F133-N174 HydrophobicContact CD2-CB 4.02Å; F133-N174 WeakPolarHBondContact CD2-O 3.08Å; F133-N174 HydrophobicContact CE2-CB 4.07Å; H172-N174 VanDerWaalsContact C-N 3.34Å; H172-N174 PolarHBondContact O-N 3.44Å; N174-Q178 WeakPolarHBondContact O-CB 3.38Å; N174-Q178 PolarHBondContact O-N 2.99Å |
| 175 | V | 96.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.8 | -44 | 175.7 | 178.9 | 0 | 0 | 0 | 0 | 110.5 | P129 Q132 F133 L167 H172 Q173 Q178 A179 | P129-V175 HydrophobicContact CB-CG2 4.14Å; P129-V175 WeakPolarHBondContact O-CG2 3.42Å; Q132-V175 HydrophobicContact CB-CG1 4.09Å; Q132-V175 HydrophobicContact CB-CG2 4.34Å; F133-V175 HydrophobicContact CB-CG2 4.11Å; L167-V175 HydrophobicContact CB-CG1 4.28Å; L167-V175 HydrophobicContact CD1-CG1 4.07Å; L167-V175 HydrophobicContact CD2-CG1 3.79Å; L167-V175 HydrophobicContact CG-CG1 4.25Å; H172-V175 HydrophobicContact CB-CB 4.22Å; H172-V175 HydrophobicContact CB-CG2 3.91Å; H172-V175 WeakPolarHBondContact O-CB 3.44Å; H172-V175 PolarHBondContact O-N 3.15Å; H172-V175 VanDerWaalsContact O-N 3.1Å; Q173-V175 VanDerWaalsContact C-N 3.29Å; Q173-V175 PolarHBondContact O-N 2.9Å; V175-Q178 PolarHBondContact O-N 2.94Å; V175-A179 WeakPolarHBondContact O-CB 3.24Å; V175-A179 PolarHBondContact O-N 2.98Å |
| 176 | C | 96.1 | Very high | 95.6 | Very high | 6 Ų | 6 | 33.6 Ų | 33.6 | 4% | 0.041 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.6 | -48.4 | 175.9 | 178.1 | 0 | 0 | 0 | 0 | 111.8 | L168 H172 Q173 Q178 A179 V180 F209 | L168-C176 PolarHBondContact O-SG 3.39Å; H172-C176 PolarHBondContact O-N 3.44Å; H172-C176 VanDerWaalsContact O-N 3.1Å; Q173-C176 WeakPolarHBondContact O-CB 3.25Å; Q173-C176 PolarHBondContact O-N 3.19Å; Q173-C176 VanDerWaalsContact O-N 3.12Å; C176-Q178 VanDerWaalsContact C-N 3.32Å; C176-Q178 PolarHBondContact O-N 3.11Å; C176-A179 PolarHBondContact O-N 2.64Å; C176-V180 PolarHBondContact O-N 2.86Å; C176-F209 WeakPolarHBondContact SG-CZ 3.49Å |
| 177 | E | 94.9 | Very high | 95.5 | Very high | 43 Ų | 43 | 28.8 Ų | 28.8 | 20% | 0.201 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.7 | -43.5 | 177.9 | -70.3 | -168.2 | -157 | 0 | 0 | 111.8 | Q173 A179 V180 W181 F218 | Q173-E177 HydrophobicContact CG-CG 4.15Å; Q173-E177 VanDerWaalsContact CG-OE1 3.32Å; Q173-E177 WeakPolarHBondContact CG-OE1 3.42Å; Q173-E177 PolarHBondContact NE2-OE1 3.36Å; Q173-E177 WeakPolarHBondContact O-CG 3.36Å; Q173-E177 PolarHBondContact O-N 2.77Å; E177-A179 VanDerWaalsContact C-N 3.34Å; E177-A179 PolarHBondContact O-N 2.7Å; E177-V180 PolarHBondContact O-N 3.07Å; E177-W181 PolarHBondContact O-N 3.3Å; E177-F218 HydrophobicContact CB-CD2 4.29Å; E177-F218 HydrophobicContact CB-CE2 4.35Å; E177-F218 HydrophobicContact CG-CB 4.1Å; E177-F218 HydrophobicContact CG-CD1 3.8Å; E177-F218 HydrophobicContact CG-CD2 3.52Å; E177-F218 HydrophobicContact CG-CE1 4.08Å; E177-F218 HydrophobicContact CG-CE2 3.79Å; E177-F218 HydrophobicContact CG-CG 3.54Å; E177-F218 HydrophobicContact CG-CZ 4.09Å |
| 178 | Q | 95.3 | Very high | 95.2 | Very high | 9 Ų | 9 | 29 Ų | 29 | 4% | 0.042 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.2 | -37.4 | 178.3 | -166.2 | 59 | 53.6 | 0 | 0 | 112.1 | F133 A136 W137 T140 N174 V175 C176 W181 A182 | F133-Q178 HydrophobicContact CD2-CB 4.09Å; F133-Q178 HydrophobicContact CD2-CG 4.48Å; F133-Q178 HydrophobicContact CE2-CB 4.16Å; F133-Q178 HydrophobicContact CE2-CG 4.47Å; A136-Q178 HydrophobicContact CB-CB 4.18Å; A136-Q178 HydrophobicContact CB-CG 3.63Å; W137-Q178 HydrophobicContact CB-CG 3.99Å; T140-Q178 VanDerWaalsContact CB-NE2 3.32Å; T140-Q178 PolarHBondContact OG1-NE2 3.04Å; N174-Q178 WeakPolarHBondContact O-CB 3.38Å; N174-Q178 PolarHBondContact O-N 2.99Å; V175-Q178 PolarHBondContact O-N 2.94Å; C176-Q178 VanDerWaalsContact C-N 3.32Å; C176-Q178 PolarHBondContact O-N 3.11Å; Q178-W181 PolarHBondContact O-N 3.49Å; Q178-A182 PolarHBondContact O-N 3.45Å |
| 179 | A | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.3 | -41.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F164 L167 L168 V175 C176 E177 W181 A182 L183 | F164-A179 HydrophobicContact CB-CB 4.47Å; F164-A179 HydrophobicContact CD1-CB 4.07Å; L167-A179 HydrophobicContact CB-CB 3.68Å; L167-A179 HydrophobicContact CD1-CB 4.46Å; L168-A179 HydrophobicContact CD2-CB 4.13Å; V175-A179 WeakPolarHBondContact O-CB 3.24Å; V175-A179 PolarHBondContact O-N 2.98Å; C176-A179 PolarHBondContact O-N 2.64Å; E177-A179 VanDerWaalsContact C-N 3.34Å; E177-A179 PolarHBondContact O-N 2.7Å; A179-W181 VanDerWaalsContact C-N 3.28Å; A179-W181 PolarHBondContact O-N 2.91Å; A179-A182 PolarHBondContact O-N 3.49Å; A179-L183 WeakPolarHBondContact O-CB 3.26Å; A179-L183 WeakPolarHBondContact O-CG 3.42Å; A179-L183 PolarHBondContact O-N 3.05Å |
| 180 | V | 97.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.7 | -44.2 | 172.6 | 169.3 | 0 | 0 | 0 | 0 | 110.4 | L168 C176 E177 L183 G184 L206 F209 F218 V222 V225 | L168-V180 HydrophobicContact CD2-CB 4.42Å; L168-V180 HydrophobicContact CD2-CG2 3.38Å; C176-V180 PolarHBondContact O-N 2.86Å; E177-V180 PolarHBondContact O-N 3.07Å; V180-L183 PolarHBondContact O-N 3.46Å; V180-G184 PolarHBondContact O-N 3.49Å; V180-L206 HydrophobicContact CG1-CD2 4.18Å; V180-L206 HydrophobicContact CG2-CD2 4.21Å; V180-F209 HydrophobicContact CG2-CD2 4.5Å; V180-F209 HydrophobicContact CG2-CE2 4.02Å; V180-F218 HydrophobicContact CB-CE2 4.08Å; V180-F218 HydrophobicContact CG1-CE2 4.28Å; V180-F218 HydrophobicContact CG2-CE2 3.78Å; V180-F218 HydrophobicContact CG2-CZ 4.07Å; V180-V222 HydrophobicContact CG1-CG2 4.24Å; V180-V225 HydrophobicContact CG1-CG2 3.62Å; V180-V225 WeakPolarHBondContact O-CG2 3.45Å |
| 181 | W | 94.4 | Very high | 94.4 | Very high | 7 Ų | 7 | 23.6 Ų | 23.6 | 3% | 0.027 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -68.1 | -42.3 | -179.7 | -169.2 | 7.3 | 0 | 0 | 0 | 112.9 | N50 V51 P52 T140 E177 Q178 A179 L183 G184 N185 W224 | N50-W181 WeakPolarHBondContact O-CZ2 3.47Å; V51-W181 HydrophobicContact CB-CH2 4.36Å; V51-W181 HydrophobicContact CB-CZ2 4.27Å; V51-W181 HydrophobicContact CG1-CH2 4.4Å; V51-W181 HydrophobicContact CG2-CH2 4.49Å; V51-W181 HydrophobicContact CG2-CZ2 4.03Å; P52-W181 HydrophobicContact CG-CH2 4.02Å; P52-W181 HydrophobicContact CG-CZ3 3.66Å; T140-W181 HydrophobicContact CG2-CB 4.36Å; T140-W181 HydrophobicContact CG2-CD2 3.89Å; T140-W181 HydrophobicContact CG2-CE3 4.36Å; T140-W181 HydrophobicContact CG2-CG 3.89Å; T140-W181 HydrophobicContact CG2-CZ2 4.48Å; E177-W181 PolarHBondContact O-N 3.3Å; Q178-W181 PolarHBondContact O-N 3.49Å; A179-W181 VanDerWaalsContact C-N 3.28Å; A179-W181 PolarHBondContact O-N 2.91Å; W181-L183 VanDerWaalsContact C-N 3.34Å; W181-L183 PolarHBondContact O-N 2.95Å; W181-G184 PolarHBondContact O-N 3.43Å; W181-N185 PolarHBondContact O-N 3.21Å; W181-W224 AromaticContact CD1-CZ3 3.79Å |
| 182 | A | 96.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.008 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -54.7 | -49.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | T140 F164 Q178 A179 G184 N185 I186 | T140-A182 WeakPolarHBondContact OG1-CA 3.44Å; T140-A182 VanDerWaalsContact OG1-CB 3.27Å; T140-A182 WeakPolarHBondContact OG1-CB 3.16Å; F164-A182 HydrophobicContact CD1-CB 3.8Å; F164-A182 HydrophobicContact CD2-CB 4.12Å; F164-A182 HydrophobicContact CE1-CB 3.48Å; F164-A182 VanDerWaalsContact CE1-CB 3.48Å; F164-A182 HydrophobicContact CE2-CB 3.83Å; F164-A182 HydrophobicContact CG-CB 4.12Å; F164-A182 HydrophobicContact CZ-CB 3.5Å; Q178-A182 PolarHBondContact O-N 3.45Å; A179-A182 PolarHBondContact O-N 3.49Å; A182-G184 VanDerWaalsContact C-N 3.32Å; A182-G184 PolarHBondContact O-N 3.36Å; A182-N185 PolarHBondContact O-N 3.35Å; A182-I186 WeakPolarHBondContact O-CG1 3.43Å; A182-I186 PolarHBondContact O-N 3.47Å; A182-I186 VanDerWaalsContact O-N 3.11Å |
| 183 | L | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.1 | -40.9 | 177.6 | -71.6 | 168.1 | 0 | 0 | 0 | 111.5 | V161 F164 L165 L168 A179 V180 W181 N185 I186 I187 V197 V202 | V161-L183 HydrophobicContact CG1-CD2 4.09Å; F164-L183 HydrophobicContact CB-CD1 4.14Å; F164-L183 HydrophobicContact CB-CD2 3.85Å; F164-L183 HydrophobicContact CB-CG 3.82Å; L165-L183 HydrophobicContact CD2-CD1 3.95Å; L165-L183 HydrophobicContact CD2-CD2 4.4Å; L168-L183 HydrophobicContact CD1-CD1 3.91Å; L168-L183 HydrophobicContact CD2-CD1 4.03Å; L168-L183 HydrophobicContact CG-CD1 4.16Å; A179-L183 WeakPolarHBondContact O-CB 3.26Å; A179-L183 WeakPolarHBondContact O-CG 3.42Å; A179-L183 PolarHBondContact O-N 3.05Å; V180-L183 PolarHBondContact O-N 3.46Å; W181-L183 VanDerWaalsContact C-N 3.34Å; W181-L183 PolarHBondContact O-N 2.95Å; L183-N185 PolarHBondContact O-N 2.93Å; L183-I186 PolarHBondContact O-N 3.46Å; L183-I187 HydrophobicContact CB-CD1 4.37Å; L183-I187 WeakPolarHBondContact O-CB 3.47Å; L183-I187 WeakPolarHBondContact O-CD1 3.49Å; L183-I187 WeakPolarHBondContact O-CG1 3.24Å; L183-I187 PolarHBondContact O-N 2.89Å; L183-V197 HydrophobicContact CD2-CG1 3.9Å; L183-V202 HydrophobicContact CD1-CG2 4.11Å |
| 184 | G | 94.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.9 | -38 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | V180 W181 A182 G188 W224 N228 | V180-G184 PolarHBondContact O-N 3.49Å; W181-G184 PolarHBondContact O-N 3.43Å; A182-G184 VanDerWaalsContact C-N 3.32Å; A182-G184 PolarHBondContact O-N 3.36Å; G184-G188 PolarHBondContact O-N 3.27Å; G184-W224 VanDerWaalsContact CA-CZ3 3.44Å; G184-N228 PolarHBondContact O-ND2 3.34Å; G184-N228 VanDerWaalsContact O-ND2 3.11Å |
| 185 | N | 93.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.005 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -66.1 | -40.5 | 173.6 | -81.7 | -19.2 | 0 | 0 | 0 | 111.8 | T140 A143 W181 A182 L183 D189 W224 | T140-N185 WeakPolarHBondContact CG2-ND2 3.4Å; T140-N185 PolarHBondContact O-ND2 3.09Å; T140-N185 VanDerWaalsContact O-ND2 3.1Å; A143-N185 HydrophobicContact CB-CB 4.01Å; W181-N185 PolarHBondContact O-N 3.21Å; A182-N185 PolarHBondContact O-N 3.35Å; L183-N185 PolarHBondContact O-N 2.93Å; N185-D189 PolarHBondContact O-N 2.86Å; N185-W224 WeakPolarHBondContact OD1-CH2 3.34Å |
| 186 | I | 95.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64.9 | -52.4 | 176.8 | -67.9 | 168.7 | 0 | 0 | 0 | 110.5 | A143 T150 V153 V154 V161 F164 A182 L183 G188 D189 C193 V197 | A143-I186 HydrophobicContact CB-CG1 4.02Å; T150-I186 HydrophobicContact CG2-CB 4.47Å; T150-I186 HydrophobicContact CG2-CG1 4.16Å; V153-I186 HydrophobicContact CG1-CD1 4.34Å; V154-I186 HydrophobicContact CG2-CB 4.44Å; V154-I186 HydrophobicContact CG2-CD1 4.26Å; V154-I186 HydrophobicContact CG2-CG1 4.12Å; V154-I186 HydrophobicContact CG2-CG2 3.54Å; V161-I186 HydrophobicContact CG2-CD1 4.03Å; V161-I186 HydrophobicContact CG2-CG2 4.49Å; F164-I186 HydrophobicContact CD2-CD1 4.26Å; F164-I186 HydrophobicContact CE2-CD1 4.2Å; A182-I186 WeakPolarHBondContact O-CG1 3.43Å; A182-I186 PolarHBondContact O-N 3.47Å; A182-I186 VanDerWaalsContact O-N 3.11Å; L183-I186 PolarHBondContact O-N 3.46Å; I186-G188 VanDerWaalsContact C-N 3.27Å; I186-G188 PolarHBondContact O-N 2.91Å; I186-D189 VanDerWaalsContact O-CB 3.29Å; I186-D189 WeakPolarHBondContact O-CB 3.35Å; I186-D189 PolarHBondContact O-N 3.15Å; I186-D189 VanDerWaalsContact O-N 3.1Å; I186-C193 HydrophobicContact CG2-CB 3.97Å; I186-C193 WeakPolarHBondContact O-CB 3.27Å; I186-V197 HydrophobicContact CG2-CG2 3.82Å |
| 187 | I | 94.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -57.3 | -43.1 | 177.7 | -68.7 | 162 | 0 | 0 | 0 | 110.4 | L183 D189 R194 V197 V225 N228 L229 | L183-I187 HydrophobicContact CB-CD1 4.37Å; L183-I187 WeakPolarHBondContact O-CB 3.47Å; L183-I187 WeakPolarHBondContact O-CD1 3.49Å; L183-I187 WeakPolarHBondContact O-CG1 3.24Å; L183-I187 PolarHBondContact O-N 2.89Å; I187-D189 PolarHBondContact O-N 3.28Å; I187-R194 HydrophobicContact CG2-CB 4.12Å; I187-R194 HydrophobicContact CG2-CG 4.01Å; I187-V197 HydrophobicContact CD1-CB 4.47Å; I187-V197 HydrophobicContact CD1-CG1 3.91Å; I187-V197 HydrophobicContact CG1-CB 3.96Å; I187-V197 HydrophobicContact CG1-CG1 3.91Å; I187-V197 HydrophobicContact CG1-CG2 4.12Å; I187-V225 HydrophobicContact CD1-CG1 3.57Å; I187-N228 HydrophobicContact CB-CB 4.46Å; I187-N228 HydrophobicContact CG2-CB 3.77Å; I187-L229 HydrophobicContact CD1-CD2 3.85Å; I187-L229 HydrophobicContact CD1-CG 4.3Å; I187-L229 HydrophobicContact CG1-CD2 4.25Å; I187-L229 HydrophobicContact CG2-CD2 3.79Å; I187-L229 HydrophobicContact CG2-CG 4.16Å |
| 188 | G | 91.4 | Very high | 94.7 | Very high | 7 Ų | 7 | 17.9 Ų | 17.9 | 7% | 0.072 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -2.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | G184 I186 | G184-G188 PolarHBondContact O-N 3.27Å; I186-G188 VanDerWaalsContact C-N 3.27Å; I186-G188 PolarHBondContact O-N 2.91Å |
| 189 | D | 90.9 | Very high | 94.8 | Very high | 22 Ų | 22 | 21.8 Ų | 21.8 | 12% | 0.118 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -27.1 | 176.2 | -169.1 | 62.2 | 0 | 0 | 0 | 113.2 | K47 S147 T150 N185 I186 I187 C193 | K47-D189 IonicContact NZ-OD1 3.83Å; S147-D189 VanDerWaalsContact CA-OD1 3.23Å; S147-D189 WeakPolarHBondContact CA-OD1 3.22Å; S147-D189 WeakPolarHBondContact CB-OD1 3.08Å; S147-D189 PolarHBondContact OG-OD1 3.05Å; T150-D189 HydrophobicContact CG2-CB 3.76Å; T150-D189 PolarHBondContact OG1-OD1 3.18Å; N185-D189 PolarHBondContact O-N 2.86Å; I186-D189 VanDerWaalsContact O-CB 3.29Å; I186-D189 WeakPolarHBondContact O-CB 3.35Å; I186-D189 PolarHBondContact O-N 3.15Å; I186-D189 VanDerWaalsContact O-N 3.1Å; I187-D189 PolarHBondContact O-N 3.28Å; D189-C193 HydrophobicContact CB-CB 4.49Å |
| 190 | G | 90.3 | Very high | 94.7 | Very high | 11 Ų | 11 | 25.1 Ų | 25.1 | 11% | 0.113 | 14% | 0.136 | C | C | . | . | trans | 158.2 | 174.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q192 C193 R194 | G190-Q192 VanDerWaalsContact C-N 3.28Å; G190-Q192 PolarHBondContact O-N 3.2Å; G190-C193 PolarHBondContact O-N 3.32Å; G190-R194 WeakPolarHBondContact O-CB 3.46Å; G190-R194 PolarHBondContact O-N 3.24Å | ||
| 191 | P | 91.4 | Very high | 94.7 | Very high | 26 Ų | 26 | 27.1 Ų | 27.1 | 17% | 0.169 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64 | -31.6 | -172.6 | 23.8 | -31.5 | 0 | 0 | 0 | 112.9 | R194 D195 N232 D234 P235 | P191-R194 PolarHBondContact O-N 2.82Å; P191-D195 WeakPolarHBondContact O-CB 3.37Å; P191-D195 PolarHBondContact O-N 3.38Å; P191-N232 HydrophobicContact CB-CB 4.04Å; P191-N232 HydrophobicContact CG-CB 4.22Å; P191-D234 WeakPolarHBondContact CG-O 3.25Å; P191-P235 HydrophobicContact CB-CG 4.27Å |
| 192 | Q | 92.5 | Very high | 94.8 | Very high | 156 Ų | 156 | 26.8 Ų | 26.8 | 73% | 0.729 | 16% | 0.156 | S | C | * | . | H | α-helix | trans | -62.6 | -47.6 | 176 | -65.8 | 175.4 | -0.8 | 0 | 0 | 112.3 | G190 Y196 | G190-Q192 VanDerWaalsContact C-N 3.28Å; G190-Q192 PolarHBondContact O-N 3.2Å; Q192-Y196 WeakPolarHBondContact O-CB 3.46Å; Q192-Y196 PolarHBondContact O-N 3.09Å; Q192-Y196 VanDerWaalsContact O-N 3.08Å |
| 193 | C | 94.4 | Very high | 94.9 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.014 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.5 | -43.4 | 176.4 | -69.6 | 0 | 0 | 0 | 0 | 111.4 | Q151 I186 D189 G190 D195 Y196 V197 | Q151-C193 PolarHBondContact NE2-SG 3.47Å; I186-C193 HydrophobicContact CG2-CB 3.97Å; I186-C193 WeakPolarHBondContact O-CB 3.27Å; D189-C193 HydrophobicContact CB-CB 4.49Å; G190-C193 PolarHBondContact O-N 3.32Å; C193-D195 PolarHBondContact O-N 3.35Å; C193-Y196 PolarHBondContact O-N 3.4Å; C193-V197 WeakPolarHBondContact O-CG2 3.32Å; C193-V197 PolarHBondContact O-N 3Å |
| 194 | R | 95.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -53.1 | -55.2 | 175.3 | 179.5 | -159.8 | 66.4 | -154 | -3.8 | 110.9 | I187 G190 P191 Y196 V197 I198 L229 R231 N232 P235 P236 | I187-R194 HydrophobicContact CG2-CB 4.12Å; I187-R194 HydrophobicContact CG2-CG 4.01Å; G190-R194 WeakPolarHBondContact O-CB 3.46Å; G190-R194 PolarHBondContact O-N 3.24Å; P191-R194 PolarHBondContact O-N 2.82Å; R194-Y196 VanDerWaalsContact C-N 3.34Å; R194-Y196 PolarHBondContact O-N 2.99Å; R194-V197 PolarHBondContact O-N 3.3Å; R194-I198 HydrophobicContact CG-CD1 3.79Å; R194-I198 VanDerWaalsContact O-CG1 3.28Å; R194-I198 WeakPolarHBondContact O-CG1 3.2Å; R194-I198 PolarHBondContact O-N 3.49Å; R194-L229 WeakPolarHBondContact CD-O 3.45Å; R194-L229 HydrophobicContact CG-CD2 4.23Å; R194-R231 PolarHBondContact NH1-O 2.82Å; R194-N232 PolarHBondContact NH1-O 2.89Å; R194-P235 PolarHBondContact NH1-O 3.46Å; R194-P235 VanDerWaalsContact NH1-O 3.11Å; R194-P235 PolarHBondContact NH2-O 3.28Å; R194-P236 PolarHBondContact NH2-O 3.02Å; R194-P236 VanDerWaalsContact NH2-O 3.13Å |
| 195 | D | 95.8 | Very high | 95 | Very high | 44 Ų | 44 | 35.1 Ų | 35.1 | 24% | 0.235 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.5 | -34.9 | -174.9 | -64.9 | -13.1 | 0 | 0 | 0 | 111.9 | P191 C193 I198 S199 | P191-D195 WeakPolarHBondContact O-CB 3.37Å; P191-D195 PolarHBondContact O-N 3.38Å; C193-D195 PolarHBondContact O-N 3.35Å; D195-I198 PolarHBondContact O-N 3.45Å; D195-S199 WeakPolarHBondContact O-CB 3.42Å; D195-S199 PolarHBondContact O-N 3.17Å |
| 196 | Y | 95.6 | Very high | 95.1 | Very high | 68 Ų | 68 | 35.1 Ų | 35.1 | 27% | 0.267 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.3 | -49.9 | 171.9 | 173.9 | -122.5 | 0 | 0 | 0 | 111.6 | V154 V161 Q192 C193 R194 I198 S199 L200 | V154-Y196 HydrophobicContact CG1-CD1 3.8Å; V154-Y196 HydrophobicContact CG1-CE1 3.84Å; V161-Y196 HydrophobicContact CB-CE1 3.87Å; V161-Y196 HydrophobicContact CG1-CE1 4.07Å; V161-Y196 HydrophobicContact CG2-CD1 4.42Å; V161-Y196 HydrophobicContact CG2-CE1 3.84Å; Q192-Y196 WeakPolarHBondContact O-CB 3.46Å; Q192-Y196 PolarHBondContact O-N 3.09Å; Q192-Y196 VanDerWaalsContact O-N 3.08Å; C193-Y196 PolarHBondContact O-N 3.4Å; R194-Y196 VanDerWaalsContact C-N 3.34Å; R194-Y196 PolarHBondContact O-N 2.99Å; Y196-I198 VanDerWaalsContact C-N 3.33Å; Y196-I198 PolarHBondContact O-N 2.85Å; Y196-S199 PolarHBondContact O-N 3.18Å; Y196-S199 VanDerWaalsContact O-N 3.17Å; Y196-S199 PolarHBondContact O-OG 3.03Å; Y196-L200 HydrophobicContact CD2-CD1 4.42Å; Y196-L200 HydrophobicContact CE1-CD1 3.99Å; Y196-L200 HydrophobicContact CE2-CD1 3.84Å; Y196-L200 HydrophobicContact CE2-CD2 4.45Å; Y196-L200 HydrophobicContact CE2-CG 4.18Å; Y196-L200 WeakPolarHBondContact O-CG 3.5Å; Y196-L200 PolarHBondContact O-N 3.26Å |
| 197 | V | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.9 | -35.7 | -179.8 | -179.1 | 0 | 0 | 0 | 0 | 111.4 | V161 L183 I186 I187 C193 R194 L200 V202 | V161-V197 HydrophobicContact CG1-CG1 4.45Å; V161-V197 HydrophobicContact CG1-CG2 3.83Å; L183-V197 HydrophobicContact CD2-CG1 3.9Å; I186-V197 HydrophobicContact CG2-CG2 3.82Å; I187-V197 HydrophobicContact CD1-CB 4.47Å; I187-V197 HydrophobicContact CD1-CG1 3.91Å; I187-V197 HydrophobicContact CG1-CB 3.96Å; I187-V197 HydrophobicContact CG1-CG1 3.91Å; I187-V197 HydrophobicContact CG1-CG2 4.12Å; C193-V197 WeakPolarHBondContact O-CG2 3.32Å; C193-V197 PolarHBondContact O-N 3Å; R194-V197 PolarHBondContact O-N 3.3Å; V197-L200 PolarHBondContact O-N 3.05Å; V197-V202 HydrophobicContact CG1-CB 3.68Å; V197-V202 HydrophobicContact CG1-CG1 3.81Å; V197-V202 HydrophobicContact CG1-CG2 3.87Å; V197-V202 PolarHBondContact O-N 3.14Å |
| 198 | I | 97.4 | Very high | 95.3 | Very high | 22 Ų | 22 | 40.5 Ų | 40.5 | 11% | 0.113 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.7 | -47.9 | 170.4 | -71.4 | 167.5 | 0 | 0 | 0 | 110.8 | R194 D195 Y196 L200 G201 L229 P238 T241 | R194-I198 HydrophobicContact CG-CD1 3.79Å; R194-I198 VanDerWaalsContact O-CG1 3.28Å; R194-I198 WeakPolarHBondContact O-CG1 3.2Å; R194-I198 PolarHBondContact O-N 3.49Å; D195-I198 PolarHBondContact O-N 3.45Å; Y196-I198 VanDerWaalsContact C-N 3.33Å; Y196-I198 PolarHBondContact O-N 2.85Å; I198-L200 PolarHBondContact O-N 3.48Å; I198-L200 VanDerWaalsContact O-N 3.11Å; I198-G201 PolarHBondContact O-N 3.13Å; I198-L229 HydrophobicContact CD1-CD2 4.04Å; I198-L229 HydrophobicContact CG1-CD2 3.74Å; I198-P238 HydrophobicContact CG2-CG 4.47Å; I198-T241 HydrophobicContact CD1-CG2 3.93Å; I198-T241 HydrophobicContact CG1-CG2 4.33Å; I198-T241 VanDerWaalsContact CG2-OG1 3.31Å; I198-T241 WeakPolarHBondContact CG2-OG1 3.3Å |
| 199 | S | 96.5 | Very high | 95.5 | Very high | 90 Ų | 90 | 41.2 Ų | 41.2 | 63% | 0.629 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -61.7 | -22.5 | -178.1 | 77.1 | 0 | 0 | 0 | 0 | 113.6 | D195 Y196 | D195-S199 WeakPolarHBondContact O-CB 3.42Å; D195-S199 PolarHBondContact O-N 3.17Å; Y196-S199 PolarHBondContact O-N 3.18Å; Y196-S199 VanDerWaalsContact O-N 3.17Å; Y196-S199 PolarHBondContact O-OG 3.03Å |
| 200 | L | 96.7 | Very high | 95.7 | Very high | 70 Ų | 70 | 41.7 Ų | 41.7 | 37% | 0.366 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -1.3 | 174.9 | -64.1 | 177.4 | 0 | 0 | 0 | 113.8 | V161 P162 L165 Y196 V197 I198 | V161-L200 HydrophobicContact CB-CD1 4.19Å; V161-L200 HydrophobicContact CG1-CD1 3.55Å; P162-L200 HydrophobicContact CG-CD1 4.28Å; L165-L200 HydrophobicContact CD1-CB 3.35Å; L165-L200 HydrophobicContact CD1-CD1 4.09Å; L165-L200 HydrophobicContact CD1-CG 4.38Å; Y196-L200 HydrophobicContact CD2-CD1 4.42Å; Y196-L200 HydrophobicContact CE1-CD1 3.99Å; Y196-L200 HydrophobicContact CE2-CD1 3.84Å; Y196-L200 HydrophobicContact CE2-CD2 4.45Å; Y196-L200 HydrophobicContact CE2-CG 4.18Å; Y196-L200 WeakPolarHBondContact O-CG 3.5Å; Y196-L200 PolarHBondContact O-N 3.26Å; V197-L200 PolarHBondContact O-N 3.05Å; I198-L200 PolarHBondContact O-N 3.48Å; I198-L200 VanDerWaalsContact O-N 3.11Å |
| 201 | G | 96.5 | Very high | 95.9 | Very high | 42 Ų | 42 | 43.8 Ų | 43.8 | 43% | 0.433 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.4 | 30.5 | 171 | 0 | 0 | 0 | 0 | 0 | 115.8 | I198 V203 P205 | I198-G201 PolarHBondContact O-N 3.13Å; G201-V203 VanDerWaalsContact C-N 3.28Å; G201-V203 PolarHBondContact O-N 3.22Å; G201-P205 WeakPolarHBondContact O-CD 3.23Å |
| 202 | V | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | trans | -64.1 | -27 | -179.2 | 75.6 | 0 | 0 | 0 | 0 | 114.8 | L165 L168 L183 V197 P205 L206 L229 | L165-V202 HydrophobicContact CD2-CB 3.67Å; L165-V202 HydrophobicContact CD2-CG2 3.59Å; L168-V202 HydrophobicContact CD1-CG2 4.46Å; L183-V202 HydrophobicContact CD1-CG2 4.11Å; V197-V202 HydrophobicContact CG1-CB 3.68Å; V197-V202 HydrophobicContact CG1-CG1 3.81Å; V197-V202 HydrophobicContact CG1-CG2 3.87Å; V197-V202 PolarHBondContact O-N 3.14Å; V202-P205 WeakPolarHBondContact O-CD 3.31Å; V202-L206 HydrophobicContact CG1-CD1 4.4Å; V202-L206 HydrophobicContact CG2-CD1 3.74Å; V202-L206 HydrophobicContact CG2-CG 4.04Å; V202-L206 WeakPolarHBondContact O-CG 3.38Å; V202-L206 PolarHBondContact O-N 3.15Å; V202-L229 HydrophobicContact CG1-CD1 4.45Å; V202-L229 HydrophobicContact CG1-CD2 4.22Å | ||
| 203 | V | 97.6 | Very high | 95.8 | Very high | 7 Ų | 7 | 46.5 Ų | 46.5 | 4% | 0.042 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.9 | -53.2 | -165.9 | -178 | 0 | 0 | 0 | 0 | 111.1 | G201 L206 L207 T241 E244 I245 | G201-V203 VanDerWaalsContact C-N 3.28Å; G201-V203 PolarHBondContact O-N 3.22Å; V203-L206 PolarHBondContact O-N 3.04Å; V203-L206 VanDerWaalsContact O-N 3.14Å; V203-L207 HydrophobicContact CG1-CD1 3.86Å; V203-L207 HydrophobicContact CG1-CG 4.21Å; V203-L207 WeakPolarHBondContact O-CG 3.45Å; V203-L207 PolarHBondContact O-N 3.31Å; V203-T241 HydrophobicContact CG2-CG2 3.88Å; V203-E244 HydrophobicContact CG1-CB 3.92Å; V203-E244 VanDerWaalsContact CG1-OE2 3.23Å; V203-E244 WeakPolarHBondContact CG1-OE2 3.04Å; V203-I245 HydrophobicContact CG1-CG1 4.06Å |
| 204 | K | 96.6 | Very high | 95.7 | Very high | 148 Ų | 148 | 48 Ų | 48 | 64% | 0.643 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -59.5 | -46.9 | -178 | -67.1 | 178.4 | -178.2 | 174.5 | 0 | 113.5 | L206 L207 S208 | K204-L206 PolarHBondContact O-N 2.92Å; K204-L207 PolarHBondContact O-N 2.92Å; K204-S208 PolarHBondContact O-N 3.37Å; K204-S208 VanDerWaalsContact O-N 3.17Å |
| 205 | P | 96.9 | Very high | 95.7 | Very high | 21 Ų | 21 | 50.5 Ų | 50.5 | 14% | 0.136 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -53.7 | -47.1 | 171.6 | -29.3 | 35 | 0 | 0 | 0 | 113.4 | L168 G201 V202 L207 S208 F209 | L168-P205 HydrophobicContact CB-CB 4.3Å; L168-P205 HydrophobicContact CD1-CB 3.59Å; L168-P205 HydrophobicContact CD1-CG 4.34Å; G201-P205 WeakPolarHBondContact O-CD 3.23Å; V202-P205 WeakPolarHBondContact O-CD 3.31Å; P205-L207 PolarHBondContact O-N 3.24Å; P205-S208 WeakPolarHBondContact O-CB 3.41Å; P205-S208 PolarHBondContact O-N 3.46Å; P205-S208 PolarHBondContact O-OG 3.16Å; P205-F209 WeakPolarHBondContact O-CD2 3.28Å; P205-F209 WeakPolarHBondContact O-CE2 3.36Å |
| 206 | L | 97.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 179.9 | -71.2 | 173.4 | 0 | 0 | 0 | 112.5 | V180 V202 V203 K204 S208 F209 V225 L229 | V180-L206 HydrophobicContact CG1-CD2 4.18Å; V180-L206 HydrophobicContact CG2-CD2 4.21Å; V202-L206 HydrophobicContact CG1-CD1 4.4Å; V202-L206 HydrophobicContact CG2-CD1 3.74Å; V202-L206 HydrophobicContact CG2-CG 4.04Å; V202-L206 WeakPolarHBondContact O-CG 3.38Å; V202-L206 PolarHBondContact O-N 3.15Å; V203-L206 PolarHBondContact O-N 3.04Å; V203-L206 VanDerWaalsContact O-N 3.14Å; K204-L206 PolarHBondContact O-N 2.92Å; L206-S208 PolarHBondContact O-N 3.01Å; L206-F209 PolarHBondContact O-N 2.89Å; L206-F209 VanDerWaalsContact O-N 3.17Å; L206-V225 HydrophobicContact CD1-CB 4.39Å; L206-V225 HydrophobicContact CD1-CG1 3.62Å; L206-V225 HydrophobicContact CD2-CB 4.45Å; L206-V225 HydrophobicContact CD2-CG1 4.25Å; L206-L229 HydrophobicContact CD1-CD1 3.74Å |
| 207 | L | 97 | Very high | 95.5 | Very high | 43 Ų | 43 | 52.7 Ų | 52.7 | 23% | 0.225 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.7 | -30.5 | 178.5 | -64.6 | 178.2 | 0 | 0 | 0 | 112.4 | V203 K204 P205 F209 I210 E244 A248 | V203-L207 HydrophobicContact CG1-CD1 3.86Å; V203-L207 HydrophobicContact CG1-CG 4.21Å; V203-L207 WeakPolarHBondContact O-CG 3.45Å; V203-L207 PolarHBondContact O-N 3.31Å; K204-L207 PolarHBondContact O-N 2.92Å; P205-L207 PolarHBondContact O-N 3.24Å; L207-F209 PolarHBondContact O-N 2.89Å; L207-I210 HydrophobicContact CD2-CD1 4.06Å; L207-I210 PolarHBondContact O-N 3.43Å; L207-I210 VanDerWaalsContact O-N 3.09Å; L207-E244 HydrophobicContact CD1-CB 4.36Å; L207-E244 WeakPolarHBondContact CD1-O 3.44Å; L207-A248 HydrophobicContact CD2-CB 3.45Å; L207-A248 VanDerWaalsContact CD2-CB 3.45Å |
| 208 | S | 96.1 | Very high | 95.3 | Very high | 71 Ų | 71 | 52.9 Ų | 52.9 | 50% | 0.497 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.3 | -23.7 | 177.9 | 80.2 | 0 | 0 | 0 | 0 | 113.6 | K204 P205 L206 I210 N211 | K204-S208 PolarHBondContact O-N 3.37Å; K204-S208 VanDerWaalsContact O-N 3.17Å; P205-S208 WeakPolarHBondContact O-CB 3.41Å; P205-S208 PolarHBondContact O-N 3.46Å; P205-S208 PolarHBondContact O-OG 3.16Å; L206-S208 PolarHBondContact O-N 3.01Å; S208-I210 VanDerWaalsContact C-N 3.27Å; S208-I210 PolarHBondContact O-N 3.2Å; S208-N211 PolarHBondContact O-ND2 3.46Å |
| 209 | F | 96.1 | Very high | 95.3 | Very high | 22 Ų | 22 | 52.3 Ų | 52.3 | 10% | 0.096 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -2.9 | 176.3 | -56 | -53.8 | 0 | 0 | 0 | 113.5 | L168 C176 V180 P205 L206 L207 N211 I214 F218 V222 | L168-F209 HydrophobicContact CB-CZ 4.42Å; L168-F209 HydrophobicContact CD2-CE2 4.48Å; C176-F209 WeakPolarHBondContact SG-CZ 3.49Å; V180-F209 HydrophobicContact CG2-CD2 4.5Å; V180-F209 HydrophobicContact CG2-CE2 4.02Å; P205-F209 WeakPolarHBondContact O-CD2 3.28Å; P205-F209 WeakPolarHBondContact O-CE2 3.36Å; L206-F209 PolarHBondContact O-N 2.89Å; L206-F209 VanDerWaalsContact O-N 3.17Å; L207-F209 PolarHBondContact O-N 2.89Å; F209-N211 VanDerWaalsContact C-N 3.32Å; F209-N211 PolarHBondContact O-N 3.33Å; F209-N211 VanDerWaalsContact O-N 3.08Å; F209-I214 HydrophobicContact CB-CG1 4.29Å; F209-I214 HydrophobicContact CD1-CD1 4.25Å; F209-I214 WeakPolarHBondContact O-CG1 3.46Å; F209-F218 AromaticContact CD1-CE1 3.92Å; F209-F218 HydrophobicContact CD1-CE1 3.92Å; F209-F218 HydrophobicContact CD1-CZ 4.01Å; F209-F218 HydrophobicContact CD2-CZ 4.07Å; F209-F218 HydrophobicContact CE1-CE1 4.14Å; F209-F218 HydrophobicContact CE1-CZ 4.08Å; F209-F218 HydrophobicContact CE2-CZ 4.14Å; F209-F218 HydrophobicContact CG-CE1 4.25Å; F209-F218 HydrophobicContact CG-CZ 4.02Å; F209-F218 HydrophobicContact CZ-CZ 4.15Å; F209-V222 HydrophobicContact CB-CB 4.49Å; F209-V222 HydrophobicContact CB-CG1 4.11Å; F209-V222 HydrophobicContact CB-CG2 3.76Å; F209-V222 HydrophobicContact CD2-CG2 3.91Å; F209-V222 HydrophobicContact CG-CG2 4.14Å |
| 210 | I | 95.5 | Very high | 95.2 | Very high | 32 Ų | 32 | 51.9 Ų | 51.9 | 16% | 0.164 | 30% | 0.299 | C | S | . | . | trans | -87.4 | 79 | 176 | -56.5 | 172.9 | 0 | 0 | 0 | 108.6 | L207 S208 L219 V222 I226 A248 V251 L252 | L207-I210 HydrophobicContact CD2-CD1 4.06Å; L207-I210 PolarHBondContact O-N 3.43Å; L207-I210 VanDerWaalsContact O-N 3.09Å; S208-I210 VanDerWaalsContact C-N 3.27Å; S208-I210 PolarHBondContact O-N 3.2Å; I210-L219 HydrophobicContact CG1-CD1 4.44Å; I210-V222 HydrophobicContact CG1-CG1 4.48Å; I210-I226 HydrophobicContact CD1-CD1 3.65Å; I210-I226 HydrophobicContact CG1-CD1 4.38Å; I210-A248 HydrophobicContact CD1-CB 3.26Å; I210-V251 HydrophobicContact CG2-CG1 4.35Å; I210-L252 HydrophobicContact CD1-CD1 4.02Å; I210-L252 HydrophobicContact CG2-CD2 3.95Å; I210-L252 HydrophobicContact CG2-CG 4.18Å | ||
| 211 | N | 92.8 | Very high | 95 | Very high | 55 Ų | 55 | 49.8 Ų | 49.8 | 29% | 0.294 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -153.3 | 160.3 | 175.8 | 71.8 | 74.3 | 0 | 0 | 0 | 111.4 | S208 F209 S213 I214 | S208-N211 PolarHBondContact O-ND2 3.46Å; F209-N211 VanDerWaalsContact C-N 3.32Å; F209-N211 PolarHBondContact O-N 3.33Å; F209-N211 VanDerWaalsContact O-N 3.08Å; N211-S213 PolarHBondContact O-N 2.97Å; N211-S213 VanDerWaalsContact O-N 3.1Å; N211-S213 WeakPolarHBondContact OD1-CB 3.36Å; N211-S213 PolarHBondContact OD1-N 3.26Å; N211-S213 PolarHBondContact OD1-OG 3Å; N211-I214 PolarHBondContact O-N 3.26Å |
| 212 | P | 90.2 | Very high | 95 | Very high | 141 Ų | 141 | 47.8 Ų | 47.8 | 92% | 0.916 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -13.2 | -174.2 | -23.4 | 34.9 | 0 | 0 | 0 | 116 | ||
| 213 | S | 91.9 | Very high | 94.9 | Very high | 98 Ų | 98 | 47.8 Ų | 47.8 | 69% | 0.685 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -15 | 179.7 | 74.5 | 0 | 0 | 0 | 0 | 113.3 | N211 | N211-S213 PolarHBondContact O-N 2.97Å; N211-S213 VanDerWaalsContact O-N 3.1Å; N211-S213 WeakPolarHBondContact OD1-CB 3.36Å; N211-S213 PolarHBondContact OD1-N 3.26Å; N211-S213 PolarHBondContact OD1-OG 3Å |
| 214 | I | 93.9 | Very high | 94.8 | Very high | 32 Ų | 32 | 47.7 Ų | 47.7 | 16% | 0.164 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -76.8 | 129.3 | 178.9 | -64.8 | -53 | 0 | 0 | 0 | 110.2 | F209 N211 F218 L219 | F209-I214 HydrophobicContact CB-CG1 4.29Å; F209-I214 HydrophobicContact CD1-CD1 4.25Å; F209-I214 WeakPolarHBondContact O-CG1 3.46Å; N211-I214 PolarHBondContact O-N 3.26Å; I214-F218 HydrophobicContact CD1-CD1 4.43Å; I214-F218 HydrophobicContact CD1-CE1 4.46Å; I214-F218 HydrophobicContact CG2-CB 3.87Å; I214-F218 HydrophobicContact CG2-CD1 3.61Å; I214-F218 HydrophobicContact CG2-CE1 4.39Å; I214-F218 HydrophobicContact CG2-CG 3.9Å; I214-L219 HydrophobicContact CG2-CB 4.11Å |
| 215 | P | 94.4 | Very high | 94.7 | Very high | 54 Ų | 54 | 40.6 Ų | 40.6 | 35% | 0.351 | 24% | 0.236 | S | C | . | . | trans | -58.1 | 143.2 | 176.3 | -30.8 | 41.3 | 0 | 0 | 0 | 112.5 | T217 F218 L219 | P215-T217 PolarHBondContact O-N 3.04Å; P215-T217 VanDerWaalsContact O-N 3.17Å; P215-F218 WeakPolarHBondContact O-CA 3.34Å; P215-F218 WeakPolarHBondContact O-CB 3.43Å; P215-F218 PolarHBondContact O-N 3.43Å; P215-L219 PolarHBondContact O-N 3.32Å | ||
| 216 | I | 94.2 | Very high | 94.7 | Very high | 79 Ų | 79 | 39.7 Ų | 39.7 | 41% | 0.405 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -56.7 | -36.5 | -174.1 | -168 | 164.4 | 0 | 0 | 0 | 113.5 | L219 R220 D257 I260 | I216-L219 PolarHBondContact O-N 3.01Å; I216-R220 VanDerWaalsContact O-CG 3.3Å; I216-R220 WeakPolarHBondContact O-CG 3.48Å; I216-R220 PolarHBondContact O-N 3.34Å; I216-D257 HydrophobicContact CD1-CB 3.95Å; I216-D257 HydrophobicContact CG1-CB 4.39Å; I216-I260 HydrophobicContact CG1-CD1 4.46Å |
| 217 | T | 92.8 | Very high | 94.4 | Very high | 78 Ų | 78 | 39.7 Ų | 39.7 | 48% | 0.479 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.5 | -41.8 | 176.5 | 48.5 | 0 | 0 | 0 | 0 | 111.4 | P215 N221 | P215-T217 PolarHBondContact O-N 3.04Å; P215-T217 VanDerWaalsContact O-N 3.17Å; T217-N221 PolarHBondContact O-N 3.39Å |
| 218 | F | 94.2 | Very high | 94.2 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.018 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.2 | -43.7 | 175.6 | -174.3 | -164.3 | 0 | 0 | 0 | 111.3 | E177 V180 F209 I214 P215 R220 N221 V222 | E177-F218 HydrophobicContact CB-CD2 4.29Å; E177-F218 HydrophobicContact CB-CE2 4.35Å; E177-F218 HydrophobicContact CG-CB 4.1Å; E177-F218 HydrophobicContact CG-CD1 3.8Å; E177-F218 HydrophobicContact CG-CD2 3.52Å; E177-F218 HydrophobicContact CG-CE1 4.08Å; E177-F218 HydrophobicContact CG-CE2 3.79Å; E177-F218 HydrophobicContact CG-CG 3.54Å; E177-F218 HydrophobicContact CG-CZ 4.09Å; V180-F218 HydrophobicContact CB-CE2 4.08Å; V180-F218 HydrophobicContact CG1-CE2 4.28Å; V180-F218 HydrophobicContact CG2-CE2 3.78Å; V180-F218 HydrophobicContact CG2-CZ 4.07Å; F209-F218 AromaticContact CD1-CE1 3.92Å; F209-F218 HydrophobicContact CD1-CE1 3.92Å; F209-F218 HydrophobicContact CD1-CZ 4.01Å; F209-F218 HydrophobicContact CD2-CZ 4.07Å; F209-F218 HydrophobicContact CE1-CE1 4.14Å; F209-F218 HydrophobicContact CE1-CZ 4.08Å; F209-F218 HydrophobicContact CE2-CZ 4.14Å; F209-F218 HydrophobicContact CG-CE1 4.25Å; F209-F218 HydrophobicContact CG-CZ 4.02Å; F209-F218 HydrophobicContact CZ-CZ 4.15Å; I214-F218 HydrophobicContact CD1-CD1 4.43Å; I214-F218 HydrophobicContact CD1-CE1 4.46Å; I214-F218 HydrophobicContact CG2-CB 3.87Å; I214-F218 HydrophobicContact CG2-CD1 3.61Å; I214-F218 HydrophobicContact CG2-CE1 4.39Å; I214-F218 HydrophobicContact CG2-CG 3.9Å; P215-F218 WeakPolarHBondContact O-CA 3.34Å; P215-F218 WeakPolarHBondContact O-CB 3.43Å; P215-F218 PolarHBondContact O-N 3.43Å; F218-R220 VanDerWaalsContact C-N 3.28Å; F218-R220 PolarHBondContact O-N 2.95Å; F218-N221 WeakPolarHBondContact O-CA 3.34Å; F218-N221 WeakPolarHBondContact O-CB 3.46Å; F218-N221 PolarHBondContact O-N 2.93Å; F218-V222 HydrophobicContact CD2-CG2 3.79Å; F218-V222 HydrophobicContact CE2-CG2 3.53Å; F218-V222 HydrophobicContact CZ-CG2 4.09Å; F218-V222 WeakPolarHBondContact O-CG2 3.46Å; F218-V222 PolarHBondContact O-N 3.46Å |
| 219 | L | 96.2 | Very high | 94.2 | Very high | 11 Ų | 11 | 34.5 Ų | 34.5 | 6% | 0.058 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.6 | -35.5 | 178.2 | -174.6 | 59.5 | 0 | 0 | 0 | 112.4 | I210 I214 P215 I216 N221 V222 T223 L252 I260 | I210-L219 HydrophobicContact CG1-CD1 4.44Å; I214-L219 HydrophobicContact CG2-CB 4.11Å; P215-L219 PolarHBondContact O-N 3.32Å; I216-L219 PolarHBondContact O-N 3.01Å; L219-N221 VanDerWaalsContact C-N 3.35Å; L219-V222 PolarHBondContact O-N 3.23Å; L219-T223 WeakPolarHBondContact O-CB 3.38Å; L219-T223 PolarHBondContact O-N 3.38Å; L219-T223 PolarHBondContact O-OG1 2.89Å; L219-L252 HydrophobicContact CD1-CD2 4.24Å; L219-L252 HydrophobicContact CD2-CD2 4.48Å; L219-I260 HydrophobicContact CB-CD1 4.09Å; L219-I260 HydrophobicContact CD2-CD1 3.75Å; L219-I260 HydrophobicContact CG-CD1 3.71Å |
| 220 | R | 94.9 | Very high | 94 | Very high | 80 Ų | 80 | 33.7 Ų | 33.7 | 30% | 0.302 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -58.4 | -45.6 | 170.4 | -76.2 | 169.4 | 179.7 | 165 | 2.9 | 111.5 | I216 F218 T223 W224 D257 N259 I260 | I216-R220 VanDerWaalsContact O-CG 3.3Å; I216-R220 WeakPolarHBondContact O-CG 3.48Å; I216-R220 PolarHBondContact O-N 3.34Å; F218-R220 VanDerWaalsContact C-N 3.28Å; F218-R220 PolarHBondContact O-N 2.95Å; R220-T223 PolarHBondContact O-N 3.02Å; R220-W224 WeakPolarHBondContact O-CB 3.32Å; R220-W224 PolarHBondContact O-N 3.46Å; R220-D257 IonicContact CZ-OD1 3.45Å; R220-D257 IonicContact CZ-OD2 3.55Å; R220-D257 IonicContact NE-OD1 2.82Å; R220-D257 PolarHBondContact NE-OD1 3.02Å; R220-D257 IonicContact NE-OD2 3.97Å; R220-D257 PolarHBondContact NE-OD2 3.42Å; R220-D257 IonicContact NH2-OD1 2.81Å; R220-D257 IonicContact NH2-OD2 2.83Å; R220-D257 PolarHBondContact NH2-OD2 3.42Å; R220-N259 HydrophobicContact CG-CB 4.25Å; R220-I260 HydrophobicContact CB-CG1 4.46Å; R220-I260 HydrophobicContact CG-CD1 4.06Å; R220-I260 HydrophobicContact CG-CG1 3.75Å |
| 221 | N | 93.1 | Very high | 93.5 | Very high | 27 Ų | 27 | 33.3 Ų | 33.3 | 14% | 0.144 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.2 | -45.9 | 177.7 | -73 | -12.7 | 0 | 0 | 0 | 111.7 | T217 F218 L219 T223 W224 V225 | T217-N221 PolarHBondContact O-N 3.39Å; F218-N221 WeakPolarHBondContact O-CA 3.34Å; F218-N221 WeakPolarHBondContact O-CB 3.46Å; F218-N221 PolarHBondContact O-N 2.93Å; L219-N221 VanDerWaalsContact C-N 3.35Å; N221-T223 PolarHBondContact O-N 3.33Å; N221-W224 WeakPolarHBondContact O-CB 3.32Å; N221-W224 PolarHBondContact O-N 3.48Å; N221-V225 WeakPolarHBondContact O-CG2 3.47Å; N221-V225 PolarHBondContact O-N 2.87Å |
| 222 | V | 96.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.4 | -47.9 | 175.9 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | V180 F209 I210 F218 L219 W224 V225 I226 | V180-V222 HydrophobicContact CG1-CG2 4.24Å; F209-V222 HydrophobicContact CB-CB 4.49Å; F209-V222 HydrophobicContact CB-CG1 4.11Å; F209-V222 HydrophobicContact CB-CG2 3.76Å; F209-V222 HydrophobicContact CD2-CG2 3.91Å; F209-V222 HydrophobicContact CG-CG2 4.14Å; I210-V222 HydrophobicContact CG1-CG1 4.48Å; F218-V222 HydrophobicContact CD2-CG2 3.79Å; F218-V222 HydrophobicContact CE2-CG2 3.53Å; F218-V222 HydrophobicContact CZ-CG2 4.09Å; F218-V222 WeakPolarHBondContact O-CG2 3.46Å; F218-V222 PolarHBondContact O-N 3.46Å; L219-V222 PolarHBondContact O-N 3.23Å; V222-W224 VanDerWaalsContact C-N 3.31Å; V222-W224 PolarHBondContact O-N 2.87Å; V222-V225 PolarHBondContact O-N 3.48Å; V222-V225 VanDerWaalsContact O-N 3.15Å; V222-I226 HydrophobicContact CG1-CD1 3.98Å; V222-I226 WeakPolarHBondContact O-CG1 3.46Å; V222-I226 PolarHBondContact O-N 3.32Å |
| 223 | T | 95.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.1 | -45.9 | 178 | -56.3 | 0 | 0 | 0 | 0 | 110.4 | L219 R220 N221 V225 I226 V227 L252 I260 D263 | L219-T223 WeakPolarHBondContact O-CB 3.38Å; L219-T223 PolarHBondContact O-N 3.38Å; L219-T223 PolarHBondContact O-OG1 2.89Å; R220-T223 PolarHBondContact O-N 3.02Å; N221-T223 PolarHBondContact O-N 3.33Å; T223-V225 VanDerWaalsContact C-N 3.34Å; T223-V225 PolarHBondContact O-N 2.91Å; T223-I226 WeakPolarHBondContact O-CA 3.32Å; T223-I226 WeakPolarHBondContact O-CB 3.45Å; T223-I226 PolarHBondContact O-N 3.3Å; T223-I226 VanDerWaalsContact O-N 3.1Å; T223-V227 VanDerWaalsContact O-CG2 3.28Å; T223-V227 WeakPolarHBondContact O-CG2 3.35Å; T223-V227 PolarHBondContact O-N 3.3Å; T223-L252 HydrophobicContact CG2-CD1 4.2Å; T223-I260 HydrophobicContact CG2-CG2 4.2Å; T223-D263 HydrophobicContact CG2-CB 3.84Å |
| 224 | W | 93.8 | Very high | 91.3 | Very high | 4 Ų | 4 | 29.8 Ų | 29.8 | 2% | 0.015 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59 | -41 | 176.9 | 172 | 77.4 | 0 | 0 | 0 | 113 | W181 G184 N185 R220 N221 V222 I226 V227 N228 | W181-W224 AromaticContact CD1-CZ3 3.79Å; G184-W224 VanDerWaalsContact CA-CZ3 3.44Å; N185-W224 WeakPolarHBondContact OD1-CH2 3.34Å; R220-W224 WeakPolarHBondContact O-CB 3.32Å; R220-W224 PolarHBondContact O-N 3.46Å; N221-W224 WeakPolarHBondContact O-CB 3.32Å; N221-W224 PolarHBondContact O-N 3.48Å; V222-W224 VanDerWaalsContact C-N 3.31Å; V222-W224 PolarHBondContact O-N 2.87Å; W224-I226 VanDerWaalsContact C-N 3.34Å; W224-V227 WeakPolarHBondContact O-CB 3.47Å; W224-V227 PolarHBondContact O-N 2.88Å; W224-N228 VanDerWaalsContact CE2-ND2 3.32Å; W224-N228 WeakPolarHBondContact CZ2-ND2 3.37Å; W224-N228 PolarHBondContact O-N 2.84Å; W224-N228 VanDerWaalsContact O-N 3.07Å |
| 225 | V | 95.3 | Very high | 91 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.5 | -41.9 | 174.1 | -177.1 | 0 | 0 | 0 | 0 | 111.2 | V180 I187 L206 N221 V222 T223 V227 N228 L229 | V180-V225 HydrophobicContact CG1-CG2 3.62Å; V180-V225 WeakPolarHBondContact O-CG2 3.45Å; I187-V225 HydrophobicContact CD1-CG1 3.57Å; L206-V225 HydrophobicContact CD1-CB 4.39Å; L206-V225 HydrophobicContact CD1-CG1 3.62Å; L206-V225 HydrophobicContact CD2-CB 4.45Å; L206-V225 HydrophobicContact CD2-CG1 4.25Å; N221-V225 WeakPolarHBondContact O-CG2 3.47Å; N221-V225 PolarHBondContact O-N 2.87Å; V222-V225 PolarHBondContact O-N 3.48Å; V222-V225 VanDerWaalsContact O-N 3.15Å; T223-V225 VanDerWaalsContact C-N 3.34Å; T223-V225 PolarHBondContact O-N 2.91Å; V225-V227 VanDerWaalsContact C-N 3.31Å; V225-V227 PolarHBondContact O-N 3.31Å; V225-N228 WeakPolarHBondContact O-CB 3.47Å; V225-N228 PolarHBondContact O-N 3.35Å; V225-N228 VanDerWaalsContact O-N 3.09Å; V225-L229 PolarHBondContact O-N 3.01Å |
| 226 | I | 96.2 | Very high | 90.6 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.1 | -40.3 | 175.9 | -67.8 | 170.2 | 0 | 0 | 0 | 111.2 | I210 V222 T223 W224 N228 L229 C230 I245 L249 | I210-I226 HydrophobicContact CD1-CD1 3.65Å; I210-I226 HydrophobicContact CG1-CD1 4.38Å; V222-I226 HydrophobicContact CG1-CD1 3.98Å; V222-I226 WeakPolarHBondContact O-CG1 3.46Å; V222-I226 PolarHBondContact O-N 3.32Å; T223-I226 WeakPolarHBondContact O-CA 3.32Å; T223-I226 WeakPolarHBondContact O-CB 3.45Å; T223-I226 PolarHBondContact O-N 3.3Å; T223-I226 VanDerWaalsContact O-N 3.1Å; W224-I226 VanDerWaalsContact C-N 3.34Å; I226-N228 VanDerWaalsContact C-N 3.32Å; I226-N228 PolarHBondContact O-N 3.1Å; I226-L229 WeakPolarHBondContact O-CB 3.5Å; I226-L229 PolarHBondContact O-N 3.28Å; I226-C230 PolarHBondContact O-N 3.46Å; I226-C230 PolarHBondContact O-SG 3.28Å; I226-I245 HydrophobicContact CG2-CG2 3.54Å; I226-L249 HydrophobicContact CG2-CD2 3.96Å |
| 227 | V | 91.3 | Very high | 90.5 | Very high | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.012 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.6 | -44.3 | 172.8 | -175.1 | 0 | 0 | 0 | 0 | 111 | T223 W224 V225 L229 C230 R231 D263 W266 A267 Y270 | T223-V227 VanDerWaalsContact O-CG2 3.28Å; T223-V227 WeakPolarHBondContact O-CG2 3.35Å; T223-V227 PolarHBondContact O-N 3.3Å; W224-V227 WeakPolarHBondContact O-CB 3.47Å; W224-V227 PolarHBondContact O-N 2.88Å; V225-V227 VanDerWaalsContact C-N 3.31Å; V225-V227 PolarHBondContact O-N 3.31Å; V227-L229 VanDerWaalsContact C-N 3.27Å; V227-L229 PolarHBondContact O-N 3.02Å; V227-C230 WeakPolarHBondContact O-CB 3.32Å; V227-C230 PolarHBondContact O-N 3.44Å; V227-R231 WeakPolarHBondContact O-CG 3.44Å; V227-R231 PolarHBondContact O-N 2.91Å; V227-D263 HydrophobicContact CG2-CB 3.58Å; V227-D263 WeakPolarHBondContact CG2-O 3.29Å; V227-W266 HydrophobicContact CG1-CB 4.42Å; V227-A267 HydrophobicContact CB-CB 4.47Å; V227-A267 HydrophobicContact CG1-CB 4.45Å; V227-A267 HydrophobicContact CG2-CB 4.15Å; V227-Y270 HydrophobicContact CG1-CD2 4.07Å; V227-Y270 HydrophobicContact CG1-CE2 3.67Å |
| 228 | N | 92.9 | Very high | 90.5 | Very high | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.016 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.2 | -31.3 | 178.5 | -71.9 | -17.9 | 0 | 0 | 0 | 112.5 | G184 I187 W224 V225 I226 C230 R231 | G184-N228 PolarHBondContact O-ND2 3.34Å; G184-N228 VanDerWaalsContact O-ND2 3.11Å; I187-N228 HydrophobicContact CB-CB 4.46Å; I187-N228 HydrophobicContact CG2-CB 3.77Å; W224-N228 VanDerWaalsContact CE2-ND2 3.32Å; W224-N228 WeakPolarHBondContact CZ2-ND2 3.37Å; W224-N228 PolarHBondContact O-N 2.84Å; W224-N228 VanDerWaalsContact O-N 3.07Å; V225-N228 WeakPolarHBondContact O-CB 3.47Å; V225-N228 PolarHBondContact O-N 3.35Å; V225-N228 VanDerWaalsContact O-N 3.09Å; I226-N228 VanDerWaalsContact C-N 3.32Å; I226-N228 PolarHBondContact O-N 3.1Å; N228-C230 PolarHBondContact O-N 2.8Å; N228-R231 PolarHBondContact O-N 3.12Å |
| 229 | L | 95.4 | Very high | 90.4 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.4 | -28.3 | 171.4 | -69.2 | 171.6 | 0 | 0 | 0 | 112.6 | I187 R194 I198 V202 L206 V225 I226 V227 P237 I245 | I187-L229 HydrophobicContact CD1-CD2 3.85Å; I187-L229 HydrophobicContact CD1-CG 4.3Å; I187-L229 HydrophobicContact CG1-CD2 4.25Å; I187-L229 HydrophobicContact CG2-CD2 3.79Å; I187-L229 HydrophobicContact CG2-CG 4.16Å; R194-L229 WeakPolarHBondContact CD-O 3.45Å; R194-L229 HydrophobicContact CG-CD2 4.23Å; I198-L229 HydrophobicContact CD1-CD2 4.04Å; I198-L229 HydrophobicContact CG1-CD2 3.74Å; V202-L229 HydrophobicContact CG1-CD1 4.45Å; V202-L229 HydrophobicContact CG1-CD2 4.22Å; L206-L229 HydrophobicContact CD1-CD1 3.74Å; V225-L229 PolarHBondContact O-N 3.01Å; I226-L229 WeakPolarHBondContact O-CB 3.5Å; I226-L229 PolarHBondContact O-N 3.28Å; V227-L229 VanDerWaalsContact C-N 3.27Å; V227-L229 PolarHBondContact O-N 3.02Å; L229-P237 WeakPolarHBondContact O-CB 3.48Å; L229-I245 HydrophobicContact CB-CD1 3.88Å; L229-I245 HydrophobicContact CD1-CD1 3.98Å |
| 230 | C | 92.3 | Very high | 90.3 | Very high | 5 Ų | 5 | 37.8 Ų | 37.8 | 3% | 0.034 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -85.7 | -11 | 179.2 | -58.7 | 0 | 0 | 0 | 0 | 113.4 | I226 V227 N228 A267 Y270 L271 | I226-C230 PolarHBondContact O-N 3.46Å; I226-C230 PolarHBondContact O-SG 3.28Å; V227-C230 WeakPolarHBondContact O-CB 3.32Å; V227-C230 PolarHBondContact O-N 3.44Å; N228-C230 PolarHBondContact O-N 2.8Å; C230-A267 HydrophobicContact CB-CB 4.2Å; C230-Y270 VanDerWaalsContact O-CB 3.28Å; C230-Y270 WeakPolarHBondContact O-CB 3.46Å; C230-L271 HydrophobicContact CB-CD2 3.87Å; C230-L271 HydrophobicContact CB-CG 4.02Å |
| 231 | R | 85.1 | Confident | 90.3 | Very high | 25 Ų | 25 | 34.3 Ų | 34.3 | 9% | 0.094 | 18% | 0.183 | C | C | . | . | trans | -82.9 | 169 | -177.1 | -77.9 | 178.3 | 175.4 | -169 | -4.8 | 112.9 | L46 R194 V227 N228 Y270 | L46-R231 VanDerWaalsContact CD1-NH1 3.34Å; R194-R231 PolarHBondContact NH1-O 2.82Å; V227-R231 WeakPolarHBondContact O-CG 3.44Å; V227-R231 PolarHBondContact O-N 2.91Å; N228-R231 PolarHBondContact O-N 3.12Å; R231-Y270 HydrophobicContact CG-CD1 4.44Å; R231-Y270 HydrophobicContact CG-CD2 3.51Å; R231-Y270 HydrophobicContact CG-CE1 4.37Å; R231-Y270 HydrophobicContact CG-CE2 3.45Å; R231-Y270 VanDerWaalsContact CG-CE2 3.45Å; R231-Y270 HydrophobicContact CG-CG 4.05Å; R231-Y270 PolarHBondContact NE-OH 3.33Å; R231-Y270 PolarHBondContact NH2-OH 3.2Å | ||
| 232 | N | 76.8 | Confident | 90.4 | Very high | 36 Ų | 36 | 33.2 Ų | 33.2 | 19% | 0.193 | 18% | 0.177 | C | C | . | . | trans | 70.7 | 118.9 | 175 | -55.7 | -49 | 0 | 0 | 0 | 113.9 | P191 R194 P235 P236 | P191-N232 HydrophobicContact CB-CB 4.04Å; P191-N232 HydrophobicContact CG-CB 4.22Å; R194-N232 PolarHBondContact NH1-O 2.89Å; N232-P235 VanDerWaalsContact O-O 3.04Å; N232-P236 WeakPolarHBondContact O-CA 3.49Å | ||
| 233 | K | 71.3 | Confident | 90.3 | Very high | 62 Ų | 62 | 38.8 Ų | 38.8 | 27% | 0.27 | 20% | 0.203 | S | C | . | . | trans | -94.2 | -10.9 | -175.5 | -60.7 | -168.6 | -171.2 | -174.4 | 0 | 115.2 | P235 P236 D273 | K233-P235 CarbonylContact C-O 3.6Å; K233-P235 CarbonylContact O-C 3.57Å; K233-P235 WeakPolarHBondContact O-CA 3.02Å; K233-P236 WeakPolarHBondContact O-CD 3.5Å; K233-D273 WeakPolarHBondContact CE-O 3.46Å; K233-D273 WeakPolarHBondContact CE-OD2 3.36Å; K233-D273 PolarHBondContact NZ-O 3.47Å; K233-D273 IonicContact NZ-OD1 3.77Å; K233-D273 PolarHBondContact NZ-OD1 3.38Å; K233-D273 IonicContact NZ-OD2 3.78Å; K233-D273 PolarHBondContact NZ-OD2 3.48Å | ||
| 234 | D | 79.9 | Confident | 90.3 | Very high | 121 Ų | 121 | 42.5 Ų | 42.5 | 65% | 0.647 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -126.9 | 83.4 | -170.9 | -68.3 | -48.6 | 0 | 0 | 0 | 112.1 | P191 | P191-D234 WeakPolarHBondContact CG-O 3.25Š|
| 235 | P | 87.6 | Confident | 90.5 | Very high | 67 Ų | 67 | 42.4 Ų | 42.4 | 44% | 0.435 | 22% | 0.22 | S | C | . | . | S | Bend | cis | -76.6 | 161.7 | -6 | 30.9 | -38.2 | 0 | 0 | 0 | 114 | P191 R194 N232 K233 | P191-P235 HydrophobicContact CB-CG 4.27Å; R194-P235 PolarHBondContact NH1-O 3.46Å; R194-P235 VanDerWaalsContact NH1-O 3.11Å; R194-P235 PolarHBondContact NH2-O 3.28Å; N232-P235 VanDerWaalsContact O-O 3.04Å; K233-P235 CarbonylContact C-O 3.6Å; K233-P235 CarbonylContact O-C 3.57Å; K233-P235 WeakPolarHBondContact O-CA 3.02Å |
| 236 | P | 87.1 | Confident | 90.5 | Very high | 59 Ų | 59 | 42.8 Ų | 42.8 | 38% | 0.383 | 22% | 0.222 | S | C | . | . | P | Polyproline II helix | trans | -69.4 | 162.8 | 172.7 | 31.5 | -34.3 | 0 | 0 | 0 | 110.8 | R194 N232 K233 | R194-P236 PolarHBondContact NH2-O 3.02Å; R194-P236 VanDerWaalsContact NH2-O 3.13Å; N232-P236 WeakPolarHBondContact O-CA 3.49Å; K233-P236 WeakPolarHBondContact O-CD 3.5Å |
| 237 | P | 90.8 | Very high | 90.6 | Very high | 10 Ų | 10 | 46.7 Ų | 46.7 | 7% | 0.065 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -59.1 | 145.1 | 173.9 | 24.8 | -33.5 | 0 | 0 | 0 | 111.1 | L229 V242 L271 | L229-P237 WeakPolarHBondContact O-CB 3.48Å; P237-V242 HydrophobicContact CB-CG2 4.27Å; P237-V242 HydrophobicContact CG-CG2 3.95Å; P237-L271 HydrophobicContact CG-CD2 4.35Å |
| 238 | P | 93.3 | Very high | 90.8 | Very high | 50 Ų | 50 | 47.1 Ų | 47.1 | 33% | 0.325 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 140.5 | 177.3 | -24.9 | 34 | 0 | 0 | 0 | 112 | I198 E240 T241 V242 | I198-P238 HydrophobicContact CG2-CG 4.47Å; P238-E240 VanDerWaalsContact C-N 3.29Å; P238-E240 PolarHBondContact O-N 3.25Å; P238-T241 WeakPolarHBondContact O-CA 3.19Å; P238-T241 VanDerWaalsContact O-CB 3.32Å; P238-T241 WeakPolarHBondContact O-CB 3.24Å; P238-T241 PolarHBondContact O-N 3.22Å; P238-V242 PolarHBondContact O-N 2.99Å; P238-V242 VanDerWaalsContact O-N 3.12Å |
| 239 | M | 91.8 | Very high | 91.1 | Very high | 93 Ų | 93 | 47 Ų | 47 | 46% | 0.458 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -57.8 | -40.8 | -177.6 | -71 | 177.8 | 175.6 | 0 | 0 | 112.8 | T241 V242 Q243 E277 M281 | M239-T241 VanDerWaalsContact C-N 3.26Å; M239-T241 PolarHBondContact O-N 3.1Å; M239-V242 WeakPolarHBondContact O-CB 3.3Å; M239-V242 PolarHBondContact O-N 3.5Å; M239-V242 VanDerWaalsContact O-N 3.1Å; M239-Q243 WeakPolarHBondContact O-CG 3.22Å; M239-Q243 PolarHBondContact O-N 2.9Å; M239-E277 WeakPolarHBondContact CE-OE2 3.41Å; M239-M281 HydrophobicContact CB-CE 4.48Å; M239-M281 HydrophobicContact CG-CE 4.2Å |
| 240 | E | 94.4 | Very high | 91.1 | Very high | 147 Ų | 147 | 48 Ų | 48 | 69% | 0.687 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -58.4 | -40.2 | 176.2 | -64.8 | 176.7 | -177.3 | 0 | 0 | 111.5 | P238 Q243 E244 | P238-E240 VanDerWaalsContact C-N 3.29Å; P238-E240 PolarHBondContact O-N 3.25Å; E240-Q243 PolarHBondContact O-N 3.38Å; E240-E244 WeakPolarHBondContact O-CG 3.37Å; E240-E244 PolarHBondContact O-N 3.2Å |
| 241 | T | 95.5 | Very high | 91.3 | Very high | 8 Ų | 8 | 52.2 Ų | 52.2 | 5% | 0.049 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.1 | -40.8 | 175.8 | -56.9 | 0 | 0 | 0 | 0 | 111.8 | I198 V203 P238 M239 Q243 E244 I245 | I198-T241 HydrophobicContact CD1-CG2 3.93Å; I198-T241 HydrophobicContact CG1-CG2 4.33Å; I198-T241 VanDerWaalsContact CG2-OG1 3.31Å; I198-T241 WeakPolarHBondContact CG2-OG1 3.3Å; V203-T241 HydrophobicContact CG2-CG2 3.88Å; P238-T241 WeakPolarHBondContact O-CA 3.19Å; P238-T241 VanDerWaalsContact O-CB 3.32Å; P238-T241 WeakPolarHBondContact O-CB 3.24Å; P238-T241 PolarHBondContact O-N 3.22Å; M239-T241 VanDerWaalsContact C-N 3.26Å; M239-T241 PolarHBondContact O-N 3.1Å; T241-Q243 VanDerWaalsContact C-N 3.35Å; T241-E244 PolarHBondContact O-N 3.16Å; T241-I245 HydrophobicContact CG2-CD1 3.61Å; T241-I245 HydrophobicContact CG2-CG1 4.38Å; T241-I245 WeakPolarHBondContact O-CB 3.5Å; T241-I245 VanDerWaalsContact O-CG1 3.32Å; T241-I245 WeakPolarHBondContact O-CG1 3.38Å; T241-I245 PolarHBondContact O-N 3.34Å |
| 242 | V | 95 | Very high | 91.8 | Very high | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.018 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 175.8 | 177.9 | 0 | 0 | 0 | 0 | 110.7 | P237 P238 M239 E244 I245 L246 L271 M281 | P237-V242 HydrophobicContact CB-CG2 4.27Å; P237-V242 HydrophobicContact CG-CG2 3.95Å; P238-V242 PolarHBondContact O-N 2.99Å; P238-V242 VanDerWaalsContact O-N 3.12Å; M239-V242 WeakPolarHBondContact O-CB 3.3Å; M239-V242 PolarHBondContact O-N 3.5Å; M239-V242 VanDerWaalsContact O-N 3.1Å; V242-E244 VanDerWaalsContact C-N 3.33Å; V242-E244 PolarHBondContact O-N 3.46Å; V242-I245 PolarHBondContact O-N 3.16Å; V242-L246 HydrophobicContact CG1-CD1 3.82Å; V242-L246 HydrophobicContact CG1-CG 4.14Å; V242-L246 VanDerWaalsContact O-CG 3.32Å; V242-L246 WeakPolarHBondContact O-CG 3.18Å; V242-L246 PolarHBondContact O-N 3.42Å; V242-L271 HydrophobicContact CB-CD2 4.43Å; V242-L271 HydrophobicContact CG1-CD1 4.2Å; V242-L271 HydrophobicContact CG1-CD2 3.94Å; V242-L271 HydrophobicContact CG2-CD2 3.77Å; V242-M281 HydrophobicContact CB-CE 4.22Å; V242-M281 HydrophobicContact CG1-CE 3.95Å; V242-M281 HydrophobicContact CG1-SD 4.34Å |
| 243 | Q | 95 | Very high | 92.8 | Very high | 118 Ų | 118 | 50 Ų | 50 | 55% | 0.551 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -61.2 | -38.9 | 176.9 | -70.6 | 176.1 | -27.4 | 0 | 0 | 112.6 | M239 E240 T241 P247 M281 | M239-Q243 WeakPolarHBondContact O-CG 3.22Å; M239-Q243 PolarHBondContact O-N 2.9Å; E240-Q243 PolarHBondContact O-N 3.38Å; T241-Q243 VanDerWaalsContact C-N 3.35Å; Q243-P247 VanDerWaalsContact O-CD 3.23Å; Q243-P247 WeakPolarHBondContact O-CD 3.33Å; Q243-M281 HydrophobicContact CG-SD 3.87Å |
| 244 | E | 96.4 | Very high | 93.9 | Very high | 77 Ų | 77 | 53.7 Ų | 53.7 | 36% | 0.36 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -69.9 | -35.6 | 176.5 | -72.9 | -171.4 | -179.1 | 0 | 0 | 112.9 | V203 L207 E240 T241 V242 | V203-E244 HydrophobicContact CG1-CB 3.92Å; V203-E244 VanDerWaalsContact CG1-OE2 3.23Å; V203-E244 WeakPolarHBondContact CG1-OE2 3.04Å; L207-E244 HydrophobicContact CD1-CB 4.36Å; L207-E244 WeakPolarHBondContact CD1-O 3.44Å; E240-E244 WeakPolarHBondContact O-CG 3.37Å; E240-E244 PolarHBondContact O-N 3.2Å; T241-E244 PolarHBondContact O-N 3.16Å; V242-E244 VanDerWaalsContact C-N 3.33Å; V242-E244 PolarHBondContact O-N 3.46Å |
| 245 | I | 97 | Very high | 94.7 | Very high | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.015 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -83.1 | -32.7 | -175 | -70.2 | 172.6 | 0 | 0 | 0 | 112.9 | V203 I226 L229 T241 V242 A248 L249 | V203-I245 HydrophobicContact CG1-CG1 4.06Å; I226-I245 HydrophobicContact CG2-CG2 3.54Å; L229-I245 HydrophobicContact CB-CD1 3.88Å; L229-I245 HydrophobicContact CD1-CD1 3.98Å; T241-I245 HydrophobicContact CG2-CD1 3.61Å; T241-I245 HydrophobicContact CG2-CG1 4.38Å; T241-I245 WeakPolarHBondContact O-CB 3.5Å; T241-I245 VanDerWaalsContact O-CG1 3.32Å; T241-I245 WeakPolarHBondContact O-CG1 3.38Å; T241-I245 PolarHBondContact O-N 3.34Å; V242-I245 PolarHBondContact O-N 3.16Å; I245-A248 VanDerWaalsContact O-CB 3.31Å; I245-A248 WeakPolarHBondContact O-CB 3.47Å; I245-A248 PolarHBondContact O-N 2.84Å; I245-L249 HydrophobicContact CG2-CD1 3.91Å; I245-L249 HydrophobicContact CG2-CD2 4.4Å; I245-L249 HydrophobicContact CG2-CG 3.87Å; I245-L249 PolarHBondContact O-N 2.81Å; I245-L249 VanDerWaalsContact O-N 3.13Å |
| 246 | L | 96.4 | Very high | 95 | Very high | 8 Ų | 8 | 54 Ų | 54 | 4% | 0.042 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -54.4 | -44.8 | -175.1 | -85.1 | 168.2 | 0 | 0 | 0 | 114.6 | V242 A248 L249 C250 L268 L271 M281 V282 | V242-L246 HydrophobicContact CG1-CD1 3.82Å; V242-L246 HydrophobicContact CG1-CG 4.14Å; V242-L246 VanDerWaalsContact O-CG 3.32Å; V242-L246 WeakPolarHBondContact O-CG 3.18Å; V242-L246 PolarHBondContact O-N 3.42Å; L246-A248 PolarHBondContact O-N 3.29Å; L246-L249 PolarHBondContact O-N 3.14Å; L246-L249 VanDerWaalsContact O-N 3.14Å; L246-C250 PolarHBondContact O-N 3.48Å; L246-C250 PolarHBondContact O-SG 3.46Å; L246-L268 HydrophobicContact CD2-CD2 4.24Å; L246-L271 HydrophobicContact CD2-CD1 3.95Å; L246-L271 HydrophobicContact CG-CD1 4.34Å; L246-M281 HydrophobicContact CD1-CB 3.97Å; L246-M281 WeakPolarHBondContact CD1-O 3.43Å; L246-V282 HydrophobicContact CD2-CG2 4.17Å |
| 247 | P | 96.8 | Very high | 95.4 | Very high | 83 Ų | 83 | 52 Ų | 52 | 54% | 0.539 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -57.5 | -36.9 | 176.3 | -26.4 | 35.4 | 0 | 0 | 0 | 113 | Q243 C250 V251 | Q243-P247 VanDerWaalsContact O-CD 3.23Å; Q243-P247 WeakPolarHBondContact O-CD 3.33Å; P247-C250 WeakPolarHBondContact O-CB 3.2Å; P247-C250 PolarHBondContact O-N 2.88Å; P247-V251 PolarHBondContact O-N 3.14Å |
| 248 | A | 96.8 | Very high | 95.6 | Very high | 11 Ų | 11 | 54.2 Ų | 54.2 | 9% | 0.091 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.5 | -42.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L207 I210 I245 L246 C250 V251 L252 | L207-A248 HydrophobicContact CD2-CB 3.45Å; L207-A248 VanDerWaalsContact CD2-CB 3.45Å; I210-A248 HydrophobicContact CD1-CB 3.26Å; I245-A248 VanDerWaalsContact O-CB 3.31Å; I245-A248 WeakPolarHBondContact O-CB 3.47Å; I245-A248 PolarHBondContact O-N 2.84Å; L246-A248 PolarHBondContact O-N 3.29Å; A248-C250 VanDerWaalsContact C-N 3.26Å; A248-C250 PolarHBondContact O-N 2.97Å; A248-V251 PolarHBondContact O-N 2.96Å; A248-V251 VanDerWaalsContact O-N 3.09Å; A248-L252 WeakPolarHBondContact O-CG 3.47Å; A248-L252 PolarHBondContact O-N 3.12Å |
| 249 | L | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.5 | -36 | 174.8 | -61.9 | 178.6 | 0 | 0 | 0 | 111.7 | I226 I245 L246 V251 L252 I253 T264 A267 L268 L271 | I226-L249 HydrophobicContact CG2-CD2 3.96Å; I245-L249 HydrophobicContact CG2-CD1 3.91Å; I245-L249 HydrophobicContact CG2-CD2 4.4Å; I245-L249 HydrophobicContact CG2-CG 3.87Å; I245-L249 PolarHBondContact O-N 2.81Å; I245-L249 VanDerWaalsContact O-N 3.13Å; L246-L249 PolarHBondContact O-N 3.14Å; L246-L249 VanDerWaalsContact O-N 3.14Å; L249-V251 PolarHBondContact O-N 3.12Å; L249-L252 PolarHBondContact O-N 3.11Å; L249-I253 PolarHBondContact O-N 2.79Å; L249-T264 HydrophobicContact CB-CG2 4.26Å; L249-T264 HydrophobicContact CD2-CG2 4.06Å; L249-T264 WeakPolarHBondContact O-CG2 3.34Å; L249-A267 HydrophobicContact CD1-CB 3.9Å; L249-A267 HydrophobicContact CD2-CB 3.78Å; L249-L268 HydrophobicContact CB-CD2 4.12Å; L249-L268 HydrophobicContact CD1-CD2 3.89Å; L249-L268 HydrophobicContact CD1-CG 4.31Å; L249-L271 HydrophobicContact CD1-CD1 3.65Å |
| 250 | C | 96.8 | Very high | 95.7 | Very high | 23 Ų | 23 | 50.1 Ų | 50.1 | 16% | 0.155 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.4 | -27.3 | 174.5 | -64.5 | 0 | 0 | 0 | 0 | 113 | L246 P247 A248 I253 Y254 | L246-C250 PolarHBondContact O-N 3.48Å; L246-C250 PolarHBondContact O-SG 3.46Å; P247-C250 WeakPolarHBondContact O-CB 3.2Å; P247-C250 PolarHBondContact O-N 2.88Å; A248-C250 VanDerWaalsContact C-N 3.26Å; A248-C250 PolarHBondContact O-N 2.97Å; C250-I253 WeakPolarHBondContact O-CG2 3.4Å; C250-Y254 VanDerWaalsContact O-CD2 3.27Å; C250-Y254 WeakPolarHBondContact O-CD2 3.48Å; C250-Y254 VanDerWaalsContact O-CE2 3.25Å; C250-Y254 WeakPolarHBondContact O-CE2 3.33Å |
| 251 | V | 95.9 | Very high | 95.8 | Very high | 93 Ų | 93 | 43.7 Ų | 43.7 | 56% | 0.564 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -80.1 | -46.7 | 172.4 | 173.9 | 0 | 0 | 0 | 0 | 110.6 | I210 P247 A248 L249 I253 Y254 | I210-V251 HydrophobicContact CG2-CG1 4.35Å; P247-V251 PolarHBondContact O-N 3.14Å; A248-V251 PolarHBondContact O-N 2.96Å; A248-V251 VanDerWaalsContact O-N 3.09Å; L249-V251 PolarHBondContact O-N 3.12Å; V251-I253 VanDerWaalsContact C-N 3.27Å; V251-I253 PolarHBondContact O-N 2.95Å; V251-Y254 PolarHBondContact O-N 3.45Å |
| 252 | L | 96.9 | Very high | 95.6 | Very high | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.8 | -23.3 | -174.6 | -68.1 | 171.2 | 0 | 0 | 0 | 113.6 | I210 L219 T223 A248 L249 Y254 H255 I260 T264 | I210-L252 HydrophobicContact CD1-CD1 4.02Å; I210-L252 HydrophobicContact CG2-CD2 3.95Å; I210-L252 HydrophobicContact CG2-CG 4.18Å; L219-L252 HydrophobicContact CD1-CD2 4.24Å; L219-L252 HydrophobicContact CD2-CD2 4.48Å; T223-L252 HydrophobicContact CG2-CD1 4.2Å; A248-L252 WeakPolarHBondContact O-CG 3.47Å; A248-L252 PolarHBondContact O-N 3.12Å; L249-L252 PolarHBondContact O-N 3.11Å; L252-Y254 PolarHBondContact O-N 3.31Å; L252-Y254 VanDerWaalsContact O-N 3.15Å; L252-H255 WeakPolarHBondContact O-CB 3.02Å; L252-H255 PolarHBondContact O-N 2.83Å; L252-I260 HydrophobicContact CB-CG2 4.3Å; L252-I260 HydrophobicContact CD2-CG2 3.92Å; L252-T264 HydrophobicContact CB-CG2 3.86Å; L252-T264 VanDerWaalsContact CB-OG1 3.31Å; L252-T264 WeakPolarHBondContact CB-OG1 3.5Å |
| 253 | I | 96.9 | Very high | 95.5 | Very high | 10 Ų | 10 | 44 Ų | 44 | 5% | 0.051 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -18.9 | 178.9 | -160.7 | 169.3 | 0 | 0 | 0 | 113 | L249 C250 V251 L261 T264 L268 V287 F290 L291 L294 | L249-I253 PolarHBondContact O-N 2.79Å; C250-I253 WeakPolarHBondContact O-CG2 3.4Å; V251-I253 VanDerWaalsContact C-N 3.27Å; V251-I253 PolarHBondContact O-N 2.95Å; I253-L261 HydrophobicContact CG1-CD1 4.27Å; I253-L261 WeakPolarHBondContact O-CD1 3.26Å; I253-T264 HydrophobicContact CB-CG2 4.17Å; I253-L268 HydrophobicContact CD1-CD1 3.88Å; I253-V287 HydrophobicContact CD1-CG2 3.74Å; I253-V287 HydrophobicContact CG2-CG2 4.5Å; I253-F290 HydrophobicContact CD1-CB 4.08Å; I253-F290 HydrophobicContact CG2-CB 4.16Å; I253-L291 HydrophobicContact CD1-CB 4.39Å; I253-L294 HydrophobicContact CD1-CD1 4.05Å; I253-L294 HydrophobicContact CG1-CD1 3.93Å |
| 254 | Y | 95 | Very high | 95.6 | Very high | 139 Ų | 139 | 38.3 Ų | 38.3 | 55% | 0.545 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -1.4 | 175.5 | -64.7 | -83.6 | 0 | 0 | 0 | 113.9 | C250 V251 L252 F290 | C250-Y254 VanDerWaalsContact O-CD2 3.27Å; C250-Y254 WeakPolarHBondContact O-CD2 3.48Å; C250-Y254 VanDerWaalsContact O-CE2 3.25Å; C250-Y254 WeakPolarHBondContact O-CE2 3.33Å; V251-Y254 PolarHBondContact O-N 3.45Å; L252-Y254 PolarHBondContact O-N 3.31Å; L252-Y254 VanDerWaalsContact O-N 3.15Å; Y254-F290 AromaticContact CE1-CD1 3.94Å; Y254-F290 HydrophobicContact CE1-CD1 3.94Å; Y254-F290 HydrophobicContact CE1-CE1 4.33Å; Y254-F290 HydrophobicContact CE1-CG 4.3Å; Y254-F290 HydrophobicContact CE2-CD2 4.28Å; Y254-F290 HydrophobicContact CE2-CG 4.32Å; Y254-F290 AromaticContact CZ-CD1 3.62Å; Y254-F290 AromaticContact CZ-CD2 3.97Å; Y254-F290 AromaticContact CZ-CE1 3.84Å; Y254-F290 AromaticContact CZ-CG 3.71Å; Y254-F290 WeakPolarHBondContact OH-CD1 3.47Å; Y254-F290 WeakPolarHBondContact OH-CD2 3.15Å; Y254-F290 WeakPolarHBondContact OH-CE1 3.41Å; Y254-F290 WeakPolarHBondContact OH-CE2 3.22Å; Y254-F290 VanDerWaalsContact OH-CG 3.28Å; Y254-F290 WeakPolarHBondContact OH-CG 3.31Å; Y254-F290 WeakPolarHBondContact OH-CZ 2.82Å |
| 255 | H | 95.7 | Very high | 95.6 | Very high | 53 Ų | 53 | 34.7 Ų | 34.7 | 25% | 0.245 | 19% | 0.19 | C | C | . | . | trans | -70.1 | 135.3 | -174.9 | -160.5 | -83.3 | 0 | 0 | 0 | 110.9 | L252 D257 I260 | L252-H255 WeakPolarHBondContact O-CB 3.02Å; L252-H255 PolarHBondContact O-N 2.83Å; H255-D257 VanDerWaalsContact C-N 3.3Å; H255-D257 WeakPolarHBondContact CE1-CB 3.31Å; H255-D257 WeakPolarHBondContact ND1-CB 3.18Å; H255-D257 PolarHBondContact ND1-N 3.04Å; H255-D257 PolarHBondContact O-N 3.02Å; H255-I260 HydrophobicContact CB-CB 4.36Å; H255-I260 HydrophobicContact CB-CG2 3.71Å; H255-I260 VanDerWaalsContact CE1-CD1 3.44Å; H255-I260 WeakPolarHBondContact CE1-CD1 3.48Å | ||
| 256 | T | 94.6 | Very high | 95.4 | Very high | 142 Ų | 142 | 37.5 Ų | 37.5 | 87% | 0.871 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -77.5 | -17.3 | -177 | 57 | 0 | 0 | 0 | 0 | 113.3 | I258 | T256-I258 PolarHBondContact O-N 3.08Š|
| 257 | D | 95.8 | Very high | 95.3 | Very high | 16 Ų | 16 | 37.1 Ų | 37.1 | 9% | 0.086 | 20% | 0.198 | C | C | . | . | trans | -70.7 | 122.7 | 173.7 | -172.1 | -107.1 | 0 | 0 | 0 | 111.7 | I216 R220 H255 N259 I260 L261 | I216-D257 HydrophobicContact CD1-CB 3.95Å; I216-D257 HydrophobicContact CG1-CB 4.39Å; R220-D257 IonicContact CZ-OD1 3.45Å; R220-D257 IonicContact CZ-OD2 3.55Å; R220-D257 IonicContact NE-OD1 2.82Å; R220-D257 PolarHBondContact NE-OD1 3.02Å; R220-D257 IonicContact NE-OD2 3.97Å; R220-D257 PolarHBondContact NE-OD2 3.42Å; R220-D257 IonicContact NH2-OD1 2.81Å; R220-D257 IonicContact NH2-OD2 2.83Å; R220-D257 PolarHBondContact NH2-OD2 3.42Å; H255-D257 VanDerWaalsContact C-N 3.3Å; H255-D257 WeakPolarHBondContact CE1-CB 3.31Å; H255-D257 WeakPolarHBondContact ND1-CB 3.18Å; H255-D257 PolarHBondContact ND1-N 3.04Å; H255-D257 PolarHBondContact O-N 3.02Å; D257-N259 VanDerWaalsContact C-N 3.3Å; D257-N259 PolarHBondContact O-N 3.21Å; D257-N259 WeakPolarHBondContact OD1-CB 3.35Å; D257-N259 PolarHBondContact OD1-N 2.95Å; D257-N259 VanDerWaalsContact OD1-N 3.15Å; D257-I260 HydrophobicContact CB-CB 4.21Å; D257-I260 HydrophobicContact CB-CD1 3.96Å; D257-I260 HydrophobicContact CB-CG1 4.24Å; D257-I260 PolarHBondContact O-N 3.21Å; D257-I260 PolarHBondContact OD1-N 3.19Å; D257-L261 PolarHBondContact O-N 3.31Å | ||
| 258 | I | 93.5 | Very high | 95.3 | Very high | 57 Ų | 57 | 33.1 Ų | 33.1 | 29% | 0.292 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -65.2 | -32.3 | -174.7 | -166.5 | 58.4 | 0 | 0 | 0 | 113.5 | T256 L261 V262 E299 V302 | T256-I258 PolarHBondContact O-N 3.08Å; I258-L261 HydrophobicContact CD1-CD2 4.48Å; I258-V262 HydrophobicContact CD1-CG2 4.23Å; I258-V262 HydrophobicContact CG1-CG2 4.21Å; I258-V262 WeakPolarHBondContact O-CB 3.29Å; I258-V262 WeakPolarHBondContact O-CG2 3.24Å; I258-V262 PolarHBondContact O-N 3.31Å; I258-E299 HydrophobicContact CD1-CB 3.72Å; I258-E299 HydrophobicContact CD1-CG 3.57Å; I258-E299 HydrophobicContact CG1-CB 4.27Å; I258-E299 HydrophobicContact CG1-CG 3.86Å; I258-V302 HydrophobicContact CD1-CG2 3.4Å |
| 259 | N | 91.8 | Very high | 95.1 | Very high | 58 Ų | 58 | 32.7 Ų | 32.7 | 31% | 0.31 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -71.4 | -42.8 | -179.4 | -64.2 | -52.7 | 0 | 0 | 0 | 110.4 | R220 D257 D263 | R220-N259 HydrophobicContact CG-CB 4.25Å; D257-N259 VanDerWaalsContact C-N 3.3Å; D257-N259 PolarHBondContact O-N 3.21Å; D257-N259 WeakPolarHBondContact OD1-CB 3.35Å; D257-N259 PolarHBondContact OD1-N 2.95Å; D257-N259 VanDerWaalsContact OD1-N 3.15Å; N259-D263 VanDerWaalsContact O-CB 3.29Å; N259-D263 WeakPolarHBondContact O-CB 3.34Å; N259-D263 PolarHBondContact O-N 3.29Å |
| 260 | I | 96.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.5 | -46.5 | 173.7 | -67.8 | 168.2 | 0 | 0 | 0 | 110.4 | I216 L219 R220 T223 L252 H255 D257 D263 T264 | I216-I260 HydrophobicContact CG1-CD1 4.46Å; L219-I260 HydrophobicContact CB-CD1 4.09Å; L219-I260 HydrophobicContact CD2-CD1 3.75Å; L219-I260 HydrophobicContact CG-CD1 3.71Å; R220-I260 HydrophobicContact CB-CG1 4.46Å; R220-I260 HydrophobicContact CG-CD1 4.06Å; R220-I260 HydrophobicContact CG-CG1 3.75Å; T223-I260 HydrophobicContact CG2-CG2 4.2Å; L252-I260 HydrophobicContact CB-CG2 4.3Å; L252-I260 HydrophobicContact CD2-CG2 3.92Å; H255-I260 HydrophobicContact CB-CB 4.36Å; H255-I260 HydrophobicContact CB-CG2 3.71Å; H255-I260 VanDerWaalsContact CE1-CD1 3.44Å; H255-I260 WeakPolarHBondContact CE1-CD1 3.48Å; D257-I260 HydrophobicContact CB-CB 4.21Å; D257-I260 HydrophobicContact CB-CD1 3.96Å; D257-I260 HydrophobicContact CB-CG1 4.24Å; D257-I260 PolarHBondContact O-N 3.21Å; D257-I260 PolarHBondContact OD1-N 3.19Å; I260-D263 PolarHBondContact O-N 3Å; I260-T264 VanDerWaalsContact O-CB 3.29Å; I260-T264 WeakPolarHBondContact O-CB 3.34Å; I260-T264 PolarHBondContact O-N 3.29Å; I260-T264 PolarHBondContact O-OG1 3.09Å |
| 261 | L | 96.8 | Very high | 94.5 | Very high | 11 Ų | 11 | 33.3 Ų | 33.3 | 6% | 0.058 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62 | -49.3 | -179.9 | -178.7 | 58.6 | 0 | 0 | 0 | 111.8 | I253 D257 I258 D263 T264 V265 L294 V302 | I253-L261 HydrophobicContact CG1-CD1 4.27Å; I253-L261 WeakPolarHBondContact O-CD1 3.26Å; D257-L261 PolarHBondContact O-N 3.31Å; I258-L261 HydrophobicContact CD1-CD2 4.48Å; L261-D263 VanDerWaalsContact C-N 3.35Å; L261-D263 PolarHBondContact O-N 3.33Å; L261-T264 PolarHBondContact O-N 3.45Å; L261-V265 HydrophobicContact CD1-CG2 4.06Å; L261-V265 VanDerWaalsContact O-CG2 3.24Å; L261-V265 WeakPolarHBondContact O-CG2 3.21Å; L261-V265 PolarHBondContact O-N 3.15Å; L261-L294 HydrophobicContact CD1-CD1 4.1Å; L261-L294 HydrophobicContact CD2-CD2 4.37Å; L261-V302 HydrophobicContact CD2-CG1 4.2Å; L261-V302 HydrophobicContact CD2-CG2 4.09Å; L261-V302 HydrophobicContact CG-CG1 4.32Å; L261-V302 HydrophobicContact CG-CG2 4.16Å |
| 262 | V | 91.3 | Very high | 94.2 | Very high | 9 Ų | 9 | 28.9 Ų | 28.9 | 6% | 0.055 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.1 | -49.3 | 177.7 | 167.3 | 0 | 0 | 0 | 0 | 110.8 | I258 T264 V265 W266 K301 V302 | I258-V262 HydrophobicContact CD1-CG2 4.23Å; I258-V262 HydrophobicContact CG1-CG2 4.21Å; I258-V262 WeakPolarHBondContact O-CB 3.29Å; I258-V262 WeakPolarHBondContact O-CG2 3.24Å; I258-V262 PolarHBondContact O-N 3.31Å; V262-T264 PolarHBondContact O-N 2.96Å; V262-V265 PolarHBondContact O-N 3.25Å; V262-W266 PolarHBondContact O-N 3.41Å; V262-K301 HydrophobicContact CG1-CB 4.33Å; V262-K301 HydrophobicContact CG2-CB 3.87Å; V262-V302 HydrophobicContact CG2-CG2 3.41Å; V262-V302 VanDerWaalsContact CG2-CG2 3.41Å |
| 263 | D | 92.6 | Very high | 93.6 | Very high | 8 Ų | 8 | 29.9 Ų | 29.9 | 4% | 0.043 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.1 | -41.1 | -178.7 | -80.1 | 1.9 | 0 | 0 | 0 | 111.1 | R49 T223 V227 N259 I260 L261 V265 W266 A267 | R49-D263 IonicContact CZ-OD1 3.64Å; R49-D263 IonicContact NH1-OD1 2.87Å; R49-D263 IonicContact NH2-OD1 3.46Å; R49-D263 PolarHBondContact NH2-OD1 3.06Å; R49-D263 IonicContact NH2-OD2 3.63Å; R49-D263 PolarHBondContact NH2-OD2 3.13Å; T223-D263 HydrophobicContact CG2-CB 3.84Å; V227-D263 HydrophobicContact CG2-CB 3.58Å; V227-D263 WeakPolarHBondContact CG2-O 3.29Å; N259-D263 VanDerWaalsContact O-CB 3.29Å; N259-D263 WeakPolarHBondContact O-CB 3.34Å; N259-D263 PolarHBondContact O-N 3.29Å; I260-D263 PolarHBondContact O-N 3Å; L261-D263 VanDerWaalsContact C-N 3.35Å; L261-D263 PolarHBondContact O-N 3.33Å; D263-V265 PolarHBondContact O-N 2.7Å; D263-W266 PolarHBondContact O-N 3.13Å; D263-A267 PolarHBondContact O-N 3.29Å |
| 264 | T | 97.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.2 | -46.6 | 176.3 | -59.2 | 0 | 0 | 0 | 0 | 112 | L249 L252 I253 I260 L261 V262 W266 A267 L268 | L249-T264 HydrophobicContact CB-CG2 4.26Å; L249-T264 HydrophobicContact CD2-CG2 4.06Å; L249-T264 WeakPolarHBondContact O-CG2 3.34Å; L252-T264 HydrophobicContact CB-CG2 3.86Å; L252-T264 VanDerWaalsContact CB-OG1 3.31Å; L252-T264 WeakPolarHBondContact CB-OG1 3.5Å; I253-T264 HydrophobicContact CB-CG2 4.17Å; I260-T264 VanDerWaalsContact O-CB 3.29Å; I260-T264 WeakPolarHBondContact O-CB 3.34Å; I260-T264 PolarHBondContact O-N 3.29Å; I260-T264 PolarHBondContact O-OG1 3.09Å; L261-T264 PolarHBondContact O-N 3.45Å; V262-T264 PolarHBondContact O-N 2.96Å; T264-W266 VanDerWaalsContact C-N 3.33Å; T264-W266 PolarHBondContact O-N 3.13Å; T264-A267 WeakPolarHBondContact O-CB 3.4Å; T264-A267 PolarHBondContact O-N 3.19Å; T264-L268 PolarHBondContact O-N 3.43Å; T264-L268 VanDerWaalsContact O-N 3.09Å |
| 265 | V | 95.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.9 | -34.5 | 179.9 | -178.1 | 0 | 0 | 0 | 0 | 111 | L261 V262 D263 L268 S269 L291 L294 A305 A306 | L261-V265 HydrophobicContact CD1-CG2 4.06Å; L261-V265 VanDerWaalsContact O-CG2 3.24Å; L261-V265 WeakPolarHBondContact O-CG2 3.21Å; L261-V265 PolarHBondContact O-N 3.15Å; V262-V265 PolarHBondContact O-N 3.25Å; D263-V265 PolarHBondContact O-N 2.7Å; V265-L268 PolarHBondContact O-N 2.74Å; V265-S269 PolarHBondContact O-N 2.93Å; V265-L291 HydrophobicContact CG1-CD1 3.76Å; V265-L294 HydrophobicContact CG2-CD1 3.49Å; V265-L294 VanDerWaalsContact CG2-CD1 3.49Å; V265-A305 HydrophobicContact CB-CB 3.98Å; V265-A305 VanDerWaalsContact CG1-C 3.42Å; V265-A305 HydrophobicContact CG1-CB 3.54Å; V265-A306 HydrophobicContact CG1-CB 4Å; V265-A306 VanDerWaalsContact CG1-N 3.26Å |
| 266 | W | 93.8 | Very high | 91.6 | Very high | 62 Ų | 62 | 27.4 Ų | 27.4 | 24% | 0.235 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.1 | -42.4 | 170.7 | -86 | 111.8 | 0 | 0 | 0 | 112.2 | V227 V262 D263 T264 L268 S269 Y270 A305 | V227-W266 HydrophobicContact CG1-CB 4.42Å; V262-W266 PolarHBondContact O-N 3.41Å; D263-W266 PolarHBondContact O-N 3.13Å; T264-W266 VanDerWaalsContact C-N 3.33Å; T264-W266 PolarHBondContact O-N 3.13Å; W266-L268 VanDerWaalsContact C-N 3.33Å; W266-L268 PolarHBondContact O-N 2.79Å; W266-S269 VanDerWaalsContact CE3-OG 3.25Å; W266-S269 WeakPolarHBondContact O-CB 3.34Å; W266-S269 PolarHBondContact O-N 2.84Å; W266-S269 VanDerWaalsContact O-N 3.1Å; W266-S269 PolarHBondContact O-OG 3.18Å; W266-Y270 HydrophobicContact CB-CE2 4.04Å; W266-Y270 HydrophobicContact CE3-CE1 4.16Å; W266-Y270 HydrophobicContact CE3-CE2 4.43Å; W266-Y270 AromaticContact CE3-CZ 3.84Å; W266-Y270 WeakPolarHBondContact O-CD2 3.44Å; W266-Y270 WeakPolarHBondContact O-CE2 3.14Å; W266-Y270 PolarHBondContact O-N 3.29Å; W266-A305 HydrophobicContact CD2-CB 3.94Å; W266-A305 HydrophobicContact CG-CB 4.01Å; W266-A305 HydrophobicContact CZ2-CB 4.32Å |
| 267 | A | 94.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -56.1 | -48.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | V227 C230 L249 D263 T264 S269 Y270 L271 | V227-A267 HydrophobicContact CB-CB 4.47Å; V227-A267 HydrophobicContact CG1-CB 4.45Å; V227-A267 HydrophobicContact CG2-CB 4.15Å; C230-A267 HydrophobicContact CB-CB 4.2Å; L249-A267 HydrophobicContact CD1-CB 3.9Å; L249-A267 HydrophobicContact CD2-CB 3.78Å; D263-A267 PolarHBondContact O-N 3.29Å; T264-A267 WeakPolarHBondContact O-CB 3.4Å; T264-A267 PolarHBondContact O-N 3.19Å; A267-S269 VanDerWaalsContact C-N 3.29Å; A267-S269 PolarHBondContact O-N 3.17Å; A267-Y270 PolarHBondContact O-N 3.32Å; A267-Y270 VanDerWaalsContact O-N 3.13Å; A267-L271 WeakPolarHBondContact O-CG 3.48Å; A267-L271 PolarHBondContact O-N 3.09Å |
| 268 | L | 96.1 | Very high | 91 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.5 | -41.4 | 174.8 | -66.7 | 171.5 | 0 | 0 | 0 | 111.9 | L246 L249 I253 T264 V265 W266 Y270 L271 T272 V282 V287 L291 | L246-L268 HydrophobicContact CD2-CD2 4.24Å; L249-L268 HydrophobicContact CB-CD2 4.12Å; L249-L268 HydrophobicContact CD1-CD2 3.89Å; L249-L268 HydrophobicContact CD1-CG 4.31Å; I253-L268 HydrophobicContact CD1-CD1 3.88Å; T264-L268 PolarHBondContact O-N 3.43Å; T264-L268 VanDerWaalsContact O-N 3.09Å; V265-L268 PolarHBondContact O-N 2.74Å; W266-L268 VanDerWaalsContact C-N 3.33Å; W266-L268 PolarHBondContact O-N 2.79Å; L268-Y270 VanDerWaalsContact C-N 3.31Å; L268-Y270 PolarHBondContact O-N 3.34Å; L268-L271 PolarHBondContact O-N 3.44Å; L268-T272 VanDerWaalsContact O-CG2 3.32Å; L268-T272 WeakPolarHBondContact O-CG2 3.46Å; L268-T272 PolarHBondContact O-N 3.44Å; L268-T272 PolarHBondContact O-OG1 3.17Å; L268-V282 HydrophobicContact CD2-CG1 4.38Å; L268-V287 HydrophobicContact CD1-CG1 4.42Å; L268-V287 HydrophobicContact CD1-CG2 3.71Å; L268-V287 HydrophobicContact CD2-CG1 4.03Å; L268-V287 HydrophobicContact CD2-CG2 4.3Å; L268-L291 HydrophobicContact CD1-CD1 4.35Å |
| 269 | S | 92.7 | Very high | 90.9 | Very high | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.014 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60 | -40.5 | 176.4 | 81.6 | 0 | 0 | 0 | 0 | 112.3 | V265 W266 A267 T272 D273 N312 | V265-S269 PolarHBondContact O-N 2.93Å; W266-S269 VanDerWaalsContact CE3-OG 3.25Å; W266-S269 WeakPolarHBondContact O-CB 3.34Å; W266-S269 PolarHBondContact O-N 2.84Å; W266-S269 VanDerWaalsContact O-N 3.1Å; W266-S269 PolarHBondContact O-OG 3.18Å; A267-S269 VanDerWaalsContact C-N 3.29Å; A267-S269 PolarHBondContact O-N 3.17Å; S269-T272 WeakPolarHBondContact CA-OG1 3.05Å; S269-T272 PolarHBondContact O-N 3.38Å; S269-T272 PolarHBondContact O-OG1 3.22Å; S269-D273 WeakPolarHBondContact O-CB 3.23Å; S269-D273 PolarHBondContact O-N 3.31Å; S269-N312 PolarHBondContact O-ND2 3.45Å |
| 270 | Y | 89.8 | Confident | 91.1 | Very high | 33 Ų | 33 | 25.2 Ų | 25.2 | 13% | 0.129 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -69.4 | -37.8 | 176.9 | -59 | -51 | 0 | 0 | 0 | 112.5 | V227 C230 R231 W266 A267 L268 T272 D273 | V227-Y270 HydrophobicContact CG1-CD2 4.07Å; V227-Y270 HydrophobicContact CG1-CE2 3.67Å; C230-Y270 VanDerWaalsContact O-CB 3.28Å; C230-Y270 WeakPolarHBondContact O-CB 3.46Å; R231-Y270 HydrophobicContact CG-CD1 4.44Å; R231-Y270 HydrophobicContact CG-CD2 3.51Å; R231-Y270 HydrophobicContact CG-CE1 4.37Å; R231-Y270 HydrophobicContact CG-CE2 3.45Å; R231-Y270 VanDerWaalsContact CG-CE2 3.45Å; R231-Y270 HydrophobicContact CG-CG 4.05Å; R231-Y270 PolarHBondContact NE-OH 3.33Å; R231-Y270 PolarHBondContact NH2-OH 3.2Å; W266-Y270 HydrophobicContact CB-CE2 4.04Å; W266-Y270 HydrophobicContact CE3-CE1 4.16Å; W266-Y270 HydrophobicContact CE3-CE2 4.43Å; W266-Y270 AromaticContact CE3-CZ 3.84Å; W266-Y270 WeakPolarHBondContact O-CD2 3.44Å; W266-Y270 WeakPolarHBondContact O-CE2 3.14Å; W266-Y270 PolarHBondContact O-N 3.29Å; A267-Y270 PolarHBondContact O-N 3.32Å; A267-Y270 VanDerWaalsContact O-N 3.13Å; L268-Y270 VanDerWaalsContact C-N 3.31Å; L268-Y270 PolarHBondContact O-N 3.34Å; Y270-T272 VanDerWaalsContact C-N 3.33Å; Y270-D273 PolarHBondContact O-N 2.9Å |
| 271 | L | 91.3 | Very high | 91.1 | Very high | 3 Ų | 3 | 26.5 Ų | 26.5 | 2% | 0.016 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -69.3 | -30.9 | 177.9 | -65.3 | 179.9 | 0 | 0 | 0 | 112.8 | C230 P237 V242 L246 L249 A267 L268 D273 V282 | C230-L271 HydrophobicContact CB-CD2 3.87Å; C230-L271 HydrophobicContact CB-CG 4.02Å; P237-L271 HydrophobicContact CG-CD2 4.35Å; V242-L271 HydrophobicContact CB-CD2 4.43Å; V242-L271 HydrophobicContact CG1-CD1 4.2Å; V242-L271 HydrophobicContact CG1-CD2 3.94Å; V242-L271 HydrophobicContact CG2-CD2 3.77Å; L246-L271 HydrophobicContact CD2-CD1 3.95Å; L246-L271 HydrophobicContact CG-CD1 4.34Å; L249-L271 HydrophobicContact CD1-CD1 3.65Å; A267-L271 WeakPolarHBondContact O-CG 3.48Å; A267-L271 PolarHBondContact O-N 3.09Å; L268-L271 PolarHBondContact O-N 3.44Å; L271-D273 VanDerWaalsContact C-N 3.35Å; L271-V282 HydrophobicContact CB-CG2 3.84Å |
| 272 | T | 89.5 | Confident | 91.1 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -80.6 | -14.9 | 174.7 | 55.4 | 0 | 0 | 0 | 0 | 113.4 | L268 S269 Y270 G274 I279 V282 A309 N312 I313 | L268-T272 VanDerWaalsContact O-CG2 3.32Å; L268-T272 WeakPolarHBondContact O-CG2 3.46Å; L268-T272 PolarHBondContact O-N 3.44Å; L268-T272 PolarHBondContact O-OG1 3.17Å; S269-T272 WeakPolarHBondContact CA-OG1 3.05Å; S269-T272 PolarHBondContact O-N 3.38Å; S269-T272 PolarHBondContact O-OG1 3.22Å; Y270-T272 VanDerWaalsContact C-N 3.33Å; T272-G274 PolarHBondContact O-N 2.93Å; T272-I279 WeakPolarHBondContact O-CG1 3.2Å; T272-V282 HydrophobicContact CG2-CB 3.99Å; T272-V282 HydrophobicContact CG2-CG1 3.72Å; T272-V282 HydrophobicContact CG2-CG2 3.86Å; T272-A309 PolarHBondContact OG1-O 3.08Å; T272-N312 WeakPolarHBondContact O-CB 3.4Å; T272-N312 WeakPolarHBondContact OG1-CB 3.44Å; T272-N312 PolarHBondContact OG1-ND2 3.17Å; T272-I313 HydrophobicContact CG2-CD1 3.92Å; T272-I313 HydrophobicContact CG2-CG1 3.5Å |
| 273 | D | 85.5 | Confident | 91.4 | Very high | 24 Ų | 24 | 26.3 Ų | 26.3 | 13% | 0.128 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -82.8 | 29.7 | -178.2 | -156.7 | 4.9 | 0 | 0 | 0 | 112.8 | K233 S269 Y270 L271 N312 | K233-D273 WeakPolarHBondContact CE-O 3.46Å; K233-D273 WeakPolarHBondContact CE-OD2 3.36Å; K233-D273 PolarHBondContact NZ-O 3.47Å; K233-D273 IonicContact NZ-OD1 3.77Å; K233-D273 PolarHBondContact NZ-OD1 3.38Å; K233-D273 IonicContact NZ-OD2 3.78Å; K233-D273 PolarHBondContact NZ-OD2 3.48Å; S269-D273 WeakPolarHBondContact O-CB 3.23Å; S269-D273 PolarHBondContact O-N 3.31Å; Y270-D273 PolarHBondContact O-N 2.9Å; L271-D273 VanDerWaalsContact C-N 3.35Å; D273-N312 WeakPolarHBondContact CB-ND2 3.4Å |
| 274 | G | 78.3 | Confident | 91.6 | Very high | 27 Ų | 27 | 31.5 Ų | 31.5 | 28% | 0.278 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -115 | -164 | -173 | 0 | 0 | 0 | 0 | 0 | 113 | T272 | T272-G274 PolarHBondContact O-N 2.93Š|
| 275 | G | 81.3 | Confident | 91.6 | Very high | 44 Ų | 44 | 33.3 Ų | 33.3 | 45% | 0.454 | 18% | 0.183 | S | C | . | . | trans | -74.4 | 170.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E277 Q278 I279 | G275-E277 PolarHBondContact O-N 3.34Å; G275-Q278 PolarHBondContact O-N 2.92Å; G275-I279 PolarHBondContact O-N 3.11Å; G275-I279 VanDerWaalsContact O-N 3.12Å | ||
| 276 | N | 86.1 | Confident | 91.6 | Very high | 80 Ų | 80 | 35 Ų | 35 | 43% | 0.428 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -53.1 | -32.1 | -179.5 | -66.6 | -3.3 | 0 | 0 | 0 | 113.6 | Q280 T317 Q320 | N276-Q280 WeakPolarHBondContact O-CB 3.35Å; N276-Q280 PolarHBondContact O-N 2.98Å; N276-T317 WeakPolarHBondContact ND2-CG2 3.28Å; N276-Q320 PolarHBondContact O-NE2 3.27Å |
| 277 | E | 90.1 | Very high | 91.8 | Very high | 136 Ų | 136 | 32.1 Ų | 32.1 | 64% | 0.636 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -64.7 | -41.1 | 175.9 | -67 | -179.1 | 171.9 | 0 | 0 | 112.4 | M239 G275 Q280 M281 | M239-E277 WeakPolarHBondContact CE-OE2 3.41Å; G275-E277 PolarHBondContact O-N 3.34Å; E277-Q280 PolarHBondContact O-N 2.85Å; E277-M281 WeakPolarHBondContact O-CG 3.16Å; E277-M281 PolarHBondContact O-N 2.91Å |
| 278 | Q | 87.9 | Confident | 92 | Very high | 23 Ų | 23 | 32.2 Ų | 32.2 | 11% | 0.107 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -71.3 | -39.8 | 177.5 | -67.9 | -179.8 | -65.5 | 0 | 0 | 111.6 | G275 Q280 M281 V282 | G275-Q278 PolarHBondContact O-N 2.92Å; Q278-Q280 VanDerWaalsContact C-N 3.25Å; Q278-Q280 PolarHBondContact O-N 3.39Å; Q278-M281 HydrophobicContact CB-CE 4.15Å; Q278-M281 HydrophobicContact CG-CE 3.76Å; Q278-M281 PolarHBondContact O-N 3.11Å; Q278-V282 PolarHBondContact O-N 3.27Å |
| 279 | I | 90.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56.5 | -44.7 | 171 | -65.1 | 173 | 0 | 0 | 0 | 109.9 | T272 G275 M281 V282 I283 I313 Q320 | T272-I279 WeakPolarHBondContact O-CG1 3.2Å; G275-I279 PolarHBondContact O-N 3.11Å; G275-I279 VanDerWaalsContact O-N 3.12Å; I279-M281 PolarHBondContact O-N 3.47Å; I279-V282 PolarHBondContact O-N 3.4Å; I279-I283 HydrophobicContact CG2-CD1 3.91Å; I279-I283 PolarHBondContact O-N 3.33Å; I279-I313 HydrophobicContact CG2-CB 4.32Å; I279-I313 HydrophobicContact CG2-CG1 4.39Å; I279-I313 HydrophobicContact CG2-CG2 3.92Å; I279-Q320 HydrophobicContact CG2-CB 4.3Å; I279-Q320 HydrophobicContact CG2-CG 4.31Å |
| 280 | Q | 95.8 | Very high | 92.3 | Very high | 67 Ų | 67 | 39.1 Ų | 39.1 | 31% | 0.313 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.9 | -42 | 179.1 | -164.8 | 59.4 | 45.5 | 0 | 0 | 112.2 | N276 E277 Q278 V282 I283 D284 | N276-Q280 WeakPolarHBondContact O-CB 3.35Å; N276-Q280 PolarHBondContact O-N 2.98Å; E277-Q280 PolarHBondContact O-N 2.85Å; Q278-Q280 VanDerWaalsContact C-N 3.25Å; Q278-Q280 PolarHBondContact O-N 3.39Å; Q280-V282 VanDerWaalsContact C-N 3.3Å; Q280-V282 PolarHBondContact O-N 3.23Å; Q280-I283 PolarHBondContact O-N 3.47Å; Q280-I283 VanDerWaalsContact O-N 3.16Å; Q280-D284 PolarHBondContact NE2-OD1 2.99Å; Q280-D284 WeakPolarHBondContact O-CB 3.45Å; Q280-D284 PolarHBondContact O-N 3.02Å |
| 281 | M | 95.9 | Very high | 92.6 | Very high | 27 Ų | 27 | 37.5 Ų | 37.5 | 13% | 0.133 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.8 | -40.7 | 175.5 | -70.6 | -170.6 | -71.8 | 0 | 0 | 112.4 | M239 V242 Q243 L246 E277 Q278 I279 D284 S285 | M239-M281 HydrophobicContact CB-CE 4.48Å; M239-M281 HydrophobicContact CG-CE 4.2Å; V242-M281 HydrophobicContact CB-CE 4.22Å; V242-M281 HydrophobicContact CG1-CE 3.95Å; V242-M281 HydrophobicContact CG1-SD 4.34Å; Q243-M281 HydrophobicContact CG-SD 3.87Å; L246-M281 HydrophobicContact CD1-CB 3.97Å; L246-M281 WeakPolarHBondContact CD1-O 3.43Å; E277-M281 WeakPolarHBondContact O-CG 3.16Å; E277-M281 PolarHBondContact O-N 2.91Å; Q278-M281 HydrophobicContact CB-CE 4.15Å; Q278-M281 HydrophobicContact CG-CE 3.76Å; Q278-M281 PolarHBondContact O-N 3.11Å; I279-M281 PolarHBondContact O-N 3.47Å; M281-D284 PolarHBondContact O-N 3.13Å; M281-S285 PolarHBondContact O-N 2.65Å; M281-S285 VanDerWaalsContact O-N 3.08Å |
| 282 | V | 96.6 | Very high | 93 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.6 | -42.1 | 176.5 | 178.4 | 0 | 0 | 0 | 0 | 110.7 | L246 L268 L271 T272 Q278 I279 Q280 S285 V287 | L246-V282 HydrophobicContact CD2-CG2 4.17Å; L268-V282 HydrophobicContact CD2-CG1 4.38Å; L271-V282 HydrophobicContact CB-CG2 3.84Å; T272-V282 HydrophobicContact CG2-CB 3.99Å; T272-V282 HydrophobicContact CG2-CG1 3.72Å; T272-V282 HydrophobicContact CG2-CG2 3.86Å; Q278-V282 PolarHBondContact O-N 3.27Å; I279-V282 PolarHBondContact O-N 3.4Å; Q280-V282 VanDerWaalsContact C-N 3.3Å; Q280-V282 PolarHBondContact O-N 3.23Å; V282-S285 WeakPolarHBondContact O-CB 3.48Å; V282-S285 PolarHBondContact O-N 3.1Å; V282-S285 PolarHBondContact O-OG 3.17Å; V282-V287 HydrophobicContact CG1-CG1 3.62Å |
| 283 | I | 97.8 | Very high | 93.4 | Very high | 17 Ų | 17 | 40.8 Ų | 40.8 | 9% | 0.087 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.3 | -49.7 | 174.7 | -74.4 | 167.3 | 0 | 0 | 0 | 111 | I279 Q280 S285 G286 V288 I313 Q320 V323 | I279-I283 HydrophobicContact CG2-CD1 3.91Å; I279-I283 PolarHBondContact O-N 3.33Å; Q280-I283 PolarHBondContact O-N 3.47Å; Q280-I283 VanDerWaalsContact O-N 3.16Å; I283-S285 PolarHBondContact O-N 2.85Å; I283-G286 PolarHBondContact O-N 3.24Å; I283-V288 HydrophobicContact CG1-CG2 4.13Å; I283-I313 HydrophobicContact CD1-CG2 3.94Å; I283-I313 HydrophobicContact CG1-CG2 4.27Å; I283-Q320 HydrophobicContact CD1-CB 3.72Å; I283-Q320 HydrophobicContact CD1-CG 3.72Å; I283-V323 HydrophobicContact CG1-CG1 4.43Å; I283-V323 HydrophobicContact CG2-CG1 4.04Å; I283-V323 HydrophobicContact CG2-CG2 4.1Å |
| 284 | D | 97.7 | Very high | 94 | Very high | 117 Ų | 117 | 40.6 Ų | 40.6 | 63% | 0.626 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -65.3 | -22.9 | -176.8 | -68.2 | -11.5 | 0 | 0 | 0 | 112.4 | Q280 M281 G286 | Q280-D284 PolarHBondContact NE2-OD1 2.99Å; Q280-D284 WeakPolarHBondContact O-CB 3.45Å; Q280-D284 PolarHBondContact O-N 3.02Å; M281-D284 PolarHBondContact O-N 3.13Å; D284-G286 PolarHBondContact O-N 3.37Å |
| 285 | S | 96.9 | Very high | 94.9 | Very high | 38 Ų | 38 | 39.3 Ų | 39.3 | 27% | 0.266 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -16.2 | 171.3 | 79 | 0 | 0 | 0 | 0 | 113.6 | M281 V282 I283 V287 | M281-S285 PolarHBondContact O-N 2.65Å; M281-S285 VanDerWaalsContact O-N 3.08Å; V282-S285 WeakPolarHBondContact O-CB 3.48Å; V282-S285 PolarHBondContact O-N 3.1Å; V282-S285 PolarHBondContact O-OG 3.17Å; I283-S285 PolarHBondContact O-N 2.85Å; S285-V287 VanDerWaalsContact C-N 3.35Å; S285-V287 WeakPolarHBondContact OG-CG1 3.31Å |
| 286 | G | 97.1 | Very high | 95.7 | Very high | 36 Ų | 36 | 40 Ų | 40 | 37% | 0.371 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78 | 15.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | I283 D284 P289 F290 | I283-G286 PolarHBondContact O-N 3.24Å; D284-G286 PolarHBondContact O-N 3.37Å; G286-P289 WeakPolarHBondContact O-CD 3.31Å; G286-F290 VanDerWaalsContact O-CE2 3.31Å; G286-F290 WeakPolarHBondContact O-CE2 3.28Å |
| 287 | V | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -78.9 | -21.6 | -174.8 | 76.5 | 0 | 0 | 0 | 0 | 114.4 | I253 L268 V282 S285 F290 L291 | I253-V287 HydrophobicContact CD1-CG2 3.74Å; I253-V287 HydrophobicContact CG2-CG2 4.5Å; L268-V287 HydrophobicContact CD1-CG1 4.42Å; L268-V287 HydrophobicContact CD1-CG2 3.71Å; L268-V287 HydrophobicContact CD2-CG1 4.03Å; L268-V287 HydrophobicContact CD2-CG2 4.3Å; V282-V287 HydrophobicContact CG1-CG1 3.62Å; S285-V287 VanDerWaalsContact C-N 3.35Å; S285-V287 WeakPolarHBondContact OG-CG1 3.31Å; V287-F290 PolarHBondContact O-N 3.19Å; V287-L291 PolarHBondContact O-N 3.05Å | ||
| 288 | V | 98.1 | Very high | 96.5 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.012 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.7 | -45 | -173 | -177.5 | 0 | 0 | 0 | 0 | 113.6 | I283 F290 L291 V292 I313 V323 V324 | I283-V288 HydrophobicContact CG1-CG2 4.13Å; V288-F290 PolarHBondContact O-N 3.47Å; V288-F290 VanDerWaalsContact O-N 3.11Å; V288-L291 PolarHBondContact O-N 2.78Å; V288-L291 VanDerWaalsContact O-N 3.08Å; V288-V292 HydrophobicContact CG1-CG2 4.16Å; V288-V292 PolarHBondContact O-N 2.86Å; V288-I313 HydrophobicContact CG2-CD1 3.98Å; V288-V323 HydrophobicContact CB-CG1 4.46Å; V288-V323 HydrophobicContact CG1-CG1 4.4Å; V288-V323 HydrophobicContact CG2-CG1 4.45Å; V288-V324 HydrophobicContact CG1-CG2 4.26Å |
| 289 | P | 97.9 | Very high | 96.8 | Very high | 64 Ų | 64 | 44.8 Ų | 44.8 | 42% | 0.416 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61 | -20.7 | 177.1 | -24 | 35.6 | 0 | 0 | 0 | 114.4 | G286 P293 | G286-P289 WeakPolarHBondContact O-CD 3.31Å; P289-P293 WeakPolarHBondContact O-CD 3.44Å; P289-P293 WeakPolarHBondContact O-CG 3.12Å |
| 290 | F | 97 | Very high | 96.9 | Very high | 83 Ų | 83 | 46.4 Ų | 46.4 | 36% | 0.364 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -94.7 | -25.8 | 177.6 | -48.1 | -54.1 | 0 | 0 | 0 | 112.1 | I253 Y254 G286 V287 V288 L294 | I253-F290 HydrophobicContact CD1-CB 4.08Å; I253-F290 HydrophobicContact CG2-CB 4.16Å; Y254-F290 AromaticContact CE1-CD1 3.94Å; Y254-F290 HydrophobicContact CE1-CD1 3.94Å; Y254-F290 HydrophobicContact CE1-CE1 4.33Å; Y254-F290 HydrophobicContact CE1-CG 4.3Å; Y254-F290 HydrophobicContact CE2-CD2 4.28Å; Y254-F290 HydrophobicContact CE2-CG 4.32Å; Y254-F290 AromaticContact CZ-CD1 3.62Å; Y254-F290 AromaticContact CZ-CD2 3.97Å; Y254-F290 AromaticContact CZ-CE1 3.84Å; Y254-F290 AromaticContact CZ-CG 3.71Å; Y254-F290 WeakPolarHBondContact OH-CD1 3.47Å; Y254-F290 WeakPolarHBondContact OH-CD2 3.15Å; Y254-F290 WeakPolarHBondContact OH-CE1 3.41Å; Y254-F290 WeakPolarHBondContact OH-CE2 3.22Å; Y254-F290 VanDerWaalsContact OH-CG 3.28Å; Y254-F290 WeakPolarHBondContact OH-CG 3.31Å; Y254-F290 WeakPolarHBondContact OH-CZ 2.82Å; G286-F290 VanDerWaalsContact O-CE2 3.31Å; G286-F290 WeakPolarHBondContact O-CE2 3.28Å; V287-F290 PolarHBondContact O-N 3.19Å; V288-F290 PolarHBondContact O-N 3.47Å; V288-F290 VanDerWaalsContact O-N 3.11Å; F290-L294 WeakPolarHBondContact O-CG 3Å |
| 291 | L | 97.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -74.1 | -40.8 | 176 | -176.1 | 64.2 | 0 | 0 | 0 | 112.2 | I253 V265 L268 V287 V288 L294 A306 A309 V310 I313 | I253-L291 HydrophobicContact CD1-CB 4.39Å; V265-L291 HydrophobicContact CG1-CD1 3.76Å; L268-L291 HydrophobicContact CD1-CD1 4.35Å; V287-L291 PolarHBondContact O-N 3.05Å; V288-L291 PolarHBondContact O-N 2.78Å; V288-L291 VanDerWaalsContact O-N 3.08Å; L291-L294 WeakPolarHBondContact O-CB 3.47Å; L291-L294 PolarHBondContact O-N 2.54Å; L291-A306 HydrophobicContact CD1-CB 4.24Å; L291-A309 HydrophobicContact CD1-CB 4.07Å; L291-A309 HydrophobicContact CD2-CB 3.62Å; L291-A309 HydrophobicContact CG-CB 4.36Å; L291-V310 HydrophobicContact CD2-CG1 3.62Å; L291-V310 HydrophobicContact CG-CG1 3.72Å; L291-I313 HydrophobicContact CD2-CD1 4.28Å |
| 292 | V | 98.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -60.4 | -47.2 | -175.9 | 167.3 | 0 | 0 | 0 | 0 | 113.3 | V288 L294 L295 V310 V324 C327 V329 | V288-V292 HydrophobicContact CG1-CG2 4.16Å; V288-V292 PolarHBondContact O-N 2.86Å; V292-L294 PolarHBondContact O-N 3.33Å; V292-L295 VanDerWaalsContact O-CB 3.3Å; V292-L295 WeakPolarHBondContact O-CB 3.09Å; V292-L295 WeakPolarHBondContact O-CG 3.39Å; V292-L295 PolarHBondContact O-N 2.9Å; V292-V310 HydrophobicContact CG2-CG1 4.12Å; V292-V324 HydrophobicContact CG2-CG1 4.21Å; V292-C327 HydrophobicContact CB-CB 4.21Å; V292-C327 HydrophobicContact CG1-CB 4.39Å; V292-C327 WeakPolarHBondContact CG1-O 3.39Å; V292-C327 HydrophobicContact CG2-CB 3.86Å; V292-V329 HydrophobicContact CG1-CB 4.01Å; V292-V329 HydrophobicContact CG1-CG2 4.1Å; V292-V329 HydrophobicContact CG2-CB 4.25Å; V292-V329 HydrophobicContact CG2-CG2 4.13Å |
| 293 | P | 98.1 | Very high | 96.4 | Very high | 70 Ų | 70 | 49.7 Ų | 49.7 | 46% | 0.455 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -58.9 | -24.2 | 177.9 | -27.4 | 36.3 | 0 | 0 | 0 | 114.3 | P289 L295 S296 | P289-P293 WeakPolarHBondContact O-CD 3.44Å; P289-P293 WeakPolarHBondContact O-CG 3.12Å; P293-L295 PolarHBondContact O-N 2.88Å; P293-S296 PolarHBondContact O-N 3.14Å; P293-S296 VanDerWaalsContact O-N 3.15Å |
| 294 | L | 98.1 | Very high | 96 | Very high | 20 Ų | 20 | 50.3 Ų | 50.3 | 11% | 0.105 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -68.3 | -12.7 | 179 | -59.6 | 179.9 | 0 | 0 | 0 | 113.4 | I253 L261 V265 F290 L291 V292 S296 H297 V302 A306 | I253-L294 HydrophobicContact CD1-CD1 4.05Å; I253-L294 HydrophobicContact CG1-CD1 3.93Å; L261-L294 HydrophobicContact CD1-CD1 4.1Å; L261-L294 HydrophobicContact CD2-CD2 4.37Å; V265-L294 HydrophobicContact CG2-CD1 3.49Å; V265-L294 VanDerWaalsContact CG2-CD1 3.49Å; F290-L294 WeakPolarHBondContact O-CG 3Å; L291-L294 WeakPolarHBondContact O-CB 3.47Å; L291-L294 PolarHBondContact O-N 2.54Å; V292-L294 PolarHBondContact O-N 3.33Å; L294-S296 PolarHBondContact O-N 2.85Å; L294-H297 WeakPolarHBondContact O-CB 3.33Å; L294-H297 PolarHBondContact O-N 3.34Å; L294-H297 VanDerWaalsContact O-N 3.13Å; L294-V302 HydrophobicContact CB-CG1 3.96Å; L294-V302 HydrophobicContact CD1-CG1 4.28Å; L294-V302 HydrophobicContact CD2-CG1 4.18Å; L294-V302 HydrophobicContact CG-CG1 4.37Å; L294-A306 HydrophobicContact CB-CB 3.73Å |
| 295 | L | 98.2 | Very high | 95.6 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -60.1 | -28.1 | 170.1 | -65.9 | 177.3 | 0 | 0 | 0 | 112.6 | V292 P293 Q303 A306 L307 V310 V329 H332 F333 L336 | V292-L295 VanDerWaalsContact O-CB 3.3Å; V292-L295 WeakPolarHBondContact O-CB 3.09Å; V292-L295 WeakPolarHBondContact O-CG 3.39Å; V292-L295 PolarHBondContact O-N 2.9Å; P293-L295 PolarHBondContact O-N 2.88Å; L295-Q303 WeakPolarHBondContact O-CG 3.34Å; L295-Q303 PolarHBondContact O-NE2 2.81Å; L295-A306 HydrophobicContact CD2-CB 4.18Å; L295-L307 VanDerWaalsContact CD2-CA 3.45Å; L295-L307 HydrophobicContact CD2-CB 3.8Å; L295-L307 HydrophobicContact CD2-CD1 4.08Å; L295-V310 HydrophobicContact CD1-CG2 4.25Å; L295-V310 HydrophobicContact CD2-CG2 3.95Å; L295-V329 HydrophobicContact CD1-CG2 3.66Å; L295-H332 HydrophobicContact CB-CB 3.91Å; L295-H332 HydrophobicContact CD1-CB 4.08Å; L295-F333 HydrophobicContact CD1-CE2 4.16Å; L295-L336 HydrophobicContact CB-CD1 4.32Å; L295-L336 HydrophobicContact CD2-CD1 4.32Å |
| 296 | S | 97.4 | Very high | 95.6 | Very high | 57 Ų | 57 | 43 Ų | 43 | 40% | 0.399 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -101.3 | 14.9 | 177.4 | -63.5 | 0 | 0 | 0 | 0 | 113.6 | P293 L294 H332 | P293-S296 PolarHBondContact O-N 3.14Å; P293-S296 VanDerWaalsContact O-N 3.15Å; L294-S296 PolarHBondContact O-N 2.85Å; S296-H332 PolarHBondContact OG-ND1 3.11Å |
| 297 | H | 97.2 | Very high | 95.5 | Very high | 54 Ų | 54 | 41.3 Ų | 41.3 | 25% | 0.25 | 21% | 0.213 | C | C | . | . | trans | -66.5 | 144.4 | -179.3 | -166.5 | -86.9 | 0 | 0 | 0 | 112.1 | L294 E299 V302 Q303 | L294-H297 WeakPolarHBondContact O-CB 3.33Å; L294-H297 PolarHBondContact O-N 3.34Å; L294-H297 VanDerWaalsContact O-N 3.13Å; H297-E299 VanDerWaalsContact C-N 3.27Å; H297-E299 WeakPolarHBondContact ND1-CB 3.3Å; H297-E299 PolarHBondContact ND1-N 2.64Å; H297-E299 PolarHBondContact O-N 3.01Å; H297-V302 HydrophobicContact CB-CB 4.17Å; H297-V302 HydrophobicContact CB-CG1 3.87Å; H297-Q303 HydrophobicContact CB-CG 4.15Å; H297-Q303 WeakPolarHBondContact O-CG 3.49Å; H297-Q303 PolarHBondContact O-NE2 2.87Å | ||
| 298 | Q | 94.8 | Very high | 95.3 | Very high | 187 Ų | 187 | 43 Ų | 43 | 87% | 0.874 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -64.5 | -33.1 | -177.8 | -64.6 | -178.1 | -3.2 | 0 | 0 | 112.9 | V300 | Q298-V300 PolarHBondContact O-N 2.78Š|
| 299 | E | 94.3 | Very high | 95.1 | Very high | 99 Ų | 99 | 43 Ų | 43 | 46% | 0.463 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -81.7 | 111.5 | 178.2 | -67.9 | -69.9 | 159.3 | 0 | 0 | 111.8 | I258 H297 K301 V302 Q303 | I258-E299 HydrophobicContact CD1-CB 3.72Å; I258-E299 HydrophobicContact CD1-CG 3.57Å; I258-E299 HydrophobicContact CG1-CB 4.27Å; I258-E299 HydrophobicContact CG1-CG 3.86Å; H297-E299 VanDerWaalsContact C-N 3.27Å; H297-E299 WeakPolarHBondContact ND1-CB 3.3Å; H297-E299 PolarHBondContact ND1-N 2.64Å; H297-E299 PolarHBondContact O-N 3.01Å; E299-K301 PolarHBondContact O-N 3.05Å; E299-K301 VanDerWaalsContact O-N 3.08Å; E299-V302 HydrophobicContact CB-CB 4.46Å; E299-V302 HydrophobicContact CB-CG2 4.11Å; E299-V302 WeakPolarHBondContact O-CB 3.17Å; E299-V302 PolarHBondContact O-N 3.13Å; E299-Q303 PolarHBondContact O-N 2.75Å; E299-Q303 VanDerWaalsContact O-N 3.13Å |
| 300 | V | 92.6 | Very high | 95 | Very high | 34 Ų | 34 | 39.9 Ų | 39.9 | 21% | 0.206 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -55.5 | -31.7 | -178.8 | -174.5 | 0 | 0 | 0 | 0 | 113 | Q298 V302 Q303 T304 K341 I344 | Q298-V300 PolarHBondContact O-N 2.78Å; V300-V302 VanDerWaalsContact C-N 3.33Å; V300-Q303 PolarHBondContact O-N 2.8Å; V300-T304 WeakPolarHBondContact O-CB 3.38Å; V300-T304 PolarHBondContact O-N 2.78Å; V300-T304 PolarHBondContact O-OG1 2.91Å; V300-K341 HydrophobicContact CG1-CD 3.9Å; V300-I344 HydrophobicContact CG1-CD1 3.56Å |
| 301 | K | 89.8 | Confident | 94.8 | Very high | 140 Ų | 140 | 36 Ų | 36 | 61% | 0.609 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -63.3 | -40.2 | 177.1 | -70.4 | 179.3 | -178.5 | 171.1 | 0 | 111.6 | V262 E299 A305 | V262-K301 HydrophobicContact CG1-CB 4.33Å; V262-K301 HydrophobicContact CG2-CB 3.87Å; E299-K301 PolarHBondContact O-N 3.05Å; E299-K301 VanDerWaalsContact O-N 3.08Å; K301-A305 PolarHBondContact O-N 3.32Å |
| 302 | V | 93.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68 | -48.9 | 175.3 | 176.9 | 0 | 0 | 0 | 0 | 109.6 | I258 L261 V262 L294 H297 E299 V300 T304 A305 A306 | I258-V302 HydrophobicContact CD1-CG2 3.4Å; L261-V302 HydrophobicContact CD2-CG1 4.2Å; L261-V302 HydrophobicContact CD2-CG2 4.09Å; L261-V302 HydrophobicContact CG-CG1 4.32Å; L261-V302 HydrophobicContact CG-CG2 4.16Å; V262-V302 HydrophobicContact CG2-CG2 3.41Å; V262-V302 VanDerWaalsContact CG2-CG2 3.41Å; L294-V302 HydrophobicContact CB-CG1 3.96Å; L294-V302 HydrophobicContact CD1-CG1 4.28Å; L294-V302 HydrophobicContact CD2-CG1 4.18Å; L294-V302 HydrophobicContact CG-CG1 4.37Å; H297-V302 HydrophobicContact CB-CB 4.17Å; H297-V302 HydrophobicContact CB-CG1 3.87Å; E299-V302 HydrophobicContact CB-CB 4.46Å; E299-V302 HydrophobicContact CB-CG2 4.11Å; E299-V302 WeakPolarHBondContact O-CB 3.17Å; E299-V302 PolarHBondContact O-N 3.13Å; V300-V302 VanDerWaalsContact C-N 3.33Å; V302-T304 VanDerWaalsContact C-N 3.29Å; V302-T304 PolarHBondContact O-N 2.78Å; V302-A305 PolarHBondContact O-N 3.11Å; V302-A306 WeakPolarHBondContact O-CB 3.19Å; V302-A306 PolarHBondContact O-N 2.76Å |
| 303 | Q | 94.7 | Very high | 94.2 | Very high | 23 Ų | 23 | 36.2 Ų | 36.2 | 11% | 0.107 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -56 | -43.6 | 178 | -65.3 | -177.6 | -53.3 | 0 | 0 | 112.3 | L295 H297 E299 V300 A306 L307 | L295-Q303 WeakPolarHBondContact O-CG 3.34Å; L295-Q303 PolarHBondContact O-NE2 2.81Å; H297-Q303 HydrophobicContact CB-CG 4.15Å; H297-Q303 WeakPolarHBondContact O-CG 3.49Å; H297-Q303 PolarHBondContact O-NE2 2.87Å; E299-Q303 PolarHBondContact O-N 2.75Å; E299-Q303 VanDerWaalsContact O-N 3.13Å; V300-Q303 PolarHBondContact O-N 2.8Å; Q303-A306 PolarHBondContact O-N 2.84Å; Q303-L307 WeakPolarHBondContact O-CB 3.44Å; Q303-L307 PolarHBondContact O-N 3.37Å |
| 304 | T | 88.8 | Confident | 93.9 | Very high | 31 Ų | 31 | 33 Ų | 33 | 19% | 0.19 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.8 | -44.8 | -179.9 | -57.9 | 0 | 0 | 0 | 0 | 111.3 | V300 V302 R308 | V300-T304 WeakPolarHBondContact O-CB 3.38Å; V300-T304 PolarHBondContact O-N 2.78Å; V300-T304 PolarHBondContact O-OG1 2.91Å; V302-T304 VanDerWaalsContact C-N 3.29Å; V302-T304 PolarHBondContact O-N 2.78Å; T304-R308 WeakPolarHBondContact O-CB 3.12Å; T304-R308 PolarHBondContact O-N 3.43Å; T304-R308 VanDerWaalsContact O-N 3.11Å |
| 305 | A | 90.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.8 | -40.9 | 179 | 0 | 0 | 0 | 0 | 0 | 111.2 | V265 W266 K301 V302 R308 A309 | V265-A305 HydrophobicContact CB-CB 3.98Å; V265-A305 VanDerWaalsContact CG1-C 3.42Å; V265-A305 HydrophobicContact CG1-CB 3.54Å; W266-A305 HydrophobicContact CD2-CB 3.94Å; W266-A305 HydrophobicContact CG-CB 4.01Å; W266-A305 HydrophobicContact CZ2-CB 4.32Å; K301-A305 PolarHBondContact O-N 3.32Å; V302-A305 PolarHBondContact O-N 3.11Å; A305-R308 PolarHBondContact O-N 3.46Å; A305-A309 WeakPolarHBondContact O-CB 3.19Å; A305-A309 PolarHBondContact O-N 3.16Å |
| 306 | A | 97.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.1 | -47.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | V265 L291 L294 L295 V302 Q303 R308 A309 V310 | V265-A306 HydrophobicContact CG1-CB 4Å; V265-A306 VanDerWaalsContact CG1-N 3.26Å; L291-A306 HydrophobicContact CD1-CB 4.24Å; L294-A306 HydrophobicContact CB-CB 3.73Å; L295-A306 HydrophobicContact CD2-CB 4.18Å; V302-A306 WeakPolarHBondContact O-CB 3.19Å; V302-A306 PolarHBondContact O-N 2.76Å; Q303-A306 PolarHBondContact O-N 2.84Å; A306-R308 VanDerWaalsContact C-N 3.28Å; A306-R308 PolarHBondContact O-N 3.14Å; A306-A309 PolarHBondContact O-N 3.48Å; A306-A309 VanDerWaalsContact O-N 3.15Å; A306-V310 WeakPolarHBondContact O-CG2 3.32Å; A306-V310 PolarHBondContact O-N 2.95Å |
| 307 | L | 94.9 | Very high | 92.4 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.9 | -41 | 176.5 | -177.9 | 55.6 | 0 | 0 | 0 | 111.6 | L295 Q303 G311 F333 L336 I344 E347 A348 F351 | L295-L307 VanDerWaalsContact CD2-CA 3.45Å; L295-L307 HydrophobicContact CD2-CB 3.8Å; L295-L307 HydrophobicContact CD2-CD1 4.08Å; Q303-L307 WeakPolarHBondContact O-CB 3.44Å; Q303-L307 PolarHBondContact O-N 3.37Å; L307-G311 WeakPolarHBondContact O-CA 3.4Å; L307-G311 PolarHBondContact O-N 3.44Å; L307-F333 HydrophobicContact CD1-CE1 4.44Å; L307-F333 HydrophobicContact CD1-CZ 3.98Å; L307-L336 HydrophobicContact CD1-CD1 4.14Å; L307-I344 HydrophobicContact CD2-CG2 4.24Å; L307-E347 HydrophobicContact CD2-CB 3.6Å; L307-E347 HydrophobicContact CG-CB 4.06Å; L307-A348 HydrophobicContact CD2-CB 4.38Å; L307-F351 HydrophobicContact CD1-CB 4.42Å |
| 308 | R | 92.3 | Very high | 92 | Very high | 36 Ų | 36 | 32.9 Ų | 32.9 | 14% | 0.136 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64 | -47.8 | 174.5 | -177.4 | 57 | 65.9 | 89.3 | -4.9 | 111.9 | E35 T304 A305 A306 G311 N312 E347 | E35-R308 IonicContact OE1-NH1 2.86Å; E35-R308 PolarHBondContact OE1-NH1 2.97Å; T304-R308 WeakPolarHBondContact O-CB 3.12Å; T304-R308 PolarHBondContact O-N 3.43Å; T304-R308 VanDerWaalsContact O-N 3.11Å; A305-R308 PolarHBondContact O-N 3.46Å; A306-R308 VanDerWaalsContact C-N 3.28Å; A306-R308 PolarHBondContact O-N 3.14Å; R308-G311 PolarHBondContact O-N 3.31Å; R308-N312 WeakPolarHBondContact CD-OD1 3.34Å; R308-N312 WeakPolarHBondContact O-CB 3.47Å; R308-N312 PolarHBondContact O-N 3.41Å; R308-N312 PolarHBondContact O-OD1 2.58Å; R308-E347 IonicContact CZ-OE1 3.41Å; R308-E347 IonicContact CZ-OE2 2.66Å; R308-E347 IonicContact NE-OE2 2.7Å; R308-E347 PolarHBondContact NE-OE2 3.23Å; R308-E347 VanDerWaalsContact NH2-CD 3.29Å; R308-E347 IonicContact NH2-OE1 3.53Å; R308-E347 PolarHBondContact NH2-OE1 3.1Å; R308-E347 IonicContact NH2-OE2 2.64Å; R308-E347 PolarHBondContact NH2-OE2 2.92Å |
| 309 | A | 93.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.1 | -48.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T272 L291 A305 A306 G311 N312 I313 | T272-A309 PolarHBondContact OG1-O 3.08Å; L291-A309 HydrophobicContact CD1-CB 4.07Å; L291-A309 HydrophobicContact CD2-CB 3.62Å; L291-A309 HydrophobicContact CG-CB 4.36Å; A305-A309 WeakPolarHBondContact O-CB 3.19Å; A305-A309 PolarHBondContact O-N 3.16Å; A306-A309 PolarHBondContact O-N 3.48Å; A306-A309 VanDerWaalsContact O-N 3.15Å; A309-G311 VanDerWaalsContact C-N 3.33Å; A309-G311 PolarHBondContact O-N 3.05Å; A309-N312 PolarHBondContact O-N 3.3Å; A309-I313 WeakPolarHBondContact O-CG1 3.41Å; A309-I313 PolarHBondContact O-N 2.75Å |
| 310 | V | 97.1 | Very high | 92 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -68.5 | -33.8 | 176.7 | -57.9 | 0 | 0 | 0 | 0 | 112.1 | L291 V292 L295 A306 I313 V314 V324 F351 | L291-V310 HydrophobicContact CD2-CG1 3.62Å; L291-V310 HydrophobicContact CG-CG1 3.72Å; V292-V310 HydrophobicContact CG2-CG1 4.12Å; L295-V310 HydrophobicContact CD1-CG2 4.25Å; L295-V310 HydrophobicContact CD2-CG2 3.95Å; A306-V310 WeakPolarHBondContact O-CG2 3.32Å; A306-V310 PolarHBondContact O-N 2.95Å; V310-I313 PolarHBondContact O-N 2.9Å; V310-V314 PolarHBondContact O-N 2.97Å; V310-V324 HydrophobicContact CB-CG1 4.23Å; V310-F351 HydrophobicContact CB-CE2 4.07Å; V310-F351 HydrophobicContact CG2-CD2 3.93Å; V310-F351 HydrophobicContact CG2-CE2 3.72Å |
| 311 | G | 92.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.2 | -40.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | L307 R308 A309 V314 T315 W350 | L307-G311 WeakPolarHBondContact O-CA 3.4Å; L307-G311 PolarHBondContact O-N 3.44Å; R308-G311 PolarHBondContact O-N 3.31Å; A309-G311 VanDerWaalsContact C-N 3.33Å; A309-G311 PolarHBondContact O-N 3.05Å; G311-V314 WeakPolarHBondContact O-CG2 3.4Å; G311-V314 PolarHBondContact O-N 2.86Å; G311-T315 WeakPolarHBondContact O-CG2 3.4Å; G311-T315 PolarHBondContact O-N 3.05Å; G311-W350 WeakPolarHBondContact O-CH2 3.37Å |
| 312 | N | 90.2 | Very high | 92.4 | Very high | 6 Ų | 6 | 20.5 Ų | 20.5 | 3% | 0.032 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.1 | -41.7 | 174.5 | -70.8 | -7.9 | 0 | 0 | 0 | 111.4 | S269 T272 D273 R308 A309 V314 T315 W350 | S269-N312 PolarHBondContact O-ND2 3.45Å; T272-N312 WeakPolarHBondContact O-CB 3.4Å; T272-N312 WeakPolarHBondContact OG1-CB 3.44Å; T272-N312 PolarHBondContact OG1-ND2 3.17Å; D273-N312 WeakPolarHBondContact CB-ND2 3.4Å; R308-N312 WeakPolarHBondContact CD-OD1 3.34Å; R308-N312 WeakPolarHBondContact O-CB 3.47Å; R308-N312 PolarHBondContact O-N 3.41Å; R308-N312 PolarHBondContact O-OD1 2.58Å; A309-N312 PolarHBondContact O-N 3.3Å; N312-V314 VanDerWaalsContact C-N 3.3Å; N312-V314 PolarHBondContact O-N 3.41Å; N312-T315 WeakPolarHBondContact O-CB 3.5Å; N312-T315 PolarHBondContact O-N 2.93Å; N312-T315 VanDerWaalsContact O-N 3.13Å; N312-T315 PolarHBondContact O-OG1 3.08Å; N312-W350 WeakPolarHBondContact OD1-CH2 3.43Å |
| 313 | I | 91.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -58.4 | -42.9 | 177.6 | -64.5 | 167.7 | 0 | 0 | 0 | 111.4 | T272 I279 I283 V288 L291 A309 V310 T315 G316 V324 | T272-I313 HydrophobicContact CG2-CD1 3.92Å; T272-I313 HydrophobicContact CG2-CG1 3.5Å; I279-I313 HydrophobicContact CG2-CB 4.32Å; I279-I313 HydrophobicContact CG2-CG1 4.39Å; I279-I313 HydrophobicContact CG2-CG2 3.92Å; I283-I313 HydrophobicContact CD1-CG2 3.94Å; I283-I313 HydrophobicContact CG1-CG2 4.27Å; V288-I313 HydrophobicContact CG2-CD1 3.98Å; L291-I313 HydrophobicContact CD2-CD1 4.28Å; A309-I313 WeakPolarHBondContact O-CG1 3.41Å; A309-I313 PolarHBondContact O-N 2.75Å; V310-I313 PolarHBondContact O-N 2.9Å; I313-T315 PolarHBondContact O-N 3.29Å; I313-G316 PolarHBondContact O-N 3.43Å; I313-V324 HydrophobicContact CB-CG2 3.96Å; I313-V324 HydrophobicContact CG2-CG2 3.34Å |
| 314 | V | 92.1 | Very high | 92.8 | Very high | 3 Ų | 3 | 21.6 Ų | 21.6 | 2% | 0.018 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -2.1 | -177.6 | -57 | 0 | 0 | 0 | 0 | 114.1 | V310 G311 N312 T321 V324 F351 N354 I355 | V310-V314 PolarHBondContact O-N 2.97Å; G311-V314 WeakPolarHBondContact O-CG2 3.4Å; G311-V314 PolarHBondContact O-N 2.86Å; N312-V314 VanDerWaalsContact C-N 3.3Å; N312-V314 PolarHBondContact O-N 3.41Å; V314-T321 WeakPolarHBondContact CA-OG1 3.34Å; V314-T321 HydrophobicContact CB-CG2 4.29Å; V314-T321 HydrophobicContact CG1-CG2 4.24Å; V314-T321 PolarHBondContact O-OG1 3.14Å; V314-V324 HydrophobicContact CG1-CB 3.96Å; V314-V324 HydrophobicContact CG1-CG1 4.18Å; V314-V324 HydrophobicContact CG1-CG2 3.9Å; V314-F351 HydrophobicContact CB-CE2 4.38Å; V314-F351 HydrophobicContact CG1-CE2 3.68Å; V314-F351 HydrophobicContact CG1-CZ 3.82Å; V314-F351 HydrophobicContact CG2-CD2 3.73Å; V314-F351 HydrophobicContact CG2-CE2 3.74Å; V314-F351 HydrophobicContact CG2-CG 4.22Å; V314-F351 HydrophobicContact CG2-CZ 4.29Å; V314-N354 HydrophobicContact CG2-CB 3.87Å; V314-I355 HydrophobicContact CB-CD1 3.79Å; V314-I355 HydrophobicContact CG1-CD1 3.65Å; V314-I355 HydrophobicContact CG2-CD1 4.21Å |
| 315 | T | 88.8 | Confident | 93.3 | Very high | 63 Ų | 63 | 21.1 Ų | 21.1 | 39% | 0.387 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -16.2 | 164.6 | 71.1 | 0 | 0 | 0 | 0 | 112.8 | G311 N312 I313 W350 | G311-T315 WeakPolarHBondContact O-CG2 3.4Å; G311-T315 PolarHBondContact O-N 3.05Å; N312-T315 WeakPolarHBondContact O-CB 3.5Å; N312-T315 PolarHBondContact O-N 2.93Å; N312-T315 VanDerWaalsContact O-N 3.13Å; N312-T315 PolarHBondContact O-OG1 3.08Å; I313-T315 PolarHBondContact O-N 3.29Å; T315-W350 HydrophobicContact CG2-CH2 4.2Å; T315-W350 HydrophobicContact CG2-CZ2 3.79Å |
| 316 | G | 85.2 | Confident | 93.7 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -73.7 | -158.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | R11 I313 | R11-G316 PolarHBondContact NH2-O 2.87Å; I313-G316 PolarHBondContact O-N 3.43Å |
| 317 | T | 89.1 | Confident | 93.7 | Very high | 33 Ų | 33 | 28.4 Ų | 28.4 | 20% | 0.202 | 15% | 0.15 | C | C | . | . | trans | -68.6 | 172 | -177.1 | 80.5 | 0 | 0 | 0 | 0 | 113.5 | N276 E319 Q320 T321 | N276-T317 WeakPolarHBondContact ND2-CG2 3.28Å; T317-E319 WeakPolarHBondContact CB-OE2 3.17Å; T317-E319 PolarHBondContact O-N 3.02Å; T317-E319 PolarHBondContact OG1-N 2.95Å; T317-E319 PolarHBondContact OG1-OE2 2.66Å; T317-Q320 PolarHBondContact O-N 3.45Å; T317-Q320 PolarHBondContact OG1-N 3Å; T317-T321 PolarHBondContact O-N 3.22Å; T317-T321 PolarHBondContact O-OG1 3.46Å | ||
| 318 | D | 89.3 | Confident | 93.9 | Very high | 33 Ų | 33 | 33.1 Ų | 33.1 | 18% | 0.176 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.7 | -36 | -179.7 | -79.4 | 11.8 | 0 | 0 | 0 | 109.3 | R11 T321 Q322 N359 Q362 | R11-D318 IonicContact CZ-OD1 2.91Å; R11-D318 IonicContact NH1-OD1 2.78Å; R11-D318 PolarHBondContact NH1-OD1 3.03Å; R11-D318 IonicContact NH2-OD1 2.81Å; D318-T321 PolarHBondContact O-N 2.76Å; D318-Q322 VanDerWaalsContact O-CB 3.31Å; D318-Q322 WeakPolarHBondContact O-CB 3.43Å; D318-Q322 PolarHBondContact O-N 3.15Å; D318-N359 WeakPolarHBondContact OD2-CB 3.18Å; D318-N359 PolarHBondContact OD2-ND2 3.39Å; D318-Q362 PolarHBondContact O-NE2 2.91Å |
| 319 | E | 96.1 | Very high | 94.2 | Very high | 131 Ų | 131 | 31.4 Ų | 31.4 | 61% | 0.612 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -63.6 | -42.9 | 174.2 | -57.6 | 70.6 | -152.5 | 0 | 0 | 110.9 | T317 Q322 V323 | T317-E319 WeakPolarHBondContact CB-OE2 3.17Å; T317-E319 PolarHBondContact O-N 3.02Å; T317-E319 PolarHBondContact OG1-N 2.95Å; T317-E319 PolarHBondContact OG1-OE2 2.66Å; E319-Q322 WeakPolarHBondContact O-CB 3.07Å; E319-Q322 PolarHBondContact O-N 3.15Å; E319-V323 WeakPolarHBondContact O-CG2 3.46Å; E319-V323 PolarHBondContact O-N 2.9Å; E319-V323 VanDerWaalsContact O-N 3.11Å |
| 320 | Q | 92.8 | Very high | 94.4 | Very high | 5 Ų | 5 | 32.2 Ų | 32.2 | 2% | 0.023 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.8 | -43.9 | 177.3 | -66.2 | 178.5 | -30.1 | 0 | 0 | 111.4 | N276 I279 I283 T317 Q322 V323 | N276-Q320 PolarHBondContact O-NE2 3.27Å; I279-Q320 HydrophobicContact CG2-CB 4.3Å; I279-Q320 HydrophobicContact CG2-CG 4.31Å; I283-Q320 HydrophobicContact CD1-CB 3.72Å; I283-Q320 HydrophobicContact CD1-CG 3.72Å; T317-Q320 PolarHBondContact O-N 3.45Å; T317-Q320 PolarHBondContact OG1-N 3Å; Q320-Q322 VanDerWaalsContact C-N 3.28Å; Q320-Q322 PolarHBondContact O-N 3.39Å; Q320-V323 WeakPolarHBondContact O-CB 3.42Å; Q320-V323 PolarHBondContact O-N 3.1Å |
| 321 | T | 93.4 | Very high | 94.5 | Very high | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.018 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.9 | -41.3 | 171.6 | -66.1 | 0 | 0 | 0 | 0 | 111.5 | V314 T317 D318 V323 V324 L325 I355 | V314-T321 WeakPolarHBondContact CA-OG1 3.34Å; V314-T321 HydrophobicContact CB-CG2 4.29Å; V314-T321 HydrophobicContact CG1-CG2 4.24Å; V314-T321 PolarHBondContact O-OG1 3.14Å; T317-T321 PolarHBondContact O-N 3.22Å; T317-T321 PolarHBondContact O-OG1 3.46Å; D318-T321 PolarHBondContact O-N 2.76Å; T321-V323 VanDerWaalsContact C-N 3.3Å; T321-V323 PolarHBondContact O-N 3.49Å; T321-V324 PolarHBondContact O-N 3.26Å; T321-V324 VanDerWaalsContact O-N 3.14Å; T321-L325 HydrophobicContact CG2-CD1 4.19Å; T321-L325 HydrophobicContact CG2-CG 4.46Å; T321-L325 PolarHBondContact O-N 2.79Å; T321-L325 VanDerWaalsContact O-N 3.08Å; T321-I355 HydrophobicContact CG2-CD1 3.42Å; T321-I355 VanDerWaalsContact CG2-CD1 3.42Å |
| 322 | Q | 97.8 | Very high | 94.8 | Very high | 61 Ų | 61 | 36.5 Ų | 36.5 | 29% | 0.285 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.6 | -33.8 | 179.6 | -166.6 | 59.8 | 47.2 | 0 | 0 | 112.5 | D318 E319 Q320 V324 L325 N326 | D318-Q322 VanDerWaalsContact O-CB 3.31Å; D318-Q322 WeakPolarHBondContact O-CB 3.43Å; D318-Q322 PolarHBondContact O-N 3.15Å; E319-Q322 WeakPolarHBondContact O-CB 3.07Å; E319-Q322 PolarHBondContact O-N 3.15Å; Q320-Q322 VanDerWaalsContact C-N 3.28Å; Q320-Q322 PolarHBondContact O-N 3.39Å; Q322-V324 VanDerWaalsContact C-N 3.29Å; Q322-V324 PolarHBondContact O-N 2.99Å; Q322-L325 PolarHBondContact O-N 3.39Å; Q322-N326 PolarHBondContact NE2-OD1 2.98Å; Q322-N326 WeakPolarHBondContact O-CB 3.49Å; Q322-N326 PolarHBondContact O-N 3Å; Q322-N326 PolarHBondContact O-ND2 3.37Å; Q322-N326 PolarHBondContact O-OD1 3.19Å |
| 323 | V | 98.4 | Very high | 95.2 | Very high | 46 Ų | 46 | 36.2 Ų | 36.2 | 28% | 0.279 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -58.9 | -42.4 | 174.3 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | I283 V288 E319 Q320 T321 N326 C327 | I283-V323 HydrophobicContact CG1-CG1 4.43Å; I283-V323 HydrophobicContact CG2-CG1 4.04Å; I283-V323 HydrophobicContact CG2-CG2 4.1Å; V288-V323 HydrophobicContact CB-CG1 4.46Å; V288-V323 HydrophobicContact CG1-CG1 4.4Å; V288-V323 HydrophobicContact CG2-CG1 4.45Å; E319-V323 WeakPolarHBondContact O-CG2 3.46Å; E319-V323 PolarHBondContact O-N 2.9Å; E319-V323 VanDerWaalsContact O-N 3.11Å; Q320-V323 WeakPolarHBondContact O-CB 3.42Å; Q320-V323 PolarHBondContact O-N 3.1Å; T321-V323 VanDerWaalsContact C-N 3.3Å; T321-V323 PolarHBondContact O-N 3.49Å; V323-N326 PolarHBondContact O-N 2.86Å; V323-C327 PolarHBondContact O-SG 3.07Å |
| 324 | V | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69.8 | -42 | 178.8 | -168.7 | 0 | 0 | 0 | 0 | 110.7 | V288 V292 V310 I313 V314 T321 Q322 N326 C327 V329 F351 | V288-V324 HydrophobicContact CG1-CG2 4.26Å; V292-V324 HydrophobicContact CG2-CG1 4.21Å; V310-V324 HydrophobicContact CB-CG1 4.23Å; I313-V324 HydrophobicContact CB-CG2 3.96Å; I313-V324 HydrophobicContact CG2-CG2 3.34Å; V314-V324 HydrophobicContact CG1-CB 3.96Å; V314-V324 HydrophobicContact CG1-CG1 4.18Å; V314-V324 HydrophobicContact CG1-CG2 3.9Å; T321-V324 PolarHBondContact O-N 3.26Å; T321-V324 VanDerWaalsContact O-N 3.14Å; Q322-V324 VanDerWaalsContact C-N 3.29Å; Q322-V324 PolarHBondContact O-N 2.99Å; V324-N326 VanDerWaalsContact C-N 3.31Å; V324-N326 PolarHBondContact O-N 3.32Å; V324-C327 WeakPolarHBondContact O-CB 3.28Å; V324-C327 PolarHBondContact O-N 3.44Å; V324-C327 VanDerWaalsContact O-N 3.07Å; V324-V329 HydrophobicContact CG1-CB 3.83Å; V324-V329 HydrophobicContact CG1-CG1 3.9Å; V324-V329 HydrophobicContact CG1-CG2 3.77Å; V324-V329 WeakPolarHBondContact O-CB 3.35Å; V324-V329 WeakPolarHBondContact O-CG1 3.49Å; V324-F351 HydrophobicContact CG1-CE2 4.37Å; V324-F351 HydrophobicContact CG1-CZ 4.27Å |
| 325 | L | 98.4 | Very high | 95.8 | Very high | 22 Ų | 22 | 43.7 Ų | 43.7 | 12% | 0.115 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.4 | -39.8 | 175.3 | -69 | 175.6 | 0 | 0 | 0 | 112.4 | T321 Q322 C327 D328 V329 L330 I355 Q362 | T321-L325 HydrophobicContact CG2-CD1 4.19Å; T321-L325 HydrophobicContact CG2-CG 4.46Å; T321-L325 PolarHBondContact O-N 2.79Å; T321-L325 VanDerWaalsContact O-N 3.08Å; Q322-L325 PolarHBondContact O-N 3.39Å; L325-C327 PolarHBondContact O-N 3.09Å; L325-C327 VanDerWaalsContact O-N 3.12Å; L325-D328 PolarHBondContact O-N 3Å; L325-V329 HydrophobicContact CD2-CG1 4.05Å; L325-L330 HydrophobicContact CD2-CD1 3.77Å; L325-L330 HydrophobicContact CD2-CD2 4.03Å; L325-L330 HydrophobicContact CD2-CG 3.76Å; L325-I355 HydrophobicContact CD2-CD1 4.28Å; L325-I355 HydrophobicContact CD2-CG2 4.39Å; L325-Q362 HydrophobicContact CD1-CB 4.13Å; L325-Q362 HydrophobicContact CD1-CG 3.73Å |
| 326 | N | 98.3 | Very high | 96.2 | Very high | 119 Ų | 119 | 40.8 Ų | 40.8 | 64% | 0.636 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -14.5 | 176.9 | -67.7 | -13.1 | 0 | 0 | 0 | 113.3 | Q322 V323 V324 D328 | Q322-N326 PolarHBondContact NE2-OD1 2.98Å; Q322-N326 WeakPolarHBondContact O-CB 3.49Å; Q322-N326 PolarHBondContact O-N 3Å; Q322-N326 PolarHBondContact O-ND2 3.37Å; Q322-N326 PolarHBondContact O-OD1 3.19Å; V323-N326 PolarHBondContact O-N 2.86Å; V324-N326 VanDerWaalsContact C-N 3.31Å; V324-N326 PolarHBondContact O-N 3.32Å; N326-D328 VanDerWaalsContact C-N 3.31Å |
| 327 | C | 98.2 | Very high | 96.8 | Very high | 33 Ų | 33 | 40.9 Ų | 40.9 | 22% | 0.223 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 16.8 | 174.9 | -61.5 | 0 | 0 | 0 | 0 | 113.1 | V292 V323 V324 L325 V329 | V292-C327 HydrophobicContact CB-CB 4.21Å; V292-C327 HydrophobicContact CG1-CB 4.39Å; V292-C327 WeakPolarHBondContact CG1-O 3.39Å; V292-C327 HydrophobicContact CG2-CB 3.86Å; V323-C327 PolarHBondContact O-SG 3.07Å; V324-C327 WeakPolarHBondContact O-CB 3.28Å; V324-C327 PolarHBondContact O-N 3.44Å; V324-C327 VanDerWaalsContact O-N 3.07Å; L325-C327 PolarHBondContact O-N 3.09Å; L325-C327 VanDerWaalsContact O-N 3.12Å; C327-V329 PolarHBondContact O-N 3.43Å |
| 328 | D | 97.9 | Very high | 97.2 | Very high | 102 Ų | 102 | 43.9 Ų | 43.9 | 55% | 0.545 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 33.2 | -178.9 | -168.8 | 42.7 | 0 | 0 | 0 | 113.7 | L325 N326 L330 S331 | L325-D328 PolarHBondContact O-N 3Å; N326-D328 VanDerWaalsContact C-N 3.31Å; D328-L330 PolarHBondContact O-N 3.29Å; D328-L330 VanDerWaalsContact O-N 3.14Å; D328-S331 PolarHBondContact O-N 3.23Å; D328-S331 PolarHBondContact O-OG 2.93Å; D328-S331 VanDerWaalsContact OD2-CB 3.22Å; D328-S331 WeakPolarHBondContact OD2-CB 3.5Å; D328-S331 PolarHBondContact OD2-OG 3.25Å |
| 329 | V | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -58 | -33.8 | -175.1 | 71.4 | 0 | 0 | 0 | 0 | 113.4 | V292 L295 V324 L325 C327 S331 H332 F333 F351 | V292-V329 HydrophobicContact CG1-CB 4.01Å; V292-V329 HydrophobicContact CG1-CG2 4.1Å; V292-V329 HydrophobicContact CG2-CB 4.25Å; V292-V329 HydrophobicContact CG2-CG2 4.13Å; L295-V329 HydrophobicContact CD1-CG2 3.66Å; V324-V329 HydrophobicContact CG1-CB 3.83Å; V324-V329 HydrophobicContact CG1-CG1 3.9Å; V324-V329 HydrophobicContact CG1-CG2 3.77Å; V324-V329 WeakPolarHBondContact O-CB 3.35Å; V324-V329 WeakPolarHBondContact O-CG1 3.49Å; L325-V329 HydrophobicContact CD2-CG1 4.05Å; C327-V329 PolarHBondContact O-N 3.43Å; V329-S331 VanDerWaalsContact C-N 3.29Å; V329-S331 PolarHBondContact O-N 3.26Å; V329-H332 PolarHBondContact O-N 3.18Å; V329-F333 HydrophobicContact CG2-CE2 4.03Å; V329-F333 VanDerWaalsContact O-CD2 3.28Å; V329-F333 WeakPolarHBondContact O-CD2 3.18Å; V329-F351 HydrophobicContact CB-CZ 4.49Å; V329-F351 HydrophobicContact CG1-CE1 4.33Å; V329-F351 HydrophobicContact CG1-CZ 3.85Å; V329-F351 HydrophobicContact CG2-CE2 4.25Å; V329-F351 HydrophobicContact CG2-CZ 3.8Å |
| 330 | L | 98.6 | Very high | 97.5 | Very high | 16 Ų | 16 | 43.2 Ų | 43.2 | 8% | 0.084 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -68.6 | -25.2 | -174.7 | -61.9 | -177.3 | 0 | 0 | 0 | 112.7 | L325 D328 H332 F333 F351 L352 A365 A369 L371 | L325-L330 HydrophobicContact CD2-CD1 3.77Å; L325-L330 HydrophobicContact CD2-CD2 4.03Å; L325-L330 HydrophobicContact CD2-CG 3.76Å; D328-L330 PolarHBondContact O-N 3.29Å; D328-L330 VanDerWaalsContact O-N 3.14Å; L330-H332 PolarHBondContact O-N 2.87Å; L330-H332 VanDerWaalsContact O-N 3.16Å; L330-F333 PolarHBondContact O-N 3.45Å; L330-F333 VanDerWaalsContact O-N 3.09Å; L330-F351 HydrophobicContact CD2-CE1 4.23Å; L330-L352 HydrophobicContact CD2-CD2 3.94Å; L330-A365 HydrophobicContact CD1-CB 3.88Å; L330-A365 WeakPolarHBondContact CD1-O 3.36Å; L330-A369 HydrophobicContact CB-CB 3.87Å; L330-A369 HydrophobicContact CD1-CB 3.99Å; L330-L371 HydrophobicContact CB-CD1 4.17Å; L330-L371 HydrophobicContact CD2-CD1 4Å |
| 331 | S | 98.4 | Very high | 97.5 | Very high | 60 Ų | 60 | 48.2 Ų | 48.2 | 42% | 0.42 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -65.5 | -19 | 179.2 | 71.8 | 0 | 0 | 0 | 0 | 113.1 | D328 V329 P334 | D328-S331 PolarHBondContact O-N 3.23Å; D328-S331 PolarHBondContact O-OG 2.93Å; D328-S331 VanDerWaalsContact OD2-CB 3.22Å; D328-S331 WeakPolarHBondContact OD2-CB 3.5Å; D328-S331 PolarHBondContact OD2-OG 3.25Å; V329-S331 VanDerWaalsContact C-N 3.29Å; V329-S331 PolarHBondContact O-N 3.26Å; S331-P334 WeakPolarHBondContact O-CD 3.48Å |
| 332 | H | 98.5 | Very high | 97.4 | Very high | 31 Ų | 31 | 54.1 Ų | 54.1 | 14% | 0.144 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -84.1 | -18 | 176.5 | -58.6 | -67.4 | 0 | 0 | 0 | 113.8 | L295 S296 V329 L330 P334 N335 L336 | L295-H332 HydrophobicContact CB-CB 3.91Å; L295-H332 HydrophobicContact CD1-CB 4.08Å; S296-H332 PolarHBondContact OG-ND1 3.11Å; V329-H332 PolarHBondContact O-N 3.18Å; L330-H332 PolarHBondContact O-N 2.87Å; L330-H332 VanDerWaalsContact O-N 3.16Å; H332-P334 VanDerWaalsContact C-CD 3.49Å; H332-N335 PolarHBondContact O-N 2.9Å; H332-L336 PolarHBondContact O-N 3.49Å |
| 333 | F | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -70.9 | -28.4 | -170.1 | -85.2 | -106 | 0 | 0 | 0 | 115.9 | L295 L307 V329 L330 N335 L336 L337 A348 F351 L352 L371 | L295-F333 HydrophobicContact CD1-CE2 4.16Å; L307-F333 HydrophobicContact CD1-CE1 4.44Å; L307-F333 HydrophobicContact CD1-CZ 3.98Å; V329-F333 HydrophobicContact CG2-CE2 4.03Å; V329-F333 VanDerWaalsContact O-CD2 3.28Å; V329-F333 WeakPolarHBondContact O-CD2 3.18Å; L330-F333 PolarHBondContact O-N 3.45Å; L330-F333 VanDerWaalsContact O-N 3.09Å; F333-N335 VanDerWaalsContact C-N 3.29Å; F333-N335 PolarHBondContact O-N 3.36Å; F333-L336 HydrophobicContact CD2-CD1 4.21Å; F333-L336 HydrophobicContact CE1-CD1 4.41Å; F333-L336 HydrophobicContact CE2-CD1 4.08Å; F333-L336 HydrophobicContact CG-CD1 4.4Å; F333-L336 HydrophobicContact CZ-CD1 4.18Å; F333-L336 PolarHBondContact O-N 2.74Å; F333-L337 WeakPolarHBondContact O-CB 3.05Å; F333-L337 VanDerWaalsContact O-CG 3.28Å; F333-L337 WeakPolarHBondContact O-CG 3.15Å; F333-L337 PolarHBondContact O-N 3.5Å; F333-A348 HydrophobicContact CD1-CB 4.06Å; F333-A348 HydrophobicContact CE1-CB 3.91Å; F333-A348 WeakPolarHBondContact CE1-O 3.42Å; F333-F351 HydrophobicContact CD1-CD1 4.36Å; F333-F351 HydrophobicContact CE1-CB 3.8Å; F333-F351 AromaticContact CE1-CD1 3.35Å; F333-F351 HydrophobicContact CE1-CD1 3.35Å; F333-F351 HydrophobicContact CE1-CE1 4.09Å; F333-F351 AromaticContact CE1-CG 3.69Å; F333-F351 HydrophobicContact CE1-CG 3.69Å; F333-F351 AromaticContact CE2-CD1 3.88Å; F333-F351 HydrophobicContact CE2-CD1 3.88Å; F333-F351 AromaticContact CE2-CE1 3.8Å; F333-F351 HydrophobicContact CE2-CE1 3.8Å; F333-F351 HydrophobicContact CE2-CG 4.35Å; F333-F351 HydrophobicContact CE2-CZ 4.22Å; F333-F351 HydrophobicContact CZ-CB 3.84Å; F333-F351 AromaticContact CZ-CD1 3.07Å; F333-F351 HydrophobicContact CZ-CD1 3.07Å; F333-F351 AromaticContact CZ-CD2 3.83Å; F333-F351 HydrophobicContact CZ-CD2 3.83Å; F333-F351 AromaticContact CZ-CE1 3.48Å; F333-F351 HydrophobicContact CZ-CE1 3.48Å; F333-F351 VanDerWaalsContact CZ-CE1 3.48Å; F333-F351 HydrophobicContact CZ-CE2 4.2Å; F333-F351 AromaticContact CZ-CG 3.3Å; F333-F351 HydrophobicContact CZ-CG 3.3Å; F333-F351 HydrophobicContact CZ-CZ 4.05Å; F333-L352 HydrophobicContact CD1-CD1 3.77Å; F333-L352 HydrophobicContact CD1-CD2 3.81Å; F333-L352 HydrophobicContact CD1-CG 3.67Å; F333-L352 HydrophobicContact CE1-CD1 4.43Å; F333-L352 HydrophobicContact CE1-CD2 4.14Å; F333-L352 HydrophobicContact CE1-CG 3.9Å; F333-L352 HydrophobicContact CG-CD2 4.28Å; F333-L371 HydrophobicContact CB-CD1 3.83Å; F333-L371 HydrophobicContact CB-CD2 3.8Å; F333-L371 HydrophobicContact CG-CD1 4.44Å |
| 334 | P | 98.5 | Very high | 96.8 | Very high | 48 Ų | 48 | 54.1 Ų | 54.1 | 31% | 0.312 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -55.8 | -45.6 | 174.6 | -28.3 | 37 | 0 | 0 | 0 | 112.3 | S331 H332 L336 L337 T338 L371 M374 | S331-P334 WeakPolarHBondContact O-CD 3.48Å; H332-P334 VanDerWaalsContact C-CD 3.49Å; P334-L336 PolarHBondContact O-N 3.43Å; P334-L337 PolarHBondContact O-N 3.26Å; P334-T338 PolarHBondContact O-N 3.45Å; P334-T338 PolarHBondContact O-OG1 2.87Å; P334-T338 VanDerWaalsContact O-OG1 3.13Å; P334-L371 HydrophobicContact CG-CD2 4.05Å; P334-M374 HydrophobicContact CB-CE 4.23Å; P334-M374 HydrophobicContact CB-SD 4.06Å; P334-M374 HydrophobicContact CG-SD 4.43Å; P334-M374 WeakPolarHBondContact O-CE 3.49Å |
| 335 | N | 97.9 | Very high | 96.8 | Very high | 112 Ų | 112 | 54.5 Ų | 54.5 | 60% | 0.599 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -69.5 | -33.3 | 179.3 | -69.2 | -30.3 | 0 | 0 | 0 | 113 | H332 F333 H339 | H332-N335 PolarHBondContact O-N 2.9Å; F333-N335 VanDerWaalsContact C-N 3.29Å; F333-N335 PolarHBondContact O-N 3.36Å; N335-H339 PolarHBondContact O-N 2.99Å |
| 336 | L | 98.1 | Very high | 96.6 | Very high | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -72 | -40 | 177.4 | -64.4 | 173.1 | 0 | 0 | 0 | 111.6 | L295 L307 H332 F333 P334 T338 H339 I344 N345 A348 | L295-L336 HydrophobicContact CB-CD1 4.32Å; L295-L336 HydrophobicContact CD2-CD1 4.32Å; L307-L336 HydrophobicContact CD1-CD1 4.14Å; H332-L336 PolarHBondContact O-N 3.49Å; F333-L336 HydrophobicContact CD2-CD1 4.21Å; F333-L336 HydrophobicContact CE1-CD1 4.41Å; F333-L336 HydrophobicContact CE2-CD1 4.08Å; F333-L336 HydrophobicContact CG-CD1 4.4Å; F333-L336 HydrophobicContact CZ-CD1 4.18Å; F333-L336 PolarHBondContact O-N 2.74Å; P334-L336 PolarHBondContact O-N 3.43Å; L336-T338 VanDerWaalsContact C-N 3.28Å; L336-T338 PolarHBondContact O-N 3.34Å; L336-H339 VanDerWaalsContact O-CB 3.29Å; L336-H339 WeakPolarHBondContact O-CB 3.37Å; L336-H339 PolarHBondContact O-N 3.25Å; L336-I344 HydrophobicContact CB-CG2 4.32Å; L336-I344 HydrophobicContact CD2-CG2 3.81Å; L336-N345 PolarHBondContact O-ND2 3.46Å; L336-A348 HydrophobicContact CB-CB 3.83Å |
| 337 | L | 98.1 | Very high | 96.4 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -71.9 | -20 | 178.7 | -70 | 174.5 | 0 | 0 | 0 | 113 | F333 P334 N345 A348 V349 L352 L371 M374 Q378 | F333-L337 WeakPolarHBondContact O-CB 3.05Å; F333-L337 VanDerWaalsContact O-CG 3.28Å; F333-L337 WeakPolarHBondContact O-CG 3.15Å; F333-L337 PolarHBondContact O-N 3.5Å; P334-L337 PolarHBondContact O-N 3.26Å; L337-N345 PolarHBondContact O-ND2 2.66Å; L337-A348 HydrophobicContact CD2-CB 3.97Å; L337-A348 HydrophobicContact CG-CB 4.47Å; L337-V349 HydrophobicContact CD2-CG2 3.52Å; L337-L352 HydrophobicContact CD1-CD1 3.86Å; L337-L352 HydrophobicContact CD2-CD1 4.16Å; L337-L352 HydrophobicContact CG-CD1 4.41Å; L337-L371 HydrophobicContact CD1-CD2 4.14Å; L337-M374 HydrophobicContact CB-CB 4.44Å; L337-M374 HydrophobicContact CB-CE 3.81Å; L337-M374 HydrophobicContact CD1-CB 3.58Å; L337-M374 HydrophobicContact CD1-CE 4.39Å; L337-M374 HydrophobicContact CD1-CG 4.45Å; L337-M374 HydrophobicContact CD1-SD 4.09Å; L337-Q378 HydrophobicContact CD2-CG 4.48Å; L337-Q378 PolarHBondContact O-NE2 3.17Å |
| 338 | T | 97 | Very high | 96.4 | Very high | 96 Ų | 96 | 51 Ų | 51 | 59% | 0.589 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.1 | 15.8 | 172.7 | 63.3 | 0 | 0 | 0 | 0 | 113.2 | P334 L336 M374 | P334-T338 PolarHBondContact O-N 3.45Å; P334-T338 PolarHBondContact O-OG1 2.87Å; P334-T338 VanDerWaalsContact O-OG1 3.13Å; L336-T338 VanDerWaalsContact C-N 3.28Å; L336-T338 PolarHBondContact O-N 3.34Å; T338-M374 HydrophobicContact CG2-CE 3.54Å |
| 339 | H | 97.1 | Very high | 96.4 | Very high | 30 Ų | 30 | 46.2 Ų | 46.2 | 14% | 0.139 | 24% | 0.244 | C | C | . | . | trans | -63.3 | 143 | -177.4 | -166.8 | -81.3 | 0 | 0 | 0 | 110.9 | N335 L336 K341 I344 N345 | N335-H339 PolarHBondContact O-N 2.99Å; L336-H339 VanDerWaalsContact O-CB 3.29Å; L336-H339 WeakPolarHBondContact O-CB 3.37Å; L336-H339 PolarHBondContact O-N 3.25Å; H339-K341 WeakPolarHBondContact ND1-CB 3.19Å; H339-K341 PolarHBondContact ND1-N 3.49Å; H339-K341 PolarHBondContact O-N 2.87Å; H339-I344 HydrophobicContact CB-CB 4.13Å; H339-I344 HydrophobicContact CB-CG2 3.76Å; H339-N345 PolarHBondContact N-ND2 3.45Å; H339-N345 VanDerWaalsContact N-ND2 3.17Å; H339-N345 PolarHBondContact O-ND2 3.41Å; H339-N345 VanDerWaalsContact O-ND2 3.15Å; H339-N345 PolarHBondContact O-OD1 3.08Å | ||
| 340 | P | 94.9 | Very high | 96.2 | Very high | 121 Ų | 121 | 48.1 Ų | 48.1 | 79% | 0.786 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -68.1 | -1.2 | 178.5 | 26.9 | -37.7 | 0 | 0 | 0 | 114.9 | ||
| 341 | K | 92.5 | Very high | 96.2 | Very high | 110 Ų | 110 | 47.4 Ų | 47.4 | 48% | 0.478 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -115.5 | 106 | 180 | -68.5 | -177.5 | 178 | -179.9 | 0 | 108.1 | V300 H339 K343 I344 N345 | V300-K341 HydrophobicContact CG1-CD 3.9Å; H339-K341 WeakPolarHBondContact ND1-CB 3.19Å; H339-K341 PolarHBondContact ND1-N 3.49Å; H339-K341 PolarHBondContact O-N 2.87Å; K341-K343 PolarHBondContact O-N 2.72Å; K341-I344 HydrophobicContact CB-CD1 4.44Å; K341-I344 WeakPolarHBondContact O-CB 3.34Å; K341-I344 PolarHBondContact O-N 3.49Å; K341-N345 PolarHBondContact O-N 3.33Å; K341-N345 PolarHBondContact O-OD1 3.17Å |
| 342 | E | 91.4 | Very high | 96.2 | Very high | 126 Ų | 126 | 44.5 Ų | 44.5 | 59% | 0.589 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -47.4 | -37.3 | -178.8 | -64.9 | 175.9 | 168.2 | 0 | 0 | 113.2 | I344 N345 K346 | E342-I344 VanDerWaalsContact C-N 3.26Å; E342-I344 PolarHBondContact O-N 2.75Å; E342-N345 WeakPolarHBondContact CA-OD1 3.3Å; E342-N345 PolarHBondContact N-OD1 2.96Å; E342-N345 WeakPolarHBondContact O-CB 3.44Å; E342-N345 PolarHBondContact O-N 3.2Å; E342-N345 VanDerWaalsContact O-N 3.11Å; E342-K346 PolarHBondContact O-N 3.43Å |
| 343 | K | 89.8 | Confident | 96 | Very high | 100 Ų | 100 | 43.2 Ų | 43.2 | 44% | 0.435 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.8 | -35 | 176.8 | -170.8 | -178.4 | 172.1 | -137.4 | 0 | 113.3 | K341 E347 | K341-K343 PolarHBondContact O-N 2.72Å; K343-E347 WeakPolarHBondContact O-CG 3.48Å; K343-E347 PolarHBondContact O-N 3.25Å |
| 344 | I | 94.7 | Very high | 95.7 | Very high | 7 Ų | 7 | 44.9 Ų | 44.9 | 4% | 0.036 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -73.5 | -41.7 | 175.8 | -73.1 | 172.3 | 0 | 0 | 0 | 110.2 | V300 L307 L336 H339 K341 E342 K346 E347 A348 | V300-I344 HydrophobicContact CG1-CD1 3.56Å; L307-I344 HydrophobicContact CD2-CG2 4.24Å; L336-I344 HydrophobicContact CB-CG2 4.32Å; L336-I344 HydrophobicContact CD2-CG2 3.81Å; H339-I344 HydrophobicContact CB-CB 4.13Å; H339-I344 HydrophobicContact CB-CG2 3.76Å; K341-I344 HydrophobicContact CB-CD1 4.44Å; K341-I344 WeakPolarHBondContact O-CB 3.34Å; K341-I344 PolarHBondContact O-N 3.49Å; E342-I344 VanDerWaalsContact C-N 3.26Å; E342-I344 PolarHBondContact O-N 2.75Å; I344-K346 VanDerWaalsContact C-N 3.29Å; I344-K346 PolarHBondContact O-N 3.21Å; I344-E347 PolarHBondContact O-N 2.91Å; I344-A348 WeakPolarHBondContact O-CB 3.47Å; I344-A348 PolarHBondContact O-N 2.96Å |
| 345 | N | 97.3 | Very high | 95.4 | Very high | 9 Ų | 9 | 42.6 Ų | 42.6 | 5% | 0.048 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.5 | -46.6 | 174.8 | -47.6 | 85.6 | 0 | 0 | 0 | 110.2 | L336 L337 H339 K341 E342 E347 A348 V349 | L336-N345 PolarHBondContact O-ND2 3.46Å; L337-N345 PolarHBondContact O-ND2 2.66Å; H339-N345 PolarHBondContact N-ND2 3.45Å; H339-N345 VanDerWaalsContact N-ND2 3.17Å; H339-N345 PolarHBondContact O-ND2 3.41Å; H339-N345 VanDerWaalsContact O-ND2 3.15Å; H339-N345 PolarHBondContact O-OD1 3.08Å; K341-N345 PolarHBondContact O-N 3.33Å; K341-N345 PolarHBondContact O-OD1 3.17Å; E342-N345 WeakPolarHBondContact CA-OD1 3.3Å; E342-N345 PolarHBondContact N-OD1 2.96Å; E342-N345 WeakPolarHBondContact O-CB 3.44Å; E342-N345 PolarHBondContact O-N 3.2Å; E342-N345 VanDerWaalsContact O-N 3.11Å; N345-E347 PolarHBondContact O-N 2.68Å; N345-A348 PolarHBondContact O-N 3.42Å; N345-V349 WeakPolarHBondContact O-CG2 3.48Å; N345-V349 PolarHBondContact O-N 2.88Å |
| 346 | K | 95.4 | Very high | 95.2 | Very high | 72 Ų | 72 | 37.2 Ų | 37.2 | 31% | 0.313 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -55.2 | -52.3 | 175.7 | -172.6 | -172.2 | 169.8 | -172.6 | 0 | 112.5 | E342 I344 A348 V349 W350 T386 E389 | E342-K346 PolarHBondContact O-N 3.43Å; I344-K346 VanDerWaalsContact C-N 3.29Å; I344-K346 PolarHBondContact O-N 3.21Å; K346-A348 VanDerWaalsContact C-N 3.28Å; K346-A348 PolarHBondContact O-N 2.65Å; K346-V349 PolarHBondContact O-N 3.41Å; K346-W350 WeakPolarHBondContact O-CB 3.29Å; K346-W350 PolarHBondContact O-N 2.86Å; K346-T386 WeakPolarHBondContact CA-OG1 3.4Å; K346-T386 WeakPolarHBondContact CB-OG1 3.4Å; K346-T386 PolarHBondContact N-OG1 2.89Å; K346-E389 HydrophobicContact CG-CG 4.05Å |
| 347 | E | 92.8 | Very high | 94.7 | Very high | 29 Ų | 29 | 39.5 Ų | 39.5 | 14% | 0.136 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.5 | -32.2 | -178.3 | -63.6 | -84.3 | 156.9 | 0 | 0 | 111.5 | L307 R308 K343 I344 N345 W350 F351 | L307-E347 HydrophobicContact CD2-CB 3.6Å; L307-E347 HydrophobicContact CG-CB 4.06Å; R308-E347 IonicContact CZ-OE1 3.41Å; R308-E347 IonicContact CZ-OE2 2.66Å; R308-E347 IonicContact NE-OE2 2.7Å; R308-E347 PolarHBondContact NE-OE2 3.23Å; R308-E347 VanDerWaalsContact NH2-CD 3.29Å; R308-E347 IonicContact NH2-OE1 3.53Å; R308-E347 PolarHBondContact NH2-OE1 3.1Å; R308-E347 IonicContact NH2-OE2 2.64Å; R308-E347 PolarHBondContact NH2-OE2 2.92Å; K343-E347 WeakPolarHBondContact O-CG 3.48Å; K343-E347 PolarHBondContact O-N 3.25Å; I344-E347 PolarHBondContact O-N 2.91Å; N345-E347 PolarHBondContact O-N 2.68Å; E347-W350 PolarHBondContact O-N 2.91Å; E347-F351 PolarHBondContact O-N 3.32Å |
| 348 | A | 98.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.6 | -42.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L307 F333 L336 L337 I344 N345 K346 W350 F351 L352 | L307-A348 HydrophobicContact CD2-CB 4.38Å; F333-A348 HydrophobicContact CD1-CB 4.06Å; F333-A348 HydrophobicContact CE1-CB 3.91Å; F333-A348 WeakPolarHBondContact CE1-O 3.42Å; L336-A348 HydrophobicContact CB-CB 3.83Å; L337-A348 HydrophobicContact CD2-CB 3.97Å; L337-A348 HydrophobicContact CG-CB 4.47Å; I344-A348 WeakPolarHBondContact O-CB 3.47Å; I344-A348 PolarHBondContact O-N 2.96Å; N345-A348 PolarHBondContact O-N 3.42Å; K346-A348 VanDerWaalsContact C-N 3.28Å; K346-A348 PolarHBondContact O-N 2.65Å; A348-W350 VanDerWaalsContact C-N 3.33Å; A348-F351 WeakPolarHBondContact O-CB 3.42Å; A348-F351 PolarHBondContact O-N 3.15Å; A348-L352 WeakPolarHBondContact O-CG 3.37Å; A348-L352 PolarHBondContact O-N 3.17Å |
| 349 | V | 97.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.8 | -37.4 | 174.7 | 178.5 | 0 | 0 | 0 | 0 | 111.1 | L337 N345 K346 L352 S353 Q378 T386 E389 A390 | L337-V349 HydrophobicContact CD2-CG2 3.52Å; N345-V349 WeakPolarHBondContact O-CG2 3.48Å; N345-V349 PolarHBondContact O-N 2.88Å; K346-V349 PolarHBondContact O-N 3.41Å; V349-L352 PolarHBondContact O-N 3.02Å; V349-S353 PolarHBondContact O-N 3.07Å; V349-Q378 HydrophobicContact CG2-CB 4.05Å; V349-Q378 HydrophobicContact CG2-CG 4.06Å; V349-T386 HydrophobicContact CB-CG2 4.44Å; V349-T386 HydrophobicContact CG2-CG2 3.93Å; V349-E389 HydrophobicContact CB-CB 4.23Å; V349-E389 VanDerWaalsContact CG1-C 3.43Å; V349-E389 HydrophobicContact CG1-CB 3.79Å; V349-A390 HydrophobicContact CG1-CB 3.83Å |
| 350 | W | 95.8 | Very high | 93.6 | Very high | 41 Ų | 41 | 40.4 Ų | 40.4 | 16% | 0.155 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.3 | -42.4 | 172.4 | 170.7 | 74.7 | 0 | 0 | 0 | 112.5 | G311 N312 T315 K346 E347 A348 L352 S353 N354 E389 | G311-W350 WeakPolarHBondContact O-CH2 3.37Å; N312-W350 WeakPolarHBondContact OD1-CH2 3.43Å; T315-W350 HydrophobicContact CG2-CH2 4.2Å; T315-W350 HydrophobicContact CG2-CZ2 3.79Å; K346-W350 WeakPolarHBondContact O-CB 3.29Å; K346-W350 PolarHBondContact O-N 2.86Å; E347-W350 PolarHBondContact O-N 2.91Å; A348-W350 VanDerWaalsContact C-N 3.33Å; W350-L352 VanDerWaalsContact C-N 3.34Å; W350-L352 PolarHBondContact O-N 3.49Å; W350-S353 PolarHBondContact O-N 3.02Å; W350-S353 PolarHBondContact O-OG 2.91Å; W350-N354 WeakPolarHBondContact CZ2-ND2 3.46Å; W350-N354 PolarHBondContact O-N 2.99Å; W350-N354 PolarHBondContact O-ND2 3.31Å; W350-E389 HydrophobicContact CB-CG 4.19Å |
| 351 | F | 97.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.4 | -49 | 172 | 173.6 | -76.2 | 0 | 0 | 0 | 110.9 | L307 V310 V314 V324 V329 L330 F333 E347 A348 S353 N354 I355 | L307-F351 HydrophobicContact CD1-CB 4.42Å; V310-F351 HydrophobicContact CB-CE2 4.07Å; V310-F351 HydrophobicContact CG2-CD2 3.93Å; V310-F351 HydrophobicContact CG2-CE2 3.72Å; V314-F351 HydrophobicContact CB-CE2 4.38Å; V314-F351 HydrophobicContact CG1-CE2 3.68Å; V314-F351 HydrophobicContact CG1-CZ 3.82Å; V314-F351 HydrophobicContact CG2-CD2 3.73Å; V314-F351 HydrophobicContact CG2-CE2 3.74Å; V314-F351 HydrophobicContact CG2-CG 4.22Å; V314-F351 HydrophobicContact CG2-CZ 4.29Å; V324-F351 HydrophobicContact CG1-CE2 4.37Å; V324-F351 HydrophobicContact CG1-CZ 4.27Å; V329-F351 HydrophobicContact CB-CZ 4.49Å; V329-F351 HydrophobicContact CG1-CE1 4.33Å; V329-F351 HydrophobicContact CG1-CZ 3.85Å; V329-F351 HydrophobicContact CG2-CE2 4.25Å; V329-F351 HydrophobicContact CG2-CZ 3.8Å; L330-F351 HydrophobicContact CD2-CE1 4.23Å; F333-F351 HydrophobicContact CD1-CD1 4.36Å; F333-F351 HydrophobicContact CE1-CB 3.8Å; F333-F351 AromaticContact CE1-CD1 3.35Å; F333-F351 HydrophobicContact CE1-CD1 3.35Å; F333-F351 HydrophobicContact CE1-CE1 4.09Å; F333-F351 AromaticContact CE1-CG 3.69Å; F333-F351 HydrophobicContact CE1-CG 3.69Å; F333-F351 AromaticContact CE2-CD1 3.88Å; F333-F351 HydrophobicContact CE2-CD1 3.88Å; F333-F351 AromaticContact CE2-CE1 3.8Å; F333-F351 HydrophobicContact CE2-CE1 3.8Å; F333-F351 HydrophobicContact CE2-CG 4.35Å; F333-F351 HydrophobicContact CE2-CZ 4.22Å; F333-F351 HydrophobicContact CZ-CB 3.84Å; F333-F351 AromaticContact CZ-CD1 3.07Å; F333-F351 HydrophobicContact CZ-CD1 3.07Å; F333-F351 AromaticContact CZ-CD2 3.83Å; F333-F351 HydrophobicContact CZ-CD2 3.83Å; F333-F351 AromaticContact CZ-CE1 3.48Å; F333-F351 HydrophobicContact CZ-CE1 3.48Å; F333-F351 VanDerWaalsContact CZ-CE1 3.48Å; F333-F351 HydrophobicContact CZ-CE2 4.2Å; F333-F351 AromaticContact CZ-CG 3.3Å; F333-F351 HydrophobicContact CZ-CG 3.3Å; F333-F351 HydrophobicContact CZ-CZ 4.05Å; E347-F351 PolarHBondContact O-N 3.32Å; A348-F351 WeakPolarHBondContact O-CB 3.42Å; A348-F351 PolarHBondContact O-N 3.15Å; F351-S353 VanDerWaalsContact C-N 3.29Å; F351-S353 PolarHBondContact O-N 2.94Å; F351-N354 WeakPolarHBondContact O-CB 3.38Å; F351-N354 PolarHBondContact O-N 3.43Å; F351-N354 VanDerWaalsContact O-N 3.15Å; F351-I355 HydrophobicContact CD1-CD1 4.5Å; F351-I355 HydrophobicContact CD1-CG1 3.92Å; F351-I355 HydrophobicContact CE1-CD1 3.8Å; F351-I355 HydrophobicContact CE1-CG1 3.53Å; F351-I355 HydrophobicContact CZ-CD1 3.96Å; F351-I355 HydrophobicContact CZ-CG1 4.21Å; F351-I355 PolarHBondContact O-N 2.83Å |
| 352 | L | 98.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.8 | -32.2 | -177.9 | -66.9 | 172.8 | 0 | 0 | 0 | 112.4 | L330 F333 L337 A348 V349 W350 N354 I355 T356 V366 L371 I375 | L330-L352 HydrophobicContact CD2-CD2 3.94Å; F333-L352 HydrophobicContact CD1-CD1 3.77Å; F333-L352 HydrophobicContact CD1-CD2 3.81Å; F333-L352 HydrophobicContact CD1-CG 3.67Å; F333-L352 HydrophobicContact CE1-CD1 4.43Å; F333-L352 HydrophobicContact CE1-CD2 4.14Å; F333-L352 HydrophobicContact CE1-CG 3.9Å; F333-L352 HydrophobicContact CG-CD2 4.28Å; L337-L352 HydrophobicContact CD1-CD1 3.86Å; L337-L352 HydrophobicContact CD2-CD1 4.16Å; L337-L352 HydrophobicContact CG-CD1 4.41Å; A348-L352 WeakPolarHBondContact O-CG 3.37Å; A348-L352 PolarHBondContact O-N 3.17Å; V349-L352 PolarHBondContact O-N 3.02Å; W350-L352 VanDerWaalsContact C-N 3.34Å; W350-L352 PolarHBondContact O-N 3.49Å; L352-N354 VanDerWaalsContact C-N 3.27Å; L352-N354 PolarHBondContact O-N 3.16Å; L352-I355 PolarHBondContact O-N 2.83Å; L352-T356 WeakPolarHBondContact O-CG2 3.32Å; L352-T356 PolarHBondContact O-N 3.34Å; L352-T356 PolarHBondContact O-OG1 3.23Å; L352-V366 HydrophobicContact CD2-CG1 4.46Å; L352-V366 HydrophobicContact CD2-CG2 4.44Å; L352-L371 HydrophobicContact CD1-CB 4.46Å; L352-L371 HydrophobicContact CD1-CD1 4.31Å; L352-L371 HydrophobicContact CD2-CD1 3.72Å; L352-I375 HydrophobicContact CB-CD1 4.13Å; L352-I375 HydrophobicContact CD1-CD1 3.91Å; L352-I375 HydrophobicContact CD1-CG1 3.87Å |
| 353 | S | 94.9 | Very high | 94.1 | Very high | 4 Ų | 4 | 30.3 Ų | 30.3 | 3% | 0.028 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.5 | -29.8 | 175.8 | 78.1 | 0 | 0 | 0 | 0 | 112.9 | V349 W350 F351 T356 A357 N396 | V349-S353 PolarHBondContact O-N 3.07Å; W350-S353 PolarHBondContact O-N 3.02Å; W350-S353 PolarHBondContact O-OG 2.91Å; F351-S353 VanDerWaalsContact C-N 3.29Å; F351-S353 PolarHBondContact O-N 2.94Å; S353-T356 PolarHBondContact O-OG1 3.46Å; S353-A357 WeakPolarHBondContact O-CB 3.5Å; S353-A357 PolarHBondContact O-N 3.01Å; S353-N396 PolarHBondContact O-ND2 3.3Å |
| 354 | N | 91.7 | Very high | 94.5 | Very high | 34 Ų | 34 | 27.8 Ų | 27.8 | 18% | 0.182 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -73.1 | -36.4 | 171.8 | -65.7 | -37.1 | 0 | 0 | 0 | 111.7 | V314 W350 F351 L352 A357 | V314-N354 HydrophobicContact CG2-CB 3.87Å; W350-N354 WeakPolarHBondContact CZ2-ND2 3.46Å; W350-N354 PolarHBondContact O-N 2.99Å; W350-N354 PolarHBondContact O-ND2 3.31Å; F351-N354 WeakPolarHBondContact O-CB 3.38Å; F351-N354 PolarHBondContact O-N 3.43Å; F351-N354 VanDerWaalsContact O-N 3.15Å; L352-N354 VanDerWaalsContact C-N 3.27Å; L352-N354 PolarHBondContact O-N 3.16Å; N354-A357 PolarHBondContact O-N 3.24Å |
| 355 | I | 92.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.8 | -45.5 | 173.6 | -55.1 | -60.1 | 0 | 0 | 0 | 111.1 | V314 T321 L325 F351 L352 A357 G358 Q362 V366 | V314-I355 HydrophobicContact CB-CD1 3.79Å; V314-I355 HydrophobicContact CG1-CD1 3.65Å; V314-I355 HydrophobicContact CG2-CD1 4.21Å; T321-I355 HydrophobicContact CG2-CD1 3.42Å; T321-I355 VanDerWaalsContact CG2-CD1 3.42Å; L325-I355 HydrophobicContact CD2-CD1 4.28Å; L325-I355 HydrophobicContact CD2-CG2 4.39Å; F351-I355 HydrophobicContact CD1-CD1 4.5Å; F351-I355 HydrophobicContact CD1-CG1 3.92Å; F351-I355 HydrophobicContact CE1-CD1 3.8Å; F351-I355 HydrophobicContact CE1-CG1 3.53Å; F351-I355 HydrophobicContact CZ-CD1 3.96Å; F351-I355 HydrophobicContact CZ-CG1 4.21Å; F351-I355 PolarHBondContact O-N 2.83Å; L352-I355 PolarHBondContact O-N 2.83Å; I355-A357 PolarHBondContact O-N 3.33Å; I355-G358 PolarHBondContact O-N 3.25Å; I355-Q362 HydrophobicContact CG2-CB 4.13Å; I355-V366 HydrophobicContact CB-CG2 4.07Å; I355-V366 HydrophobicContact CG2-CG2 3.47Å; I355-V366 VanDerWaalsContact CG2-CG2 3.47Å |
| 356 | T | 93.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -72.8 | -12.9 | -179.1 | 61 | 0 | 0 | 0 | 0 | 113.6 | L352 S353 G358 V366 A393 N396 L397 S400 | L352-T356 WeakPolarHBondContact O-CG2 3.32Å; L352-T356 PolarHBondContact O-N 3.34Å; L352-T356 PolarHBondContact O-OG1 3.23Å; S353-T356 PolarHBondContact O-OG1 3.46Å; T356-G358 VanDerWaalsContact C-N 3.27Å; T356-V366 HydrophobicContact CG2-CG1 4.44Å; T356-V366 HydrophobicContact CG2-CG2 4.29Å; T356-A393 PolarHBondContact OG1-O 3.17Å; T356-N396 CarbonylContact O-C 3.39Å; T356-L397 HydrophobicContact CG2-CB 4.38Å; T356-L397 HydrophobicContact CG2-CD1 4.42Å; T356-S400 PolarHBondContact O-OG 2.94Å |
| 357 | A | 86.9 | Confident | 94.9 | Very high | 50 Ų | 50 | 26 Ų | 26 | 41% | 0.413 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -9.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S353 N354 I355 N396 | S353-A357 WeakPolarHBondContact O-CB 3.5Å; S353-A357 PolarHBondContact O-N 3.01Å; N354-A357 PolarHBondContact O-N 3.24Å; I355-A357 PolarHBondContact O-N 3.33Å; A357-N396 HydrophobicContact CB-CB 4.19Å |
| 358 | G | 86.2 | Confident | 95.1 | Very high | 8 Ų | 8 | 31.5 Ų | 31.5 | 8% | 0.082 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -78.1 | -161.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | I355 T356 Q362 S400 | I355-G358 PolarHBondContact O-N 3.25Å; T356-G358 VanDerWaalsContact C-N 3.27Å; G358-Q362 VanDerWaalsContact CA-OE1 3.24Å; G358-S400 VanDerWaalsContact O-CB 3.23Å; G358-S400 WeakPolarHBondContact O-CB 3.43Å |
| 359 | N | 89.6 | Confident | 95.1 | Very high | 51 Ų | 51 | 33.4 Ų | 33.4 | 27% | 0.273 | 18% | 0.18 | S | C | . | . | trans | -76.8 | 172 | 179.9 | 64.6 | 64.2 | 0 | 0 | 0 | 113.5 | D318 Q361 Q362 V363 | D318-N359 WeakPolarHBondContact OD2-CB 3.18Å; D318-N359 PolarHBondContact OD2-ND2 3.39Å; N359-Q361 PolarHBondContact O-N 2.79Å; N359-Q361 VanDerWaalsContact O-N 3.16Å; N359-Q361 WeakPolarHBondContact OD1-CB 3.4Å; N359-Q361 PolarHBondContact OD1-N 3.01Å; N359-Q362 WeakPolarHBondContact O-CB 3.43Å; N359-Q362 PolarHBondContact O-N 3.31Å; N359-Q362 PolarHBondContact OD1-N 3.34Å; N359-V363 PolarHBondContact O-N 3.35Å | ||
| 360 | Q | 94.8 | Very high | 95.2 | Very high | 86 Ų | 86 | 35.4 Ų | 35.4 | 40% | 0.402 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -59 | -28.8 | -177.3 | -64.8 | 170.4 | 0.5 | 0 | 0 | 114.3 | Q364 S400 R402 Q405 | Q360-Q364 WeakPolarHBondContact O-CB 3.19Å; Q360-Q364 PolarHBondContact O-N 2.67Å; Q360-S400 WeakPolarHBondContact CG-O 3.37Å; Q360-R402 HydrophobicContact CB-CG 4.31Å; Q360-R402 HydrophobicContact CG-CG 3.81Å; Q360-R402 VanDerWaalsContact OE1-CD 3.24Å; Q360-Q405 PolarHBondContact O-NE2 3.11Å |
| 361 | Q | 97 | Very high | 95.3 | Very high | 146 Ų | 146 | 33.5 Ų | 33.5 | 68% | 0.682 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -73 | -34 | 176.1 | -61.6 | 178.6 | -8.9 | 0 | 0 | 111 | N359 Q364 A365 | N359-Q361 PolarHBondContact O-N 2.79Å; N359-Q361 VanDerWaalsContact O-N 3.16Å; N359-Q361 WeakPolarHBondContact OD1-CB 3.4Å; N359-Q361 PolarHBondContact OD1-N 3.01Å; Q361-Q364 WeakPolarHBondContact O-CB 3.4Å; Q361-Q364 PolarHBondContact O-N 3.22Å; Q361-A365 PolarHBondContact O-N 3.22Å |
| 362 | Q | 95.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -72.5 | -39.7 | 177.3 | -62.5 | 177.7 | -21.9 | 0 | 0 | 111.2 | D318 L325 I355 G358 N359 Q364 A365 V366 | D318-Q362 PolarHBondContact O-NE2 2.91Å; L325-Q362 HydrophobicContact CD1-CB 4.13Å; L325-Q362 HydrophobicContact CD1-CG 3.73Å; I355-Q362 HydrophobicContact CG2-CB 4.13Å; G358-Q362 VanDerWaalsContact CA-OE1 3.24Å; N359-Q362 WeakPolarHBondContact O-CB 3.43Å; N359-Q362 PolarHBondContact O-N 3.31Å; N359-Q362 PolarHBondContact OD1-N 3.34Å; Q362-Q364 VanDerWaalsContact C-N 3.3Å; Q362-Q364 PolarHBondContact O-N 3.25Å; Q362-A365 PolarHBondContact O-N 2.77Å; Q362-V366 PolarHBondContact O-N 3.1Å |
| 363 | V | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.2 | -46.1 | 167.4 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | N359 A365 V366 I367 L397 Q405 | N359-V363 PolarHBondContact O-N 3.35Å; V363-A365 VanDerWaalsContact C-N 3.3Å; V363-A365 PolarHBondContact O-N 3.08Å; V363-V366 PolarHBondContact O-N 2.92Å; V363-V366 VanDerWaalsContact O-N 3.17Å; V363-I367 HydrophobicContact CG1-CD1 4.09Å; V363-I367 PolarHBondContact O-N 3.5Å; V363-L397 HydrophobicContact CG1-CD1 4.09Å; V363-L397 HydrophobicContact CG1-CD2 4.36Å; V363-L397 HydrophobicContact CG1-CG 3.72Å; V363-Q405 HydrophobicContact CG1-CB 4.31Å; V363-Q405 HydrophobicContact CG1-CG 4.47Å |
| 364 | Q | 98.3 | Very high | 95.6 | Very high | 47 Ų | 47 | 37.9 Ų | 37.9 | 22% | 0.22 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.4 | -41.2 | 178.6 | -170.1 | 60.9 | 32.1 | 0 | 0 | 112 | Q360 Q361 Q362 V366 I367 E368 | Q360-Q364 WeakPolarHBondContact O-CB 3.19Å; Q360-Q364 PolarHBondContact O-N 2.67Å; Q361-Q364 WeakPolarHBondContact O-CB 3.4Å; Q361-Q364 PolarHBondContact O-N 3.22Å; Q362-Q364 VanDerWaalsContact C-N 3.3Å; Q362-Q364 PolarHBondContact O-N 3.25Å; Q364-V366 VanDerWaalsContact C-N 3.29Å; Q364-V366 PolarHBondContact O-N 3.3Å; Q364-I367 WeakPolarHBondContact O-CB 3.17Å; Q364-I367 PolarHBondContact O-N 2.67Å; Q364-I367 VanDerWaalsContact O-N 3.13Å; Q364-E368 HydrophobicContact CG-CG 4.25Å; Q364-E368 VanDerWaalsContact CG-OE1 3.22Å; Q364-E368 WeakPolarHBondContact CG-OE1 3.44Å; Q364-E368 PolarHBondContact NE2-OE1 3.07Å; Q364-E368 WeakPolarHBondContact O-CG 3.12Å; Q364-E368 PolarHBondContact O-N 3.4Å |
| 365 | A | 98.6 | Very high | 95.9 | Very high | 27 Ų | 27 | 36.3 Ų | 36.3 | 22% | 0.223 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.1 | -37.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | L330 Q361 Q362 V363 A369 | L330-A365 HydrophobicContact CD1-CB 3.88Å; L330-A365 WeakPolarHBondContact CD1-O 3.36Å; Q361-A365 PolarHBondContact O-N 3.22Å; Q362-A365 PolarHBondContact O-N 2.77Å; V363-A365 VanDerWaalsContact C-N 3.3Å; V363-A365 PolarHBondContact O-N 3.08Å; A365-A369 VanDerWaalsContact O-CB 3.25Å; A365-A369 WeakPolarHBondContact O-CB 3.17Å; A365-A369 PolarHBondContact O-N 3.23Å |
| 366 | V | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.8 | -38.2 | 176 | -179.9 | 0 | 0 | 0 | 0 | 111.6 | L352 I355 T356 Q362 V363 Q364 L371 I372 I375 | L352-V366 HydrophobicContact CD2-CG1 4.46Å; L352-V366 HydrophobicContact CD2-CG2 4.44Å; I355-V366 HydrophobicContact CB-CG2 4.07Å; I355-V366 HydrophobicContact CG2-CG2 3.47Å; I355-V366 VanDerWaalsContact CG2-CG2 3.47Å; T356-V366 HydrophobicContact CG2-CG1 4.44Å; T356-V366 HydrophobicContact CG2-CG2 4.29Å; Q362-V366 PolarHBondContact O-N 3.1Å; V363-V366 PolarHBondContact O-N 2.92Å; V363-V366 VanDerWaalsContact O-N 3.17Å; Q364-V366 VanDerWaalsContact C-N 3.29Å; Q364-V366 PolarHBondContact O-N 3.3Å; V366-L371 HydrophobicContact CG1-CB 3.91Å; V366-L371 HydrophobicContact CG1-CD1 4.47Å; V366-L371 PolarHBondContact O-N 3.33Å; V366-I372 HydrophobicContact CG1-CD1 3.8Å; V366-I375 HydrophobicContact CG1-CD1 4.19Å |
| 367 | I | 98.4 | Very high | 96.4 | Very high | 22 Ų | 22 | 42.3 Ų | 42.3 | 11% | 0.113 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.5 | -50.6 | 175.4 | -68.3 | 167 | 0 | 0 | 0 | 110.4 | V363 Q364 A369 G370 I372 Q405 F408 | V363-I367 HydrophobicContact CG1-CD1 4.09Å; V363-I367 PolarHBondContact O-N 3.5Å; Q364-I367 WeakPolarHBondContact O-CB 3.17Å; Q364-I367 PolarHBondContact O-N 2.67Å; Q364-I367 VanDerWaalsContact O-N 3.13Å; I367-A369 VanDerWaalsContact C-N 3.26Å; I367-A369 PolarHBondContact O-N 3.19Å; I367-G370 WeakPolarHBondContact O-CA 3.08Å; I367-G370 PolarHBondContact O-N 2.97Å; I367-I372 HydrophobicContact CG1-CD1 4.28Å; I367-I372 HydrophobicContact CG1-CG1 3.77Å; I367-Q405 HydrophobicContact CD1-CB 3.73Å; I367-Q405 HydrophobicContact CD1-CG 3.77Å; I367-F408 HydrophobicContact CD1-CD1 4.42Å; I367-F408 HydrophobicContact CG1-CD1 4.21Å; I367-F408 HydrophobicContact CG1-CE1 4.42Å; I367-F408 HydrophobicContact CG2-CD1 3.84Å; I367-F408 HydrophobicContact CG2-CE1 3.72Å; I367-F408 HydrophobicContact CG2-CG 4.41Å; I367-F408 HydrophobicContact CG2-CZ 4.19Å |
| 368 | E | 98.3 | Very high | 96.9 | Very high | 145 Ų | 145 | 40.9 Ų | 40.9 | 68% | 0.678 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -65.4 | -29.9 | -178.8 | -72.1 | 174.2 | -176.7 | 0 | 0 | 112.7 | Q364 G370 | Q364-E368 HydrophobicContact CG-CG 4.25Å; Q364-E368 VanDerWaalsContact CG-OE1 3.22Å; Q364-E368 WeakPolarHBondContact CG-OE1 3.44Å; Q364-E368 PolarHBondContact NE2-OE1 3.07Å; Q364-E368 WeakPolarHBondContact O-CG 3.12Å; Q364-E368 PolarHBondContact O-N 3.4Å; E368-G370 PolarHBondContact O-N 2.98Å |
| 369 | A | 98.3 | Very high | 97.5 | Very high | 41 Ų | 41 | 40.5 Ų | 40.5 | 34% | 0.339 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -3.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L330 A365 I367 L371 | L330-A369 HydrophobicContact CB-CB 3.87Å; L330-A369 HydrophobicContact CD1-CB 3.99Å; A365-A369 VanDerWaalsContact O-CB 3.25Å; A365-A369 WeakPolarHBondContact O-CB 3.17Å; A365-A369 PolarHBondContact O-N 3.23Å; I367-A369 VanDerWaalsContact C-N 3.26Å; I367-A369 PolarHBondContact O-N 3.19Å; A369-L371 VanDerWaalsContact C-N 3.29Å; A369-L371 HydrophobicContact CB-CD1 3.89Å; A369-L371 HydrophobicContact CB-CG 3.82Å; A369-L371 PolarHBondContact O-N 3.27Å |
| 370 | G | 98.2 | Very high | 97.8 | Very high | 42 Ų | 42 | 39.9 Ų | 39.9 | 43% | 0.433 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 24.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | I367 E368 | I367-G370 WeakPolarHBondContact O-CA 3.08Å; I367-G370 PolarHBondContact O-N 2.97Å; E368-G370 PolarHBondContact O-N 2.98Å |
| 371 | L | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -89.1 | -19.3 | -172 | -61.3 | 177 | 0 | 0 | 0 | 113.5 | L330 F333 P334 L337 L352 V366 A369 M374 I375 | L330-L371 HydrophobicContact CB-CD1 4.17Å; L330-L371 HydrophobicContact CD2-CD1 4Å; F333-L371 HydrophobicContact CB-CD1 3.83Å; F333-L371 HydrophobicContact CB-CD2 3.8Å; F333-L371 HydrophobicContact CG-CD1 4.44Å; P334-L371 HydrophobicContact CG-CD2 4.05Å; L337-L371 HydrophobicContact CD1-CD2 4.14Å; L352-L371 HydrophobicContact CD1-CB 4.46Å; L352-L371 HydrophobicContact CD1-CD1 4.31Å; L352-L371 HydrophobicContact CD2-CD1 3.72Å; V366-L371 HydrophobicContact CG1-CB 3.91Å; V366-L371 HydrophobicContact CG1-CD1 4.47Å; V366-L371 PolarHBondContact O-N 3.33Å; A369-L371 VanDerWaalsContact C-N 3.29Å; A369-L371 HydrophobicContact CB-CD1 3.89Å; A369-L371 HydrophobicContact CB-CG 3.82Å; A369-L371 PolarHBondContact O-N 3.27Å; L371-M374 HydrophobicContact CD2-SD 4.2Å; L371-M374 WeakPolarHBondContact O-CB 3.49Å; L371-M374 PolarHBondContact O-N 3.13Å; L371-M374 VanDerWaalsContact O-N 3.1Å; L371-I375 WeakPolarHBondContact O-CG1 3.38Å; L371-I375 PolarHBondContact O-N 3.14Å | ||
| 372 | I | 98.5 | Very high | 97.8 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56.5 | -49.4 | -179.6 | -59.8 | -56.8 | 0 | 0 | 0 | 112.8 | V366 I367 M374 I375 I376 L397 F408 L409 Q412 | V366-I372 HydrophobicContact CG1-CD1 3.8Å; I367-I372 HydrophobicContact CG1-CD1 4.28Å; I367-I372 HydrophobicContact CG1-CG1 3.77Å; I372-M374 PolarHBondContact O-N 3.24Å; I372-I375 HydrophobicContact CD1-CD1 4.26Å; I372-I375 PolarHBondContact O-N 3.31Å; I372-I375 VanDerWaalsContact O-N 3.12Å; I372-I376 HydrophobicContact CG2-CD1 3.85Å; I372-I376 HydrophobicContact CG2-CG1 4.4Å; I372-I376 WeakPolarHBondContact O-CG1 3.49Å; I372-I376 PolarHBondContact O-N 3.1Å; I372-L397 HydrophobicContact CD1-CD1 3.45Å; I372-L397 VanDerWaalsContact CD1-CD1 3.45Å; I372-L397 HydrophobicContact CG1-CD1 4.45Å; I372-F408 HydrophobicContact CB-CE1 4.16Å; I372-F408 HydrophobicContact CG1-CE1 4.25Å; I372-F408 HydrophobicContact CG2-CE1 4.39Å; I372-L409 HydrophobicContact CG2-CD1 3.62Å; I372-Q412 HydrophobicContact CG2-CB 4.39Å; I372-Q412 HydrophobicContact CG2-CG 4.27Å |
| 373 | P | 98.5 | Very high | 97.8 | Very high | 53 Ų | 53 | 39.8 Ų | 39.8 | 34% | 0.344 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.4 | -31.5 | 178.3 | -23.3 | 35.4 | 0 | 0 | 0 | 112.8 | I376 H377 Q412 | P373-I376 PolarHBondContact O-N 3.1Å; P373-H377 WeakPolarHBondContact O-CB 3.43Å; P373-H377 PolarHBondContact O-N 2.75Å; P373-Q412 HydrophobicContact CG-CG 4.36Å |
| 374 | M | 98.6 | Very high | 97.7 | Very high | 43 Ų | 43 | 44.3 Ų | 44.3 | 21% | 0.212 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -73.5 | -38.3 | 177.9 | -55.8 | -171.7 | 77.1 | 0 | 0 | 112.1 | P334 L337 T338 L371 I372 I376 H377 Q378 | P334-M374 HydrophobicContact CB-CE 4.23Å; P334-M374 HydrophobicContact CB-SD 4.06Å; P334-M374 HydrophobicContact CG-SD 4.43Å; P334-M374 WeakPolarHBondContact O-CE 3.49Å; L337-M374 HydrophobicContact CB-CB 4.44Å; L337-M374 HydrophobicContact CB-CE 3.81Å; L337-M374 HydrophobicContact CD1-CB 3.58Å; L337-M374 HydrophobicContact CD1-CE 4.39Å; L337-M374 HydrophobicContact CD1-CG 4.45Å; L337-M374 HydrophobicContact CD1-SD 4.09Å; T338-M374 HydrophobicContact CG2-CE 3.54Å; L371-M374 HydrophobicContact CD2-SD 4.2Å; L371-M374 WeakPolarHBondContact O-CB 3.49Å; L371-M374 PolarHBondContact O-N 3.13Å; L371-M374 VanDerWaalsContact O-N 3.1Å; I372-M374 PolarHBondContact O-N 3.24Å; M374-I376 VanDerWaalsContact C-N 3.33Å; M374-H377 WeakPolarHBondContact O-CB 3.29Å; M374-H377 PolarHBondContact O-N 3.12Å; M374-Q378 WeakPolarHBondContact O-CG 3.3Å; M374-Q378 PolarHBondContact O-N 3.34Å |
| 375 | I | 98.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.9 | -44.3 | 171.4 | -63.2 | 168.8 | 0 | 0 | 0 | 109.7 | L352 V366 L371 I372 H377 Q378 L379 A390 A393 I394 | L352-I375 HydrophobicContact CB-CD1 4.13Å; L352-I375 HydrophobicContact CD1-CD1 3.91Å; L352-I375 HydrophobicContact CD1-CG1 3.87Å; V366-I375 HydrophobicContact CG1-CD1 4.19Å; L371-I375 WeakPolarHBondContact O-CG1 3.38Å; L371-I375 PolarHBondContact O-N 3.14Å; I372-I375 HydrophobicContact CD1-CD1 4.26Å; I372-I375 PolarHBondContact O-N 3.31Å; I372-I375 VanDerWaalsContact O-N 3.12Å; I375-H377 VanDerWaalsContact C-N 3.33Å; I375-H377 PolarHBondContact O-N 3.02Å; I375-Q378 CarbonylContact O-C 3.15Å; I375-Q378 PolarHBondContact O-N 2.95Å; I375-Q378 VanDerWaalsContact O-N 3.16Å; I375-L379 PolarHBondContact O-N 3.19Å; I375-A390 HydrophobicContact CG2-CB 4.17Å; I375-A393 HydrophobicContact CG2-CB 4.03Å; I375-I394 HydrophobicContact CG2-CD1 3.76Å; I375-I394 HydrophobicContact CG2-CG1 4.24Å |
| 376 | I | 98.5 | Very high | 97.2 | Very high | 14 Ų | 14 | 41.8 Ų | 41.8 | 7% | 0.072 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.6 | -39 | 177.3 | -64.3 | 170.9 | 0 | 0 | 0 | 111 | I372 P373 M374 Q378 L379 A380 I394 L409 Q412 V414 P417 | I372-I376 HydrophobicContact CG2-CD1 3.85Å; I372-I376 HydrophobicContact CG2-CG1 4.4Å; I372-I376 WeakPolarHBondContact O-CG1 3.49Å; I372-I376 PolarHBondContact O-N 3.1Å; P373-I376 PolarHBondContact O-N 3.1Å; M374-I376 VanDerWaalsContact C-N 3.33Å; I376-Q378 VanDerWaalsContact C-N 3.34Å; I376-Q378 PolarHBondContact O-N 3.48Å; I376-L379 WeakPolarHBondContact O-CB 3.35Å; I376-L379 PolarHBondContact O-N 2.82Å; I376-A380 WeakPolarHBondContact O-CB 2.99Å; I376-A380 PolarHBondContact O-N 3.3Å; I376-I394 HydrophobicContact CG1-CD1 4.35Å; I376-L409 HydrophobicContact CD1-CD1 4.05Å; I376-Q412 HydrophobicContact CD1-CB 3.53Å; I376-Q412 WeakPolarHBondContact CD1-O 3.17Å; I376-V414 HydrophobicContact CD1-CB 3.9Å; I376-V414 HydrophobicContact CD1-CG2 4.26Å; I376-V414 HydrophobicContact CG1-CB 4.26Å; I376-V414 HydrophobicContact CG1-CG2 4.08Å; I376-P417 HydrophobicContact CG2-CG 3.79Å |
| 377 | H | 98.2 | Very high | 97.2 | Very high | 112 Ų | 112 | 43.6 Ų | 43.6 | 52% | 0.519 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.8 | -44.9 | 172.9 | -178.1 | 80 | 0 | 0 | 0 | 111.8 | P373 M374 I375 A380 K381 | P373-H377 WeakPolarHBondContact O-CB 3.43Å; P373-H377 PolarHBondContact O-N 2.75Å; M374-H377 WeakPolarHBondContact O-CB 3.29Å; M374-H377 PolarHBondContact O-N 3.12Å; I375-H377 VanDerWaalsContact C-N 3.33Å; I375-H377 PolarHBondContact O-N 3.02Å; H377-A380 PolarHBondContact O-N 3Å; H377-K381 PolarHBondContact O-N 3.41Å |
| 378 | Q | 98.1 | Very high | 97 | Very high | 19 Ų | 19 | 44.3 Ų | 44.3 | 9% | 0.089 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.9 | -35.8 | 176.1 | -71 | -59.4 | -21.7 | 0 | 0 | 112.7 | L337 V349 M374 I375 I376 A380 G382 T386 | L337-Q378 HydrophobicContact CD2-CG 4.48Å; L337-Q378 PolarHBondContact O-NE2 3.17Å; V349-Q378 HydrophobicContact CG2-CB 4.05Å; V349-Q378 HydrophobicContact CG2-CG 4.06Å; M374-Q378 WeakPolarHBondContact O-CG 3.3Å; M374-Q378 PolarHBondContact O-N 3.34Å; I375-Q378 CarbonylContact O-C 3.15Å; I375-Q378 PolarHBondContact O-N 2.95Å; I375-Q378 VanDerWaalsContact O-N 3.16Å; I376-Q378 VanDerWaalsContact C-N 3.34Å; I376-Q378 PolarHBondContact O-N 3.48Å; Q378-A380 VanDerWaalsContact C-N 3.29Å; Q378-A380 PolarHBondContact O-N 3.07Å; Q378-G382 VanDerWaalsContact O-CA 3.31Å; Q378-G382 WeakPolarHBondContact O-CA 3.37Å; Q378-G382 PolarHBondContact O-N 3.04Å; Q378-T386 HydrophobicContact CB-CG2 3.94Å; Q378-T386 HydrophobicContact CG-CG2 4.29Å |
| 379 | L | 98 | Very high | 96.8 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.3 | -41.4 | 171.1 | -173.4 | 71.1 | 0 | 0 | 0 | 111.5 | I375 I376 Q387 A390 A391 I394 V414 P417 F418 L421 | I375-L379 PolarHBondContact O-N 3.19Å; I376-L379 WeakPolarHBondContact O-CB 3.35Å; I376-L379 PolarHBondContact O-N 2.82Å; L379-Q387 WeakPolarHBondContact O-CG 3.39Å; L379-Q387 PolarHBondContact O-NE2 3.4Å; L379-A390 HydrophobicContact CB-CB 3.82Å; L379-A390 HydrophobicContact CD1-CB 3.84Å; L379-A390 HydrophobicContact CG-CB 4.47Å; L379-A391 HydrophobicContact CD1-CB 4Å; L379-I394 HydrophobicContact CD2-CG1 4.31Å; L379-V414 HydrophobicContact CD2-CG2 4.25Å; L379-P417 HydrophobicContact CD2-CB 4.07Å; L379-P417 HydrophobicContact CD2-CG 4.24Å; L379-P417 HydrophobicContact CG-CB 4.25Å; L379-F418 HydrophobicContact CD1-CD2 4.45Å; L379-F418 HydrophobicContact CD2-CB 4.11Å; L379-F418 HydrophobicContact CD2-CD2 4.11Å; L379-F418 HydrophobicContact CD2-CG 4.48Å; L379-L421 HydrophobicContact CD1-CD1 3.51Å; L379-L421 HydrophobicContact CG-CD1 4.47Å |
| 380 | A | 97.1 | Very high | 96.8 | Very high | 38 Ų | 38 | 35.8 Ų | 35.8 | 31% | 0.314 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -79.9 | -35.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | I376 H377 Q378 P417 | I376-A380 WeakPolarHBondContact O-CB 2.99Å; I376-A380 PolarHBondContact O-N 3.3Å; H377-A380 PolarHBondContact O-N 3Å; Q378-A380 VanDerWaalsContact C-N 3.29Å; Q378-A380 PolarHBondContact O-N 3.07Å; A380-P417 HydrophobicContact CB-CB 3.77Å |
| 381 | K | 96.1 | Very high | 96.8 | Very high | 162 Ų | 162 | 33.9 Ų | 33.9 | 70% | 0.704 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -128.4 | -10.8 | -165.8 | -60.9 | -60.9 | 179.3 | -169.9 | 0 | 115.4 | H377 | H377-K381 PolarHBondContact O-N 3.41Å |
| 382 | G | 95 | Very high | 96.5 | Very high | 13 Ų | 13 | 36.1 Ų | 36.1 | 13% | 0.134 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -64.8 | 164.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q378 Q387 | Q378-G382 VanDerWaalsContact O-CA 3.31Å; Q378-G382 WeakPolarHBondContact O-CA 3.37Å; Q378-G382 PolarHBondContact O-N 3.04Å; G382-Q387 VanDerWaalsContact O-CG 3.31Å; G382-Q387 WeakPolarHBondContact O-CG 3.19Å |
| 383 | D | 94.8 | Very high | 96.3 | Very high | 55 Ų | 55 | 36.1 Ų | 36.1 | 29% | 0.294 | 19% | 0.185 | S | C | . | . | trans | -62.1 | 157.9 | 166.7 | 75.2 | -60.6 | 0 | 0 | 0 | 109.8 | G385 T386 Q387 | D383-G385 PolarHBondContact O-N 2.81Å; D383-G385 PolarHBondContact OD2-N 3.45Å; D383-T386 WeakPolarHBondContact O-CA 3.32Å; D383-T386 PolarHBondContact O-N 3.09Å; D383-T386 WeakPolarHBondContact OD1-CB 3.32Å; D383-T386 PolarHBondContact OD1-N 2.87Å; D383-T386 PolarHBondContact OD1-OG1 3.37Å; D383-Q387 WeakPolarHBondContact O-CG 3.49Å; D383-Q387 PolarHBondContact O-N 3.41Å | ||
| 384 | F | 94.3 | Very high | 96.3 | Very high | 95 Ų | 95 | 33.6 Ų | 33.6 | 42% | 0.417 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -54.8 | -32.3 | -175.4 | -177.4 | -111.6 | 0 | 0 | 0 | 113.1 | K388 V424 D426 V429 | F384-K388 WeakPolarHBondContact O-CB 3.48Å; F384-K388 PolarHBondContact O-N 2.94Å; F384-V424 HydrophobicContact CE2-CB 4.02Å; F384-V424 HydrophobicContact CE2-CG1 4Å; F384-V424 HydrophobicContact CE2-CG2 4.22Å; F384-V424 HydrophobicContact CZ-CB 4.48Å; F384-V424 HydrophobicContact CZ-CG2 4.46Å; F384-D426 HydrophobicContact CE1-CB 4.43Å; F384-D426 HydrophobicContact CZ-CB 3.88Å; F384-V429 HydrophobicContact CZ-CG2 4.4Å |
| 385 | G | 92.1 | Very high | 96.1 | Very high | 20 Ų | 20 | 31.7 Ų | 31.7 | 21% | 0.206 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.3 | -42.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | D383 | D383-G385 PolarHBondContact O-N 2.81Å; D383-G385 PolarHBondContact OD2-N 3.45Å |
| 386 | T | 95.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -73.9 | -40.4 | 175.8 | -58.5 | 0 | 0 | 0 | 0 | 112.1 | K346 V349 Q378 D383 K388 E389 A390 | K346-T386 WeakPolarHBondContact CA-OG1 3.4Å; K346-T386 WeakPolarHBondContact CB-OG1 3.4Å; K346-T386 PolarHBondContact N-OG1 2.89Å; V349-T386 HydrophobicContact CB-CG2 4.44Å; V349-T386 HydrophobicContact CG2-CG2 3.93Å; Q378-T386 HydrophobicContact CB-CG2 3.94Å; Q378-T386 HydrophobicContact CG-CG2 4.29Å; D383-T386 WeakPolarHBondContact O-CA 3.32Å; D383-T386 PolarHBondContact O-N 3.09Å; D383-T386 WeakPolarHBondContact OD1-CB 3.32Å; D383-T386 PolarHBondContact OD1-N 2.87Å; D383-T386 PolarHBondContact OD1-OG1 3.37Å; T386-K388 VanDerWaalsContact C-N 3.26Å; T386-K388 PolarHBondContact O-N 3.16Å; T386-E389 PolarHBondContact O-N 2.96Å; T386-E389 VanDerWaalsContact O-N 3.14Å; T386-A390 PolarHBondContact O-N 2.99Å |
| 387 | Q | 97.4 | Very high | 95.7 | Very high | 39 Ų | 39 | 32.4 Ų | 32.4 | 18% | 0.182 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.6 | -39.5 | 176.3 | -65.5 | -176.9 | -53.9 | 0 | 0 | 111.8 | L379 G382 D383 A390 A391 L421 | L379-Q387 WeakPolarHBondContact O-CG 3.39Å; L379-Q387 PolarHBondContact O-NE2 3.4Å; G382-Q387 VanDerWaalsContact O-CG 3.31Å; G382-Q387 WeakPolarHBondContact O-CG 3.19Å; D383-Q387 WeakPolarHBondContact O-CG 3.49Å; D383-Q387 PolarHBondContact O-N 3.41Å; Q387-A390 PolarHBondContact O-N 3.27Å; Q387-A391 WeakPolarHBondContact O-CB 3.4Å; Q387-A391 PolarHBondContact O-N 3.17Å; Q387-L421 HydrophobicContact CB-CD1 4.44Å; Q387-L421 HydrophobicContact CB-CD2 4.26Å |
| 388 | K | 94.6 | Very high | 95.5 | Very high | 36 Ų | 36 | 27 Ų | 27 | 16% | 0.157 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58 | -49.9 | 174.4 | 176.1 | 163 | -172.8 | 163.3 | 0 | 111.5 | F384 T386 A390 A391 W392 D426 V429 | F384-K388 WeakPolarHBondContact O-CB 3.48Å; F384-K388 PolarHBondContact O-N 2.94Å; T386-K388 VanDerWaalsContact C-N 3.26Å; T386-K388 PolarHBondContact O-N 3.16Å; K388-A390 VanDerWaalsContact C-N 3.31Å; K388-A390 PolarHBondContact O-N 3.44Å; K388-A391 WeakPolarHBondContact O-CB 3.37Å; K388-A391 PolarHBondContact O-N 2.91Å; K388-W392 PolarHBondContact O-N 3.42Å; K388-W392 VanDerWaalsContact O-N 3.16Å; K388-D426 IonicContact NZ-OD2 3.67Å; K388-D426 PolarHBondContact NZ-OD2 2.95Å; K388-V429 HydrophobicContact CB-CG2 4.16Å; K388-V429 HydrophobicContact CD-CG2 3.73Å; K388-V429 HydrophobicContact CG-CG2 3.76Å |
| 389 | E | 94.3 | Very high | 95.1 | Very high | 8 Ų | 8 | 29.9 Ų | 29.9 | 4% | 0.037 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.9 | -34 | 178.8 | -56.3 | -54.3 | 159.5 | 0 | 0 | 112 | R27 K346 V349 W350 T386 W392 A393 | R27-E389 IonicContact CZ-OE2 2.65Å; R27-E389 VanDerWaalsContact NH2-CD 3.25Å; R27-E389 IonicContact NH2-OE1 2.83Å; R27-E389 PolarHBondContact NH2-OE1 3.33Å; R27-E389 IonicContact NH2-OE2 3.34Å; R27-E389 PolarHBondContact NH2-OE2 3.04Å; K346-E389 HydrophobicContact CG-CG 4.05Å; V349-E389 HydrophobicContact CB-CB 4.23Å; V349-E389 VanDerWaalsContact CG1-C 3.43Å; V349-E389 HydrophobicContact CG1-CB 3.79Å; W350-E389 HydrophobicContact CB-CG 4.19Å; T386-E389 PolarHBondContact O-N 2.96Å; T386-E389 VanDerWaalsContact O-N 3.14Å; E389-W392 WeakPolarHBondContact O-CB 3.27Å; E389-W392 PolarHBondContact O-N 3.43Å; E389-A393 PolarHBondContact O-N 2.85Å |
| 390 | A | 97.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.4 | -41.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111 | V349 I375 L379 T386 Q387 K388 W392 A393 I394 | V349-A390 HydrophobicContact CG1-CB 3.83Å; I375-A390 HydrophobicContact CG2-CB 4.17Å; L379-A390 HydrophobicContact CB-CB 3.82Å; L379-A390 HydrophobicContact CD1-CB 3.84Å; L379-A390 HydrophobicContact CG-CB 4.47Å; T386-A390 PolarHBondContact O-N 2.99Å; Q387-A390 PolarHBondContact O-N 3.27Å; K388-A390 VanDerWaalsContact C-N 3.31Å; K388-A390 PolarHBondContact O-N 3.44Å; A390-W392 VanDerWaalsContact C-N 3.29Å; A390-W392 PolarHBondContact O-N 3.4Å; A390-A393 WeakPolarHBondContact O-CB 3.48Å; A390-A393 PolarHBondContact O-N 3.2Å; A390-A393 VanDerWaalsContact O-N 3.12Å; A390-I394 WeakPolarHBondContact O-CG1 3.39Å; A390-I394 PolarHBondContact O-N 3.25Å |
| 391 | A | 97.4 | Very high | 94.2 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.008 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.1 | -40.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L379 Q387 K388 S395 F418 L421 V432 V433 | L379-A391 HydrophobicContact CD1-CB 4Å; Q387-A391 WeakPolarHBondContact O-CB 3.4Å; Q387-A391 PolarHBondContact O-N 3.17Å; K388-A391 WeakPolarHBondContact O-CB 3.37Å; K388-A391 PolarHBondContact O-N 2.91Å; A391-S395 VanDerWaalsContact O-CB 3.26Å; A391-S395 WeakPolarHBondContact O-CB 3.34Å; A391-S395 PolarHBondContact O-N 3.34Å; A391-F418 HydrophobicContact CB-CE2 4.07Å; A391-L421 HydrophobicContact CB-CD1 3.77Å; A391-V432 HydrophobicContact CB-CG1 4.46Å; A391-V433 HydrophobicContact CB-CG2 4.31Å |
| 392 | W | 93.6 | Very high | 94.1 | Very high | 47 Ų | 47 | 25.5 Ų | 25.5 | 18% | 0.178 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.3 | -45.8 | 171.6 | -77.7 | 106.4 | 0 | 0 | 0 | 112.2 | R27 K388 E389 A390 I394 S395 N396 Q428 V432 | R27-W392 VanDerWaalsContact NH1-CE2 3.25Å; R27-W392 VanDerWaalsContact NH1-NE1 3.19Å; K388-W392 PolarHBondContact O-N 3.42Å; K388-W392 VanDerWaalsContact O-N 3.16Å; E389-W392 WeakPolarHBondContact O-CB 3.27Å; E389-W392 PolarHBondContact O-N 3.43Å; A390-W392 VanDerWaalsContact C-N 3.29Å; A390-W392 PolarHBondContact O-N 3.4Å; W392-I394 VanDerWaalsContact C-N 3.33Å; W392-I394 PolarHBondContact O-N 2.75Å; W392-S395 PolarHBondContact O-N 3.3Å; W392-N396 VanDerWaalsContact O-CB 3.27Å; W392-N396 WeakPolarHBondContact O-CB 3.22Å; W392-N396 PolarHBondContact O-N 3.19Å; W392-N396 PolarHBondContact O-ND2 3.28Å; W392-Q428 HydrophobicContact CZ2-CG 4.18Å; W392-V432 HydrophobicContact CD2-CG1 4.22Å; W392-V432 HydrophobicContact CD2-CG2 4.04Å; W392-V432 HydrophobicContact CE3-CG1 4.32Å; W392-V432 HydrophobicContact CE3-CG2 4.08Å; W392-V432 HydrophobicContact CH2-CG2 3.5Å; W392-V432 VanDerWaalsContact CH2-CG2 3.5Å; W392-V432 HydrophobicContact CZ2-CG2 3.44Å; W392-V432 VanDerWaalsContact CZ2-CG2 3.44Å; W392-V432 HydrophobicContact CZ3-CG2 3.82Å |
| 393 | A | 94.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.008 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.6 | -44.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | T356 I375 E389 A390 L397 | T356-A393 PolarHBondContact OG1-O 3.17Å; I375-A393 HydrophobicContact CG2-CB 4.03Å; E389-A393 PolarHBondContact O-N 2.85Å; A390-A393 WeakPolarHBondContact O-CB 3.48Å; A390-A393 PolarHBondContact O-N 3.2Å; A390-A393 VanDerWaalsContact O-N 3.12Å; A393-L397 WeakPolarHBondContact O-CB 3.37Å; A393-L397 PolarHBondContact O-N 3.18Å; A393-L397 VanDerWaalsContact O-N 3.14Å |
| 394 | I | 98 | Very high | 94.2 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.5 | -50.5 | 176.8 | -65.3 | -42.1 | 0 | 0 | 0 | 111 | I375 I376 L379 A390 W392 N396 L397 T398 L409 V414 F418 | I375-I394 HydrophobicContact CG2-CD1 3.76Å; I375-I394 HydrophobicContact CG2-CG1 4.24Å; I376-I394 HydrophobicContact CG1-CD1 4.35Å; L379-I394 HydrophobicContact CD2-CG1 4.31Å; A390-I394 WeakPolarHBondContact O-CG1 3.39Å; A390-I394 PolarHBondContact O-N 3.25Å; W392-I394 VanDerWaalsContact C-N 3.33Å; W392-I394 PolarHBondContact O-N 2.75Å; I394-N396 VanDerWaalsContact C-N 3.33Å; I394-N396 PolarHBondContact O-N 2.9Å; I394-L397 WeakPolarHBondContact O-CB 3.37Å; I394-L397 PolarHBondContact O-N 3.11Å; I394-L397 VanDerWaalsContact O-N 3.14Å; I394-T398 VanDerWaalsContact O-CG2 3.27Å; I394-T398 WeakPolarHBondContact O-CG2 3.43Å; I394-T398 PolarHBondContact O-N 3.23Å; I394-L409 HydrophobicContact CD1-CD1 3.74Å; I394-L409 HydrophobicContact CG2-CD2 3.86Å; I394-V414 HydrophobicContact CD1-CG2 4.26Å; I394-V414 HydrophobicContact CG1-CG2 4.02Å; I394-V414 HydrophobicContact CG2-CG2 3.68Å; I394-F418 HydrophobicContact CB-CE2 4.4Å; I394-F418 HydrophobicContact CB-CZ 4.47Å; I394-F418 HydrophobicContact CG2-CD1 4.31Å; I394-F418 HydrophobicContact CG2-CD2 4.48Å; I394-F418 HydrophobicContact CG2-CE1 4Å; I394-F418 HydrophobicContact CG2-CE2 4.2Å; I394-F418 HydrophobicContact CG2-CZ 3.94Å |
| 395 | S | 95.1 | Very high | 94.4 | Very high | 4 Ų | 4 | 26.1 Ų | 26.1 | 3% | 0.028 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.6 | -40.5 | -179.5 | -168.3 | 0 | 0 | 0 | 0 | 112.2 | A391 W392 L397 T398 I399 V432 | A391-S395 VanDerWaalsContact O-CB 3.26Å; A391-S395 WeakPolarHBondContact O-CB 3.34Å; A391-S395 PolarHBondContact O-N 3.34Å; W392-S395 PolarHBondContact O-N 3.3Å; S395-L397 VanDerWaalsContact C-N 3.32Å; S395-L397 PolarHBondContact O-N 3.35Å; S395-T398 PolarHBondContact O-N 3.23Å; S395-T398 PolarHBondContact O-OG1 3.09Å; S395-T398 VanDerWaalsContact O-OG1 3.06Å; S395-I399 VanDerWaalsContact O-CG1 3.32Å; S395-I399 WeakPolarHBondContact O-CG1 3.21Å; S395-I399 PolarHBondContact O-N 3.42Å; S395-I399 VanDerWaalsContact O-N 3.11Å; S395-V432 PolarHBondContact OG-O 3.36Å; S395-V432 VanDerWaalsContact OG-O 3.1Å |
| 396 | N | 91.8 | Very high | 94.6 | Very high | 28 Ų | 28 | 25.4 Ų | 25.4 | 15% | 0.15 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.8 | -39.1 | 175.3 | -72.1 | -13.5 | 0 | 0 | 0 | 112.2 | S353 T356 A357 W392 I394 T398 I399 S400 | S353-N396 PolarHBondContact O-ND2 3.3Å; T356-N396 CarbonylContact O-C 3.39Å; A357-N396 HydrophobicContact CB-CB 4.19Å; W392-N396 VanDerWaalsContact O-CB 3.27Å; W392-N396 WeakPolarHBondContact O-CB 3.22Å; W392-N396 PolarHBondContact O-N 3.19Å; W392-N396 PolarHBondContact O-ND2 3.28Å; I394-N396 VanDerWaalsContact C-N 3.33Å; I394-N396 PolarHBondContact O-N 2.9Å; N396-T398 VanDerWaalsContact C-N 3.34Å; N396-I399 PolarHBondContact O-N 2.75Å; N396-S400 WeakPolarHBondContact O-CB 3.48Å; N396-S400 PolarHBondContact O-N 3.19Å; N396-S400 PolarHBondContact O-OG 3Å |
| 397 | L | 95.2 | Very high | 94.7 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.5 | -43.1 | 174.5 | -170.6 | 158.9 | 0 | 0 | 0 | 110.8 | T356 V363 I372 A393 I394 S395 I399 S400 G401 V406 L409 | T356-L397 HydrophobicContact CG2-CB 4.38Å; T356-L397 HydrophobicContact CG2-CD1 4.42Å; V363-L397 HydrophobicContact CG1-CD1 4.09Å; V363-L397 HydrophobicContact CG1-CD2 4.36Å; V363-L397 HydrophobicContact CG1-CG 3.72Å; I372-L397 HydrophobicContact CD1-CD1 3.45Å; I372-L397 VanDerWaalsContact CD1-CD1 3.45Å; I372-L397 HydrophobicContact CG1-CD1 4.45Å; A393-L397 WeakPolarHBondContact O-CB 3.37Å; A393-L397 PolarHBondContact O-N 3.18Å; A393-L397 VanDerWaalsContact O-N 3.14Å; I394-L397 WeakPolarHBondContact O-CB 3.37Å; I394-L397 PolarHBondContact O-N 3.11Å; I394-L397 VanDerWaalsContact O-N 3.14Å; S395-L397 VanDerWaalsContact C-N 3.32Å; S395-L397 PolarHBondContact O-N 3.35Å; L397-I399 VanDerWaalsContact C-N 3.27Å; L397-I399 PolarHBondContact O-N 3.08Å; L397-S400 PolarHBondContact O-N 3.18Å; L397-G401 VanDerWaalsContact O-CA 3.28Å; L397-G401 WeakPolarHBondContact O-CA 3.37Å; L397-G401 PolarHBondContact O-N 3.42Å; L397-V406 HydrophobicContact CD2-CG2 4.36Å; L397-L409 HydrophobicContact CD2-CB 4.32Å; L397-L409 HydrophobicContact CD2-CD2 4.06Å |
| 398 | T | 94.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -71.6 | -22.3 | -178.8 | 75.2 | 0 | 0 | 0 | 0 | 113.6 | I394 S395 N396 L409 N439 I440 | I394-T398 VanDerWaalsContact O-CG2 3.27Å; I394-T398 WeakPolarHBondContact O-CG2 3.43Å; I394-T398 PolarHBondContact O-N 3.23Å; S395-T398 PolarHBondContact O-N 3.23Å; S395-T398 PolarHBondContact O-OG1 3.09Å; S395-T398 VanDerWaalsContact O-OG1 3.06Å; N396-T398 VanDerWaalsContact C-N 3.34Å; T398-L409 HydrophobicContact CG2-CD2 3.7Å; T398-N439 WeakPolarHBondContact OG1-CB 3.1Å; T398-I440 HydrophobicContact CG2-CD1 4.15Å; T398-I440 HydrophobicContact CG2-CG1 3.74Å |
| 399 | I | 89 | Confident | 94.8 | Very high | 78 Ų | 78 | 28.5 Ų | 28.5 | 40% | 0.4 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -80.6 | -46.1 | 173.9 | -66.8 | 164.4 | 0 | 0 | 0 | 111.5 | S395 N396 L397 N439 | S395-I399 VanDerWaalsContact O-CG1 3.32Å; S395-I399 WeakPolarHBondContact O-CG1 3.21Å; S395-I399 PolarHBondContact O-N 3.42Å; S395-I399 VanDerWaalsContact O-N 3.11Å; N396-I399 PolarHBondContact O-N 2.75Å; L397-I399 VanDerWaalsContact C-N 3.27Å; L397-I399 PolarHBondContact O-N 3.08Å; I399-N439 WeakPolarHBondContact CG1-ND2 3.38Å |
| 400 | S | 86.1 | Confident | 94.9 | Very high | 24 Ų | 24 | 29.3 Ų | 29.3 | 17% | 0.168 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -95.8 | -22.5 | -168.2 | -45 | 0 | 0 | 0 | 0 | 113.2 | T356 G358 Q360 N396 L397 | T356-S400 PolarHBondContact O-OG 2.94Å; G358-S400 VanDerWaalsContact O-CB 3.23Å; G358-S400 WeakPolarHBondContact O-CB 3.43Å; Q360-S400 WeakPolarHBondContact CG-O 3.37Å; N396-S400 WeakPolarHBondContact O-CB 3.48Å; N396-S400 PolarHBondContact O-N 3.19Å; N396-S400 PolarHBondContact O-OG 3Å; L397-S400 PolarHBondContact O-N 3.18Å |
| 401 | G | 90.5 | Very high | 94.9 | Very high | 4 Ų | 4 | 35 Ų | 35 | 4% | 0.041 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -74.1 | 162.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L397 Q405 | L397-G401 VanDerWaalsContact O-CA 3.28Å; L397-G401 WeakPolarHBondContact O-CA 3.37Å; L397-G401 PolarHBondContact O-N 3.42Å; G401-Q405 VanDerWaalsContact CA-OE1 3.23Å |
| 402 | R | 94.7 | Very high | 94.9 | Very high | 82 Ų | 82 | 37.9 Ų | 37.9 | 31% | 0.309 | 18% | 0.18 | S | C | . | . | trans | -85.3 | 167.6 | 168.7 | -63.3 | -171.1 | -52.9 | -81.4 | -7.9 | 111.1 | Q360 D404 Q405 V406 | Q360-R402 HydrophobicContact CB-CG 4.31Å; Q360-R402 HydrophobicContact CG-CG 3.81Å; Q360-R402 VanDerWaalsContact OE1-CD 3.24Å; R402-D404 VanDerWaalsContact C-N 3.31Å; R402-D404 WeakPolarHBondContact CB-OD1 3.5Å; R402-D404 IonicContact CZ-OD1 2.78Å; R402-D404 IonicContact CZ-OD2 2.78Å; R402-D404 IonicContact NE-OD1 2.97Å; R402-D404 PolarHBondContact NE-OD1 3.09Å; R402-D404 IonicContact NE-OD2 3.66Å; R402-D404 IonicContact NH2-OD1 2.64Å; R402-D404 IonicContact NH2-OD2 2.86Å; R402-D404 PolarHBondContact NH2-OD2 2.89Å; R402-D404 PolarHBondContact O-N 2.96Å; R402-Q405 WeakPolarHBondContact O-CB 3.32Å; R402-Q405 PolarHBondContact O-N 3.22Å; R402-V406 PolarHBondContact O-N 2.96Å; R402-V406 VanDerWaalsContact O-N 3.08Å | ||
| 403 | K | 95.4 | Very high | 95 | Very high | 97 Ų | 97 | 41.1 Ų | 41.1 | 42% | 0.422 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -48.8 | -48.7 | 176.4 | -177.3 | 172.6 | -179.8 | 172.6 | 0 | 112.6 | Q405 V406 E407 M443 A444 | K403-Q405 VanDerWaalsContact C-N 3.26Å; K403-Q405 PolarHBondContact O-N 2.92Å; K403-V406 PolarHBondContact O-N 2.88Å; K403-E407 WeakPolarHBondContact O-CB 3.36Å; K403-E407 PolarHBondContact O-N 3.42Å; K403-M443 WeakPolarHBondContact CD-O 3.23Å; K403-M443 VanDerWaalsContact CE-O 3.27Å; K403-M443 WeakPolarHBondContact CE-O 3.41Å; K403-M443 WeakPolarHBondContact CG-O 3.42Å; K403-A444 PolarHBondContact NZ-O 3.41Å; K403-A444 VanDerWaalsContact NZ-O 3.08Å |
| 404 | D | 96.3 | Very high | 95.2 | Very high | 78 Ų | 78 | 41 Ų | 41 | 42% | 0.417 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60.2 | -33.9 | -180 | 56.6 | -63.3 | 0 | 0 | 0 | 113.4 | R402 F408 | R402-D404 VanDerWaalsContact C-N 3.31Å; R402-D404 WeakPolarHBondContact CB-OD1 3.5Å; R402-D404 IonicContact CZ-OD1 2.78Å; R402-D404 IonicContact CZ-OD2 2.78Å; R402-D404 IonicContact NE-OD1 2.97Å; R402-D404 PolarHBondContact NE-OD1 3.09Å; R402-D404 IonicContact NE-OD2 3.66Å; R402-D404 IonicContact NH2-OD1 2.64Å; R402-D404 IonicContact NH2-OD2 2.86Å; R402-D404 PolarHBondContact NH2-OD2 2.89Å; R402-D404 PolarHBondContact O-N 2.96Å; D404-F408 PolarHBondContact O-N 3.08Å; D404-F408 VanDerWaalsContact O-N 3.09Å |
| 405 | Q | 97.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -77.4 | -34.8 | 179.7 | -62.8 | 175.3 | -38.8 | 0 | 0 | 111.9 | Q360 V363 I367 G401 R402 K403 L409 | Q360-Q405 PolarHBondContact O-NE2 3.11Å; V363-Q405 HydrophobicContact CG1-CB 4.31Å; V363-Q405 HydrophobicContact CG1-CG 4.47Å; I367-Q405 HydrophobicContact CD1-CB 3.73Å; I367-Q405 HydrophobicContact CD1-CG 3.77Å; G401-Q405 VanDerWaalsContact CA-OE1 3.23Å; R402-Q405 WeakPolarHBondContact O-CB 3.32Å; R402-Q405 PolarHBondContact O-N 3.22Å; K403-Q405 VanDerWaalsContact C-N 3.26Å; K403-Q405 PolarHBondContact O-N 2.92Å; Q405-L409 PolarHBondContact O-N 3.47Å; Q405-L409 VanDerWaalsContact O-N 3.16Å |
| 406 | V | 97.1 | Very high | 95.3 | Very high | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.024 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -73.4 | -38 | 175 | 179.8 | 0 | 0 | 0 | 0 | 110.8 | L397 R402 K403 L409 V410 I440 M443 | L397-V406 HydrophobicContact CD2-CG2 4.36Å; R402-V406 PolarHBondContact O-N 2.96Å; R402-V406 VanDerWaalsContact O-N 3.08Å; K403-V406 PolarHBondContact O-N 2.88Å; V406-L409 WeakPolarHBondContact O-CB 3.13Å; V406-L409 PolarHBondContact O-N 2.68Å; V406-V410 PolarHBondContact O-N 2.94Å; V406-I440 HydrophobicContact CG1-CB 4.44Å; V406-I440 HydrophobicContact CG1-CG1 4.06Å; V406-I440 HydrophobicContact CG1-CG2 4.46Å; V406-M443 HydrophobicContact CB-CB 4.37Å; V406-M443 HydrophobicContact CG1-CB 4.13Å; V406-M443 HydrophobicContact CG2-CG 4.38Å |
| 407 | E | 96.6 | Very high | 95.6 | Very high | 83 Ų | 83 | 42.5 Ų | 42.5 | 39% | 0.388 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -58.8 | -50.4 | 172.2 | -174.5 | 178.5 | 179.5 | 0 | 0 | 110.7 | K403 L409 V410 E411 | K403-E407 WeakPolarHBondContact O-CB 3.36Å; K403-E407 PolarHBondContact O-N 3.42Å; E407-L409 PolarHBondContact O-N 2.88Å; E407-V410 WeakPolarHBondContact O-CA 3.43Å; E407-V410 WeakPolarHBondContact O-CB 3.4Å; E407-V410 PolarHBondContact O-N 3.13Å; E407-E411 WeakPolarHBondContact O-CG 3.46Å; E407-E411 PolarHBondContact O-N 3.44Å |
| 408 | F | 97.8 | Very high | 95.7 | Very high | 57 Ų | 57 | 42.4 Ų | 42.4 | 25% | 0.25 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -54.9 | -40.6 | 173.7 | 177.8 | -99.1 | 0 | 0 | 0 | 112.5 | I367 I372 D404 V410 E411 Q412 | I367-F408 HydrophobicContact CD1-CD1 4.42Å; I367-F408 HydrophobicContact CG1-CD1 4.21Å; I367-F408 HydrophobicContact CG1-CE1 4.42Å; I367-F408 HydrophobicContact CG2-CD1 3.84Å; I367-F408 HydrophobicContact CG2-CE1 3.72Å; I367-F408 HydrophobicContact CG2-CG 4.41Å; I367-F408 HydrophobicContact CG2-CZ 4.19Å; I372-F408 HydrophobicContact CB-CE1 4.16Å; I372-F408 HydrophobicContact CG1-CE1 4.25Å; I372-F408 HydrophobicContact CG2-CE1 4.39Å; D404-F408 PolarHBondContact O-N 3.08Å; D404-F408 VanDerWaalsContact O-N 3.09Å; F408-V410 VanDerWaalsContact C-N 3.32Å; F408-V410 PolarHBondContact O-N 2.87Å; F408-E411 WeakPolarHBondContact O-CB 3.31Å; F408-E411 PolarHBondContact O-N 3.48Å; F408-Q412 HydrophobicContact CD1-CG 4.21Å; F408-Q412 HydrophobicContact CE1-CG 3.73Å; F408-Q412 HydrophobicContact CE2-CG 4.32Å; F408-Q412 HydrophobicContact CZ-CG 3.8Å; F408-Q412 WeakPolarHBondContact O-CG 3.48Å; F408-Q412 PolarHBondContact O-N 3.31Å |
| 409 | L | 96.9 | Very high | 95.9 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.9 | -39.9 | 177.3 | 175.5 | 71.4 | 0 | 0 | 0 | 112 | I372 I376 I394 L397 T398 Q405 V406 E407 Q412 V414 | I372-L409 HydrophobicContact CG2-CD1 3.62Å; I376-L409 HydrophobicContact CD1-CD1 4.05Å; I394-L409 HydrophobicContact CD1-CD1 3.74Å; I394-L409 HydrophobicContact CG2-CD2 3.86Å; L397-L409 HydrophobicContact CD2-CB 4.32Å; L397-L409 HydrophobicContact CD2-CD2 4.06Å; T398-L409 HydrophobicContact CG2-CD2 3.7Å; Q405-L409 PolarHBondContact O-N 3.47Å; Q405-L409 VanDerWaalsContact O-N 3.16Å; V406-L409 WeakPolarHBondContact O-CB 3.13Å; V406-L409 PolarHBondContact O-N 2.68Å; E407-L409 PolarHBondContact O-N 2.88Å; L409-Q412 PolarHBondContact O-N 3.13Å; L409-V414 HydrophobicContact CD1-CB 3.9Å; L409-V414 HydrophobicContact CD1-CG1 4.23Å; L409-V414 HydrophobicContact CD1-CG2 3.97Å; L409-V414 HydrophobicContact CD2-CG1 4.06Å; L409-V414 HydrophobicContact CD2-CG2 4.49Å; L409-V414 HydrophobicContact CG-CB 3.94Å; L409-V414 HydrophobicContact CG-CG1 3.68Å; L409-V414 HydrophobicContact CG-CG2 4.26Å |
| 410 | V | 96.9 | Very high | 96.2 | Very high | 24 Ų | 24 | 43.1 Ų | 43.1 | 15% | 0.145 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65 | -45.1 | 174.3 | 173 | 0 | 0 | 0 | 0 | 110.8 | V406 E407 F408 Q412 N413 I415 I440 I451 I454 | V406-V410 PolarHBondContact O-N 2.94Å; E407-V410 WeakPolarHBondContact O-CA 3.43Å; E407-V410 WeakPolarHBondContact O-CB 3.4Å; E407-V410 PolarHBondContact O-N 3.13Å; F408-V410 VanDerWaalsContact C-N 3.32Å; F408-V410 PolarHBondContact O-N 2.87Å; V410-Q412 PolarHBondContact O-N 2.92Å; V410-N413 WeakPolarHBondContact O-CA 3.21Å; V410-N413 PolarHBondContact O-N 3.22Å; V410-I415 HydrophobicContact CG1-CD1 4Å; V410-I415 HydrophobicContact CG2-CD1 4.37Å; V410-I440 HydrophobicContact CG2-CG2 3.58Å; V410-I451 HydrophobicContact CB-CD1 4.35Å; V410-I451 HydrophobicContact CG1-CD1 3.56Å; V410-I451 HydrophobicContact CG2-CD1 4.01Å; V410-I454 HydrophobicContact CG1-CD1 4.47Å |
| 411 | E | 96.9 | Very high | 96.8 | Very high | 119 Ų | 119 | 42.2 Ų | 42.2 | 56% | 0.556 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -57.5 | -30.4 | 176.2 | -66.1 | 178.5 | 158.3 | 0 | 0 | 112.3 | E407 F408 N413 | E407-E411 WeakPolarHBondContact O-CG 3.46Å; E407-E411 PolarHBondContact O-N 3.44Å; F408-E411 WeakPolarHBondContact O-CB 3.31Å; F408-E411 PolarHBondContact O-N 3.48Å; E411-N413 PolarHBondContact O-N 3.3Å; E411-N413 PolarHBondContact O-ND2 3.1Å |
| 412 | Q | 97.8 | Very high | 97.1 | Very high | 62 Ų | 62 | 42.1 Ų | 42.1 | 29% | 0.29 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 11.3 | 173.4 | -62 | -48.4 | -60.4 | 0 | 0 | 114.2 | I372 P373 I376 F408 L409 V410 | I372-Q412 HydrophobicContact CG2-CB 4.39Å; I372-Q412 HydrophobicContact CG2-CG 4.27Å; P373-Q412 HydrophobicContact CG-CG 4.36Å; I376-Q412 HydrophobicContact CD1-CB 3.53Å; I376-Q412 WeakPolarHBondContact CD1-O 3.17Å; F408-Q412 HydrophobicContact CD1-CG 4.21Å; F408-Q412 HydrophobicContact CE1-CG 3.73Å; F408-Q412 HydrophobicContact CE2-CG 4.32Å; F408-Q412 HydrophobicContact CZ-CG 3.8Å; F408-Q412 WeakPolarHBondContact O-CG 3.48Å; F408-Q412 PolarHBondContact O-N 3.31Å; L409-Q412 PolarHBondContact O-N 3.13Å; V410-Q412 PolarHBondContact O-N 2.92Å |
| 413 | N | 97 | Very high | 97.1 | Very high | 115 Ų | 115 | 42.2 Ų | 42.2 | 62% | 0.615 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 43.4 | 177.6 | -66.8 | -80 | 0 | 0 | 0 | 114 | V410 E411 I415 P417 | V410-N413 WeakPolarHBondContact O-CA 3.21Å; V410-N413 PolarHBondContact O-N 3.22Å; E411-N413 PolarHBondContact O-N 3.3Å; E411-N413 PolarHBondContact O-ND2 3.1Å; N413-I415 VanDerWaalsContact C-N 3.32Å; N413-I415 PolarHBondContact O-N 2.98Å; N413-P417 WeakPolarHBondContact O-CD 3.19Å |
| 414 | V | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -68 | -29.2 | 177.5 | 74.1 | 0 | 0 | 0 | 0 | 113.4 | I376 L379 I394 L409 P417 F418 I440 | I376-V414 HydrophobicContact CD1-CB 3.9Å; I376-V414 HydrophobicContact CD1-CG2 4.26Å; I376-V414 HydrophobicContact CG1-CB 4.26Å; I376-V414 HydrophobicContact CG1-CG2 4.08Å; L379-V414 HydrophobicContact CD2-CG2 4.25Å; I394-V414 HydrophobicContact CD1-CG2 4.26Å; I394-V414 HydrophobicContact CG1-CG2 4.02Å; I394-V414 HydrophobicContact CG2-CG2 3.68Å; L409-V414 HydrophobicContact CD1-CB 3.9Å; L409-V414 HydrophobicContact CD1-CG1 4.23Å; L409-V414 HydrophobicContact CD1-CG2 3.97Å; L409-V414 HydrophobicContact CD2-CG1 4.06Å; L409-V414 HydrophobicContact CD2-CG2 4.49Å; L409-V414 HydrophobicContact CG-CB 3.94Å; L409-V414 HydrophobicContact CG-CG1 3.68Å; L409-V414 HydrophobicContact CG-CG2 4.26Å; V414-P417 WeakPolarHBondContact O-CD 3.39Å; V414-P417 VanDerWaalsContact O-CG 3.25Å; V414-P417 WeakPolarHBondContact O-CG 3.41Å; V414-F418 HydrophobicContact CG2-CB 4.45Å; V414-F418 VanDerWaalsContact O-CB 3.24Å; V414-F418 WeakPolarHBondContact O-CB 3.37Å; V414-F418 PolarHBondContact O-N 2.93Å; V414-I440 HydrophobicContact CG1-CD1 4.24Å | ||
| 415 | I | 98.1 | Very high | 96.9 | Very high | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.015 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.7 | -52.8 | -165.7 | -65.1 | 168.2 | 0 | 0 | 0 | 111.9 | V410 N413 F418 C419 I451 I454 I455 | V410-I415 HydrophobicContact CG1-CD1 4Å; V410-I415 HydrophobicContact CG2-CD1 4.37Å; N413-I415 VanDerWaalsContact C-N 3.32Å; N413-I415 PolarHBondContact O-N 2.98Å; I415-F418 PolarHBondContact O-N 3.47Å; I415-F418 VanDerWaalsContact O-N 3.14Å; I415-C419 PolarHBondContact O-N 2.65Å; I415-C419 PolarHBondContact O-SG 3.31Å; I415-I451 HydrophobicContact CD1-CD1 4.3Å; I415-I451 HydrophobicContact CD1-CG2 3.92Å; I415-I454 HydrophobicContact CB-CG2 3.98Å; I415-I454 HydrophobicContact CD1-CB 4.13Å; I415-I454 HydrophobicContact CD1-CD1 4.3Å; I415-I454 HydrophobicContact CD1-CG2 3.8Å; I415-I454 HydrophobicContact CG1-CG2 4.5Å; I415-I454 HydrophobicContact CG2-CG2 3.93Å; I415-I455 HydrophobicContact CG2-CB 4.49Å; I415-I455 HydrophobicContact CG2-CG1 3.59Å |
| 416 | P | 97.8 | Very high | 96.6 | Very high | 45 Ų | 45 | 47.6 Ų | 47.6 | 29% | 0.292 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58 | -50.4 | -179.6 | -23 | 33 | 0 | 0 | 0 | 114.9 | F418 C419 N420 C458 | P416-F418 PolarHBondContact O-N 3.19Å; P416-C419 PolarHBondContact O-N 3.27Å; P416-N420 VanDerWaalsContact O-CG 3.3Å; P416-N420 PolarHBondContact O-N 3.26Å; P416-N420 VanDerWaalsContact O-N 3.1Å; P416-N420 PolarHBondContact O-ND2 2.99Å; P416-C458 HydrophobicContact CB-CB 4.03Å; P416-C458 HydrophobicContact CG-CB 4.03Å |
| 417 | P | 97.7 | Very high | 96.5 | Very high | 14 Ų | 14 | 49.4 Ų | 49.4 | 9% | 0.091 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.8 | -27.3 | 177.6 | 24.7 | -31.9 | 0 | 0 | 0 | 112.8 | I376 L379 A380 N413 V414 | I376-P417 HydrophobicContact CG2-CG 3.79Å; L379-P417 HydrophobicContact CD2-CB 4.07Å; L379-P417 HydrophobicContact CD2-CG 4.24Å; L379-P417 HydrophobicContact CG-CB 4.25Å; A380-P417 HydrophobicContact CB-CB 3.77Å; N413-P417 WeakPolarHBondContact O-CD 3.19Å; V414-P417 WeakPolarHBondContact O-CD 3.39Å; V414-P417 VanDerWaalsContact O-CG 3.25Å; V414-P417 WeakPolarHBondContact O-CG 3.41Å |
| 418 | F | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -72.3 | -46.7 | 175.7 | -155.5 | -151 | 0 | 0 | 0 | 111.5 | L379 A391 I394 V414 I415 P416 N420 L421 V433 L437 I440 | L379-F418 HydrophobicContact CD1-CD2 4.45Å; L379-F418 HydrophobicContact CD2-CB 4.11Å; L379-F418 HydrophobicContact CD2-CD2 4.11Å; L379-F418 HydrophobicContact CD2-CG 4.48Å; A391-F418 HydrophobicContact CB-CE2 4.07Å; I394-F418 HydrophobicContact CB-CE2 4.4Å; I394-F418 HydrophobicContact CB-CZ 4.47Å; I394-F418 HydrophobicContact CG2-CD1 4.31Å; I394-F418 HydrophobicContact CG2-CD2 4.48Å; I394-F418 HydrophobicContact CG2-CE1 4Å; I394-F418 HydrophobicContact CG2-CE2 4.2Å; I394-F418 HydrophobicContact CG2-CZ 3.94Å; V414-F418 HydrophobicContact CG2-CB 4.45Å; V414-F418 VanDerWaalsContact O-CB 3.24Å; V414-F418 WeakPolarHBondContact O-CB 3.37Å; V414-F418 PolarHBondContact O-N 2.93Å; I415-F418 PolarHBondContact O-N 3.47Å; I415-F418 VanDerWaalsContact O-N 3.14Å; P416-F418 PolarHBondContact O-N 3.19Å; F418-N420 PolarHBondContact O-N 3.17Å; F418-L421 PolarHBondContact O-N 3.4Å; F418-V433 HydrophobicContact CD1-CG1 4.3Å; F418-V433 HydrophobicContact CD2-CB 4.31Å; F418-V433 HydrophobicContact CD2-CG1 3.92Å; F418-V433 HydrophobicContact CD2-CG2 3.88Å; F418-V433 HydrophobicContact CE1-CG1 4.46Å; F418-V433 HydrophobicContact CE2-CB 4.04Å; F418-V433 HydrophobicContact CE2-CG1 4.09Å; F418-V433 HydrophobicContact CE2-CG2 3.66Å; F418-V433 HydrophobicContact CG-CG1 4.02Å; F418-V433 HydrophobicContact CZ-CB 4.33Å; F418-V433 HydrophobicContact CZ-CG1 4.36Å; F418-V433 HydrophobicContact CZ-CG2 4.41Å; F418-V433 VanDerWaalsContact O-CG1 3.24Å; F418-V433 WeakPolarHBondContact O-CG1 3.37Å; F418-L437 HydrophobicContact CD1-CD2 3.82Å; F418-L437 HydrophobicContact CD1-CG 3.94Å; F418-L437 HydrophobicContact CE1-CD2 4.48Å; F418-L437 HydrophobicContact CE1-CG 4.25Å; F418-I440 HydrophobicContact CD1-CD1 4.48Å |
| 419 | C | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.5 | -27.5 | 174.3 | -70.8 | 0 | 0 | 0 | 0 | 113.1 | I415 P416 L421 L422 K463 | I415-C419 PolarHBondContact O-N 2.65Å; I415-C419 PolarHBondContact O-SG 3.31Å; P416-C419 PolarHBondContact O-N 3.27Å; C419-L421 PolarHBondContact O-N 3.34Å; C419-L422 HydrophobicContact CB-CD1 4.32Å; C419-L422 WeakPolarHBondContact O-CB 3.37Å; C419-L422 PolarHBondContact O-N 3.22Å; C419-L422 VanDerWaalsContact O-N 3.16Å; C419-K463 WeakPolarHBondContact O-CD 3.19Å; C419-K463 PolarHBondContact O-NZ 2.77Å |
| 420 | N | 96.5 | Very high | 95.9 | Very high | 93 Ų | 93 | 45.5 Ų | 45.5 | 50% | 0.497 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -61.5 | -25.5 | 173.8 | -73.5 | -25.3 | 0 | 0 | 0 | 113.8 | P416 F418 L422 K463 | P416-N420 VanDerWaalsContact O-CG 3.3Å; P416-N420 PolarHBondContact O-N 3.26Å; P416-N420 VanDerWaalsContact O-N 3.1Å; P416-N420 PolarHBondContact O-ND2 2.99Å; F418-N420 PolarHBondContact O-N 3.17Å; N420-L422 VanDerWaalsContact C-N 3.32Å; N420-K463 PolarHBondContact OD1-NZ 3.47Å |
| 421 | L | 96.9 | Very high | 95.7 | Very high | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -82.9 | -5 | 178 | -63.8 | -174.3 | 0 | 0 | 0 | 113.9 | L379 Q387 A391 F418 C419 S423 V424 V429 V433 | L379-L421 HydrophobicContact CD1-CD1 3.51Å; L379-L421 HydrophobicContact CG-CD1 4.47Å; Q387-L421 HydrophobicContact CB-CD1 4.44Å; Q387-L421 HydrophobicContact CB-CD2 4.26Å; A391-L421 HydrophobicContact CB-CD1 3.77Å; F418-L421 PolarHBondContact O-N 3.4Å; C419-L421 PolarHBondContact O-N 3.34Å; L421-S423 PolarHBondContact O-N 2.86Å; L421-V424 HydrophobicContact CD2-CG1 4.05Å; L421-V424 WeakPolarHBondContact O-CG2 3.35Å; L421-V424 PolarHBondContact O-N 3.26Å; L421-V429 HydrophobicContact CB-CG1 4.19Å; L421-V429 HydrophobicContact CD1-CG1 4.18Å; L421-V433 HydrophobicContact CB-CG2 3.71Å; L421-V433 HydrophobicContact CD1-CG2 4.31Å |
| 422 | L | 97.1 | Very high | 95.6 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.016 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -68.5 | -21.8 | 176.2 | -68.1 | 172.4 | 0 | 0 | 0 | 113.2 | C419 N420 V433 L434 L437 K463 I464 L467 | C419-L422 HydrophobicContact CB-CD1 4.32Å; C419-L422 WeakPolarHBondContact O-CB 3.37Å; C419-L422 PolarHBondContact O-N 3.22Å; C419-L422 VanDerWaalsContact O-N 3.16Å; N420-L422 VanDerWaalsContact C-N 3.32Å; L422-V433 HydrophobicContact CD2-CB 4.07Å; L422-V433 HydrophobicContact CD2-CG1 3.55Å; L422-V433 HydrophobicContact CG-CG1 3.84Å; L422-L434 HydrophobicContact CD2-CD2 3.63Å; L422-L434 HydrophobicContact CD2-CG 3.77Å; L422-L437 HydrophobicContact CD1-CD1 3.97Å; L422-L437 HydrophobicContact CD2-CD1 4.38Å; L422-L437 HydrophobicContact CG-CD1 4.49Å; L422-K463 HydrophobicContact CB-CB 3.89Å; L422-K463 HydrophobicContact CB-CD 4.34Å; L422-K463 HydrophobicContact CD1-CB 4Å; L422-I464 HydrophobicContact CD1-CD1 4.41Å; L422-I464 HydrophobicContact CD1-CG1 3.67Å; L422-L467 HydrophobicContact CB-CD1 4.22Å; L422-L467 HydrophobicContact CD2-CD1 3.87Å |
| 423 | S | 94.6 | Very high | 95.6 | Very high | 84 Ų | 84 | 37.5 Ų | 37.5 | 59% | 0.587 | 20% | 0.202 | S | C | * | . | G | 310 helix | trans | -94.8 | 6.9 | -177.7 | -49.6 | 0 | 0 | 0 | 0 | 113.7 | L421 | L421-S423 PolarHBondContact O-N 2.86Š|
| 424 | V | 95 | Very high | 95.6 | Very high | 34 Ų | 34 | 32 Ų | 32 | 21% | 0.206 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -81.3 | 156 | -178.5 | -53.4 | 0 | 0 | 0 | 0 | 111.4 | F384 L421 D426 V429 V430 | F384-V424 HydrophobicContact CE2-CB 4.02Å; F384-V424 HydrophobicContact CE2-CG1 4Å; F384-V424 HydrophobicContact CE2-CG2 4.22Å; F384-V424 HydrophobicContact CZ-CB 4.48Å; F384-V424 HydrophobicContact CZ-CG2 4.46Å; L421-V424 HydrophobicContact CD2-CG1 4.05Å; L421-V424 WeakPolarHBondContact O-CG2 3.35Å; L421-V424 PolarHBondContact O-N 3.26Å; V424-D426 VanDerWaalsContact C-N 3.34Å; V424-D426 PolarHBondContact O-N 3.27Å; V424-V429 HydrophobicContact CG2-CB 3.96Å; V424-V429 HydrophobicContact CG2-CG1 3.93Å; V424-V430 HydrophobicContact CG2-CG2 3.93Å; V424-V430 WeakPolarHBondContact O-CG2 3.48Å |
| 425 | K | 92.9 | Very high | 95.4 | Very high | 209 Ų | 209 | 33.4 Ų | 33.4 | 91% | 0.909 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -74.6 | -21.1 | -178.9 | -64.5 | -174.6 | 178.1 | -176.6 | 0 | 114.3 | S427 | K425-S427 PolarHBondContact O-N 3.41Å; K425-S427 VanDerWaalsContact O-N 3.14Å |
| 426 | D | 92.6 | Very high | 95.3 | Very high | 46 Ų | 46 | 33.3 Ų | 33.3 | 25% | 0.246 | 18% | 0.179 | C | C | . | . | trans | -77.3 | 99.6 | -179.5 | -173.9 | -21.4 | 0 | 0 | 0 | 109.2 | F384 K388 V424 Q428 V429 V430 | F384-D426 HydrophobicContact CE1-CB 4.43Å; F384-D426 HydrophobicContact CZ-CB 3.88Å; K388-D426 IonicContact NZ-OD2 3.67Å; K388-D426 PolarHBondContact NZ-OD2 2.95Å; V424-D426 VanDerWaalsContact C-N 3.34Å; V424-D426 PolarHBondContact O-N 3.27Å; D426-Q428 PolarHBondContact O-N 3.45Å; D426-Q428 VanDerWaalsContact O-N 3.12Å; D426-Q428 WeakPolarHBondContact OD1-CB 3.23Å; D426-Q428 PolarHBondContact OD1-N 2.9Å; D426-V429 HydrophobicContact CB-CB 4.22Å; D426-V429 HydrophobicContact CB-CG2 3.95Å; D426-V429 WeakPolarHBondContact O-CB 3.44Å; D426-V429 PolarHBondContact O-N 3.05Å; D426-V429 PolarHBondContact OD1-N 3.39Å; D426-V430 PolarHBondContact O-N 2.96Å; D426-V430 VanDerWaalsContact O-N 3.12Å | ||
| 427 | S | 93.5 | Very high | 95.3 | Very high | 41 Ų | 41 | 31.2 Ų | 31.2 | 29% | 0.287 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -55.2 | -29.4 | 179.4 | -52.6 | 0 | 0 | 0 | 0 | 113.1 | K425 V430 Q431 H470 I475 | K425-S427 PolarHBondContact O-N 3.41Å; K425-S427 VanDerWaalsContact O-N 3.14Å; S427-V430 PolarHBondContact O-N 2.87Å; S427-Q431 WeakPolarHBondContact O-CB 3.39Å; S427-Q431 PolarHBondContact O-N 3.09Å; S427-H470 PolarHBondContact OG-CE1 2.82Å; S427-H470 PolarHBondContact OG-NE2 3.43Å; S427-I475 WeakPolarHBondContact O-CD1 3.5Å |
| 428 | Q | 89.8 | Confident | 95.2 | Very high | 58 Ų | 58 | 32.2 Ų | 32.2 | 27% | 0.271 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -67 | -41.1 | 176.9 | -169.9 | -175.9 | 27.6 | 0 | 0 | 111.1 | W392 D426 Q431 V432 | W392-Q428 HydrophobicContact CZ2-CG 4.18Å; D426-Q428 PolarHBondContact O-N 3.45Å; D426-Q428 VanDerWaalsContact O-N 3.12Å; D426-Q428 WeakPolarHBondContact OD1-CB 3.23Å; D426-Q428 PolarHBondContact OD1-N 2.9Å; Q428-Q431 PolarHBondContact O-N 3.17Å; Q428-V432 VanDerWaalsContact O-CG2 3.24Å; Q428-V432 WeakPolarHBondContact O-CG2 2.83Å; Q428-V432 PolarHBondContact O-N 3.13Å |
| 429 | V | 93 | Very high | 95.1 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66 | -45.1 | 177.1 | 176.4 | 0 | 0 | 0 | 0 | 110 | F384 K388 L421 V424 D426 Q431 V432 V433 | F384-V429 HydrophobicContact CZ-CG2 4.4Å; K388-V429 HydrophobicContact CB-CG2 4.16Å; K388-V429 HydrophobicContact CD-CG2 3.73Å; K388-V429 HydrophobicContact CG-CG2 3.76Å; L421-V429 HydrophobicContact CB-CG1 4.19Å; L421-V429 HydrophobicContact CD1-CG1 4.18Å; V424-V429 HydrophobicContact CG2-CB 3.96Å; V424-V429 HydrophobicContact CG2-CG1 3.93Å; D426-V429 HydrophobicContact CB-CB 4.22Å; D426-V429 HydrophobicContact CB-CG2 3.95Å; D426-V429 WeakPolarHBondContact O-CB 3.44Å; D426-V429 PolarHBondContact O-N 3.05Å; D426-V429 PolarHBondContact OD1-N 3.39Å; V429-Q431 VanDerWaalsContact C-N 3.31Å; V429-Q431 PolarHBondContact O-N 2.88Å; V429-V432 PolarHBondContact O-N 3.27Å; V429-V433 HydrophobicContact CG1-CG2 4.25Å; V429-V433 WeakPolarHBondContact O-CG2 3.46Å; V429-V433 PolarHBondContact O-N 3.05Å |
| 430 | V | 96.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56.2 | -46.7 | 176.5 | 176 | 0 | 0 | 0 | 0 | 111.1 | V424 D426 S427 V432 V433 L434 L467 I475 | V424-V430 HydrophobicContact CG2-CG2 3.93Å; V424-V430 WeakPolarHBondContact O-CG2 3.48Å; D426-V430 PolarHBondContact O-N 2.96Å; D426-V430 VanDerWaalsContact O-N 3.12Å; S427-V430 PolarHBondContact O-N 2.87Å; V430-V432 PolarHBondContact O-N 3.29Å; V430-V433 PolarHBondContact O-N 3.1Å; V430-L434 HydrophobicContact CG1-CD1 4.29Å; V430-L434 PolarHBondContact O-N 3.47Å; V430-L467 HydrophobicContact CG1-CD1 3.53Å; V430-L467 HydrophobicContact CG1-CD2 3.72Å; V430-L467 HydrophobicContact CG1-CG 4.28Å; V430-I475 HydrophobicContact CB-CD1 4.23Å; V430-I475 HydrophobicContact CG1-CD1 4.15Å; V430-I475 HydrophobicContact CG1-CG2 4.02Å |
| 431 | Q | 93.2 | Very high | 95.1 | Very high | 32 Ų | 32 | 29.8 Ų | 29.8 | 15% | 0.15 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62 | -44.1 | 177.8 | -173.1 | 177.7 | 3.4 | 0 | 0 | 112.5 | S427 Q428 V429 V433 L434 D435 I475 | S427-Q431 WeakPolarHBondContact O-CB 3.39Å; S427-Q431 PolarHBondContact O-N 3.09Å; Q428-Q431 PolarHBondContact O-N 3.17Å; V429-Q431 VanDerWaalsContact C-N 3.31Å; V429-Q431 PolarHBondContact O-N 2.88Å; Q431-V433 VanDerWaalsContact C-N 3.28Å; Q431-V433 PolarHBondContact O-N 3.45Å; Q431-L434 PolarHBondContact O-N 2.89Å; Q431-D435 WeakPolarHBondContact O-CB 3.42Å; Q431-D435 PolarHBondContact O-N 3.46Å; Q431-I475 HydrophobicContact CB-CD1 4.38Å; Q431-I475 HydrophobicContact CB-CG1 4.13Å |
| 432 | V | 93.9 | Very high | 95 | Very high | 5 Ų | 5 | 33.6 Ų | 33.6 | 3% | 0.03 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.3 | -38.3 | 177.8 | 168.5 | 0 | 0 | 0 | 0 | 111.8 | A391 W392 S395 Q428 V429 V430 G436 | A391-V432 HydrophobicContact CB-CG1 4.46Å; W392-V432 HydrophobicContact CD2-CG1 4.22Å; W392-V432 HydrophobicContact CD2-CG2 4.04Å; W392-V432 HydrophobicContact CE3-CG1 4.32Å; W392-V432 HydrophobicContact CE3-CG2 4.08Å; W392-V432 HydrophobicContact CH2-CG2 3.5Å; W392-V432 VanDerWaalsContact CH2-CG2 3.5Å; W392-V432 HydrophobicContact CZ2-CG2 3.44Å; W392-V432 VanDerWaalsContact CZ2-CG2 3.44Å; W392-V432 HydrophobicContact CZ3-CG2 3.82Å; S395-V432 PolarHBondContact OG-O 3.36Å; S395-V432 VanDerWaalsContact OG-O 3.1Å; Q428-V432 VanDerWaalsContact O-CG2 3.24Å; Q428-V432 WeakPolarHBondContact O-CG2 2.83Å; Q428-V432 PolarHBondContact O-N 3.13Å; V429-V432 PolarHBondContact O-N 3.27Å; V430-V432 PolarHBondContact O-N 3.29Å; V432-G436 PolarHBondContact O-N 3.34Å |
| 433 | V | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -69.7 | -47 | 178.2 | 175.3 | 0 | 0 | 0 | 0 | 110.7 | A391 F418 L421 L422 V429 V430 Q431 G436 L437 | A391-V433 HydrophobicContact CB-CG2 4.31Å; F418-V433 HydrophobicContact CD1-CG1 4.3Å; F418-V433 HydrophobicContact CD2-CB 4.31Å; F418-V433 HydrophobicContact CD2-CG1 3.92Å; F418-V433 HydrophobicContact CD2-CG2 3.88Å; F418-V433 HydrophobicContact CE1-CG1 4.46Å; F418-V433 HydrophobicContact CE2-CB 4.04Å; F418-V433 HydrophobicContact CE2-CG1 4.09Å; F418-V433 HydrophobicContact CE2-CG2 3.66Å; F418-V433 HydrophobicContact CG-CG1 4.02Å; F418-V433 HydrophobicContact CZ-CB 4.33Å; F418-V433 HydrophobicContact CZ-CG1 4.36Å; F418-V433 HydrophobicContact CZ-CG2 4.41Å; F418-V433 VanDerWaalsContact O-CG1 3.24Å; F418-V433 WeakPolarHBondContact O-CG1 3.37Å; L421-V433 HydrophobicContact CB-CG2 3.71Å; L421-V433 HydrophobicContact CD1-CG2 4.31Å; L422-V433 HydrophobicContact CD2-CB 4.07Å; L422-V433 HydrophobicContact CD2-CG1 3.55Å; L422-V433 HydrophobicContact CG-CG1 3.84Å; V429-V433 HydrophobicContact CG1-CG2 4.25Å; V429-V433 WeakPolarHBondContact O-CG2 3.46Å; V429-V433 PolarHBondContact O-N 3.05Å; V430-V433 PolarHBondContact O-N 3.1Å; Q431-V433 VanDerWaalsContact C-N 3.28Å; Q431-V433 PolarHBondContact O-N 3.45Å; V433-G436 PolarHBondContact O-N 3.45Å; V433-L437 HydrophobicContact CG1-CD1 4.07Å; V433-L437 HydrophobicContact CG1-CG 4.43Å; V433-L437 WeakPolarHBondContact O-CG 3.37Å; V433-L437 PolarHBondContact O-N 3.14Å |
| 434 | L | 97.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.6 | -45.8 | 176.4 | -75.5 | 176.8 | 0 | 0 | 0 | 112.1 | L422 V430 Q431 G436 L437 K438 I464 L467 I475 L478 A479 I482 | L422-L434 HydrophobicContact CD2-CD2 3.63Å; L422-L434 HydrophobicContact CD2-CG 3.77Å; V430-L434 HydrophobicContact CG1-CD1 4.29Å; V430-L434 PolarHBondContact O-N 3.47Å; Q431-L434 PolarHBondContact O-N 2.89Å; L434-G436 VanDerWaalsContact C-N 3.26Å; L434-G436 PolarHBondContact O-N 2.73Å; L434-L437 PolarHBondContact O-N 3.36Å; L434-K438 WeakPolarHBondContact O-CB 3.38Å; L434-K438 PolarHBondContact O-N 3.1Å; L434-I464 HydrophobicContact CD2-CG1 4.16Å; L434-I464 HydrophobicContact CD2-CG2 4.35Å; L434-L467 HydrophobicContact CD1-CD1 3.95Å; L434-L467 HydrophobicContact CD2-CD1 4.08Å; L434-L467 HydrophobicContact CG-CD1 4.17Å; L434-I475 HydrophobicContact CD1-CG2 3.87Å; L434-L478 HydrophobicContact CB-CD2 3.44Å; L434-L478 VanDerWaalsContact CB-CD2 3.44Å; L434-L478 HydrophobicContact CB-CG 4Å; L434-L478 HydrophobicContact CD1-CB 4.48Å; L434-L478 HydrophobicContact CD1-CD2 4.27Å; L434-L478 HydrophobicContact CD1-CG 4.44Å; L434-A479 HydrophobicContact CD1-CB 4.45Å; L434-I482 HydrophobicContact CB-CD1 4.44Å; L434-I482 HydrophobicContact CD2-CD1 3.98Å |
| 435 | D | 93.9 | Very high | 94.6 | Very high | 30 Ų | 30 | 33.3 Ų | 33.3 | 16% | 0.16 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.4 | -44.3 | 175.1 | -79.8 | -22.4 | 0 | 0 | 0 | 110.4 | R20 Q431 K438 N439 L478 | R20-D435 IonicContact CZ-OD2 3.25Å; R20-D435 IonicContact NH1-OD2 3.68Å; R20-D435 PolarHBondContact NH1-OD2 3.27Å; R20-D435 IonicContact NH2-OD2 2.91Å; R20-D435 PolarHBondContact NH2-OD2 2.91Å; Q431-D435 WeakPolarHBondContact O-CB 3.42Å; Q431-D435 PolarHBondContact O-N 3.46Å; D435-K438 PolarHBondContact O-N 3.42Å; D435-N439 VanDerWaalsContact O-CG 3.25Å; D435-N439 PolarHBondContact O-N 2.87Å; D435-N439 PolarHBondContact O-ND2 3.41Å; D435-L478 WeakPolarHBondContact OD1-CD2 3.4Å |
| 436 | G | 95.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.2 | -46.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V432 V433 L434 N439 I440 | V432-G436 PolarHBondContact O-N 3.34Å; V433-G436 PolarHBondContact O-N 3.45Å; L434-G436 VanDerWaalsContact C-N 3.26Å; L434-G436 PolarHBondContact O-N 2.73Å; G436-N439 PolarHBondContact O-N 3.36Å; G436-I440 WeakPolarHBondContact O-CG1 3.29Å; G436-I440 PolarHBondContact O-N 3.02Å |
| 437 | L | 97.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.5 | -43.7 | 177.1 | -72.1 | 172 | 0 | 0 | 0 | 111.7 | F418 L422 V433 L434 N439 I440 L441 I455 I464 | F418-L437 HydrophobicContact CD1-CD2 3.82Å; F418-L437 HydrophobicContact CD1-CG 3.94Å; F418-L437 HydrophobicContact CE1-CD2 4.48Å; F418-L437 HydrophobicContact CE1-CG 4.25Å; L422-L437 HydrophobicContact CD1-CD1 3.97Å; L422-L437 HydrophobicContact CD2-CD1 4.38Å; L422-L437 HydrophobicContact CG-CD1 4.49Å; V433-L437 HydrophobicContact CG1-CD1 4.07Å; V433-L437 HydrophobicContact CG1-CG 4.43Å; V433-L437 WeakPolarHBondContact O-CG 3.37Å; V433-L437 PolarHBondContact O-N 3.14Å; L434-L437 PolarHBondContact O-N 3.36Å; L437-N439 VanDerWaalsContact C-N 3.32Å; L437-N439 PolarHBondContact O-N 2.93Å; L437-I440 WeakPolarHBondContact O-CB 3.47Å; L437-I440 PolarHBondContact O-N 3.14Å; L437-L441 WeakPolarHBondContact O-CG 3.36Å; L437-L441 PolarHBondContact O-N 3.37Å; L437-I455 HydrophobicContact CD2-CD1 4.32Å; L437-I464 HydrophobicContact CD1-CD1 4.46Å |
| 438 | K | 96.9 | Very high | 94.4 | Very high | 36 Ų | 36 | 32.3 Ų | 32.3 | 16% | 0.157 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.9 | -45.1 | 174.7 | 179.6 | 175.5 | 177.9 | -178.4 | 0 | 111.5 | L434 D435 I440 L441 I442 L478 E481 I482 | L434-K438 WeakPolarHBondContact O-CB 3.38Å; L434-K438 PolarHBondContact O-N 3.1Å; D435-K438 PolarHBondContact O-N 3.42Å; K438-I440 VanDerWaalsContact C-N 3.33Å; K438-I440 PolarHBondContact O-N 3Å; K438-L441 PolarHBondContact O-N 2.93Å; K438-I442 HydrophobicContact CD-CD1 4.41Å; K438-I442 HydrophobicContact CG-CD1 3.76Å; K438-I442 HydrophobicContact CG-CG1 4.39Å; K438-I442 VanDerWaalsContact O-CG1 3.27Å; K438-I442 WeakPolarHBondContact O-CG1 3.44Å; K438-I442 PolarHBondContact O-N 3.35Å; K438-L478 HydrophobicContact CD-CD1 3.48Å; K438-L478 VanDerWaalsContact CD-CD1 3.48Å; K438-E481 WeakPolarHBondContact CE-OE1 3.38Å; K438-E481 IonicContact NZ-OE1 2.78Å; K438-E481 PolarHBondContact NZ-OE1 3.31Å; K438-E481 IonicContact NZ-OE2 3.64Å; K438-E481 PolarHBondContact NZ-OE2 2.97Å; K438-I482 HydrophobicContact CB-CD1 4.05Å; K438-I482 HydrophobicContact CB-CG1 4.1Å; K438-I482 HydrophobicContact CG-CG1 4.45Å |
| 439 | N | 95.3 | Very high | 94.6 | Very high | 40 Ų | 40 | 32.9 Ų | 32.9 | 21% | 0.214 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.6 | -37.7 | 177.7 | -70.2 | -25.3 | 0 | 0 | 0 | 112.3 | T398 I399 D435 G436 L437 I442 M443 | T398-N439 WeakPolarHBondContact OG1-CB 3.1Å; I399-N439 WeakPolarHBondContact CG1-ND2 3.38Å; D435-N439 VanDerWaalsContact O-CG 3.25Å; D435-N439 PolarHBondContact O-N 2.87Å; D435-N439 PolarHBondContact O-ND2 3.41Å; G436-N439 PolarHBondContact O-N 3.36Å; L437-N439 VanDerWaalsContact C-N 3.32Å; L437-N439 PolarHBondContact O-N 2.93Å; N439-I442 PolarHBondContact O-N 3.42Å; N439-M443 WeakPolarHBondContact O-CB 3.48Å; N439-M443 WeakPolarHBondContact O-CG 3.3Å; N439-M443 PolarHBondContact O-N 3.42Å |
| 440 | I | 97.4 | Very high | 94.7 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.2 | -49.3 | 174.3 | -65.7 | 167.2 | 0 | 0 | 0 | 110.1 | T398 V406 V410 V414 F418 G436 L437 K438 I442 M443 A444 I451 | T398-I440 HydrophobicContact CG2-CD1 4.15Å; T398-I440 HydrophobicContact CG2-CG1 3.74Å; V406-I440 HydrophobicContact CG1-CB 4.44Å; V406-I440 HydrophobicContact CG1-CG1 4.06Å; V406-I440 HydrophobicContact CG1-CG2 4.46Å; V410-I440 HydrophobicContact CG2-CG2 3.58Å; V414-I440 HydrophobicContact CG1-CD1 4.24Å; F418-I440 HydrophobicContact CD1-CD1 4.48Å; G436-I440 WeakPolarHBondContact O-CG1 3.29Å; G436-I440 PolarHBondContact O-N 3.02Å; L437-I440 WeakPolarHBondContact O-CB 3.47Å; L437-I440 PolarHBondContact O-N 3.14Å; K438-I440 VanDerWaalsContact C-N 3.33Å; K438-I440 PolarHBondContact O-N 3Å; I440-I442 PolarHBondContact O-N 3.27Å; I440-M443 PolarHBondContact O-N 3.49Å; I440-A444 PolarHBondContact O-N 3.02Å; I440-I451 HydrophobicContact CG2-CG2 3.86Å |
| 441 | L | 97 | Very high | 94.7 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.6 | -45.4 | 178.2 | -73.7 | 162.2 | 0 | 0 | 0 | 112.1 | L437 K438 M443 A444 I451 A452 I455 I482 Y486 | L437-L441 WeakPolarHBondContact O-CG 3.36Å; L437-L441 PolarHBondContact O-N 3.37Å; K438-L441 PolarHBondContact O-N 2.93Å; L441-M443 PolarHBondContact O-N 3.22Å; L441-A444 PolarHBondContact O-N 3.26Å; L441-I451 HydrophobicContact CD2-CB 3.92Å; L441-I451 HydrophobicContact CD2-CG2 3.62Å; L441-I451 HydrophobicContact CG-CG2 4.1Å; L441-A452 HydrophobicContact CD2-CB 4.44Å; L441-I455 HydrophobicContact CD1-CD1 4.12Å; L441-I455 HydrophobicContact CD2-CD1 4.22Å; L441-I455 HydrophobicContact CG-CD1 4.27Å; L441-I482 HydrophobicContact CD1-CG2 3.94Å; L441-Y486 HydrophobicContact CB-CD1 4.26Å; L441-Y486 HydrophobicContact CB-CD2 4.31Å; L441-Y486 HydrophobicContact CB-CE1 3.9Å; L441-Y486 HydrophobicContact CB-CE2 3.97Å; L441-Y486 HydrophobicContact CB-CG 4.46Å; L441-Y486 HydrophobicContact CD1-CD2 3.84Å; L441-Y486 HydrophobicContact CD1-CE2 4.19Å; L441-Y486 HydrophobicContact CD1-CG 4.12Å; L441-Y486 HydrophobicContact CD2-CD1 4.1Å; L441-Y486 HydrophobicContact CD2-CG 4.18Å; L441-Y486 HydrophobicContact CG-CG 4.5Å |
| 442 | I | 94.8 | Very high | 94.8 | Very high | 83 Ų | 83 | 35.7 Ų | 35.7 | 43% | 0.426 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.6 | -43.5 | 177.2 | -70.2 | 169.2 | 0 | 0 | 0 | 111.2 | K438 N439 I440 A444 G445 Y486 | K438-I442 HydrophobicContact CD-CD1 4.41Å; K438-I442 HydrophobicContact CG-CD1 3.76Å; K438-I442 HydrophobicContact CG-CG1 4.39Å; K438-I442 VanDerWaalsContact O-CG1 3.27Å; K438-I442 WeakPolarHBondContact O-CG1 3.44Å; K438-I442 PolarHBondContact O-N 3.35Å; N439-I442 PolarHBondContact O-N 3.42Å; I440-I442 PolarHBondContact O-N 3.27Å; I442-A444 VanDerWaalsContact C-N 3.34Å; I442-G445 PolarHBondContact O-N 3Å; I442-Y486 WeakPolarHBondContact CG1-OH 3.5Å |
| 443 | M | 93.9 | Very high | 94.9 | Very high | 64 Ų | 64 | 40.6 Ų | 40.6 | 32% | 0.315 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -72 | -28.1 | -177.4 | -72 | -68.4 | -179.5 | 0 | 0 | 113 | K403 V406 N439 I440 L441 G445 | K403-M443 WeakPolarHBondContact CD-O 3.23Å; K403-M443 VanDerWaalsContact CE-O 3.27Å; K403-M443 WeakPolarHBondContact CE-O 3.41Å; K403-M443 WeakPolarHBondContact CG-O 3.42Å; V406-M443 HydrophobicContact CB-CB 4.37Å; V406-M443 HydrophobicContact CG1-CB 4.13Å; V406-M443 HydrophobicContact CG2-CG 4.38Å; N439-M443 WeakPolarHBondContact O-CB 3.48Å; N439-M443 WeakPolarHBondContact O-CG 3.3Å; N439-M443 PolarHBondContact O-N 3.42Å; I440-M443 PolarHBondContact O-N 3.49Å; L441-M443 PolarHBondContact O-N 3.22Å; M443-G445 VanDerWaalsContact C-N 3.26Å; M443-G445 PolarHBondContact O-N 3.01Å |
| 444 | A | 92.6 | Very high | 94.9 | Very high | 11 Ų | 11 | 43 Ų | 43 | 9% | 0.091 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.9 | -35.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | K403 I440 L441 I442 D446 E447 A448 I451 | K403-A444 PolarHBondContact NZ-O 3.41Å; K403-A444 VanDerWaalsContact NZ-O 3.08Å; I440-A444 PolarHBondContact O-N 3.02Å; L441-A444 PolarHBondContact O-N 3.26Å; I442-A444 VanDerWaalsContact C-N 3.34Å; A444-D446 PolarHBondContact O-N 3.44Å; A444-E447 HydrophobicContact CB-CB 4.36Å; A444-E447 PolarHBondContact O-N 3Å; A444-A448 HydrophobicContact CB-CB 4.28Å; A444-I451 HydrophobicContact CB-CG1 3.67Å |
| 445 | G | 91.6 | Very high | 95 | Very high | 41 Ų | 41 | 43 Ų | 43 | 42% | 0.423 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | 62.3 | -117.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | I442 M443 E447 A448 | I442-G445 PolarHBondContact O-N 3Å; M443-G445 VanDerWaalsContact C-N 3.26Å; M443-G445 PolarHBondContact O-N 3.01Å; G445-E447 PolarHBondContact O-N 3.24Å; G445-E447 VanDerWaalsContact O-N 3.16Å; G445-A448 WeakPolarHBondContact O-CB 3.29Å; G445-A448 PolarHBondContact O-N 2.97Å |
| 446 | D | 89.9 | Confident | 95.1 | Very high | 163 Ų | 163 | 47.1 Ų | 47.1 | 87% | 0.872 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -61.7 | -22.4 | 179.7 | -58.1 | -27 | 0 | 0 | 0 | 113.4 | A444 A448 | A444-D446 PolarHBondContact O-N 3.44Å; D446-A448 VanDerWaalsContact C-N 3.32Å |
| 447 | E | 91.4 | Very high | 95.1 | Very high | 100 Ų | 100 | 55.1 Ų | 55.1 | 47% | 0.467 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -90.9 | 8.1 | 177.9 | -63.9 | 176.7 | 175.5 | 0 | 0 | 112.9 | A444 G445 S449 T450 I451 | A444-E447 HydrophobicContact CB-CB 4.36Å; A444-E447 PolarHBondContact O-N 3Å; G445-E447 PolarHBondContact O-N 3.24Å; G445-E447 VanDerWaalsContact O-N 3.16Å; E447-S449 PolarHBondContact O-N 3.14Å; E447-T450 PolarHBondContact O-N 3.12Å; E447-T450 VanDerWaalsContact O-N 3.12Å; E447-I451 PolarHBondContact O-N 3.2Å |
| 448 | A | 93.6 | Very high | 95.1 | Very high | 12 Ų | 12 | 56.9 Ų | 56.9 | 10% | 0.099 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.3 | -30.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A444 G445 D446 I451 A452 Y486 | A444-A448 HydrophobicContact CB-CB 4.28Å; G445-A448 WeakPolarHBondContact O-CB 3.29Å; G445-A448 PolarHBondContact O-N 2.97Å; D446-A448 VanDerWaalsContact C-N 3.32Å; A448-I451 PolarHBondContact O-N 2.76Å; A448-A452 WeakPolarHBondContact O-CB 3.41Å; A448-A452 PolarHBondContact O-N 3.03Å; A448-Y486 HydrophobicContact CB-CD1 4.05Å; A448-Y486 HydrophobicContact CB-CE1 3.94Å |
| 449 | S | 93.5 | Very high | 95 | Very high | 70 Ų | 70 | 56.4 Ų | 56.4 | 49% | 0.49 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 174.6 | 53.9 | 0 | 0 | 0 | 0 | 112 | E447 I451 A452 E453 | E447-S449 PolarHBondContact O-N 3.14Å; S449-I451 VanDerWaalsContact C-N 3.32Å; S449-I451 PolarHBondContact O-N 2.81Å; S449-A452 WeakPolarHBondContact O-CB 3.48Å; S449-A452 PolarHBondContact O-N 3.03Å; S449-E453 WeakPolarHBondContact O-CG 3.47Å; S449-E453 PolarHBondContact O-N 2.96Å |
| 450 | T | 94.9 | Very high | 95.1 | Very high | 71 Ų | 71 | 54.5 Ų | 54.5 | 44% | 0.436 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.6 | -38.6 | 176.2 | -55.3 | 0 | 0 | 0 | 0 | 111.6 | E447 I454 | E447-T450 PolarHBondContact O-N 3.12Å; E447-T450 VanDerWaalsContact O-N 3.12Å; T450-I454 HydrophobicContact CG2-CD1 4.42Å; T450-I454 WeakPolarHBondContact O-CD1 3.37Å; T450-I454 VanDerWaalsContact O-CG1 3.27Å; T450-I454 WeakPolarHBondContact O-CG1 3.39Å; T450-I454 PolarHBondContact O-N 3.41Å; T450-I454 VanDerWaalsContact O-N 3.12Å |
| 451 | I | 96.5 | Very high | 95.1 | Very high | 13 Ų | 13 | 55.6 Ų | 55.6 | 7% | 0.067 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.9 | -42.1 | 174.2 | -57.2 | -52.1 | 0 | 0 | 0 | 111.2 | V410 I415 I440 L441 A444 E447 A448 S449 I454 I455 | V410-I451 HydrophobicContact CB-CD1 4.35Å; V410-I451 HydrophobicContact CG1-CD1 3.56Å; V410-I451 HydrophobicContact CG2-CD1 4.01Å; I415-I451 HydrophobicContact CD1-CD1 4.3Å; I415-I451 HydrophobicContact CD1-CG2 3.92Å; I440-I451 HydrophobicContact CG2-CG2 3.86Å; L441-I451 HydrophobicContact CD2-CB 3.92Å; L441-I451 HydrophobicContact CD2-CG2 3.62Å; L441-I451 HydrophobicContact CG-CG2 4.1Å; A444-I451 HydrophobicContact CB-CG1 3.67Å; E447-I451 PolarHBondContact O-N 3.2Å; A448-I451 PolarHBondContact O-N 2.76Å; S449-I451 VanDerWaalsContact C-N 3.32Å; S449-I451 PolarHBondContact O-N 2.81Å; I451-I454 HydrophobicContact CD1-CD1 4.47Å; I451-I454 PolarHBondContact O-N 2.81Å; I451-I455 HydrophobicContact CG2-CD1 4.07Å; I451-I455 WeakPolarHBondContact O-CG1 3.36Å; I451-I455 PolarHBondContact O-N 3.49Å |
| 452 | A | 96.5 | Very high | 95.1 | Very high | 8 Ų | 8 | 61.7 Ų | 61.7 | 7% | 0.066 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.3 | -44.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L441 A448 S449 I454 I455 E456 F487 | L441-A452 HydrophobicContact CD2-CB 4.44Å; A448-A452 WeakPolarHBondContact O-CB 3.41Å; A448-A452 PolarHBondContact O-N 3.03Å; S449-A452 WeakPolarHBondContact O-CB 3.48Å; S449-A452 PolarHBondContact O-N 3.03Å; A452-I454 PolarHBondContact O-N 3.21Å; A452-I455 WeakPolarHBondContact O-CB 3.33Å; A452-I455 PolarHBondContact O-N 3.48Å; A452-I455 VanDerWaalsContact O-N 3.14Å; A452-E456 PolarHBondContact O-N 3.43Å; A452-F487 HydrophobicContact CB-CD1 4.3Å; A452-F487 HydrophobicContact CB-CE1 3.65Å; A452-F487 HydrophobicContact CB-CZ 3.78Å; A452-F487 WeakPolarHBondContact O-CE1 3.15Å |
| 453 | E | 95.9 | Very high | 95.3 | Very high | 107 Ų | 107 | 59.5 Ų | 59.5 | 50% | 0.5 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -56.1 | -46.7 | 173.1 | -72.9 | 169.3 | -169.8 | 0 | 0 | 111.5 | S449 I455 E456 E457 | S449-E453 WeakPolarHBondContact O-CG 3.47Å; S449-E453 PolarHBondContact O-N 2.96Å; E453-I455 VanDerWaalsContact C-N 3.32Å; E453-I455 PolarHBondContact O-N 2.89Å; E453-E456 PolarHBondContact O-N 2.97Å; E453-E457 WeakPolarHBondContact O-CB 3.43Å; E453-E457 WeakPolarHBondContact O-CG 3.25Å; E453-E457 PolarHBondContact O-N 3.29Å |
| 454 | I | 97.1 | Very high | 95.4 | Very high | 51 Ų | 51 | 56.5 Ų | 56.5 | 26% | 0.262 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.5 | -40.1 | 177.5 | -63.2 | 162.4 | 0 | 0 | 0 | 111.4 | V410 I415 T450 I451 A452 E456 C458 | V410-I454 HydrophobicContact CG1-CD1 4.47Å; I415-I454 HydrophobicContact CB-CG2 3.98Å; I415-I454 HydrophobicContact CD1-CB 4.13Å; I415-I454 HydrophobicContact CD1-CD1 4.3Å; I415-I454 HydrophobicContact CD1-CG2 3.8Å; I415-I454 HydrophobicContact CG1-CG2 4.5Å; I415-I454 HydrophobicContact CG2-CG2 3.93Å; T450-I454 HydrophobicContact CG2-CD1 4.42Å; T450-I454 WeakPolarHBondContact O-CD1 3.37Å; T450-I454 VanDerWaalsContact O-CG1 3.27Å; T450-I454 WeakPolarHBondContact O-CG1 3.39Å; T450-I454 PolarHBondContact O-N 3.41Å; T450-I454 VanDerWaalsContact O-N 3.12Å; I451-I454 HydrophobicContact CD1-CD1 4.47Å; I451-I454 PolarHBondContact O-N 2.81Å; A452-I454 PolarHBondContact O-N 3.21Å; I454-E456 VanDerWaalsContact C-N 3.34Å; I454-C458 WeakPolarHBondContact O-CB 3.38Å; I454-C458 PolarHBondContact O-N 2.92Å; I454-C458 PolarHBondContact O-SG 3.33Å; I454-C458 VanDerWaalsContact O-SG 3.36Å |
| 455 | I | 97.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.9 | -43.5 | 176 | -70.2 | 168.7 | 0 | 0 | 0 | 110 | I415 L437 L441 I451 A452 E453 C458 G460 I464 F487 | I415-I455 HydrophobicContact CG2-CB 4.49Å; I415-I455 HydrophobicContact CG2-CG1 3.59Å; L437-I455 HydrophobicContact CD2-CD1 4.32Å; L441-I455 HydrophobicContact CD1-CD1 4.12Å; L441-I455 HydrophobicContact CD2-CD1 4.22Å; L441-I455 HydrophobicContact CG-CD1 4.27Å; I451-I455 HydrophobicContact CG2-CD1 4.07Å; I451-I455 WeakPolarHBondContact O-CG1 3.36Å; I451-I455 PolarHBondContact O-N 3.49Å; A452-I455 WeakPolarHBondContact O-CB 3.33Å; A452-I455 PolarHBondContact O-N 3.48Å; A452-I455 VanDerWaalsContact O-N 3.14Å; E453-I455 VanDerWaalsContact C-N 3.32Å; E453-I455 PolarHBondContact O-N 2.89Å; I455-C458 PolarHBondContact O-SG 3.3Å; I455-G460 VanDerWaalsContact O-CA 3.25Å; I455-G460 WeakPolarHBondContact O-CA 3.4Å; I455-G460 PolarHBondContact O-N 3.28Å; I455-I464 HydrophobicContact CG2-CD1 4.08Å; I455-F487 HydrophobicContact CB-CZ 4.02Å; I455-F487 HydrophobicContact CD1-CZ 4.31Å; I455-F487 HydrophobicContact CG2-CE1 4.43Å; I455-F487 HydrophobicContact CG2-CZ 3.81Å |
| 456 | E | 96.7 | Very high | 95.9 | Very high | 116 Ų | 116 | 62.7 Ų | 62.7 | 54% | 0.542 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.1 | -50.2 | 177.9 | -170.9 | 176 | 176.2 | 0 | 0 | 112 | A452 E453 I454 C458 G459 L461 | A452-E456 PolarHBondContact O-N 3.43Å; E453-E456 PolarHBondContact O-N 2.97Å; I454-E456 VanDerWaalsContact C-N 3.34Å; E456-C458 PolarHBondContact O-N 3.4Å; E456-G459 PolarHBondContact O-N 2.88Å; E456-L461 HydrophobicContact CB-CB 4.5Å; E456-L461 HydrophobicContact CG-CB 4.49Å; E456-L461 HydrophobicContact CG-CD2 4.14Å |
| 457 | E | 96.5 | Very high | 96.2 | Very high | 167 Ų | 167 | 55.6 Ų | 55.6 | 78% | 0.78 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -58.6 | -33.5 | -179.2 | -75.5 | -173.8 | 167.2 | 0 | 0 | 113 | E453 G459 | E453-E457 WeakPolarHBondContact O-CB 3.43Å; E453-E457 WeakPolarHBondContact O-CG 3.25Å; E453-E457 PolarHBondContact O-N 3.29Å; E457-G459 VanDerWaalsContact C-N 3.26Å; E457-G459 PolarHBondContact O-N 3.33Å |
| 458 | C | 96.2 | Very high | 96.3 | Very high | 39 Ų | 39 | 54 Ų | 54 | 26% | 0.264 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 3.2 | 177.7 | 82 | 0 | 0 | 0 | 0 | 114.1 | P416 I454 I455 E456 G460 | P416-C458 HydrophobicContact CB-CB 4.03Å; P416-C458 HydrophobicContact CG-CB 4.03Å; I454-C458 WeakPolarHBondContact O-CB 3.38Å; I454-C458 PolarHBondContact O-N 2.92Å; I454-C458 PolarHBondContact O-SG 3.33Å; I454-C458 VanDerWaalsContact O-SG 3.36Å; I455-C458 PolarHBondContact O-SG 3.3Å; E456-C458 PolarHBondContact O-N 3.4Å; C458-G460 VanDerWaalsContact C-N 3.28Å |
| 459 | G | 96.8 | Very high | 96.3 | Very high | 26 Ų | 26 | 61.6 Ų | 61.6 | 27% | 0.268 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 23.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E456 E457 K463 | E456-G459 PolarHBondContact O-N 2.88Å; E457-G459 VanDerWaalsContact C-N 3.26Å; E457-G459 PolarHBondContact O-N 3.33Å; G459-K463 WeakPolarHBondContact O-CG 3.5Å |
| 460 | G | 97.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -72.4 | -38.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I455 C458 E462 K463 I464 | I455-G460 VanDerWaalsContact O-CA 3.25Å; I455-G460 WeakPolarHBondContact O-CA 3.4Å; I455-G460 PolarHBondContact O-N 3.28Å; C458-G460 VanDerWaalsContact C-N 3.28Å; G460-E462 PolarHBondContact O-N 3.02Å; G460-K463 WeakPolarHBondContact O-CB 3.3Å; G460-K463 PolarHBondContact O-N 3.43Å; G460-K463 VanDerWaalsContact O-N 3.11Å; G460-I464 WeakPolarHBondContact O-CG1 3.49Å; G460-I464 PolarHBondContact O-N 3.31Å |
| 461 | L | 97.1 | Very high | 96.3 | Very high | 24 Ų | 24 | 66.7 Ų | 66.7 | 13% | 0.126 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57.5 | -51.2 | 179.2 | 178.5 | 56.7 | 0 | 0 | 0 | 111.8 | E456 K463 I464 E465 I483 F487 | E456-L461 HydrophobicContact CB-CB 4.5Å; E456-L461 HydrophobicContact CG-CB 4.49Å; E456-L461 HydrophobicContact CG-CD2 4.14Å; L461-K463 PolarHBondContact O-N 3.12Å; L461-K463 VanDerWaalsContact O-N 3.16Å; L461-I464 CarbonylContact O-C 3.46Å; L461-I464 WeakPolarHBondContact O-CA 3.14Å; L461-I464 PolarHBondContact O-N 2.62Å; L461-E465 HydrophobicContact CD1-CG 4.21Å; L461-E465 HydrophobicContact CG-CG 4.44Å; L461-E465 WeakPolarHBondContact O-CG 3.32Å; L461-E465 PolarHBondContact O-N 3.46Å; L461-I483 HydrophobicContact CD1-CG1 4.33Å; L461-F487 HydrophobicContact CB-CE1 4.45Å; L461-F487 HydrophobicContact CD1-CB 3.93Å; L461-F487 HydrophobicContact CD1-CD1 3.71Å; L461-F487 HydrophobicContact CD1-CD2 3.96Å; L461-F487 HydrophobicContact CD1-CE1 4.14Å; L461-F487 HydrophobicContact CD1-CE2 4.39Å; L461-F487 HydrophobicContact CD1-CG 3.59Å; L461-F487 HydrophobicContact CD1-CZ 4.47Å; L461-F487 HydrophobicContact CD2-CD1 3.78Å; L461-F487 HydrophobicContact CD2-CE1 4.32Å; L461-F487 HydrophobicContact CD2-CG 4.34Å; L461-F487 HydrophobicContact CG-CD1 4.23Å |
| 462 | E | 97.1 | Very high | 96.1 | Very high | 129 Ų | 129 | 68.6 Ų | 68.6 | 60% | 0.603 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -54.6 | -38.5 | 176.4 | -173.9 | -169.6 | 172.1 | 0 | 0 | 111.7 | G460 N466 | G460-E462 PolarHBondContact O-N 3.02Å; E462-N466 WeakPolarHBondContact O-CB 3.5Å; E462-N466 VanDerWaalsContact O-CG 3.27Å; E462-N466 PolarHBondContact O-N 3.3Å; E462-N466 PolarHBondContact O-ND2 2.98Å |
| 463 | K | 97.8 | Very high | 96 | Very high | 37 Ų | 37 | 74.2 Ų | 74.2 | 16% | 0.161 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -69.1 | -39 | 177.3 | -64.3 | 171.3 | -173.8 | 162.6 | 0 | 111.6 | C419 N420 L422 G459 G460 L461 L467 | C419-K463 WeakPolarHBondContact O-CD 3.19Å; C419-K463 PolarHBondContact O-NZ 2.77Å; N420-K463 PolarHBondContact OD1-NZ 3.47Å; L422-K463 HydrophobicContact CB-CB 3.89Å; L422-K463 HydrophobicContact CB-CD 4.34Å; L422-K463 HydrophobicContact CD1-CB 4Å; G459-K463 WeakPolarHBondContact O-CG 3.5Å; G460-K463 WeakPolarHBondContact O-CB 3.3Å; G460-K463 PolarHBondContact O-N 3.43Å; G460-K463 VanDerWaalsContact O-N 3.11Å; L461-K463 PolarHBondContact O-N 3.12Å; L461-K463 VanDerWaalsContact O-N 3.16Å; K463-L467 WeakPolarHBondContact O-CG 3.39Å; K463-L467 PolarHBondContact O-N 3.03Å |
| 464 | I | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -67 | -41.7 | 176.1 | -61 | 168.7 | 0 | 0 | 0 | 110.1 | L422 L434 L437 I455 G460 L461 N466 L467 A479 I482 I483 | L422-I464 HydrophobicContact CD1-CD1 4.41Å; L422-I464 HydrophobicContact CD1-CG1 3.67Å; L434-I464 HydrophobicContact CD2-CG1 4.16Å; L434-I464 HydrophobicContact CD2-CG2 4.35Å; L437-I464 HydrophobicContact CD1-CD1 4.46Å; I455-I464 HydrophobicContact CG2-CD1 4.08Å; G460-I464 WeakPolarHBondContact O-CG1 3.49Å; G460-I464 PolarHBondContact O-N 3.31Å; L461-I464 CarbonylContact O-C 3.46Å; L461-I464 WeakPolarHBondContact O-CA 3.14Å; L461-I464 PolarHBondContact O-N 2.62Å; I464-N466 PolarHBondContact O-N 3.33Å; I464-L467 WeakPolarHBondContact O-CB 3.43Å; I464-L467 PolarHBondContact O-N 2.92Å; I464-A479 HydrophobicContact CG2-CB 3.93Å; I464-I482 HydrophobicContact CD1-CG2 4.24Å; I464-I482 HydrophobicContact CG2-CG2 4.48Å; I464-I483 HydrophobicContact CG2-CD1 3.92Å; I464-I483 HydrophobicContact CG2-CG1 3.9Å |
| 465 | E | 96.7 | Very high | 95.7 | Very high | 91 Ų | 91 | 71.1 Ų | 71.1 | 43% | 0.425 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 175.4 | -70.1 | 176.8 | 149.9 | 0 | 0 | 111.9 | L461 L467 Q468 I483 | L461-E465 HydrophobicContact CD1-CG 4.21Å; L461-E465 HydrophobicContact CG-CG 4.44Å; L461-E465 WeakPolarHBondContact O-CG 3.32Å; L461-E465 PolarHBondContact O-N 3.46Å; E465-L467 PolarHBondContact O-N 3.43Å; E465-Q468 VanDerWaalsContact O-CB 3.24Å; E465-Q468 WeakPolarHBondContact O-CB 3.48Å; E465-Q468 WeakPolarHBondContact O-CG 3.41Å; E465-Q468 PolarHBondContact O-N 3.28Å; E465-I483 HydrophobicContact CB-CD1 4.37Å; E465-I483 HydrophobicContact CG-CD1 3.81Å |
| 466 | N | 96.6 | Very high | 95.5 | Very high | 92 Ų | 92 | 75.7 Ų | 75.7 | 49% | 0.492 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -58.5 | -31 | 175.3 | -77.2 | -49.5 | 0 | 0 | 0 | 112.6 | E462 I464 Q468 Q469 | E462-N466 WeakPolarHBondContact O-CB 3.5Å; E462-N466 VanDerWaalsContact O-CG 3.27Å; E462-N466 PolarHBondContact O-N 3.3Å; E462-N466 PolarHBondContact O-ND2 2.98Å; I464-N466 PolarHBondContact O-N 3.33Å; N466-Q468 PolarHBondContact O-N 3.18Å; N466-Q469 PolarHBondContact O-N 3.32Å |
| 467 | L | 96.6 | Very high | 95.4 | Very high | 13 Ų | 13 | 75 Ų | 75 | 7% | 0.068 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -72.3 | -10.7 | 177 | -66.3 | 171.9 | 0 | 0 | 0 | 113.3 | L422 V430 L434 K463 I464 E465 Q469 H470 I475 A479 | L422-L467 HydrophobicContact CB-CD1 4.22Å; L422-L467 HydrophobicContact CD2-CD1 3.87Å; V430-L467 HydrophobicContact CG1-CD1 3.53Å; V430-L467 HydrophobicContact CG1-CD2 3.72Å; V430-L467 HydrophobicContact CG1-CG 4.28Å; L434-L467 HydrophobicContact CD1-CD1 3.95Å; L434-L467 HydrophobicContact CD2-CD1 4.08Å; L434-L467 HydrophobicContact CG-CD1 4.17Å; K463-L467 WeakPolarHBondContact O-CG 3.39Å; K463-L467 PolarHBondContact O-N 3.03Å; I464-L467 WeakPolarHBondContact O-CB 3.43Å; I464-L467 PolarHBondContact O-N 2.92Å; E465-L467 PolarHBondContact O-N 3.43Å; L467-Q469 PolarHBondContact O-N 3.3Å; L467-H470 HydrophobicContact CD2-CB 4.35Å; L467-H470 WeakPolarHBondContact O-CB 3.46Å; L467-H470 PolarHBondContact O-N 3.43Å; L467-H470 VanDerWaalsContact O-N 3.08Å; L467-I475 HydrophobicContact CB-CG2 4.11Å; L467-I475 HydrophobicContact CD1-CG2 4.48Å; L467-I475 HydrophobicContact CD2-CG2 4.1Å; L467-I475 HydrophobicContact CG-CG2 4.46Å; L467-A479 HydrophobicContact CB-CB 3.94Å |
| 468 | Q | 94.4 | Very high | 95.4 | Very high | 68 Ų | 68 | 67.8 Ų | 67.8 | 32% | 0.318 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -66.9 | -12.8 | 169.4 | -63.5 | -173.4 | -33.5 | 0 | 0 | 113 | E465 N466 Y476 A479 I483 | E465-Q468 VanDerWaalsContact O-CB 3.24Å; E465-Q468 WeakPolarHBondContact O-CB 3.48Å; E465-Q468 WeakPolarHBondContact O-CG 3.41Å; E465-Q468 PolarHBondContact O-N 3.28Å; N466-Q468 PolarHBondContact O-N 3.18Å; Q468-Y476 HydrophobicContact CB-CD2 4.29Å; Q468-Y476 HydrophobicContact CB-CE2 4.4Å; Q468-Y476 WeakPolarHBondContact O-CD2 3.38Å; Q468-A479 HydrophobicContact CG-CB 4.46Å; Q468-I483 HydrophobicContact CG-CD1 3.97Å |
| 469 | Q | 93.3 | Very high | 95.4 | Very high | 170 Ų | 170 | 66 Ų | 66 | 79% | 0.794 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -102.1 | 6.9 | 174.6 | -58.1 | 179.3 | 14.8 | 0 | 0 | 112.5 | N466 L467 | N466-Q469 PolarHBondContact O-N 3.32Å; L467-Q469 PolarHBondContact O-N 3.3Å |
| 470 | H | 94.9 | Very high | 95.4 | Very high | 51 Ų | 51 | 69.1 Ų | 69.1 | 24% | 0.236 | 33% | 0.325 | C | S | . | . | trans | -71.7 | 139.3 | -174.8 | -168.4 | -80.7 | 0 | 0 | 0 | 111.7 | S427 L467 N472 I475 | S427-H470 PolarHBondContact OG-CE1 2.82Å; S427-H470 PolarHBondContact OG-NE2 3.43Å; L467-H470 HydrophobicContact CD2-CB 4.35Å; L467-H470 WeakPolarHBondContact O-CB 3.46Å; L467-H470 PolarHBondContact O-N 3.43Å; L467-H470 VanDerWaalsContact O-N 3.08Å; H470-N472 VanDerWaalsContact C-N 3.27Å; H470-N472 VanDerWaalsContact CE1-CB 3.48Å; H470-N472 WeakPolarHBondContact CE1-CB 3.39Å; H470-N472 VanDerWaalsContact ND1-CB 3.33Å; H470-N472 WeakPolarHBondContact ND1-CB 3.38Å; H470-N472 PolarHBondContact ND1-N 2.93Å; H470-N472 PolarHBondContact O-N 3.49Å; H470-I475 HydrophobicContact CB-CG2 3.91Å | ||
| 471 | E | 93.4 | Very high | 95.3 | Very high | 197 Ų | 197 | 72.9 Ų | 72.9 | 92% | 0.921 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -64.6 | -29.1 | -176.2 | -62 | -178.4 | 171.8 | 0 | 0 | 113.6 | E473 | E471-E473 PolarHBondContact O-N 2.99Š|
| 472 | N | 92.1 | Very high | 95.2 | Very high | 53 Ų | 53 | 71.8 Ų | 71.8 | 28% | 0.283 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -76.8 | 114.3 | 173.9 | -174.4 | -37.8 | 0 | 0 | 0 | 110.7 | H470 D474 I475 Y476 | H470-N472 VanDerWaalsContact C-N 3.27Å; H470-N472 VanDerWaalsContact CE1-CB 3.48Å; H470-N472 WeakPolarHBondContact CE1-CB 3.39Å; H470-N472 VanDerWaalsContact ND1-CB 3.33Å; H470-N472 WeakPolarHBondContact ND1-CB 3.38Å; H470-N472 PolarHBondContact ND1-N 2.93Å; H470-N472 PolarHBondContact O-N 3.49Å; N472-D474 VanDerWaalsContact C-N 3.28Å; N472-D474 PolarHBondContact O-N 2.98Å; N472-D474 WeakPolarHBondContact OD1-CB 3.33Å; N472-D474 PolarHBondContact OD1-N 2.96Å; N472-I475 HydrophobicContact CB-CB 4.33Å; N472-I475 HydrophobicContact CB-CD1 4.05Å; N472-I475 HydrophobicContact CB-CG1 4.27Å; N472-I475 PolarHBondContact O-N 3.38Å; N472-Y476 PolarHBondContact O-N 3.46Å; N472-Y476 VanDerWaalsContact O-N 3.09Å |
| 473 | E | 93.2 | Very high | 95.2 | Very high | 126 Ų | 126 | 66.7 Ų | 66.7 | 59% | 0.589 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -57.5 | -34.1 | -179.7 | -69.9 | -169.9 | -167.8 | 0 | 0 | 114.5 | E471 Y476 K477 | E471-E473 PolarHBondContact O-N 2.99Å; E473-Y476 PolarHBondContact O-N 3.23Å; E473-K477 WeakPolarHBondContact O-CB 3.49Å; E473-K477 WeakPolarHBondContact O-CD 3.46Å; E473-K477 VanDerWaalsContact O-CG 3.22Å; E473-K477 WeakPolarHBondContact O-CG 3.35Å; E473-K477 PolarHBondContact O-N 3.13Å; E473-K477 IonicContact OE2-NZ 2.65Å; E473-K477 PolarHBondContact OE2-NZ 2.92Å |
| 474 | D | 92.1 | Very high | 95 | Very high | 93 Ų | 93 | 69.8 Ų | 69.8 | 50% | 0.497 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -70.1 | -38.2 | -178.3 | -66.2 | -26.5 | 0 | 0 | 0 | 110.8 | N472 L478 | N472-D474 VanDerWaalsContact C-N 3.28Å; N472-D474 PolarHBondContact O-N 2.98Å; N472-D474 WeakPolarHBondContact OD1-CB 3.33Å; N472-D474 PolarHBondContact OD1-N 2.96Å; D474-L478 VanDerWaalsContact O-CB 3.27Å; D474-L478 WeakPolarHBondContact O-CB 3.18Å; D474-L478 PolarHBondContact O-N 3.07Å |
| 475 | I | 95.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66.8 | -45.5 | 175 | -68.8 | 175.5 | 0 | 0 | 0 | 110.1 | S427 V430 Q431 L434 L467 H470 N472 L478 A479 | S427-I475 WeakPolarHBondContact O-CD1 3.5Å; V430-I475 HydrophobicContact CB-CD1 4.23Å; V430-I475 HydrophobicContact CG1-CD1 4.15Å; V430-I475 HydrophobicContact CG1-CG2 4.02Å; Q431-I475 HydrophobicContact CB-CD1 4.38Å; Q431-I475 HydrophobicContact CB-CG1 4.13Å; L434-I475 HydrophobicContact CD1-CG2 3.87Å; L467-I475 HydrophobicContact CB-CG2 4.11Å; L467-I475 HydrophobicContact CD1-CG2 4.48Å; L467-I475 HydrophobicContact CD2-CG2 4.1Å; L467-I475 HydrophobicContact CG-CG2 4.46Å; H470-I475 HydrophobicContact CB-CG2 3.91Å; N472-I475 HydrophobicContact CB-CB 4.33Å; N472-I475 HydrophobicContact CB-CD1 4.05Å; N472-I475 HydrophobicContact CB-CG1 4.27Å; N472-I475 PolarHBondContact O-N 3.38Å; I475-L478 PolarHBondContact O-N 3.27Å; I475-A479 WeakPolarHBondContact O-CB 3.37Å; I475-A479 PolarHBondContact O-N 3.35Å |
| 476 | Y | 94.6 | Very high | 94.8 | Very high | 98 Ų | 98 | 72.9 Ų | 72.9 | 38% | 0.384 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -55 | -53 | 174.7 | 159.9 | -108.1 | 0 | 0 | 0 | 111.8 | Q468 N472 E473 L478 A479 F480 | Q468-Y476 HydrophobicContact CB-CD2 4.29Å; Q468-Y476 HydrophobicContact CB-CE2 4.4Å; Q468-Y476 WeakPolarHBondContact O-CD2 3.38Å; N472-Y476 PolarHBondContact O-N 3.46Å; N472-Y476 VanDerWaalsContact O-N 3.09Å; E473-Y476 PolarHBondContact O-N 3.23Å; Y476-L478 VanDerWaalsContact C-N 3.32Å; Y476-L478 PolarHBondContact O-N 2.94Å; Y476-A479 PolarHBondContact O-N 3.25Å; Y476-F480 WeakPolarHBondContact O-CB 3.46Å; Y476-F480 PolarHBondContact O-N 3Å |
| 477 | K | 95.1 | Very high | 94.6 | Very high | 102 Ų | 102 | 70.4 Ų | 70.4 | 44% | 0.443 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.7 | -42.8 | -178.2 | -74.3 | 165.9 | -168.4 | 156.7 | 0 | 111.6 | E473 F480 E481 | E473-K477 WeakPolarHBondContact O-CB 3.49Å; E473-K477 WeakPolarHBondContact O-CD 3.46Å; E473-K477 VanDerWaalsContact O-CG 3.22Å; E473-K477 WeakPolarHBondContact O-CG 3.35Å; E473-K477 PolarHBondContact O-N 3.13Å; E473-K477 IonicContact OE2-NZ 2.65Å; E473-K477 PolarHBondContact OE2-NZ 2.92Å; K477-F480 PolarHBondContact O-N 3.33Å; K477-E481 WeakPolarHBondContact O-CB 3.48Å; K477-E481 PolarHBondContact O-N 2.96Å |
| 478 | L | 94.9 | Very high | 93.8 | Very high | 15 Ų | 15 | 72.9 Ų | 72.9 | 8% | 0.079 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68.8 | -41.2 | -179.3 | -174.3 | 60.2 | 0 | 0 | 0 | 112.3 | L434 D435 K438 D474 I475 Y476 E481 I482 | L434-L478 HydrophobicContact CB-CD2 3.44Å; L434-L478 VanDerWaalsContact CB-CD2 3.44Å; L434-L478 HydrophobicContact CB-CG 4Å; L434-L478 HydrophobicContact CD1-CB 4.48Å; L434-L478 HydrophobicContact CD1-CD2 4.27Å; L434-L478 HydrophobicContact CD1-CG 4.44Å; D435-L478 WeakPolarHBondContact OD1-CD2 3.4Å; K438-L478 HydrophobicContact CD-CD1 3.48Å; K438-L478 VanDerWaalsContact CD-CD1 3.48Å; D474-L478 VanDerWaalsContact O-CB 3.27Å; D474-L478 WeakPolarHBondContact O-CB 3.18Å; D474-L478 PolarHBondContact O-N 3.07Å; I475-L478 PolarHBondContact O-N 3.27Å; Y476-L478 VanDerWaalsContact C-N 3.32Å; Y476-L478 PolarHBondContact O-N 2.94Å; L478-E481 PolarHBondContact O-N 3.48Å; L478-I482 HydrophobicContact CG-CD1 4.29Å; L478-I482 WeakPolarHBondContact O-CG1 3.38Å; L478-I482 PolarHBondContact O-N 3.45Å |
| 479 | A | 97.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L434 I464 L467 Q468 I475 Y476 I482 I483 | L434-A479 HydrophobicContact CD1-CB 4.45Å; I464-A479 HydrophobicContact CG2-CB 3.93Å; L467-A479 HydrophobicContact CB-CB 3.94Å; Q468-A479 HydrophobicContact CG-CB 4.46Å; I475-A479 WeakPolarHBondContact O-CB 3.37Å; I475-A479 PolarHBondContact O-N 3.35Å; Y476-A479 PolarHBondContact O-N 3.25Å; A479-I482 PolarHBondContact O-N 3.49Å; A479-I483 WeakPolarHBondContact O-CG1 3.39Å; A479-I483 PolarHBondContact O-N 3.21Å; A479-I483 VanDerWaalsContact O-N 3.11Å |
| 480 | F | 95.8 | Very high | 90.4 | Very high | 92 Ų | 92 | 72.2 Ų | 72.2 | 40% | 0.404 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.8 | -48.5 | 174.6 | 179.9 | -89.5 | 0 | 0 | 0 | 111.9 | Y476 K477 I482 I483 D484 | Y476-F480 WeakPolarHBondContact O-CB 3.46Å; Y476-F480 PolarHBondContact O-N 3Å; K477-F480 PolarHBondContact O-N 3.33Å; F480-I482 PolarHBondContact O-N 2.94Å; F480-I483 PolarHBondContact O-N 3.02Å; F480-D484 HydrophobicContact CE1-CB 4.15Å; F480-D484 HydrophobicContact CZ-CB 4.49Å; F480-D484 VanDerWaalsContact O-CB 3.32Å; F480-D484 WeakPolarHBondContact O-CB 3.46Å; F480-D484 PolarHBondContact O-N 3.05Å |
| 481 | E | 95.7 | Very high | 88.1 | Confident | 80 Ų | 80 | 77.1 Ų | 77.1 | 37% | 0.374 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.9 | -41.3 | 179.7 | -172.5 | -175 | 177 | 0 | 0 | 112.5 | K438 K477 L478 Q485 | K438-E481 WeakPolarHBondContact CE-OE1 3.38Å; K438-E481 IonicContact NZ-OE1 2.78Å; K438-E481 PolarHBondContact NZ-OE1 3.31Å; K438-E481 IonicContact NZ-OE2 3.64Å; K438-E481 PolarHBondContact NZ-OE2 2.97Å; K477-E481 WeakPolarHBondContact O-CB 3.48Å; K477-E481 PolarHBondContact O-N 2.96Å; L478-E481 PolarHBondContact O-N 3.48Å; E481-Q485 VanDerWaalsContact O-CB 3.26Å; E481-Q485 WeakPolarHBondContact O-CB 3.43Å; E481-Q485 PolarHBondContact O-N 3.25Å |
| 482 | I | 96 | Very high | 85.8 | Confident | 1 Ų | 1 | 73.9 Ų | 73.9 | 1% | 0.005 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 177.1 | -68.4 | 165.6 | 0 | 0 | 0 | 110.7 | L434 K438 L441 I464 L478 A479 F480 Y486 F487 | L434-I482 HydrophobicContact CB-CD1 4.44Å; L434-I482 HydrophobicContact CD2-CD1 3.98Å; K438-I482 HydrophobicContact CB-CD1 4.05Å; K438-I482 HydrophobicContact CB-CG1 4.1Å; K438-I482 HydrophobicContact CG-CG1 4.45Å; L441-I482 HydrophobicContact CD1-CG2 3.94Å; I464-I482 HydrophobicContact CD1-CG2 4.24Å; I464-I482 HydrophobicContact CG2-CG2 4.48Å; L478-I482 HydrophobicContact CG-CD1 4.29Å; L478-I482 WeakPolarHBondContact O-CG1 3.38Å; L478-I482 PolarHBondContact O-N 3.45Å; A479-I482 PolarHBondContact O-N 3.49Å; F480-I482 PolarHBondContact O-N 2.94Å; I482-Y486 WeakPolarHBondContact O-CD2 3.48Å; I482-Y486 PolarHBondContact O-N 2.75Å; I482-Y486 VanDerWaalsContact O-N 3.14Å; I482-F487 HydrophobicContact CG2-CD2 4.32Å; I482-F487 HydrophobicContact CG2-CE2 3.93Å |
| 483 | I | 96.1 | Very high | 83.4 | Confident | 22 Ų | 22 | 79 Ų | 79 | 11% | 0.113 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -65.4 | -50.8 | 179.1 | -68.9 | 163.5 | 0 | 0 | 0 | 110.7 | L461 I464 E465 Q468 A479 F480 Q485 Y486 F487 S488 | L461-I483 HydrophobicContact CD1-CG1 4.33Å; I464-I483 HydrophobicContact CG2-CD1 3.92Å; I464-I483 HydrophobicContact CG2-CG1 3.9Å; E465-I483 HydrophobicContact CB-CD1 4.37Å; E465-I483 HydrophobicContact CG-CD1 3.81Å; Q468-I483 HydrophobicContact CG-CD1 3.97Å; A479-I483 WeakPolarHBondContact O-CG1 3.39Å; A479-I483 PolarHBondContact O-N 3.21Å; A479-I483 VanDerWaalsContact O-N 3.11Å; F480-I483 PolarHBondContact O-N 3.02Å; I483-Q485 PolarHBondContact O-N 3.32Å; I483-Y486 PolarHBondContact O-N 3.47Å; I483-F487 WeakPolarHBondContact O-CA 3.42Å; I483-F487 PolarHBondContact O-N 2.89Å; I483-S488 PolarHBondContact O-N 3.38Å; I483-S488 PolarHBondContact O-OG 3.01Å |
| 484 | D | 94.6 | Very high | 80.9 | Confident | 101 Ų | 101 | 80.5 Ų | 80.5 | 54% | 0.54 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59.6 | -34.6 | -177.6 | -171.2 | 67.8 | 0 | 0 | 0 | 112.6 | F480 S488 | F480-D484 HydrophobicContact CE1-CB 4.15Å; F480-D484 HydrophobicContact CZ-CB 4.49Å; F480-D484 VanDerWaalsContact O-CB 3.32Å; F480-D484 WeakPolarHBondContact O-CB 3.46Å; F480-D484 PolarHBondContact O-N 3.05Å; D484-S488 WeakPolarHBondContact CA-OG 3.42Å; D484-S488 PolarHBondContact O-OG 3.31Å |
| 485 | Q | 94.3 | Very high | 78.4 | Confident | 107 Ų | 107 | 80.3 Ų | 80.3 | 50% | 0.5 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -88 | -32.2 | -176.2 | -171.5 | 173.9 | 10.9 | 0 | 0 | 113.8 | E481 I483 | E481-Q485 VanDerWaalsContact O-CB 3.26Å; E481-Q485 WeakPolarHBondContact O-CB 3.43Å; E481-Q485 PolarHBondContact O-N 3.25Å; I483-Q485 PolarHBondContact O-N 3.32Å |
| 486 | Y | 94.5 | Very high | 76.1 | Confident | 49 Ų | 49 | 85.3 Ų | 85.3 | 19% | 0.192 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -124.1 | -12.2 | -167.2 | -58.9 | -80 | 0 | 0 | 0 | 115.1 | L441 I442 A448 I482 I483 | L441-Y486 HydrophobicContact CB-CD1 4.26Å; L441-Y486 HydrophobicContact CB-CD2 4.31Å; L441-Y486 HydrophobicContact CB-CE1 3.9Å; L441-Y486 HydrophobicContact CB-CE2 3.97Å; L441-Y486 HydrophobicContact CB-CG 4.46Å; L441-Y486 HydrophobicContact CD1-CD2 3.84Å; L441-Y486 HydrophobicContact CD1-CE2 4.19Å; L441-Y486 HydrophobicContact CD1-CG 4.12Å; L441-Y486 HydrophobicContact CD2-CD1 4.1Å; L441-Y486 HydrophobicContact CD2-CG 4.18Å; L441-Y486 HydrophobicContact CG-CG 4.5Å; I442-Y486 WeakPolarHBondContact CG1-OH 3.5Å; A448-Y486 HydrophobicContact CB-CD1 4.05Å; A448-Y486 HydrophobicContact CB-CE1 3.94Å; I482-Y486 WeakPolarHBondContact O-CD2 3.48Å; I482-Y486 PolarHBondContact O-N 2.75Å; I482-Y486 VanDerWaalsContact O-N 3.14Å; I483-Y486 PolarHBondContact O-N 3.47Å |
| 487 | F | 92.4 | Very high | 73.7 | Confident | 41 Ų | 41 | 84.9 Ų | 84.9 | 18% | 0.18 | 46% | 0.458 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.7 | -17.9 | -172.5 | -63.5 | -83.4 | 0 | 0 | 0 | 114.6 | A452 I455 L461 I482 I483 G489 | A452-F487 HydrophobicContact CB-CD1 4.3Å; A452-F487 HydrophobicContact CB-CE1 3.65Å; A452-F487 HydrophobicContact CB-CZ 3.78Å; A452-F487 WeakPolarHBondContact O-CE1 3.15Å; I455-F487 HydrophobicContact CB-CZ 4.02Å; I455-F487 HydrophobicContact CD1-CZ 4.31Å; I455-F487 HydrophobicContact CG2-CE1 4.43Å; I455-F487 HydrophobicContact CG2-CZ 3.81Å; L461-F487 HydrophobicContact CB-CE1 4.45Å; L461-F487 HydrophobicContact CD1-CB 3.93Å; L461-F487 HydrophobicContact CD1-CD1 3.71Å; L461-F487 HydrophobicContact CD1-CD2 3.96Å; L461-F487 HydrophobicContact CD1-CE1 4.14Å; L461-F487 HydrophobicContact CD1-CE2 4.39Å; L461-F487 HydrophobicContact CD1-CG 3.59Å; L461-F487 HydrophobicContact CD1-CZ 4.47Å; L461-F487 HydrophobicContact CD2-CD1 3.78Å; L461-F487 HydrophobicContact CD2-CE1 4.32Å; L461-F487 HydrophobicContact CD2-CG 4.34Å; L461-F487 HydrophobicContact CG-CD1 4.23Å; I482-F487 HydrophobicContact CG2-CD2 4.32Å; I482-F487 HydrophobicContact CG2-CE2 3.93Å; I483-F487 WeakPolarHBondContact O-CA 3.42Å; I483-F487 PolarHBondContact O-N 2.89Å; F487-G489 PolarHBondContact O-N 3.28Å; F487-G489 VanDerWaalsContact O-N 3.16Å |
| 488 | S | 81.2 | Confident | 71.4 | Confident | 64 Ų | 64 | 86.9 Ų | 86.9 | 45% | 0.448 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -81.8 | 86 | 168.9 | 41.4 | 0 | 0 | 0 | 0 | 109.9 | I483 D484 | I483-S488 PolarHBondContact O-N 3.38Å; I483-S488 PolarHBondContact O-OG 3.01Å; D484-S488 WeakPolarHBondContact CA-OG 3.42Å; D484-S488 PolarHBondContact O-OG 3.31Å |
| 489 | G | 63.8 | Low | 69 | Low | 56 Ų | 56 | 92.3 Ų | 92.3 | 58% | 0.577 | 50% | 0.501 | S | S | * | . | trans | -59.3 | 137.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | F487 D491 | F487-G489 PolarHBondContact O-N 3.28Å; F487-G489 VanDerWaalsContact O-N 3.16Å; G489-D491 PolarHBondContact O-N 2.95Å | ||
| 490 | D | 50.5 | Low | 66.3 | Low | 168 Ų | 168 | 96.7 Ų | 96.7 | 90% | 0.898 | 53% | 0.529 | S | S | * | . | trans | -74.3 | 32.5 | 151.3 | -87.2 | -32.8 | 0 | 0 | 0 | 110.8 | I492 | D490-I492 PolarHBondContact O-N 3.41Å; D490-I492 VanDerWaalsContact O-N 3.08Å | ||
| 491 | D | 47.5 | Very low | 63.8 | Low | 154 Ų | 154 | 101.7 Ų | 101.7 | 82% | 0.824 | 55% | 0.553 | S | S | * | * | trans | -85.6 | 54.9 | 171.5 | -75.1 | -30.6 | 0 | 0 | 0 | 110.2 | G489 D493 | G489-D491 PolarHBondContact O-N 2.95Å; D491-D493 VanDerWaalsContact C-N 3.31Å; D491-D493 PolarHBondContact O-N 2.96Å | ||
| 492 | I | 44.2 | Very low | 61 | Low | 129 Ų | 129 | 103.4 Ų | 103.4 | 66% | 0.662 | 57% | 0.57 | S | S | * | * | trans | -90.2 | 85.1 | 150.1 | -44.7 | 179.1 | 0 | 0 | 0 | 105.3 | D490 E494 | D490-I492 PolarHBondContact O-N 3.41Å; D490-I492 VanDerWaalsContact O-N 3.08Å; I492-E494 HydrophobicContact CB-CG 4.3Å; I492-E494 HydrophobicContact CG2-CB 4.22Å; I492-E494 HydrophobicContact CG2-CG 3.41Å; I492-E494 VanDerWaalsContact CG2-CG 3.41Å; I492-E494 PolarHBondContact O-N 3.31Å | ||
| 493 | D | 42.6 | Very low | 58.5 | Low | 162 Ų | 162 | 108.4 Ų | 108.4 | 87% | 0.866 | 60% | 0.6 | S | S | * | * | trans | -57.1 | 88.2 | 142.5 | -91.1 | -31.8 | 0 | 0 | 0 | 105.3 | D491 D495 | D491-D493 VanDerWaalsContact C-N 3.31Å; D491-D493 PolarHBondContact O-N 2.96Å; D493-D495 PolarHBondContact O-N 2.71Å | ||
| 494 | E | 41.8 | Very low | 56 | Low | 156 Ų | 156 | 117.3 Ų | 117.3 | 73% | 0.729 | 64% | 0.641 | S | S | * | * | trans | -63.4 | 88.3 | 167.3 | -77.1 | -169.9 | 162 | 0 | 0 | 105.3 | I492 P496 | I492-E494 HydrophobicContact CB-CG 4.3Å; I492-E494 HydrophobicContact CG2-CB 4.22Å; I492-E494 HydrophobicContact CG2-CG 3.41Å; I492-E494 VanDerWaalsContact CG2-CG 3.41Å; I492-E494 PolarHBondContact O-N 3.31Å; E494-P496 WeakPolarHBondContact O-CD 3.11Å; E494-P496 WeakPolarHBondContact O-CG 3.26Å | ||
| 495 | D | 38.5 | Very low | 53.8 | Low | 90 Ų | 90 | 115.8 Ų | 115.8 | 48% | 0.481 | 65% | 0.65 | S | S | . | * | trans | -58.2 | 108.1 | 162.5 | -174 | -14.5 | 0 | 0 | 0 | 105.9 | D493 S497 L498 | D493-D495 PolarHBondContact O-N 2.71Å; D495-S497 PolarHBondContact O-N 3.36Å; D495-S497 VanDerWaalsContact OD1-CB 3.25Å; D495-S497 WeakPolarHBondContact OD1-CB 3.28Å; D495-S497 PolarHBondContact OD1-N 2.99Å; D495-S497 VanDerWaalsContact OD1-N 3.09Å; D495-S497 PolarHBondContact OD1-OG 3.41Å; D495-S497 PolarHBondContact OD2-OG 3.36Å; D495-L498 HydrophobicContact CB-CD1 4.46Å; D495-L498 PolarHBondContact O-N 3.44Å; D495-L498 VanDerWaalsContact O-N 3.17Å | ||
| 496 | P | 46.7 | Very low | 51.4 | Low | 105 Ų | 105 | 114.1 Ų | 114.1 | 68% | 0.682 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -65.4 | -4.8 | -175.2 | -16.1 | 31.6 | 0 | 0 | 0 | 111.9 | E494 | E494-P496 WeakPolarHBondContact O-CD 3.11Å; E494-P496 WeakPolarHBondContact O-CG 3.26Å |
| 497 | S | 45.1 | Very low | 48.7 | Very low | 89 Ų | 89 | 117.3 Ų | 117.3 | 62% | 0.622 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -82 | -9 | 177.7 | 74.4 | 0 | 0 | 0 | 0 | 114.8 | D495 | D495-S497 PolarHBondContact O-N 3.36Å; D495-S497 VanDerWaalsContact OD1-CB 3.25Å; D495-S497 WeakPolarHBondContact OD1-CB 3.28Å; D495-S497 PolarHBondContact OD1-N 2.99Å; D495-S497 VanDerWaalsContact OD1-N 3.09Å; D495-S497 PolarHBondContact OD1-OG 3.41Å; D495-S497 PolarHBondContact OD2-OG 3.36Å |
| 498 | L | 45.5 | Very low | 46.5 | Very low | 144 Ų | 144 | 123 Ų | 123 | 75% | 0.754 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -94.7 | 3.1 | 179 | -78.2 | 165 | 0 | 0 | 0 | 114.5 | D495 P500 | D495-L498 HydrophobicContact CB-CD1 4.46Å; D495-L498 PolarHBondContact O-N 3.44Å; D495-L498 VanDerWaalsContact O-N 3.17Å; L498-P500 VanDerWaalsContact O-CD 3.27Å; L498-P500 WeakPolarHBondContact O-CD 3.46Å |
| 499 | I | 44.3 | Very low | 44.6 | Very low | 129 Ų | 129 | 127.2 Ų | 127.2 | 66% | 0.662 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -77.3 | 115.2 | 174.4 | -43.9 | 173.1 | 0 | 0 | 0 | 108.5 | E501 | I499-E501 PolarHBondContact O-N 3.13Š|
| 500 | P | 42.3 | Very low | 43.6 | Very low | 91 Ų | 91 | 133.5 Ų | 133.5 | 59% | 0.591 | 74% | 0.74 | S | S | * | * | trans | -68.4 | 124.5 | 176.4 | -11.8 | 27.2 | 0 | 0 | 0 | 109.2 | L498 T502 | L498-P500 VanDerWaalsContact O-CD 3.27Å; L498-P500 WeakPolarHBondContact O-CD 3.46Å; P500-T502 PolarHBondContact O-N 3.33Å; P500-T502 VanDerWaalsContact O-N 3.08Å | ||
| 501 | E | 41.5 | Very low | 43.1 | Very low | 197 Ų | 197 | 131.3 Ų | 131.3 | 92% | 0.921 | 73% | 0.728 | S | S | * | * | trans | -59.6 | 115.2 | 174.8 | -77.4 | -170.2 | 161.6 | 0 | 0 | 110.5 | I499 T503 | I499-E501 PolarHBondContact O-N 3.13Å; E501-T503 PolarHBondContact O-N 2.99Å | ||
| 502 | T | 38.4 | Very low | 42.7 | Very low | 117 Ų | 117 | 130 Ų | 130 | 72% | 0.718 | 73% | 0.728 | S | S | * | * | trans | -80.7 | 111.8 | 172.1 | 50.6 | 0 | 0 | 0 | 0 | 110.2 | P500 | P500-T502 PolarHBondContact O-N 3.33Å; P500-T502 VanDerWaalsContact O-N 3.08Å | ||
| 503 | T | 42.5 | Very low | 42.6 | Very low | 105 Ų | 105 | 127.9 Ų | 127.9 | 64% | 0.644 | 73% | 0.73 | S | S | * | * | trans | -72.9 | 142.3 | 163.5 | 41.3 | 0 | 0 | 0 | 0 | 111.1 | E501 G505 | E501-T503 PolarHBondContact O-N 2.99Å; T503-G505 PolarHBondContact O-N 3.19Å | ||
| 504 | Q | 43.7 | Very low | 42.5 | Very low | 210 Ų | 210 | 125.4 Ų | 125.4 | 98% | 0.981 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.3 | 106.9 | 179.7 | -74.9 | -178.6 | -5.7 | 0 | 0 | 111.3 | ||
| 505 | G | 47.7 | Very low | 42.6 | Very low | 69 Ų | 69 | 125.5 Ų | 125.5 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 149.5 | -12.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | T503 T507 | T503-G505 PolarHBondContact O-N 3.19Å; G505-T507 PolarHBondContact O-N 3.23Å |
| 506 | G | 44.8 | Very low | 42.7 | Very low | 72 Ų | 72 | 129.8 Ų | 129.8 | 74% | 0.742 | 75% | 0.75 | S | S | * | * | S | Bend | trans | 74.7 | 20.3 | 167 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 507 | T | 38 | Very low | 42.1 | Very low | 116 Ų | 116 | 134 Ų | 134 | 71% | 0.712 | 76% | 0.761 | S | S | * | * | trans | -112.9 | 124.7 | 170.3 | 42.3 | 0 | 0 | 0 | 0 | 110.7 | G505 | G505-T507 PolarHBondContact O-N 3.23Š| ||
| 508 | F | 46.3 | Very low | 41.8 | Very low | 159 Ų | 159 | 136 Ų | 136 | 70% | 0.697 | 77% | 0.77 | S | S | * | * | trans | -67.9 | 128.4 | 172.8 | -65.8 | -82.4 | 0 | 0 | 0 | 110.6 | F510 | F508-F510 HydrophobicContact CB-CE2 4.46Š| ||
| 509 | N | 40.3 | Very low | 41.4 | Very low | 154 Ų | 154 | 138.7 Ų | 138.7 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | trans | -98.8 | 113.6 | 175.2 | -156.2 | 28.1 | 0 | 0 | 0 | 108.9 | ||||
| 510 | F | 43 | Very low | 40.7 | Very low | 188 Ų | 188 | 141.3 Ų | 141.3 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | -96.9 | 108.9 | 170.6 | -84.5 | -87.8 | 0 | 0 | 0 | 108.5 | F508 P512 | F508-F510 HydrophobicContact CB-CE2 4.46Å; F510-P512 WeakPolarHBondContact O-CD 3.43Å | ||
| 511 | D | 41.4 | Very low | 40.6 | Very low | 121 Ų | 121 | 146.4 Ų | 146.4 | 65% | 0.647 | 80% | 0.798 | S | S | * | * | trans | -86.1 | 115.5 | 174.6 | -156.7 | -9.9 | 0 | 0 | 0 | 109.4 | A513 | D511-A513 PolarHBondContact O-N 3.42Å; D511-A513 VanDerWaalsContact O-N 3.14Å | ||
| 512 | P | 38.8 | Very low | 40.4 | Very low | 126 Ų | 126 | 143.8 Ų | 143.8 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | 5.2 | -171.9 | -10.5 | 27 | 0 | 0 | 0 | 114.7 | F510 | F510-P512 WeakPolarHBondContact O-CD 3.43Š|
| 513 | A | 40.6 | Very low | 40.5 | Very low | 86 Ų | 86 | 151.3 Ų | 151.3 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | 1.7 | -165.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | D511 | D511-A513 PolarHBondContact O-N 3.42Å; D511-A513 VanDerWaalsContact O-N 3.14Å |
| 514 | S | 42.3 | Very low | 40.4 | Very low | 109 Ų | 109 | 153.7 Ų | 153.7 | 76% | 0.762 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -97.7 | 10.7 | -172.8 | 55.8 | 0 | 0 | 0 | 0 | 116 | ||
| 515 | N | 42.8 | Very low | 40.3 | Very low | 159 Ų | 159 | 150.7 Ų | 150.7 | 85% | 0.85 | 81% | 0.814 | S | S | * | * | trans | -123.8 | 57.3 | -177.7 | -119.3 | 0.3 | 0 | 0 | 0 | 113.9 | ||||
| 516 | M | 39.8 | Very low | 39.9 | Very low | 179 Ų | 179 | 155.2 Ų | 155.2 | 88% | 0.882 | 82% | 0.819 | S | S | * | * | trans | -154 | 91.8 | 154.4 | -90.4 | -162.6 | 170 | 0 | 0 | 110.3 | ||||
| 517 | Q | 35.7 | Very low | 39.6 | Very low | 195 Ų | 195 | 160.1 Ų | 160.1 | 91% | 0.911 | 82% | 0.824 | S | S | * | * | trans | -122.4 | 100.8 | 151.3 | -83.4 | -172.9 | -7.8 | 0 | 0 | 109.4 | K519 | Q517-K519 PolarHBondContact O-N 2.78Š| ||
| 518 | T | 38.1 | Very low | 39.7 | Very low | 131 Ų | 131 | 162.9 Ų | 162.9 | 80% | 0.804 | 83% | 0.831 | S | S | * | * | trans | -45.7 | 120.1 | 164.4 | 41.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 519 | K | 36.6 | Very low | 39.2 | Very low | 199 Ų | 199 | 163.1 Ų | 163.1 | 87% | 0.865 | 84% | 0.84 | S | S | * | * | trans | -86.6 | 106.7 | 162.4 | -84 | -175.2 | 174.7 | 177.8 | 0 | 109.4 | Q517 | Q517-K519 PolarHBondContact O-N 2.78Š| ||
| 520 | E | 31.1 | Very low | 39.2 | Very low | 184 Ų | 184 | 163.8 Ų | 163.8 | 86% | 0.86 | 84% | 0.841 | S | S | * | * | trans | -65.3 | 137.8 | 159.4 | -77.1 | 179.6 | 142.1 | 0 | 0 | 109.9 | ||||
| 521 | F | 40 | Very low | 38.9 | Very low | 199 Ų | 199 | 161.9 Ų | 161.9 | 87% | 0.873 | 84% | 0.842 | S | S | * | * | trans | -94.4 | 132.7 | 167.4 | -86.8 | -90.2 | 0 | 0 | 0 | 110.1 | ||||
| 522 | N | 37.4 | Very low | 38.6 | Very low | 142 Ų | 142 | 165.3 Ų | 165.3 | 76% | 0.759 | 86% | 0.858 | S | S | * | * | trans | -154.7 | 130.4 | 157.4 | -84.9 | -39.2 | 0 | 0 | 0 | 105.5 | ||||
| 523 | F | 40.5 | Very low | 38.6 | Very low | 275 Ų | 275 | 168.9 Ų | 168.9 | 100% | 1.206 | 86% | 0.862 | S | S | * | * | cis | -127.6 | 0 | 24.5 | -89.3 | -94.9 | 0 | 0 | 0 | 113.3 |
Retrieved 523 of 523 residues in 118.6 ms
(Link to these results)