| 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 | 65.6 | Low | 83.8 | Confident | 228 Ų | 228 | 181.5 Ų | 181.5 | 100% | 1.123 | 83% | 0.832 | S | S | * | * | 0 | 107.2 | 0 | -71.4 | -160.9 | 172.3 | 0 | 0 | 108.9 | |||||
| 2 | L | 81.5 | Confident | 84.1 | Confident | 178 Ų | 178 | 173 Ų | 173 | 93% | 0.932 | 81% | 0.809 | S | S | * | * | trans | -115.1 | -13.3 | -175 | -85.2 | 148.9 | 0 | 0 | 0 | 113.8 | ||||
| 3 | S | 85.4 | Confident | 84.3 | Confident | 126 Ų | 126 | 169.6 Ų | 169.6 | 88% | 0.881 | 81% | 0.808 | S | S | * | * | trans | -99.6 | 3 | -170.3 | -52 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 4 | E | 86.9 | Confident | 84.8 | Confident | 148 Ų | 148 | 160.9 Ų | 160.9 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -78.2 | 136.8 | 178.8 | -166.8 | 175.7 | -179.1 | 0 | 0 | 111.4 | R6 | E4-R6 PolarHBondContact O-N 3.49Å; E4-R6 VanDerWaalsContact O-N 3.11Å |
| 5 | K | 88.5 | Confident | 84.9 | Confident | 189 Ų | 189 | 157.7 Ų | 157.7 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | trans | -60.4 | 114.7 | 173.8 | -71.4 | -177.7 | 178 | 177.5 | 0 | 109.6 | K7 | K5-K7 PolarHBondContact O-N 3.34Å; K5-K7 VanDerWaalsContact O-N 3.13Å | ||
| 6 | R | 87.7 | Confident | 85 | Confident | 248 Ų | 248 | 157.2 Ų | 157.2 | 94% | 0.936 | 77% | 0.768 | S | S | * | * | trans | -58.1 | 116.3 | 176.8 | -66.9 | 177 | 69.7 | 172.8 | 2.3 | 110.3 | E4 | E4-R6 PolarHBondContact O-N 3.49Å; E4-R6 VanDerWaalsContact O-N 3.11Å | ||
| 7 | K | 85.4 | Confident | 85.1 | Confident | 178 Ų | 178 | 150.4 Ų | 150.4 | 77% | 0.774 | 75% | 0.748 | S | S | * | * | trans | -93.4 | 122.5 | 168.9 | -69.1 | 177.8 | -178.6 | 169.1 | 0 | 109 | K5 V9 | K5-K7 PolarHBondContact O-N 3.34Å; K5-K7 VanDerWaalsContact O-N 3.13Å; K7-V9 PolarHBondContact O-N 3.38Å | ||
| 8 | K | 86.7 | Confident | 85.3 | Confident | 183 Ų | 183 | 146.6 Ų | 146.6 | 80% | 0.796 | 73% | 0.731 | S | S | * | * | trans | -76.6 | 105.9 | 172 | -173.8 | 172.6 | -177.5 | 172.5 | 0 | 108.7 | ||||
| 9 | V | 85.6 | Confident | 85.4 | Confident | 92 Ų | 92 | 142.6 Ų | 142.6 | 56% | 0.558 | 71% | 0.712 | S | S | * | * | trans | -73.7 | 126.3 | 171.7 | -177.2 | 0 | 0 | 0 | 0 | 108.1 | K7 Y11 | K7-V9 PolarHBondContact O-N 3.38Å; V9-Y11 HydrophobicContact CB-CE2 4.45Å; V9-Y11 HydrophobicContact CG1-CD1 4.17Å; V9-Y11 HydrophobicContact CG1-CD2 4.45Å; V9-Y11 HydrophobicContact CG1-CE1 3.78Å; V9-Y11 HydrophobicContact CG1-CE2 4.08Å; V9-Y11 HydrophobicContact CG1-CG 4.5Å | ||
| 10 | R | 84.3 | Confident | 85.5 | Confident | 215 Ų | 215 | 144.2 Ų | 144.2 | 81% | 0.811 | 71% | 0.709 | S | S | * | * | trans | -99.6 | 115.6 | 165.8 | -75.2 | -170.3 | 165.3 | 156.4 | -2.9 | 107.6 | S12 | R10-S12 PolarHBondContact O-N 3.44Š| ||
| 11 | Y | 84.5 | Confident | 85.5 | Confident | 211 Ų | 211 | 139.6 Ų | 139.6 | 83% | 0.827 | 69% | 0.694 | S | S | * | * | trans | -80.1 | 111.2 | 166.6 | -58.6 | -74.4 | 0 | 0 | 0 | 107.1 | V9 | V9-Y11 HydrophobicContact CB-CE2 4.45Å; V9-Y11 HydrophobicContact CG1-CD1 4.17Å; V9-Y11 HydrophobicContact CG1-CD2 4.45Å; V9-Y11 HydrophobicContact CG1-CE1 3.78Å; V9-Y11 HydrophobicContact CG1-CE2 4.08Å; V9-Y11 HydrophobicContact CG1-CG 4.5Å | ||
| 12 | S | 86.6 | Confident | 86.4 | Confident | 80 Ų | 80 | 132.7 Ų | 132.7 | 56% | 0.559 | 67% | 0.665 | S | S | * | * | trans | -78.6 | 147.3 | 168.1 | -174.7 | 0 | 0 | 0 | 0 | 108.5 | R10 D14 | R10-S12 PolarHBondContact O-N 3.44Å; S12-D14 PolarHBondContact O-N 3.5Å; S12-D14 VanDerWaalsContact O-N 3.1Å; S12-D14 PolarHBondContact OG-N 3.36Å | ||
| 13 | T | 87.4 | Confident | 86.8 | Confident | 129 Ų | 129 | 127.9 Ų | 127.9 | 79% | 0.791 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -55.4 | -23.7 | 167.3 | -45.5 | 0 | 0 | 0 | 0 | 111.4 | P15 | T13-P15 VanDerWaalsContact O-CD 3.28Å; T13-P15 WeakPolarHBondContact O-CD 3.44Å |
| 14 | D | 90.7 | Very high | 86.9 | Confident | 48 Ų | 48 | 128 Ų | 128 | 26% | 0.257 | 63% | 0.63 | S | S | . | * | trans | -119.4 | 78.8 | -174.7 | -59.6 | 25.2 | 0 | 0 | 0 | 109.4 | S12 N16 G17 L19 | S12-D14 PolarHBondContact O-N 3.5Å; S12-D14 VanDerWaalsContact O-N 3.1Å; S12-D14 PolarHBondContact OG-N 3.36Å; D14-N16 PolarHBondContact O-N 3.04Å; D14-N16 VanDerWaalsContact O-N 3.11Å; D14-G17 PolarHBondContact O-N 3Å; D14-G17 VanDerWaalsContact O-N 3.1Å; D14-L19 HydrophobicContact CB-CD1 4.47Å; D14-L19 HydrophobicContact CB-CG 4.19Å; D14-L19 WeakPolarHBondContact OD1-CD1 3.07Å; D14-L19 WeakPolarHBondContact OD1-CG 3.5Å; D14-L19 WeakPolarHBondContact OD2-CB 3.5Å; D14-L19 WeakPolarHBondContact OD2-CD1 3.38Å; D14-L19 WeakPolarHBondContact OD2-CG 3.42Å | ||
| 15 | P | 86.9 | Confident | 87 | Confident | 113 Ų | 113 | 126.8 Ų | 126.8 | 73% | 0.734 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | -28.3 | -177.4 | 23.4 | -33.9 | 0 | 0 | 0 | 112.7 | T13 | T13-P15 VanDerWaalsContact O-CD 3.28Å; T13-P15 WeakPolarHBondContact O-CD 3.44Å |
| 16 | N | 86.6 | Confident | 87.1 | Confident | 149 Ų | 149 | 120.3 Ų | 120.3 | 80% | 0.797 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.4 | -2.4 | -179.9 | -64.5 | -22.5 | 0 | 0 | 0 | 113.8 | D14 N18 | D14-N16 PolarHBondContact O-N 3.04Å; D14-N16 VanDerWaalsContact O-N 3.11Å; N16-N18 HydrophobicContact CB-CB 4.48Å; N16-N18 PolarHBondContact O-N 3.41Å |
| 17 | G | 87.2 | Confident | 87.4 | Confident | 41 Ų | 41 | 116.1 Ų | 116.1 | 42% | 0.423 | 59% | 0.592 | S | S | . | * | S | Bend | trans | 60.3 | 26 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | D14 W20 | D14-G17 PolarHBondContact O-N 3Å; D14-G17 VanDerWaalsContact O-N 3.1Å; G17-W20 PolarHBondContact O-NE1 3.33Å |
| 18 | N | 87.8 | Confident | 87.8 | Confident | 83 Ų | 83 | 109.1 Ų | 109.1 | 44% | 0.444 | 57% | 0.57 | S | S | . | * | trans | -105.8 | -2.5 | -171.5 | -162.2 | 36.7 | 0 | 0 | 0 | 114.4 | N16 W20 A21 T22 | N16-N18 HydrophobicContact CB-CB 4.48Å; N16-N18 PolarHBondContact O-N 3.41Å; N18-W20 VanDerWaalsContact C-N 3.32Å; N18-W20 PolarHBondContact O-N 2.99Å; N18-A21 PolarHBondContact O-N 3.21Å; N18-A21 VanDerWaalsContact O-N 3.1Å; N18-A21 WeakPolarHBondContact OD1-CB 3.3Å; N18-T22 VanDerWaalsContact ND2-CG2 3.35Å; N18-T22 WeakPolarHBondContact ND2-CG2 3.42Å; N18-T22 PolarHBondContact O-N 2.94Å; N18-T22 VanDerWaalsContact O-N 3.1Å; N18-T22 PolarHBondContact O-OG1 3.08Å | ||
| 19 | L | 88.1 | Confident | 88.1 | Confident | 71 Ų | 71 | 102.1 Ų | 102.1 | 37% | 0.372 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.8 | -41.3 | -173 | -65 | -166.8 | 0 | 0 | 0 | 112.3 | D14 A21 T22 N23 | D14-L19 HydrophobicContact CB-CD1 4.47Å; D14-L19 HydrophobicContact CB-CG 4.19Å; D14-L19 WeakPolarHBondContact OD1-CD1 3.07Å; D14-L19 WeakPolarHBondContact OD1-CG 3.5Å; D14-L19 WeakPolarHBondContact OD2-CB 3.5Å; D14-L19 WeakPolarHBondContact OD2-CD1 3.38Å; D14-L19 WeakPolarHBondContact OD2-CG 3.42Å; L19-A21 PolarHBondContact O-N 3.44Å; L19-T22 WeakPolarHBondContact CA-OG1 3.36Å; L19-T22 PolarHBondContact O-N 3.15Å; L19-T22 PolarHBondContact O-OG1 3.01Å; L19-T22 VanDerWaalsContact O-OG1 3.13Å; L19-N23 WeakPolarHBondContact O-CB 3.46Å; L19-N23 PolarHBondContact O-N 2.96Å; L19-N23 PolarHBondContact O-ND2 3.32Å; L19-N23 PolarHBondContact O-OD1 3.46Å |
| 20 | W | 86.1 | Confident | 88.5 | Confident | 174 Ų | 174 | 102.4 Ų | 102.4 | 66% | 0.659 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -55.7 | -35 | 177.5 | 69.5 | -82.1 | 0 | 0 | 0 | 112.9 | G17 N18 N26 | G17-W20 PolarHBondContact O-NE1 3.33Å; N18-W20 VanDerWaalsContact C-N 3.32Å; N18-W20 PolarHBondContact O-N 2.99Å; W20-N26 PolarHBondContact O-ND2 2.88Å |
| 21 | A | 85.9 | Confident | 89 | Confident | 48 Ų | 48 | 96.3 Ų | 96.3 | 40% | 0.397 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -84 | -31.4 | 180 | 0 | 0 | 0 | 0 | 0 | 112.8 | N18 L19 | N18-A21 PolarHBondContact O-N 3.21Å; N18-A21 VanDerWaalsContact O-N 3.1Å; N18-A21 WeakPolarHBondContact OD1-CB 3.3Å; L19-A21 PolarHBondContact O-N 3.44Å |
| 22 | T | 85.7 | Confident | 89.5 | Confident | 83 Ų | 83 | 89.8 Ų | 89.8 | 51% | 0.509 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -81.2 | -21.8 | 179 | 53.7 | 0 | 0 | 0 | 0 | 113.6 | N18 L19 L24 | N18-T22 VanDerWaalsContact ND2-CG2 3.35Å; N18-T22 WeakPolarHBondContact ND2-CG2 3.42Å; N18-T22 PolarHBondContact O-N 2.94Å; N18-T22 VanDerWaalsContact O-N 3.1Å; N18-T22 PolarHBondContact O-OG1 3.08Å; L19-T22 WeakPolarHBondContact CA-OG1 3.36Å; L19-T22 PolarHBondContact O-N 3.15Å; L19-T22 PolarHBondContact O-OG1 3.01Å; L19-T22 VanDerWaalsContact O-OG1 3.13Å; T22-L24 PolarHBondContact O-N 2.84Å |
| 23 | N | 89.1 | Confident | 89.8 | Confident | 76 Ų | 76 | 89.5 Ų | 89.5 | 41% | 0.406 | 48% | 0.483 | S | S | . | . | trans | -68.3 | 116.5 | -174.4 | -74.1 | -18.3 | 0 | 0 | 0 | 112.3 | L19 N25 N26 R29 | L19-N23 WeakPolarHBondContact O-CB 3.46Å; L19-N23 PolarHBondContact O-N 2.96Å; L19-N23 PolarHBondContact O-ND2 3.32Å; L19-N23 PolarHBondContact O-OD1 3.46Å; N23-N25 PolarHBondContact O-N 3.03Å; N23-N26 HydrophobicContact CB-CB 4.28Å; N23-N26 WeakPolarHBondContact O-CB 3.18Å; N23-N26 PolarHBondContact O-N 3.23Å; N23-R29 WeakPolarHBondContact O-CD 3.5Å; N23-R29 PolarHBondContact O-NE 3.07Å | ||
| 24 | L | 86.8 | Confident | 90.2 | Very high | 129 Ų | 129 | 92 Ų | 92 | 68% | 0.675 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -36.7 | 177.2 | -159.7 | 78.2 | 0 | 0 | 0 | 111.2 | T22 N26 R29 | T22-L24 PolarHBondContact O-N 2.84Å; L24-N26 VanDerWaalsContact C-N 3.27Å; L24-N26 PolarHBondContact O-N 3.34Å; L24-R29 PolarHBondContact O-NE 3.43Å; L24-R29 PolarHBondContact O-NH2 3.14Å |
| 25 | N | 89.8 | Confident | 90.4 | Very high | 122 Ų | 122 | 98.8 Ų | 98.8 | 65% | 0.652 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | 3.4 | -174.4 | -158.7 | 19.5 | 0 | 0 | 0 | 114.4 | N23 F27 K30 | N23-N25 PolarHBondContact O-N 3.03Å; N25-F27 PolarHBondContact O-N 3.47Å; N25-K30 WeakPolarHBondContact OD1-CE 3.18Å; N25-K30 PolarHBondContact OD1-NZ 3.09Å |
| 26 | N | 91.1 | Very high | 90.8 | Very high | 54 Ų | 54 | 96.6 Ų | 96.6 | 29% | 0.289 | 50% | 0.504 | S | S | . | . | trans | -66.3 | 135.9 | -175 | -167.9 | -0.7 | 0 | 0 | 0 | 112 | W20 N23 L24 G28 R29 K30 | W20-N26 PolarHBondContact O-ND2 2.88Å; N23-N26 HydrophobicContact CB-CB 4.28Å; N23-N26 WeakPolarHBondContact O-CB 3.18Å; N23-N26 PolarHBondContact O-N 3.23Å; L24-N26 VanDerWaalsContact C-N 3.27Å; L24-N26 PolarHBondContact O-N 3.34Å; N26-G28 PolarHBondContact O-N 2.84Å; N26-R29 HydrophobicContact CB-CB 4.24Å; N26-R29 WeakPolarHBondContact O-CB 3.13Å; N26-R29 PolarHBondContact O-N 3.2Å; N26-R29 VanDerWaalsContact O-N 3.14Å; N26-K30 PolarHBondContact O-N 3.4Å | ||
| 27 | F | 93.3 | Very high | 91.1 | Very high | 160 Ų | 160 | 92.6 Ų | 92.6 | 70% | 0.702 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -52 | -50.4 | 179.5 | 171.8 | -98 | 0 | 0 | 0 | 112.4 | N25 R29 K30 M31 | N25-F27 PolarHBondContact O-N 3.47Å; F27-R29 VanDerWaalsContact C-N 3.25Å; F27-R29 PolarHBondContact O-N 3.16Å; F27-K30 PolarHBondContact O-N 3.26Å; F27-M31 HydrophobicContact CE1-SD 4.16Å; F27-M31 HydrophobicContact CZ-SD 4.23Å; F27-M31 PolarHBondContact O-N 3.44Å |
| 28 | G | 93 | Very high | 91.3 | Very high | 31 Ų | 31 | 92.2 Ų | 92.2 | 32% | 0.32 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.3 | -34.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | N26 M31 L32 | N26-G28 PolarHBondContact O-N 2.84Å; G28-M31 PolarHBondContact O-N 3.04Å; G28-L32 WeakPolarHBondContact O-CG 3.46Å; G28-L32 PolarHBondContact O-N 3.1Å |
| 29 | R | 93.2 | Very high | 91.5 | Very high | 36 Ų | 36 | 92.6 Ų | 92.6 | 14% | 0.136 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -69.4 | -46.3 | 178.5 | -155.9 | -178.4 | 74.8 | 80.2 | 26 | 111.6 | N23 L24 N26 F27 M31 L32 E33 W37 | N23-R29 WeakPolarHBondContact O-CD 3.5Å; N23-R29 PolarHBondContact O-NE 3.07Å; L24-R29 PolarHBondContact O-NE 3.43Å; L24-R29 PolarHBondContact O-NH2 3.14Å; N26-R29 HydrophobicContact CB-CB 4.24Å; N26-R29 WeakPolarHBondContact O-CB 3.13Å; N26-R29 PolarHBondContact O-N 3.2Å; N26-R29 VanDerWaalsContact O-N 3.14Å; F27-R29 VanDerWaalsContact C-N 3.25Å; F27-R29 PolarHBondContact O-N 3.16Å; R29-M31 VanDerWaalsContact C-N 3.29Å; R29-M31 PolarHBondContact O-N 2.8Å; R29-L32 PolarHBondContact O-N 3.08Å; R29-E33 IonicContact CZ-OE1 2.92Å; R29-E33 IonicContact NH1-OE1 2.93Å; R29-E33 PolarHBondContact NH1-OE1 3.22Å; R29-E33 IonicContact NH2-OE1 3.87Å; R29-E33 PolarHBondContact NH2-OE1 3.45Å; R29-E33 IonicContact NH2-OE2 3.1Å; R29-E33 PolarHBondContact NH2-OE2 3.07Å; R29-E33 WeakPolarHBondContact O-CG 3.41Å; R29-E33 PolarHBondContact O-N 3.02Å; R29-W37 HydrophobicContact CG-CZ3 4.05Å |
| 30 | K | 94 | Very high | 91.6 | Very high | 97 Ų | 97 | 92 Ų | 92 | 42% | 0.422 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.5 | -40.7 | 173.9 | -68.8 | -176.1 | -177.6 | -179.4 | 0 | 111.9 | N25 N26 F27 E33 K34 | N25-K30 WeakPolarHBondContact OD1-CE 3.18Å; N25-K30 PolarHBondContact OD1-NZ 3.09Å; N26-K30 PolarHBondContact O-N 3.4Å; F27-K30 PolarHBondContact O-N 3.26Å; K30-E33 PolarHBondContact O-N 2.99Å; K30-K34 WeakPolarHBondContact O-CG 3.47Å; K30-K34 PolarHBondContact O-N 3.41Å |
| 31 | M | 95 | Very high | 92 | Very high | 88 Ų | 88 | 89.3 Ų | 89.3 | 43% | 0.433 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.3 | -45.1 | 177.8 | -175.4 | 171.3 | 168.7 | 0 | 0 | 111.4 | F27 G28 R29 E33 K34 Y35 | F27-M31 HydrophobicContact CE1-SD 4.16Å; F27-M31 HydrophobicContact CZ-SD 4.23Å; F27-M31 PolarHBondContact O-N 3.44Å; G28-M31 PolarHBondContact O-N 3.04Å; R29-M31 VanDerWaalsContact C-N 3.29Å; R29-M31 PolarHBondContact O-N 2.8Å; M31-E33 PolarHBondContact O-N 2.8Å; M31-K34 WeakPolarHBondContact O-CB 3.46Å; M31-K34 PolarHBondContact O-N 3.2Å; M31-Y35 HydrophobicContact CE-CE2 3.82Å; M31-Y35 HydrophobicContact CG-CD2 4.16Å; M31-Y35 HydrophobicContact CG-CE2 3.87Å; M31-Y35 WeakPolarHBondContact O-CD2 3.3Å; M31-Y35 PolarHBondContact O-N 3.04Å |
| 32 | L | 94.6 | Very high | 92.4 | Very high | 73 Ų | 73 | 87.2 Ų | 87.2 | 38% | 0.382 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.5 | -43.2 | 175.1 | -73.4 | 172.2 | 0 | 0 | 0 | 112.1 | G28 R29 K34 Y35 G36 W37 | G28-L32 WeakPolarHBondContact O-CG 3.46Å; G28-L32 PolarHBondContact O-N 3.1Å; R29-L32 PolarHBondContact O-N 3.08Å; L32-K34 VanDerWaalsContact C-N 3.31Å; L32-K34 PolarHBondContact O-N 2.79Å; L32-Y35 CarbonylContact O-C 3.58Å; L32-Y35 PolarHBondContact O-N 3.02Å; L32-Y35 VanDerWaalsContact O-N 3.09Å; L32-G36 PolarHBondContact O-N 2.96Å; L32-W37 HydrophobicContact CB-CB 3.98Å; L32-W37 HydrophobicContact CB-CD2 4.05Å; L32-W37 HydrophobicContact CB-CE3 3.63Å; L32-W37 HydrophobicContact CB-CG 4.24Å; L32-W37 HydrophobicContact CB-CZ3 4.43Å; L32-W37 HydrophobicContact CD1-CD2 4.41Å; L32-W37 HydrophobicContact CD1-CE3 4.25Å; L32-W37 VanDerWaalsContact O-CB 3.31Å; L32-W37 WeakPolarHBondContact O-CB 3.47Å; L32-W37 PolarHBondContact O-N 3.25Å |
| 33 | E | 94 | Very high | 92.8 | Very high | 74 Ų | 74 | 88.3 Ų | 88.3 | 35% | 0.346 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58.5 | -41.1 | 174.7 | -74.1 | 172.6 | 179.7 | 0 | 0 | 111.7 | R29 K30 M31 Y35 G36 W37 | R29-E33 IonicContact CZ-OE1 2.92Å; R29-E33 IonicContact NH1-OE1 2.93Å; R29-E33 PolarHBondContact NH1-OE1 3.22Å; R29-E33 IonicContact NH2-OE1 3.87Å; R29-E33 PolarHBondContact NH2-OE1 3.45Å; R29-E33 IonicContact NH2-OE2 3.1Å; R29-E33 PolarHBondContact NH2-OE2 3.07Å; R29-E33 WeakPolarHBondContact O-CG 3.41Å; R29-E33 PolarHBondContact O-N 3.02Å; K30-E33 PolarHBondContact O-N 2.99Å; M31-E33 PolarHBondContact O-N 2.8Å; E33-Y35 VanDerWaalsContact C-N 3.26Å; E33-Y35 PolarHBondContact O-N 3.43Å; E33-G36 PolarHBondContact O-N 3.01Å; E33-W37 WeakPolarHBondContact CA-O 3.4Å; E33-W37 HydrophobicContact CG-CE3 4.46Å |
| 34 | K | 95.7 | Very high | 93.1 | Very high | 181 Ų | 181 | 87.4 Ų | 87.4 | 79% | 0.787 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -60.7 | -31.9 | 174.7 | -75 | 178.1 | 177.7 | -170.2 | 0 | 113.5 | K30 M31 L32 G36 | K30-K34 WeakPolarHBondContact O-CG 3.47Å; K30-K34 PolarHBondContact O-N 3.41Å; M31-K34 WeakPolarHBondContact O-CB 3.46Å; M31-K34 PolarHBondContact O-N 3.2Å; L32-K34 VanDerWaalsContact C-N 3.31Å; L32-K34 PolarHBondContact O-N 2.79Å; K34-G36 VanDerWaalsContact C-N 3.27Å; K34-G36 PolarHBondContact O-N 3.36Å |
| 35 | Y | 94.9 | Very high | 93.4 | Very high | 192 Ų | 192 | 91.4 Ų | 91.4 | 75% | 0.753 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | 9.5 | 175.7 | -72 | -71.2 | 0 | 0 | 0 | 113.5 | M31 L32 E33 | M31-Y35 HydrophobicContact CE-CE2 3.82Å; M31-Y35 HydrophobicContact CG-CD2 4.16Å; M31-Y35 HydrophobicContact CG-CE2 3.87Å; M31-Y35 WeakPolarHBondContact O-CD2 3.3Å; M31-Y35 PolarHBondContact O-N 3.04Å; L32-Y35 CarbonylContact O-C 3.58Å; L32-Y35 PolarHBondContact O-N 3.02Å; L32-Y35 VanDerWaalsContact O-N 3.09Å; E33-Y35 VanDerWaalsContact C-N 3.26Å; E33-Y35 PolarHBondContact O-N 3.43Å |
| 36 | G | 94 | Very high | 93.6 | Very high | 66 Ų | 66 | 91 Ų | 91 | 68% | 0.68 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.3 | 9.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | L32 E33 K34 | L32-G36 PolarHBondContact O-N 2.96Å; E33-G36 PolarHBondContact O-N 3.01Å; K34-G36 VanDerWaalsContact C-N 3.27Å; K34-G36 PolarHBondContact O-N 3.36Å |
| 37 | W | 94.5 | Very high | 93.6 | Very high | 66 Ų | 66 | 90.7 Ų | 90.7 | 25% | 0.25 | 49% | 0.487 | C | S | . | . | trans | -72.8 | 133.9 | 169 | 176.7 | 76.4 | 0 | 0 | 0 | 110.2 | R29 L32 E33 K41 L43 | R29-W37 HydrophobicContact CG-CZ3 4.05Å; L32-W37 HydrophobicContact CB-CB 3.98Å; L32-W37 HydrophobicContact CB-CD2 4.05Å; L32-W37 HydrophobicContact CB-CE3 3.63Å; L32-W37 HydrophobicContact CB-CG 4.24Å; L32-W37 HydrophobicContact CB-CZ3 4.43Å; L32-W37 HydrophobicContact CD1-CD2 4.41Å; L32-W37 HydrophobicContact CD1-CE3 4.25Å; L32-W37 VanDerWaalsContact O-CB 3.31Å; L32-W37 WeakPolarHBondContact O-CB 3.47Å; L32-W37 PolarHBondContact O-N 3.25Å; E33-W37 WeakPolarHBondContact CA-O 3.4Å; E33-W37 HydrophobicContact CG-CE3 4.46Å; W37-K41 PolarHBondContact NE1-O 3.29Å; W37-L43 VanDerWaalsContact CD1-CD2 3.5Å; W37-L43 HydrophobicContact CG-CD2 4.13Å | ||
| 38 | A | 91.8 | Very high | 93.6 | Very high | 33 Ų | 33 | 89.6 Ų | 89.6 | 27% | 0.273 | 49% | 0.489 | S | S | . | . | trans | -112.2 | 145.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | G40 K41 | A38-G40 PolarHBondContact O-N 2.61Å; A38-K41 HydrophobicContact CB-CD 4.09Å; A38-K41 HydrophobicContact CB-CG 4.32Å; A38-K41 PolarHBondContact O-N 3.16Å; A38-K41 VanDerWaalsContact O-N 3.13Å | ||
| 39 | P | 90.9 | Very high | 93.7 | Very high | 90 Ų | 90 | 89.5 Ų | 89.5 | 58% | 0.584 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 134.4 | 177.8 | 25.1 | -34.3 | 0 | 0 | 0 | 110.8 | K41 | P39-K41 VanDerWaalsContact C-N 3.32Å; P39-K41 PolarHBondContact O-N 3.35Å |
| 40 | G | 90.9 | Very high | 93.8 | Very high | 58 Ų | 58 | 93.9 Ų | 93.9 | 60% | 0.598 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.7 | -9.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | A38 K51 | A38-G40 PolarHBondContact O-N 2.61Å; G40-K51 WeakPolarHBondContact O-CD 3.48Å; G40-K51 WeakPolarHBondContact O-CE 3.49Å |
| 41 | K | 93.5 | Very high | 93.7 | Very high | 118 Ų | 118 | 97.1 Ų | 97.1 | 51% | 0.513 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -89.9 | 143.8 | 171.6 | -65.6 | -168.6 | -176.9 | 179.4 | 0 | 111.3 | W37 A38 P39 | W37-K41 PolarHBondContact NE1-O 3.29Å; A38-K41 HydrophobicContact CB-CD 4.09Å; A38-K41 HydrophobicContact CB-CG 4.32Å; A38-K41 PolarHBondContact O-N 3.16Å; A38-K41 VanDerWaalsContact O-N 3.13Å; P39-K41 VanDerWaalsContact C-N 3.32Å; P39-K41 PolarHBondContact O-N 3.35Å |
| 42 | G | 94.5 | Very high | 93.5 | Very high | 4 Ų | 4 | 96.2 Ų | 96.2 | 4% | 0.041 | 53% | 0.533 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 161.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | S47 G49 | G42-S47 PolarHBondContact N-O 3.07Å; G42-S47 WeakPolarHBondContact O-CA 3.12Å; G42-G49 WeakPolarHBondContact CA-O 2.99Å |
| 43 | L | 94.6 | Very high | 93.3 | Very high | 107 Ų | 107 | 98.3 Ų | 98.3 | 56% | 0.56 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -77 | 164.9 | 173.1 | -64.8 | 171.3 | 0 | 0 | 0 | 111.5 | W37 G49 | W37-L43 VanDerWaalsContact CD1-CD2 3.5Å; W37-L43 HydrophobicContact CG-CD2 4.13Å; L43-G49 VanDerWaalsContact O-CA 3.26Å; L43-G49 WeakPolarHBondContact O-CA 3.29Å; L43-G49 PolarHBondContact O-N 2.62Å |
| 44 | G | 94.5 | Very high | 93.3 | Very high | 57 Ų | 57 | 101.6 Ų | 101.6 | 59% | 0.588 | 57% | 0.57 | S | S | * | * | S | Bend | trans | 103.8 | 166.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | N46 S47 | G44-N46 VanDerWaalsContact C-N 3.26Å; G44-N46 PolarHBondContact O-N 3.45Å; G44-N46 VanDerWaalsContact O-N 3.14Å; G44-S47 PolarHBondContact O-N 2.93Å |
| 45 | K | 94 | Very high | 93.1 | Very high | 212 Ų | 212 | 102.4 Ų | 102.4 | 92% | 0.922 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51 | -42 | -172.2 | -175.1 | 179.3 | 178.6 | 178.9 | 0 | 113.8 | ||
| 46 | N | 93.3 | Very high | 92.8 | Very high | 113 Ų | 113 | 97.6 Ų | 97.6 | 60% | 0.604 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | 12 | -177.7 | -60.5 | -9.2 | 0 | 0 | 0 | 112.7 | G44 N48 | G44-N46 VanDerWaalsContact C-N 3.26Å; G44-N46 PolarHBondContact O-N 3.45Å; G44-N46 VanDerWaalsContact O-N 3.14Å; N46-N48 PolarHBondContact O-N 3.15Å; N46-N48 PolarHBondContact O-OD1 3.23Å; N46-N48 VanDerWaalsContact O-OD1 3.1Å |
| 47 | S | 91 | Very high | 92.5 | Very high | 48 Ų | 48 | 100.4 Ų | 100.4 | 34% | 0.336 | 58% | 0.583 | S | S | . | * | S | Bend | trans | 58 | 23 | -174.3 | -55.6 | 0 | 0 | 0 | 0 | 115.4 | G42 G44 | G42-S47 PolarHBondContact N-O 3.07Å; G42-S47 WeakPolarHBondContact O-CA 3.12Å; G44-S47 PolarHBondContact O-N 2.93Å |
| 48 | N | 93.6 | Very high | 92.2 | Very high | 137 Ų | 137 | 102.8 Ų | 102.8 | 73% | 0.733 | 61% | 0.605 | S | S | * | * | trans | -93.5 | 4.4 | -173.7 | -70.9 | -14.5 | 0 | 0 | 0 | 114.3 | N46 | N46-N48 PolarHBondContact O-N 3.15Å; N46-N48 PolarHBondContact O-OD1 3.23Å; N46-N48 VanDerWaalsContact O-OD1 3.1Å | ||
| 49 | G | 95 | Very high | 92 | Very high | 30 Ų | 30 | 107 Ų | 107 | 31% | 0.309 | 62% | 0.619 | S | S | . | * | S | Bend | trans | -65.1 | 166.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | G42 L43 K51 | G42-G49 WeakPolarHBondContact CA-O 2.99Å; L43-G49 VanDerWaalsContact O-CA 3.26Å; L43-G49 WeakPolarHBondContact O-CA 3.29Å; L43-G49 PolarHBondContact O-N 2.62Å; G49-K51 PolarHBondContact O-N 3.12Å |
| 50 | I | 94.9 | Very high | 91.8 | Very high | 127 Ų | 127 | 111.9 Ų | 111.9 | 65% | 0.651 | 63% | 0.631 | S | S | * | * | trans | -56.3 | 130.1 | 173.1 | 58 | 173 | 0 | 0 | 0 | 110.3 | I54 | I50-I54 HydrophobicContact CD1-CD1 4.28Å; I50-I54 HydrophobicContact CD1-CG1 4.23Å | ||
| 51 | K | 93 | Very high | 91.5 | Very high | 165 Ų | 165 | 112.1 Ų | 112.1 | 72% | 0.717 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -87 | -31.5 | -178.5 | -63.2 | 180 | 179.9 | -175.1 | 0 | 112.7 | G40 G49 | G40-K51 WeakPolarHBondContact O-CD 3.48Å; G40-K51 WeakPolarHBondContact O-CE 3.49Å; G49-K51 PolarHBondContact O-N 3.12Å |
| 52 | A | 90.8 | Very high | 91.3 | Very high | 69 Ų | 69 | 113.8 Ų | 113.8 | 57% | 0.57 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -116.4 | 147.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 53 | P | 90.6 | Very high | 90.7 | Very high | 117 Ų | 117 | 117.4 Ų | 117.4 | 76% | 0.76 | 67% | 0.666 | S | S | * | * | trans | -65.1 | 143.2 | 176.2 | 27.9 | -34.3 | 0 | 0 | 0 | 110.8 | K55 | P53-K55 PolarHBondContact O-N 3.19Š| ||
| 54 | I | 93.1 | Very high | 90.3 | Very high | 143 Ų | 143 | 114.6 Ų | 114.6 | 73% | 0.733 | 66% | 0.663 | S | S | * | * | trans | -72.8 | 125.9 | 174.9 | -59 | 171.6 | 0 | 0 | 0 | 108.2 | I50 A56 | I50-I54 HydrophobicContact CD1-CD1 4.28Å; I50-I54 HydrophobicContact CD1-CG1 4.23Å; I54-A56 PolarHBondContact O-N 3.12Å | ||
| 55 | K | 91.1 | Very high | 90 | Very high | 198 Ų | 198 | 120.3 Ų | 120.3 | 86% | 0.861 | 68% | 0.679 | S | S | * | * | trans | -78 | 115.2 | 174.8 | -67.1 | -175.7 | 179.7 | 179.2 | 0 | 109.3 | P53 | P53-K55 PolarHBondContact O-N 3.19Š| ||
| 56 | A | 90 | Very high | 89.6 | Confident | 92 Ų | 92 | 113.9 Ų | 113.9 | 76% | 0.76 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 135.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110 | I54 | I54-A56 PolarHBondContact O-N 3.12Š|
| 57 | S | 87.7 | Confident | 88.8 | Confident | 125 Ų | 125 | 112.7 Ų | 112.7 | 87% | 0.874 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 118.4 | 169.3 | -175 | 0 | 0 | 0 | 0 | 108.5 | ||
| 58 | T | 87.6 | Confident | 88 | Confident | 116 Ų | 116 | 117 Ų | 117 | 71% | 0.712 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 135 | 177.3 | -47.7 | 0 | 0 | 0 | 0 | 110.1 | K60 | T58-K60 PolarHBondContact O-N 3.42Š|
| 59 | Q | 88.1 | Confident | 86.8 | Confident | 121 Ų | 121 | 115 Ų | 115 | 57% | 0.565 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -69 | 125 | 170.7 | -170.9 | -175.9 | -5.5 | 0 | 0 | 109.5 | G61 R63 | Q59-G61 WeakPolarHBondContact CG-O 3.14Å; Q59-G61 PolarHBondContact NE2-O 2.92Å; Q59-R63 PolarHBondContact NE2-O 3.09Å |
| 60 | K | 85.7 | Confident | 85.3 | Confident | 193 Ų | 193 | 117.7 Ų | 117.7 | 84% | 0.839 | 68% | 0.682 | S | S | * | * | trans | -94.9 | 112.8 | 173.3 | -64.6 | -177.5 | -179.1 | 179.6 | 0 | 108.8 | T58 | T58-K60 PolarHBondContact O-N 3.42Š| ||
| 61 | G | 85.9 | Confident | 83.4 | Confident | 63 Ų | 63 | 115.4 Ų | 115.4 | 65% | 0.649 | 67% | 0.667 | S | S | * | * | S | Bend | trans | 68 | -159.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q59 R63 | Q59-G61 WeakPolarHBondContact CG-O 3.14Å; Q59-G61 PolarHBondContact NE2-O 2.92Å; G61-R63 PolarHBondContact O-N 3.21Å; G61-R63 VanDerWaalsContact O-N 3.12Å |
| 62 | T | 87.5 | Confident | 81.7 | Confident | 153 Ų | 153 | 109.1 Ų | 109.1 | 94% | 0.939 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -86.3 | 34.6 | -174.5 | -37.9 | 0 | 0 | 0 | 0 | 113.3 | ||
| 63 | R | 83.3 | Confident | 80.1 | Confident | 79 Ų | 79 | 110 Ų | 110 | 30% | 0.298 | 64% | 0.643 | S | S | . | * | P | Polyproline II helix | trans | -77.7 | 133.9 | -172.6 | -173.4 | 168.2 | 100.1 | 161.1 | 149 | 112.4 | Q59 G61 M67 K68 S69 | Q59-R63 PolarHBondContact NE2-O 3.09Å; G61-R63 PolarHBondContact O-N 3.21Å; G61-R63 VanDerWaalsContact O-N 3.12Å; R63-M67 VanDerWaalsContact CD-CG 3.48Å; R63-M67 HydrophobicContact CG-CB 3.57Å; R63-M67 HydrophobicContact CG-CG 3.39Å; R63-M67 PolarHBondContact NE-O 3.26Å; R63-M67 PolarHBondContact NH1-O 3.44Å; R63-M67 VanDerWaalsContact NH2-C 3.34Å; R63-M67 PolarHBondContact NH2-O 3.33Å; R63-K68 VanDerWaalsContact NH1-C 3.31Å; R63-K68 PolarHBondContact NH2-O 3.46Å; R63-S69 VanDerWaalsContact NH2-CA 3.34Å |
| 64 | G | 86.1 | Confident | 78.7 | Confident | 49 Ų | 49 | 106.3 Ų | 106.3 | 51% | 0.505 | 63% | 0.627 | S | S | . | * | P | Polyproline II helix | trans | -59.6 | 156.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | M67 | G64-M67 WeakPolarHBondContact O-CB 3.02Š|
| 65 | L | 88.3 | Confident | 77.5 | Confident | 176 Ų | 176 | 104.9 Ų | 104.9 | 92% | 0.921 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | 149.9 | 172.8 | -62.3 | 174.8 | 0 | 0 | 0 | 110.8 | M67 | L65-M67 PolarHBondContact O-N 3.23Š|
| 66 | G | 84.2 | Confident | 76.5 | Confident | 77 Ų | 77 | 101 Ų | 101 | 79% | 0.794 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80.3 | -15.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | K68 | G66-K68 PolarHBondContact O-N 3.05Š|
| 67 | M | 76.8 | Confident | 75.9 | Confident | 89 Ų | 89 | 102.4 Ų | 102.4 | 44% | 0.438 | 59% | 0.591 | S | S | . | * | trans | -66 | 118.4 | 173.1 | -145.8 | 46.1 | 166.6 | 0 | 0 | 106.7 | R63 G64 L65 F71 | R63-M67 VanDerWaalsContact CD-CG 3.48Å; R63-M67 HydrophobicContact CG-CB 3.57Å; R63-M67 HydrophobicContact CG-CG 3.39Å; R63-M67 PolarHBondContact NE-O 3.26Å; R63-M67 PolarHBondContact NH1-O 3.44Å; R63-M67 VanDerWaalsContact NH2-C 3.34Å; R63-M67 PolarHBondContact NH2-O 3.33Å; G64-M67 WeakPolarHBondContact O-CB 3.02Å; L65-M67 PolarHBondContact O-N 3.23Å; M67-F71 VanDerWaalsContact CA-CZ 3.48Å; M67-F71 HydrophobicContact CB-CE2 3.49Å; M67-F71 VanDerWaalsContact CB-CE2 3.49Å; M67-F71 HydrophobicContact CB-CZ 3.95Å; M67-F71 HydrophobicContact CE-CD2 4.34Å; M67-F71 HydrophobicContact CE-CE2 4.05Å; M67-F71 HydrophobicContact CE-CZ 4.14Å; M67-F71 HydrophobicContact CG-CD2 3.8Å; M67-F71 HydrophobicContact CG-CE2 3.01Å; M67-F71 HydrophobicContact CG-CZ 3.56Å; M67-F71 HydrophobicContact SD-CD2 3.99Å; M67-F71 HydrophobicContact SD-CE1 3.84Å; M67-F71 HydrophobicContact SD-CE2 3.14Å; M67-F71 WeakPolarHBondContact SD-CE2 3.14Å; M67-F71 HydrophobicContact SD-CZ 3.02Å; M67-F71 WeakPolarHBondContact SD-CZ 3.25Å | ||
| 68 | K | 74.7 | Confident | 75.7 | Confident | 139 Ų | 139 | 101.5 Ų | 101.5 | 60% | 0.604 | 58% | 0.575 | S | S | * | * | trans | -84.6 | 134.1 | -179.8 | -65.9 | -178.4 | -179.2 | 177.5 | 0 | 111.9 | R63 G66 D70 F71 | R63-K68 VanDerWaalsContact NH1-C 3.31Å; R63-K68 PolarHBondContact NH2-O 3.46Å; G66-K68 PolarHBondContact O-N 3.05Å; K68-D70 PolarHBondContact O-N 2.83Å; K68-F71 WeakPolarHBondContact O-CD2 3.42Å; K68-F71 WeakPolarHBondContact O-CE2 3.5Å; K68-F71 PolarHBondContact O-N 3.35Å | ||
| 69 | S | 67.9 | Low | 75.6 | Confident | 93 Ų | 93 | 100.5 Ų | 100.5 | 65% | 0.65 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -50.4 | -29.7 | -169.8 | 44.7 | 0 | 0 | 0 | 0 | 113.9 | R63 F71 | R63-S69 VanDerWaalsContact NH2-CA 3.34Å; S69-F71 PolarHBondContact O-N 2.97Å |
| 70 | D | 63.3 | Low | 75.6 | Confident | 88 Ų | 88 | 101.4 Ų | 101.4 | 47% | 0.471 | 57% | 0.569 | S | S | . | * | trans | -87 | 60.4 | -177.2 | -35 | -25.2 | 0 | 0 | 0 | 109.1 | K68 G72 R76 | K68-D70 PolarHBondContact O-N 2.83Å; D70-G72 PolarHBondContact O-N 3.43Å; D70-R76 IonicContact OD2-CZ 2.83Å; D70-R76 IonicContact OD2-NH2 3.54Å; D70-R76 PolarHBondContact OD2-NH2 2.91Å | ||
| 71 | F | 55.9 | Low | 75.8 | Confident | 79 Ų | 79 | 99.2 Ų | 99.2 | 35% | 0.346 | 56% | 0.557 | S | S | . | * | trans | -79.2 | 63.4 | 165.8 | -80.6 | -53.9 | 0 | 0 | 0 | 110.6 | M67 K68 S69 L73 | M67-F71 VanDerWaalsContact CA-CZ 3.48Å; M67-F71 HydrophobicContact CB-CE2 3.49Å; M67-F71 VanDerWaalsContact CB-CE2 3.49Å; M67-F71 HydrophobicContact CB-CZ 3.95Å; M67-F71 HydrophobicContact CE-CD2 4.34Å; M67-F71 HydrophobicContact CE-CE2 4.05Å; M67-F71 HydrophobicContact CE-CZ 4.14Å; M67-F71 HydrophobicContact CG-CD2 3.8Å; M67-F71 HydrophobicContact CG-CE2 3.01Å; M67-F71 HydrophobicContact CG-CZ 3.56Å; M67-F71 HydrophobicContact SD-CD2 3.99Å; M67-F71 HydrophobicContact SD-CE1 3.84Å; M67-F71 HydrophobicContact SD-CE2 3.14Å; M67-F71 WeakPolarHBondContact SD-CE2 3.14Å; M67-F71 HydrophobicContact SD-CZ 3.02Å; M67-F71 WeakPolarHBondContact SD-CZ 3.25Å; K68-F71 WeakPolarHBondContact O-CD2 3.42Å; K68-F71 WeakPolarHBondContact O-CE2 3.5Å; K68-F71 PolarHBondContact O-N 3.35Å; S69-F71 PolarHBondContact O-N 2.97Å; F71-L73 HydrophobicContact CB-CD1 4.04Å; F71-L73 HydrophobicContact CB-CG 3.74Å; F71-L73 HydrophobicContact CD1-CD1 4Å; F71-L73 HydrophobicContact CD1-CD2 3.11Å; F71-L73 HydrophobicContact CD1-CG 3.3Å; F71-L73 HydrophobicContact CE1-CD2 3.52Å; F71-L73 HydrophobicContact CE1-CG 4.2Å; F71-L73 HydrophobicContact CG-CD1 4.09Å; F71-L73 HydrophobicContact CG-CD2 4.04Å; F71-L73 HydrophobicContact CG-CG 3.76Å; F71-L73 PolarHBondContact O-N 3.18Å | ||
| 72 | G | 57.7 | Low | 76.1 | Confident | 32 Ų | 32 | 97.7 Ų | 97.7 | 33% | 0.33 | 54% | 0.538 | S | S | . | . | trans | -70.6 | 63.8 | 141 | 0 | 0 | 0 | 0 | 0 | 108 | D70 G74 I75 R76 | D70-G72 PolarHBondContact O-N 3.43Å; G72-G74 CarbonylContact O-C 3.49Å; G72-G74 PolarHBondContact O-N 3.12Å; G72-I75 PolarHBondContact O-N 2.68Å; G72-R76 PolarHBondContact O-N 3.14Å | ||
| 73 | L | 56.7 | Low | 76.4 | Confident | 87 Ų | 87 | 92.7 Ų | 92.7 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -51.9 | -29.6 | -177.1 | -81.9 | 162.6 | 0 | 0 | 0 | 111.4 | F71 Q77 | F71-L73 HydrophobicContact CB-CD1 4.04Å; F71-L73 HydrophobicContact CB-CG 3.74Å; F71-L73 HydrophobicContact CD1-CD1 4Å; F71-L73 HydrophobicContact CD1-CD2 3.11Å; F71-L73 HydrophobicContact CD1-CG 3.3Å; F71-L73 HydrophobicContact CE1-CD2 3.52Å; F71-L73 HydrophobicContact CE1-CG 4.2Å; F71-L73 HydrophobicContact CG-CD1 4.09Å; F71-L73 HydrophobicContact CG-CD2 4.04Å; F71-L73 HydrophobicContact CG-CG 3.76Å; F71-L73 PolarHBondContact O-N 3.18Å; L73-Q77 WeakPolarHBondContact O-CG 3.44Å; L73-Q77 PolarHBondContact O-OE1 3.25Å |
| 74 | G | 60.3 | Low | 76.9 | Confident | 41 Ų | 41 | 93.8 Ų | 93.8 | 42% | 0.423 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -72.3 | -55.8 | 169 | 0 | 0 | 0 | 0 | 0 | 113.1 | G72 R76 Q77 I78 | G72-G74 CarbonylContact O-C 3.49Å; G72-G74 PolarHBondContact O-N 3.12Å; G74-R76 PolarHBondContact O-N 3.27Å; G74-Q77 PolarHBondContact O-N 2.95Å; G74-I78 VanDerWaalsContact O-CB 3.24Å; G74-I78 WeakPolarHBondContact O-CB 3.45Å; G74-I78 WeakPolarHBondContact O-CD1 3.08Å; G74-I78 WeakPolarHBondContact O-CG1 3.4Å; G74-I78 PolarHBondContact O-N 3.14Å |
| 75 | I | 69.7 | Low | 77.1 | Confident | 113 Ų | 113 | 95 Ų | 95 | 58% | 0.579 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67 | -46 | -164.5 | -54.3 | 174.4 | 0 | 0 | 0 | 112.4 | G72 Q77 I78 D79 | G72-I75 PolarHBondContact O-N 2.68Å; I75-Q77 PolarHBondContact O-N 3.43Å; I75-I78 PolarHBondContact O-N 3.33Å; I75-D79 WeakPolarHBondContact O-CB 3.17Å; I75-D79 PolarHBondContact O-N 3.41Å |
| 76 | R | 68.8 | Low | 77.4 | Confident | 116 Ų | 116 | 95.1 Ų | 95.1 | 44% | 0.438 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.6 | -40.3 | -178.3 | -72.7 | -170.2 | 173.7 | -179.9 | 7.1 | 112.9 | D70 G72 G74 I78 D79 E80 | D70-R76 IonicContact OD2-CZ 2.83Å; D70-R76 IonicContact OD2-NH2 3.54Å; D70-R76 PolarHBondContact OD2-NH2 2.91Å; G72-R76 PolarHBondContact O-N 3.14Å; G74-R76 PolarHBondContact O-N 3.27Å; R76-I78 VanDerWaalsContact C-N 3.33Å; R76-D79 PolarHBondContact O-N 2.9Å; R76-E80 WeakPolarHBondContact O-CB 3.48Å; R76-E80 WeakPolarHBondContact O-CG 2.93Å; R76-E80 PolarHBondContact O-N 3.4Å |
| 77 | Q | 76.8 | Confident | 77.8 | Confident | 122 Ų | 122 | 98.7 Ų | 98.7 | 57% | 0.57 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.8 | -38.9 | 176.7 | -66.9 | -179 | -11 | 0 | 0 | 110.8 | L73 G74 I75 Y81 | L73-Q77 WeakPolarHBondContact O-CG 3.44Å; L73-Q77 PolarHBondContact O-OE1 3.25Å; G74-Q77 PolarHBondContact O-N 2.95Å; I75-Q77 PolarHBondContact O-N 3.43Å; Q77-Y81 VanDerWaalsContact O-CB 3.25Å; Q77-Y81 WeakPolarHBondContact O-CB 2.96Å; Q77-Y81 PolarHBondContact O-N 3.38Å |
| 78 | I | 84.2 | Confident | 78.6 | Confident | 105 Ų | 105 | 99.2 Ų | 99.2 | 54% | 0.538 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.3 | -43 | 174.3 | -68.6 | 163 | 0 | 0 | 0 | 110.8 | G74 I75 R76 Y81 A82 | G74-I78 VanDerWaalsContact O-CB 3.24Å; G74-I78 WeakPolarHBondContact O-CB 3.45Å; G74-I78 WeakPolarHBondContact O-CD1 3.08Å; G74-I78 WeakPolarHBondContact O-CG1 3.4Å; G74-I78 PolarHBondContact O-N 3.14Å; I75-I78 PolarHBondContact O-N 3.33Å; R76-I78 VanDerWaalsContact C-N 3.33Å; I78-Y81 PolarHBondContact O-N 2.85Å; I78-A82 WeakPolarHBondContact O-CB 3.17Å; I78-A82 PolarHBondContact O-N 3.46Å |
| 79 | D | 86.3 | Confident | 79.4 | Confident | 96 Ų | 96 | 97.2 Ų | 97.2 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.7 | -43.8 | 179 | -71.9 | -19.7 | 0 | 0 | 0 | 111.6 | I75 R76 A82 S83 | I75-D79 WeakPolarHBondContact O-CB 3.17Å; I75-D79 PolarHBondContact O-N 3.41Å; R76-D79 PolarHBondContact O-N 2.9Å; D79-A82 PolarHBondContact O-N 3.46Å; D79-S83 VanDerWaalsContact O-CB 3.32Å; D79-S83 WeakPolarHBondContact O-CB 3Å; D79-S83 PolarHBondContact O-N 2.74Å |
| 80 | E | 87.1 | Confident | 80.4 | Confident | 139 Ų | 139 | 98 Ų | 98 | 65% | 0.65 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -59.7 | -47.1 | 173.5 | -82.8 | 178.8 | 178.4 | 0 | 0 | 110.7 | R76 S83 L84 | R76-E80 WeakPolarHBondContact O-CB 3.48Å; R76-E80 WeakPolarHBondContact O-CG 2.93Å; R76-E80 PolarHBondContact O-N 3.4Å; E80-S83 PolarHBondContact O-N 2.92Å; E80-S83 PolarHBondContact O-OG 3.46Å; E80-L84 PolarHBondContact O-N 3.33Å |
| 81 | Y | 90.3 | Very high | 81.4 | Confident | 147 Ų | 147 | 96.2 Ų | 96.2 | 58% | 0.576 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.6 | -44.9 | 176.5 | 178.2 | -111 | 0 | 0 | 0 | 112.4 | Q77 I78 S83 L84 L85 | Q77-Y81 VanDerWaalsContact O-CB 3.25Å; Q77-Y81 WeakPolarHBondContact O-CB 2.96Å; Q77-Y81 PolarHBondContact O-N 3.38Å; I78-Y81 PolarHBondContact O-N 2.85Å; Y81-S83 VanDerWaalsContact C-N 3.3Å; Y81-S83 PolarHBondContact O-N 3.18Å; Y81-L84 WeakPolarHBondContact O-CB 3.33Å; Y81-L84 PolarHBondContact O-N 3.02Å; Y81-L84 VanDerWaalsContact O-N 3.14Å; Y81-L85 HydrophobicContact CD1-CD1 4.04Å; Y81-L85 HydrophobicContact CD1-CG 4.45Å; Y81-L85 HydrophobicContact CE1-CD1 3.43Å; Y81-L85 VanDerWaalsContact CE1-CD1 3.43Å; Y81-L85 HydrophobicContact CE1-CG 4.04Å; Y81-L85 HydrophobicContact CE2-CD1 4.45Å; Y81-L85 HydrophobicContact CE2-CD2 4.26Å; Y81-L85 HydrophobicContact CE2-CG 4.21Å; Y81-L85 WeakPolarHBondContact O-CG 3.24Å; Y81-L85 PolarHBondContact O-N 2.67Å |
| 82 | A | 91.9 | Very high | 82.6 | Confident | 32 Ų | 32 | 100.3 Ų | 100.3 | 26% | 0.264 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.3 | -38.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | I78 D79 L84 L85 R86 | I78-A82 WeakPolarHBondContact O-CB 3.17Å; I78-A82 PolarHBondContact O-N 3.46Å; D79-A82 PolarHBondContact O-N 3.46Å; A82-L84 VanDerWaalsContact C-N 3.32Å; A82-L84 PolarHBondContact O-N 3.39Å; A82-L85 PolarHBondContact O-N 3.23Å; A82-R86 WeakPolarHBondContact O-CG 3.37Å; A82-R86 PolarHBondContact O-N 3.17Å |
| 83 | S | 93.3 | Very high | 83.4 | Confident | 48 Ų | 48 | 104.1 Ų | 104.1 | 34% | 0.336 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.7 | -39 | 174.7 | 84.7 | 0 | 0 | 0 | 0 | 111.8 | D79 E80 Y81 R86 K87 | D79-S83 VanDerWaalsContact O-CB 3.32Å; D79-S83 WeakPolarHBondContact O-CB 3Å; D79-S83 PolarHBondContact O-N 2.74Å; E80-S83 PolarHBondContact O-N 2.92Å; E80-S83 PolarHBondContact O-OG 3.46Å; Y81-S83 VanDerWaalsContact C-N 3.3Å; Y81-S83 PolarHBondContact O-N 3.18Å; S83-R86 PolarHBondContact O-N 3.47Å; S83-K87 WeakPolarHBondContact O-CG 3.21Å; S83-K87 PolarHBondContact O-N 3.19Å |
| 84 | L | 94 | Very high | 83.8 | Confident | 101 Ų | 101 | 102.9 Ų | 102.9 | 53% | 0.529 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.5 | -44.6 | 176.7 | -178.3 | 146.2 | 0 | 0 | 0 | 110.9 | E80 Y81 A82 R86 K87 L88 | E80-L84 PolarHBondContact O-N 3.33Å; Y81-L84 WeakPolarHBondContact O-CB 3.33Å; Y81-L84 PolarHBondContact O-N 3.02Å; Y81-L84 VanDerWaalsContact O-N 3.14Å; A82-L84 VanDerWaalsContact C-N 3.32Å; A82-L84 PolarHBondContact O-N 3.39Å; L84-R86 VanDerWaalsContact C-N 3.32Å; L84-R86 PolarHBondContact O-N 3.47Å; L84-K87 PolarHBondContact O-N 3.45Å; L84-L88 WeakPolarHBondContact O-CB 3.32Å; L84-L88 PolarHBondContact O-N 3.2Å |
| 85 | L | 92 | Very high | 83.8 | Confident | 75 Ų | 75 | 106.3 Ų | 106.3 | 39% | 0.393 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.5 | -41 | 174.4 | -71 | -177.7 | 0 | 0 | 0 | 112.1 | Y81 A82 L88 N89 | Y81-L85 HydrophobicContact CD1-CD1 4.04Å; Y81-L85 HydrophobicContact CD1-CG 4.45Å; Y81-L85 HydrophobicContact CE1-CD1 3.43Å; Y81-L85 VanDerWaalsContact CE1-CD1 3.43Å; Y81-L85 HydrophobicContact CE1-CG 4.04Å; Y81-L85 HydrophobicContact CE2-CD1 4.45Å; Y81-L85 HydrophobicContact CE2-CD2 4.26Å; Y81-L85 HydrophobicContact CE2-CG 4.21Å; Y81-L85 WeakPolarHBondContact O-CG 3.24Å; Y81-L85 PolarHBondContact O-N 2.67Å; A82-L85 PolarHBondContact O-N 3.23Å; L85-L88 PolarHBondContact O-N 3.42Å; L85-N89 VanDerWaalsContact O-CB 3.3Å; L85-N89 WeakPolarHBondContact O-CB 3.49Å; L85-N89 PolarHBondContact O-N 3.19Å |
| 86 | R | 92.8 | Very high | 83.3 | Confident | 179 Ų | 179 | 106.9 Ų | 106.9 | 68% | 0.675 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.9 | -46.7 | 174.3 | -74.4 | 178.6 | -170.1 | 168.1 | 4.7 | 111.8 | A82 S83 L84 L88 N89 N90 | A82-R86 WeakPolarHBondContact O-CG 3.37Å; A82-R86 PolarHBondContact O-N 3.17Å; S83-R86 PolarHBondContact O-N 3.47Å; L84-R86 VanDerWaalsContact C-N 3.32Å; L84-R86 PolarHBondContact O-N 3.47Å; R86-L88 VanDerWaalsContact C-N 3.31Å; R86-L88 PolarHBondContact O-N 3Å; R86-N89 PolarHBondContact O-N 2.89Å; R86-N90 WeakPolarHBondContact O-CB 3.41Å; R86-N90 PolarHBondContact O-N 3.42Å; R86-N90 PolarHBondContact O-ND2 3.26Å; R86-N90 PolarHBondContact O-OD1 2.66Å |
| 87 | K | 93.7 | Very high | 82.7 | Confident | 151 Ų | 151 | 110.9 Ų | 110.9 | 66% | 0.657 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -57.8 | -45.2 | 176.5 | -74.3 | 173.7 | -178.8 | 178.8 | 0 | 111.3 | S83 L84 N90 S91 | S83-K87 WeakPolarHBondContact O-CG 3.21Å; S83-K87 PolarHBondContact O-N 3.19Å; L84-K87 PolarHBondContact O-N 3.45Å; K87-N90 PolarHBondContact O-N 3.49Å; K87-S91 PolarHBondContact O-N 2.77Å |
| 88 | L | 92.4 | Very high | 81.7 | Confident | 101 Ų | 101 | 110.5 Ų | 110.5 | 53% | 0.529 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.5 | -46.3 | 178.6 | -175.4 | 65.9 | 0 | 0 | 0 | 111.8 | L84 L85 R86 N90 S91 H92 | L84-L88 WeakPolarHBondContact O-CB 3.32Å; L84-L88 PolarHBondContact O-N 3.2Å; L85-L88 PolarHBondContact O-N 3.42Å; R86-L88 VanDerWaalsContact C-N 3.31Å; R86-L88 PolarHBondContact O-N 3Å; L88-N90 VanDerWaalsContact C-N 3.33Å; L88-N90 PolarHBondContact O-N 2.95Å; L88-S91 WeakPolarHBondContact O-CB 3.4Å; L88-S91 PolarHBondContact O-N 2.89Å; L88-H92 PolarHBondContact O-N 2.98Å |
| 89 | N | 91.9 | Very high | 80.4 | Confident | 96 Ų | 96 | 112.1 Ų | 112.1 | 51% | 0.513 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.6 | -40 | 179.1 | -161 | 13 | 0 | 0 | 0 | 111.1 | L85 R86 S91 H92 N93 | L85-N89 VanDerWaalsContact O-CB 3.3Å; L85-N89 WeakPolarHBondContact O-CB 3.49Å; L85-N89 PolarHBondContact O-N 3.19Å; R86-N89 PolarHBondContact O-N 2.89Å; N89-S91 VanDerWaalsContact C-N 3.31Å; N89-S91 PolarHBondContact O-N 3.04Å; N89-H92 PolarHBondContact O-N 2.92Å; N89-N93 PolarHBondContact O-N 3.49Å; N89-N93 VanDerWaalsContact O-N 3.1Å; N89-N93 PolarHBondContact O-ND2 3.48Å; N89-N93 PolarHBondContact OD1-ND2 3.31Å |
| 90 | N | 89.8 | Confident | 79 | Confident | 109 Ų | 109 | 111.4 Ų | 111.4 | 58% | 0.583 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.2 | -41.1 | 174 | -69.1 | -5.6 | 0 | 0 | 0 | 111.4 | R86 K87 L88 H92 N93 S94 | R86-N90 WeakPolarHBondContact O-CB 3.41Å; R86-N90 PolarHBondContact O-N 3.42Å; R86-N90 PolarHBondContact O-ND2 3.26Å; R86-N90 PolarHBondContact O-OD1 2.66Å; K87-N90 PolarHBondContact O-N 3.49Å; L88-N90 VanDerWaalsContact C-N 3.33Å; L88-N90 PolarHBondContact O-N 2.95Å; N90-H92 VanDerWaalsContact C-N 3.33Å; N90-H92 PolarHBondContact O-N 2.8Å; N90-N93 PolarHBondContact O-N 2.89Å; N90-S94 PolarHBondContact O-N 3.38Å; N90-S94 PolarHBondContact O-OG 3.38Å |
| 91 | S | 84.7 | Confident | 77.6 | Confident | 52 Ų | 52 | 108.7 Ų | 108.7 | 36% | 0.364 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.5 | -29.9 | 176.4 | -177 | 0 | 0 | 0 | 0 | 113.6 | K87 L88 N89 I101 | K87-S91 PolarHBondContact O-N 2.77Å; L88-S91 WeakPolarHBondContact O-CB 3.4Å; L88-S91 PolarHBondContact O-N 2.89Å; N89-S91 VanDerWaalsContact C-N 3.31Å; N89-S91 PolarHBondContact O-N 3.04Å; S91-I101 WeakPolarHBondContact OG-CD1 3.3Å |
| 92 | H | 79.5 | Confident | 76 | Confident | 165 Ų | 165 | 106.8 Ų | 106.8 | 76% | 0.764 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -81 | -26 | 177.7 | -169.2 | -81.7 | 0 | 0 | 0 | 112.5 | L88 N89 N90 | L88-H92 PolarHBondContact O-N 2.98Å; N89-H92 PolarHBondContact O-N 2.92Å; N90-H92 VanDerWaalsContact C-N 3.33Å; N90-H92 PolarHBondContact O-N 2.8Å |
| 93 | N | 74.3 | Confident | 74.3 | Confident | 112 Ų | 112 | 113.3 Ų | 113.3 | 60% | 0.599 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -91.7 | -17.1 | 179.6 | -67.3 | -56.5 | 0 | 0 | 0 | 114 | N89 N90 S95 | N89-N93 PolarHBondContact O-N 3.49Å; N89-N93 VanDerWaalsContact O-N 3.1Å; N89-N93 PolarHBondContact O-ND2 3.48Å; N89-N93 PolarHBondContact OD1-ND2 3.31Å; N90-N93 PolarHBondContact O-N 2.89Å; N93-S95 PolarHBondContact O-N 2.76Å |
| 94 | S | 65.3 | Low | 72.5 | Confident | 61 Ų | 61 | 117.8 Ų | 117.8 | 43% | 0.427 | 61% | 0.612 | S | S | . | * | S | Bend | trans | -83.6 | 112.3 | 171.8 | 32.1 | 0 | 0 | 0 | 0 | 108.7 | N90 D96 | N90-S94 PolarHBondContact O-N 3.38Å; N90-S94 PolarHBondContact O-OG 3.38Å; S94-D96 PolarHBondContact O-N 2.98Å |
| 95 | S | 61.1 | Low | 70.5 | Confident | 113 Ų | 113 | 118.3 Ų | 118.3 | 79% | 0.79 | 61% | 0.614 | S | S | * | * | trans | -64.4 | 5.2 | 178.6 | 50.4 | 0 | 0 | 0 | 0 | 114.5 | N93 K97 | N93-S95 PolarHBondContact O-N 2.76Å; S95-K97 PolarHBondContact O-N 2.68Å | ||
| 96 | D | 58.2 | Low | 68.4 | Low | 125 Ų | 125 | 118 Ų | 118 | 67% | 0.668 | 62% | 0.617 | S | S | * | * | trans | -85.3 | 92.6 | 179.5 | -66.3 | -29.7 | 0 | 0 | 0 | 109.4 | S94 T98 | S94-D96 PolarHBondContact O-N 2.98Å; D96-T98 PolarHBondContact O-N 3.49Å | ||
| 97 | K | 58 | Low | 66.3 | Low | 199 Ų | 199 | 116 Ų | 116 | 87% | 0.865 | 62% | 0.617 | S | S | * | * | trans | -64.8 | 68.3 | 169.7 | -61.3 | 177.2 | -176.4 | 174.3 | 0 | 110.4 | S95 | S95-K97 PolarHBondContact O-N 2.68Š| ||
| 98 | T | 55.6 | Low | 64.8 | Low | 114 Ų | 114 | 112.9 Ų | 112.9 | 70% | 0.699 | 61% | 0.614 | S | S | * | * | trans | -127.4 | 100.7 | 165.2 | 60.7 | 0 | 0 | 0 | 0 | 106.3 | D96 P100 | D96-T98 PolarHBondContact O-N 3.49Å; T98-P100 WeakPolarHBondContact O-CD 3.36Å | ||
| 99 | N | 55.7 | Low | 62.8 | Low | 139 Ų | 139 | 117.9 Ų | 117.9 | 74% | 0.743 | 63% | 0.626 | S | S | * | * | trans | -84.7 | 118.2 | -174.6 | -67.3 | -43.2 | 0 | 0 | 0 | 110 | ||||
| 100 | P | 56.6 | Low | 61.1 | Low | 82 Ų | 82 | 121.6 Ų | 121.6 | 53% | 0.532 | 63% | 0.633 | S | S | . | * | trans | -107.8 | 37.2 | 152.3 | 38.9 | -34.4 | 0 | 0 | 0 | 110.5 | T98 Y104 | T98-P100 WeakPolarHBondContact O-CD 3.36Å; P100-Y104 WeakPolarHBondContact O-CE1 3.26Å; P100-Y104 PolarHBondContact O-OH 3.28Å | ||
| 101 | I | 58.5 | Low | 59.3 | Low | 81 Ų | 81 | 122.2 Ų | 122.2 | 42% | 0.415 | 65% | 0.646 | S | S | . | * | trans | -103.5 | 39.1 | -179.5 | -42.7 | -178.7 | 0 | 0 | 0 | 111.6 | S91 Y104 | S91-I101 WeakPolarHBondContact OG-CD1 3.3Å; I101-Y104 WeakPolarHBondContact CA-OH 3.4Å; I101-Y104 WeakPolarHBondContact CG1-OH 3.33Å; I101-Y104 HydrophobicContact CG2-CE2 3.93Å | ||
| 102 | S | 57.2 | Low | 58 | Low | 107 Ų | 107 | 123.2 Ų | 123.2 | 75% | 0.748 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -118 | -5.5 | 169.6 | 58.5 | 0 | 0 | 0 | 0 | 113.5 | ||
| 103 | E | 56.3 | Low | 57 | Low | 170 Ų | 170 | 123.3 Ų | 123.3 | 79% | 0.794 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -97.1 | -4.2 | -167.9 | -92.4 | -176.7 | 156 | 0 | 0 | 116.8 | ||
| 104 | Y | 55.4 | Low | 56.5 | Low | 142 Ų | 142 | 127.8 Ų | 127.8 | 56% | 0.557 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -135.4 | 17.3 | -168.3 | 31.4 | -95.6 | 0 | 0 | 0 | 116.8 | P100 I101 | P100-Y104 WeakPolarHBondContact O-CE1 3.26Å; P100-Y104 PolarHBondContact O-OH 3.28Å; I101-Y104 WeakPolarHBondContact CA-OH 3.4Å; I101-Y104 WeakPolarHBondContact CG1-OH 3.33Å; I101-Y104 HydrophobicContact CG2-CE2 3.93Å |
| 105 | L | 52.4 | Low | 56.2 | Low | 111 Ų | 111 | 128.8 Ų | 128.8 | 58% | 0.581 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -108.6 | 120.9 | 170 | -62.8 | -179 | 0 | 0 | 0 | 110.5 | M107 | L105-M107 PolarHBondContact O-N 2.82Š|
| 106 | P | 48 | Very low | 55.9 | Low | 69 Ų | 69 | 131.4 Ų | 131.4 | 45% | 0.448 | 69% | 0.689 | S | S | . | * | trans | -61.5 | 125.9 | 175.2 | 25.8 | -32.1 | 0 | 0 | 0 | 109.1 | S108 W109 | P106-S108 PolarHBondContact O-N 3.39Å; P106-W109 HydrophobicContact CG-CE3 3.77Å; P106-W109 HydrophobicContact CG-CH2 3.77Å; P106-W109 HydrophobicContact CG-CZ3 3.35Å | ||
| 107 | M | 47.9 | Very low | 55.9 | Low | 137 Ų | 137 | 131.2 Ų | 131.2 | 68% | 0.675 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -61.8 | -6.1 | -174.8 | -148.7 | 110.6 | -64.1 | 0 | 0 | 113.7 | L105 W109 | L105-M107 PolarHBondContact O-N 2.82Å; M107-W109 PolarHBondContact O-N 2.96Å |
| 108 | S | 62 | Low | 56 | Low | 86 Ų | 86 | 125 Ų | 125 | 60% | 0.601 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -75.4 | -14.7 | -171.5 | 57.2 | 0 | 0 | 0 | 0 | 115.5 | P106 | P106-S108 PolarHBondContact O-N 3.39Š|
| 109 | W | 51.6 | Low | 56.6 | Low | 206 Ų | 206 | 128.7 Ų | 128.7 | 78% | 0.78 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -96.2 | 2.2 | -178.3 | -64.2 | -47.6 | 0 | 0 | 0 | 115.2 | P106 M107 | P106-W109 HydrophobicContact CG-CE3 3.77Å; P106-W109 HydrophobicContact CG-CH2 3.77Å; P106-W109 HydrophobicContact CG-CZ3 3.35Å; M107-W109 PolarHBondContact O-N 2.96Å |
| 110 | R | 54.3 | Low | 57.4 | Low | 174 Ų | 174 | 125.5 Ų | 125.5 | 66% | 0.657 | 66% | 0.659 | S | S | * | * | trans | -100.9 | 18.2 | -179.5 | -64.7 | -143.9 | -67.9 | -103.6 | 3.1 | 115.1 | G112 | R110-G112 PolarHBondContact O-N 3.43Å; R110-G112 VanDerWaalsContact O-N 3.08Å | ||
| 111 | S | 52.5 | Low | 58.2 | Low | 122 Ų | 122 | 124.6 Ų | 124.6 | 85% | 0.853 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -78.5 | 85 | 169.9 | 174.3 | 0 | 0 | 0 | 0 | 110.2 | ||
| 112 | G | 58 | Low | 59.1 | Low | 72 Ų | 72 | 125.4 Ų | 125.4 | 74% | 0.742 | 67% | 0.671 | S | S | * | * | S | Bend | trans | 152.1 | -13.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | R110 | R110-G112 PolarHBondContact O-N 3.43Å; R110-G112 VanDerWaalsContact O-N 3.08Å |
| 113 | M | 59.2 | Low | 60 | Low | 168 Ų | 168 | 126.9 Ų | 126.9 | 83% | 0.828 | 66% | 0.664 | S | S | * | * | trans | -105.2 | 98.3 | -178.3 | -67.6 | 177.5 | 75.5 | 0 | 0 | 110.6 | T115 | M113-T115 VanDerWaalsContact C-N 3.27Å; M113-T115 PolarHBondContact O-N 3.38Å | ||
| 114 | K | 62.8 | Low | 61.3 | Low | 205 Ų | 205 | 124.2 Ų | 124.2 | 89% | 0.891 | 65% | 0.648 | S | S | * | * | trans | -72.4 | 87.6 | 162.5 | -61.7 | 179 | -175.8 | 179.4 | 0 | 107 | L116 | K114-L116 PolarHBondContact O-N 3.29Š| ||
| 115 | T | 58.8 | Low | 62.7 | Low | 83 Ų | 83 | 119.3 Ų | 119.3 | 51% | 0.509 | 64% | 0.641 | S | S | . | * | trans | -56.1 | 134.6 | 171.2 | 26.8 | 0 | 0 | 0 | 0 | 109 | M113 E117 A118 | M113-T115 VanDerWaalsContact C-N 3.27Å; M113-T115 PolarHBondContact O-N 3.38Å; T115-E117 PolarHBondContact O-N 2.97Å; T115-A118 WeakPolarHBondContact O-CB 3.46Å; T115-A118 PolarHBondContact O-N 3.48Å | ||
| 116 | L | 54.9 | Low | 64.3 | Low | 168 Ų | 168 | 122.4 Ų | 122.4 | 88% | 0.88 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -55.9 | -18.9 | 175.4 | -75.2 | 162.4 | 0 | 0 | 0 | 112.5 | K114 A118 | K114-L116 PolarHBondContact O-N 3.29Å; L116-A118 VanDerWaalsContact C-N 3.26Å; L116-A118 PolarHBondContact O-N 2.85Å |
| 117 | E | 57.6 | Low | 66 | Low | 120 Ų | 120 | 126 Ų | 126 | 56% | 0.561 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -64.7 | -21 | 172.2 | -74.9 | -165.1 | 117.5 | 0 | 0 | 114.9 | T115 K119 K123 | T115-E117 PolarHBondContact O-N 2.97Å; E117-K119 PolarHBondContact O-N 3.45Å; E117-K123 IonicContact OE1-NZ 3.09Å; E117-K123 PolarHBondContact OE1-NZ 3.06Å; E117-K123 VanDerWaalsContact OE1-NZ 3.09Å |
| 118 | A | 61.1 | Low | 67.8 | Low | 69 Ų | 69 | 123.6 Ų | 123.6 | 57% | 0.57 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -70.3 | -1.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | T115 L116 | T115-A118 WeakPolarHBondContact O-CB 3.46Å; T115-A118 PolarHBondContact O-N 3.48Å; L116-A118 VanDerWaalsContact C-N 3.26Å; L116-A118 PolarHBondContact O-N 2.85Å |
| 119 | K | 68.7 | Low | 68.8 | Low | 191 Ų | 191 | 121.8 Ų | 121.8 | 83% | 0.83 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -112.7 | -11.7 | -176.8 | -67.4 | -170.9 | 175.1 | -175.7 | 0 | 115 | E117 A121 | E117-K119 PolarHBondContact O-N 3.45Å; K119-A121 PolarHBondContact O-N 3.22Å |
| 120 | D | 71 | Confident | 70.4 | Confident | 72 Ų | 72 | 113.9 Ų | 113.9 | 39% | 0.385 | 61% | 0.612 | S | S | . | * | trans | -90.4 | 96.9 | -177.1 | -168.6 | -2 | 0 | 0 | 0 | 110.7 | S122 Y124 | D120-S122 PolarHBondContact O-N 2.94Å; D120-S122 VanDerWaalsContact OD1-CB 3.3Å; D120-S122 WeakPolarHBondContact OD1-CB 3.35Å; D120-S122 PolarHBondContact OD1-N 3.43Å; D120-S122 VanDerWaalsContact OD1-N 3.16Å; D120-S122 PolarHBondContact OD1-OG 3.1Å; D120-S122 PolarHBondContact OD2-OG 2.78Å; D120-Y124 WeakPolarHBondContact O-CE2 3.34Å | ||
| 121 | A | 73.8 | Confident | 71.6 | Confident | 63 Ų | 63 | 111.8 Ų | 111.8 | 52% | 0.521 | 61% | 0.612 | S | S | . | * | G | 310 helix | trans | -68.4 | -13 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | K119 K123 | K119-A121 PolarHBondContact O-N 3.22Å; A121-K123 VanDerWaalsContact C-N 3.27Å; A121-K123 PolarHBondContact O-N 2.99Å |
| 122 | S | 78.3 | Confident | 73.1 | Confident | 98 Ų | 98 | 111.6 Ų | 111.6 | 69% | 0.685 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -71.4 | -19 | -176.2 | 71.1 | 0 | 0 | 0 | 0 | 114.2 | D120 | D120-S122 PolarHBondContact O-N 2.94Å; D120-S122 VanDerWaalsContact OD1-CB 3.3Å; D120-S122 WeakPolarHBondContact OD1-CB 3.35Å; D120-S122 PolarHBondContact OD1-N 3.43Å; D120-S122 VanDerWaalsContact OD1-N 3.16Å; D120-S122 PolarHBondContact OD1-OG 3.1Å; D120-S122 PolarHBondContact OD2-OG 2.78Å |
| 123 | K | 76.4 | Confident | 74.3 | Confident | 139 Ų | 139 | 113.3 Ų | 113.3 | 60% | 0.604 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -89 | -14.4 | -177.4 | -62.9 | -171.3 | -176.7 | -174.4 | 0 | 114.2 | E117 A121 | E117-K123 IonicContact OE1-NZ 3.09Å; E117-K123 PolarHBondContact OE1-NZ 3.06Å; E117-K123 VanDerWaalsContact OE1-NZ 3.09Å; A121-K123 VanDerWaalsContact C-N 3.27Å; A121-K123 PolarHBondContact O-N 2.99Å |
| 124 | Y | 82.8 | Confident | 75.1 | Confident | 114 Ų | 114 | 108 Ų | 108 | 45% | 0.447 | 59% | 0.586 | S | S | . | * | S | Bend | trans | -84.9 | 136.1 | -177.6 | -64.8 | -83.1 | 0 | 0 | 0 | 110.6 | D120 L129 | D120-Y124 WeakPolarHBondContact O-CE2 3.34Å; Y124-L129 HydrophobicContact CG-CD2 4.33Å |
| 125 | G | 85.3 | Confident | 75.7 | Confident | 39 Ų | 39 | 104 Ų | 104 | 40% | 0.402 | 57% | 0.57 | S | S | . | * | trans | -64.7 | 155.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q127 D128 L129 | G125-Q127 PolarHBondContact O-N 2.64Å; G125-Q127 VanDerWaalsContact O-N 3.15Å; G125-D128 PolarHBondContact O-N 2.96Å; G125-D128 VanDerWaalsContact O-N 3.07Å; G125-L129 WeakPolarHBondContact O-CG 3.5Å; G125-L129 PolarHBondContact O-N 2.92Å | ||
| 126 | Q | 85.9 | Confident | 75.7 | Confident | 175 Ų | 175 | 106.6 Ų | 106.6 | 82% | 0.818 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -60.9 | -28 | -178.5 | -170.1 | 159.2 | 6.6 | 0 | 0 | 113 | S130 | Q126-S130 WeakPolarHBondContact O-CB 3.4Å; Q126-S130 PolarHBondContact O-N 3.37Å |
| 127 | Q | 82.8 | Confident | 75.9 | Confident | 145 Ų | 145 | 105.5 Ų | 105.5 | 68% | 0.678 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -66.9 | -50 | 172.6 | -66.4 | 176.9 | -2.2 | 0 | 0 | 111.4 | G125 L129 S130 I131 | G125-Q127 PolarHBondContact O-N 2.64Å; G125-Q127 VanDerWaalsContact O-N 3.15Å; Q127-L129 VanDerWaalsContact C-N 3.34Å; Q127-L129 PolarHBondContact O-N 3.38Å; Q127-S130 WeakPolarHBondContact O-CB 3.39Å; Q127-S130 PolarHBondContact O-N 3.44Å; Q127-S130 VanDerWaalsContact O-N 3.09Å; Q127-S130 PolarHBondContact O-OG 3.48Å; Q127-I131 WeakPolarHBondContact O-CG1 2.84Å; Q127-I131 PolarHBondContact O-N 3.33Å; Q127-I131 VanDerWaalsContact O-N 3.14Å |
| 128 | D | 85.3 | Confident | 75.7 | Confident | 87 Ų | 87 | 105.3 Ų | 105.3 | 47% | 0.465 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62.9 | -42.1 | 178.3 | -64.8 | -22 | 0 | 0 | 0 | 111.7 | G125 S130 I131 V132 | G125-D128 PolarHBondContact O-N 2.96Å; G125-D128 VanDerWaalsContact O-N 3.07Å; D128-S130 VanDerWaalsContact C-N 3.29Å; D128-S130 PolarHBondContact O-N 3.13Å; D128-I131 PolarHBondContact O-N 2.94Å; D128-V132 WeakPolarHBondContact O-CG2 3.39Å; D128-V132 PolarHBondContact O-N 2.91Å |
| 129 | L | 84.8 | Confident | 75.3 | Confident | 48 Ų | 48 | 109.7 Ų | 109.7 | 25% | 0.251 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -61 | -38.2 | 173.6 | -69.8 | 175.9 | 0 | 0 | 0 | 111.6 | Y124 G125 Q127 I131 V132 L133 | Y124-L129 HydrophobicContact CG-CD2 4.33Å; G125-L129 WeakPolarHBondContact O-CG 3.5Å; G125-L129 PolarHBondContact O-N 2.92Å; Q127-L129 VanDerWaalsContact C-N 3.34Å; Q127-L129 PolarHBondContact O-N 3.38Å; L129-I131 VanDerWaalsContact C-N 3.32Å; L129-I131 PolarHBondContact O-N 3.14Å; L129-V132 PolarHBondContact O-N 3.38Å; L129-L133 HydrophobicContact CB-CD1 4.15Å; L129-L133 WeakPolarHBondContact O-CB 3.18Å; L129-L133 WeakPolarHBondContact O-CD1 3.43Å; L129-L133 WeakPolarHBondContact O-CG 3.41Å; L129-L133 PolarHBondContact O-N 3.18Å |
| 130 | S | 83.2 | Confident | 74.3 | Confident | 39 Ų | 39 | 108.3 Ų | 108.3 | 27% | 0.273 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.7 | -35.9 | 177 | 75.6 | 0 | 0 | 0 | 0 | 112.9 | Q126 Q127 D128 G134 H135 | Q126-S130 WeakPolarHBondContact O-CB 3.4Å; Q126-S130 PolarHBondContact O-N 3.37Å; Q127-S130 WeakPolarHBondContact O-CB 3.39Å; Q127-S130 PolarHBondContact O-N 3.44Å; Q127-S130 VanDerWaalsContact O-N 3.09Å; Q127-S130 PolarHBondContact O-OG 3.48Å; D128-S130 VanDerWaalsContact C-N 3.29Å; D128-S130 PolarHBondContact O-N 3.13Å; S130-G134 PolarHBondContact O-N 2.98Å; S130-G134 VanDerWaalsContact O-N 3.15Å; S130-H135 PolarHBondContact O-N 3.11Å; S130-H135 VanDerWaalsContact O-N 3.07Å |
| 131 | I | 79.6 | Confident | 73.3 | Confident | 130 Ų | 130 | 113.3 Ų | 113.3 | 67% | 0.667 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -68.2 | -48.5 | 176.5 | -63.6 | 166.5 | 0 | 0 | 0 | 110.3 | Q127 D128 L129 | Q127-I131 WeakPolarHBondContact O-CG1 2.84Å; Q127-I131 PolarHBondContact O-N 3.33Å; Q127-I131 VanDerWaalsContact O-N 3.14Å; D128-I131 PolarHBondContact O-N 2.94Å; L129-I131 VanDerWaalsContact C-N 3.32Å; L129-I131 PolarHBondContact O-N 3.14Å |
| 132 | V | 83.9 | Confident | 71.9 | Confident | 118 Ų | 118 | 117.7 Ų | 117.7 | 72% | 0.715 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -70.2 | -41.5 | -177.4 | 175.4 | 0 | 0 | 0 | 0 | 111.9 | D128 L129 G134 | D128-V132 WeakPolarHBondContact O-CG2 3.39Å; D128-V132 PolarHBondContact O-N 2.91Å; L129-V132 PolarHBondContact O-N 3.38Å; V132-G134 VanDerWaalsContact C-N 3.26Å; V132-G134 PolarHBondContact O-N 3.1Å |
| 133 | L | 84.3 | Confident | 70.5 | Confident | 109 Ų | 109 | 123 Ų | 123 | 57% | 0.571 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | 2.6 | -177.5 | -59.6 | 169.1 | 0 | 0 | 0 | 112.7 | L129 H135 | L129-L133 HydrophobicContact CB-CD1 4.15Å; L129-L133 WeakPolarHBondContact O-CB 3.18Å; L129-L133 WeakPolarHBondContact O-CD1 3.43Å; L129-L133 WeakPolarHBondContact O-CG 3.41Å; L129-L133 PolarHBondContact O-N 3.18Å; L133-H135 VanDerWaalsContact CB-ND1 3.3Å; L133-H135 WeakPolarHBondContact CB-ND1 3.16Å; L133-H135 PolarHBondContact O-N 3.24Å; L133-H135 VanDerWaalsContact O-N 3.08Å; L133-H135 PolarHBondContact O-ND1 3.44Å |
| 134 | G | 76 | Confident | 68.7 | Low | 56 Ų | 56 | 122.7 Ų | 122.7 | 58% | 0.577 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 58.5 | 24.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | S130 V132 T136 | S130-G134 PolarHBondContact O-N 2.98Å; S130-G134 VanDerWaalsContact O-N 3.15Å; V132-G134 VanDerWaalsContact C-N 3.26Å; V132-G134 PolarHBondContact O-N 3.1Å; G134-T136 PolarHBondContact O-N 2.94Å |
| 135 | H | 75.5 | Confident | 66.6 | Low | 122 Ų | 122 | 121.8 Ų | 121.8 | 57% | 0.565 | 65% | 0.651 | S | S | * | * | trans | -75.9 | 102 | 175.8 | -74 | 59.5 | 0 | 0 | 0 | 107.6 | S130 L133 Q137 | S130-H135 PolarHBondContact O-N 3.11Å; S130-H135 VanDerWaalsContact O-N 3.07Å; L133-H135 VanDerWaalsContact CB-ND1 3.3Å; L133-H135 WeakPolarHBondContact CB-ND1 3.16Å; L133-H135 PolarHBondContact O-N 3.24Å; L133-H135 VanDerWaalsContact O-N 3.08Å; L133-H135 PolarHBondContact O-ND1 3.44Å; H135-Q137 PolarHBondContact O-N 3.24Å | ||
| 136 | T | 58.2 | Low | 64.6 | Low | 137 Ų | 137 | 125 Ų | 125 | 84% | 0.84 | 67% | 0.667 | S | S | * | * | trans | -69.6 | 75.7 | 172.1 | 55.6 | 0 | 0 | 0 | 0 | 109.3 | G134 | G134-T136 PolarHBondContact O-N 2.94Š| ||
| 137 | Q | 59.3 | Low | 62.3 | Low | 145 Ų | 145 | 121.5 Ų | 121.5 | 68% | 0.678 | 66% | 0.66 | S | S | * | * | trans | -78.8 | 122.3 | 161.8 | -73.3 | -67.8 | -13.8 | 0 | 0 | 107.1 | H135 F139 | H135-Q137 PolarHBondContact O-N 3.24Å; Q137-F139 PolarHBondContact O-N 3.13Å | ||
| 138 | P | 53.5 | Low | 60.2 | Low | 115 Ų | 115 | 122.1 Ų | 122.1 | 75% | 0.747 | 67% | 0.668 | S | S | * | * | trans | -75.3 | 70.1 | 175.5 | 33.3 | -33.3 | 0 | 0 | 0 | 108.4 | L140 | P138-L140 PolarHBondContact O-N 3.46Å; P138-L140 VanDerWaalsContact O-N 3.12Å | ||
| 139 | F | 52.2 | Low | 57.9 | Low | 161 Ų | 161 | 122.4 Ų | 122.4 | 71% | 0.706 | 68% | 0.683 | S | S | * | * | trans | -86.6 | 55.1 | 167.3 | -162 | -95.9 | 0 | 0 | 0 | 109.5 | Q137 K141 | Q137-F139 PolarHBondContact O-N 3.13Å; F139-K141 VanDerWaalsContact C-N 3.34Å | ||
| 140 | L | 48.1 | Very low | 56.1 | Low | 163 Ų | 163 | 125.4 Ų | 125.4 | 85% | 0.853 | 71% | 0.707 | S | S | * | * | trans | -94.7 | 76.6 | 154.3 | -69.3 | 180 | 0 | 0 | 0 | 106.6 | P138 E142 | P138-L140 PolarHBondContact O-N 3.46Å; P138-L140 VanDerWaalsContact O-N 3.12Å; L140-E142 VanDerWaalsContact C-N 3.25Å; L140-E142 PolarHBondContact O-N 3.1Å | ||
| 141 | K | 50.7 | Low | 54 | Low | 176 Ų | 176 | 128.3 Ų | 128.3 | 77% | 0.765 | 73% | 0.734 | S | S | * | * | trans | -78.1 | 93.1 | 149.9 | -109.8 | 179.9 | 179.2 | 179.2 | 0 | 106.1 | F139 K143 | F139-K141 VanDerWaalsContact C-N 3.34Å; K141-K143 PolarHBondContact O-N 3.11Å | ||
| 142 | E | 44.5 | Very low | 52.4 | Low | 156 Ų | 156 | 130.9 Ų | 130.9 | 73% | 0.729 | 74% | 0.743 | S | S | * | * | trans | -33 | 108.9 | 158.7 | -89.3 | 173.9 | 146 | 0 | 0 | 110.6 | L140 I144 | L140-E142 VanDerWaalsContact C-N 3.25Å; L140-E142 PolarHBondContact O-N 3.1Å; E142-I144 HydrophobicContact CB-CD1 4.15Å; E142-I144 HydrophobicContact CB-CG1 3.98Å; E142-I144 HydrophobicContact CG-CD1 3.89Å; E142-I144 HydrophobicContact CG-CG1 4.03Å; E142-I144 PolarHBondContact O-N 3.26Å; E142-I144 WeakPolarHBondContact OE1-CD1 3.34Å | ||
| 143 | K | 47.9 | Very low | 50.5 | Low | 210 Ų | 210 | 135 Ų | 135 | 91% | 0.913 | 75% | 0.751 | S | S | * | * | trans | -81.6 | 74.6 | 150.2 | -78.1 | -168.7 | 175 | -174.6 | 0 | 107.3 | K141 A145 | K141-K143 PolarHBondContact O-N 3.11Å; K143-A145 PolarHBondContact O-N 3.1Å | ||
| 144 | I | 39.6 | Very low | 48.9 | Very low | 131 Ų | 131 | 134 Ų | 134 | 67% | 0.672 | 75% | 0.753 | S | S | * | * | trans | -82.7 | 97.2 | 158.3 | -66.1 | 170.8 | 0 | 0 | 0 | 106.5 | E142 | E142-I144 HydrophobicContact CB-CD1 4.15Å; E142-I144 HydrophobicContact CB-CG1 3.98Å; E142-I144 HydrophobicContact CG-CD1 3.89Å; E142-I144 HydrophobicContact CG-CG1 4.03Å; E142-I144 PolarHBondContact O-N 3.26Å; E142-I144 WeakPolarHBondContact OE1-CD1 3.34Å | ||
| 145 | A | 38.8 | Very low | 47.2 | Very low | 95 Ų | 95 | 139 Ų | 139 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | 176.7 | 121 | 159.9 | 0 | 0 | 0 | 0 | 0 | 105.4 | K143 | K143-A145 PolarHBondContact O-N 3.1Š| ||
| 146 | S | 43.1 | Very low | 45.8 | Very low | 107 Ų | 107 | 139.2 Ų | 139.2 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | cis | -158.7 | 148.6 | 16.9 | 174 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 147 | P | 37.2 | Very low | 45.8 | Very low | 101 Ų | 101 | 140.4 Ų | 140.4 | 66% | 0.656 | 78% | 0.776 | S | S | * | * | trans | -69.1 | 156.5 | 170.8 | 32.6 | -33.1 | 0 | 0 | 0 | 109.2 | ||||
| 148 | N | 38.7 | Very low | 46 | Very low | 158 Ų | 158 | 140.3 Ų | 140.3 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | trans | 99.7 | 90.3 | 175.9 | -47.8 | -23.5 | 0 | 0 | 0 | 115.1 | ||||
| 149 | A | 36.5 | Very low | 46.8 | Very low | 94 Ų | 94 | 140.4 Ų | 140.4 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | trans | -176.7 | 115.7 | 136.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 150 | S | 46.5 | Very low | 47.6 | Very low | 110 Ų | 110 | 138.3 Ų | 138.3 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | trans | 36.8 | 115.2 | 148.6 | 54.3 | 0 | 0 | 0 | 0 | 121.2 | E152 | S150-E152 PolarHBondContact O-N 3.32Š| ||
| 151 | A | 39.2 | Very low | 49 | Very low | 100 Ų | 100 | 136.9 Ų | 136.9 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | trans | -61.3 | 115.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 152 | E | 46.2 | Very low | 50.4 | Low | 185 Ų | 185 | 135.9 Ų | 135.9 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | trans | -111 | 120.6 | 159.7 | -68.4 | -164.3 | 168.5 | 0 | 0 | 109.4 | S150 S154 | S150-E152 PolarHBondContact O-N 3.32Å; E152-S154 PolarHBondContact O-N 3.38Å | ||
| 153 | K | 44.9 | Very low | 52.1 | Low | 205 Ų | 205 | 131.3 Ų | 131.3 | 89% | 0.891 | 77% | 0.765 | S | S | * | * | trans | -80.5 | 103.2 | -177.1 | -65.3 | 175.6 | -179.8 | 176.1 | 0 | 108.5 | D155 | K153-D155 PolarHBondContact O-N 3.28Š| ||
| 154 | S | 50.9 | Low | 53.8 | Low | 87 Ų | 87 | 127.7 Ų | 127.7 | 61% | 0.608 | 76% | 0.763 | S | S | * | * | trans | -79.7 | 114 | 163.1 | 53 | 0 | 0 | 0 | 0 | 109.4 | E152 C156 | E152-S154 PolarHBondContact O-N 3.38Å; S154-C156 VanDerWaalsContact C-N 3.31Å; S154-C156 PolarHBondContact O-N 2.96Å | ||
| 155 | D | 40.6 | Very low | 55.9 | Low | 161 Ų | 161 | 124.2 Ų | 124.2 | 86% | 0.861 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -75.6 | 73.6 | -174.7 | -168 | 19.3 | 0 | 0 | 0 | 110.8 | K153 | K153-D155 PolarHBondContact O-N 3.28Š|
| 156 | C | 46 | Very low | 58.1 | Low | 127 Ų | 127 | 123.1 Ų | 123.1 | 86% | 0.858 | 73% | 0.732 | S | S | * | * | trans | -161.7 | 37.7 | 168.2 | -86.7 | 0 | 0 | 0 | 0 | 110.6 | S154 | S154-C156 VanDerWaalsContact C-N 3.31Å; S154-C156 PolarHBondContact O-N 2.96Å | ||
| 157 | Q | 57.5 | Low | 60.1 | Low | 161 Ų | 161 | 122.9 Ų | 122.9 | 75% | 0.752 | 73% | 0.725 | S | S | * | * | trans | -101.1 | 100 | 177.6 | -74.4 | 176 | 11 | 0 | 0 | 109.7 | P159 | Q157-P159 VanDerWaalsContact O-CD 3.29Å; Q157-P159 WeakPolarHBondContact O-CD 3.35Å | ||
| 158 | I | 63.4 | Low | 62.6 | Low | 143 Ų | 143 | 122.1 Ų | 122.1 | 73% | 0.733 | 72% | 0.723 | S | S | * | * | trans | -63.5 | 117.2 | 166 | -58 | 167.5 | 0 | 0 | 0 | 106.4 | T160 | I158-T160 PolarHBondContact O-N 3.29Å; I158-T160 PolarHBondContact O-OG1 2.76Å | ||
| 159 | P | 69.8 | Low | 65 | Low | 117 Ų | 117 | 119.6 Ų | 119.6 | 76% | 0.76 | 71% | 0.706 | S | S | * | * | trans | -63.8 | 100.5 | 177.3 | 25.8 | -32.5 | 0 | 0 | 0 | 108.5 | Q157 V161 | Q157-P159 VanDerWaalsContact O-CD 3.29Å; Q157-P159 WeakPolarHBondContact O-CD 3.35Å; P159-V161 PolarHBondContact O-N 3.13Å | ||
| 160 | T | 70.6 | Confident | 67.5 | Low | 118 Ų | 118 | 121.3 Ų | 121.3 | 72% | 0.724 | 69% | 0.693 | S | S | * | * | trans | -87.2 | 108.6 | 177.6 | -57.4 | 0 | 0 | 0 | 0 | 107.9 | I158 I162 | I158-T160 PolarHBondContact O-N 3.29Å; I158-T160 PolarHBondContact O-OG1 2.76Å; T160-I162 PolarHBondContact O-N 3.17Å | ||
| 161 | V | 76.2 | Confident | 69.6 | Low | 132 Ų | 132 | 121.7 Ų | 121.7 | 80% | 0.8 | 68% | 0.681 | S | S | * | * | trans | -84.9 | 107.8 | 173.2 | 179.5 | 0 | 0 | 0 | 0 | 108.2 | P159 S163 | P159-V161 PolarHBondContact O-N 3.13Å; V161-S163 PolarHBondContact O-N 3.26Å | ||
| 162 | I | 79.4 | Confident | 71.9 | Confident | 155 Ų | 155 | 119.3 Ų | 119.3 | 80% | 0.795 | 66% | 0.662 | S | S | * | * | trans | -77.5 | 105.4 | 173 | -56.6 | 174 | 0 | 0 | 0 | 107.6 | T160 | T160-I162 PolarHBondContact O-N 3.17Š| ||
| 163 | S | 80.2 | Confident | 73.9 | Confident | 60 Ų | 60 | 115.4 Ų | 115.4 | 42% | 0.42 | 64% | 0.642 | S | S | . | * | trans | -77 | 138.9 | 170.2 | 66.6 | 0 | 0 | 0 | 0 | 110.1 | V161 L165 | V161-S163 PolarHBondContact O-N 3.26Å; S163-L165 PolarHBondContact O-N 3.1Å | ||
| 164 | P | 84.3 | Confident | 75.9 | Confident | 135 Ų | 135 | 107.9 Ų | 107.9 | 88% | 0.877 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -71 | 2.4 | 179.3 | 30.6 | -37 | 0 | 0 | 0 | 114.2 | ||
| 165 | L | 83.2 | Confident | 77.6 | Confident | 58 Ų | 58 | 111.8 Ų | 111.8 | 30% | 0.304 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -83.1 | 138 | -174.5 | -60.7 | 175 | 0 | 0 | 0 | 111 | S163 E169 K173 | S163-L165 PolarHBondContact O-N 3.1Å; L165-E169 HydrophobicContact CD2-CG 4.39Å; L165-E169 WeakPolarHBondContact CD2-OE2 3.41Å; L165-K173 HydrophobicContact CD1-CD 4.24Å |
| 166 | S | 85.8 | Confident | 79.7 | Confident | 71 Ų | 71 | 112.9 Ų | 112.9 | 50% | 0.497 | 62% | 0.62 | S | S | . | * | trans | -61.2 | 149.7 | 167.6 | 176.5 | 0 | 0 | 0 | 0 | 110.5 | S168 E169 Y170 | S166-S168 PolarHBondContact O-N 3.23Å; S166-S168 PolarHBondContact OG-OG 2.96Å; S166-E169 WeakPolarHBondContact O-CB 3.42Å; S166-E169 PolarHBondContact O-N 3.43Å; S166-Y170 PolarHBondContact O-N 3.17Å | ||
| 167 | V | 85.6 | Confident | 81.2 | Confident | 102 Ų | 102 | 115.6 Ų | 115.6 | 62% | 0.618 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -53.3 | -41 | 179.3 | 176.3 | 0 | 0 | 0 | 0 | 111.6 | E169 Y170 F171 | V167-E169 VanDerWaalsContact C-N 3.33Å; V167-E169 PolarHBondContact O-N 3.22Å; V167-Y170 PolarHBondContact O-N 3.1Å; V167-F171 HydrophobicContact CG1-CD2 3.74Å; V167-F171 HydrophobicContact CG1-CE2 3.38Å; V167-F171 WeakPolarHBondContact O-CD2 3.39Å; V167-F171 PolarHBondContact O-N 3.49Å; V167-F171 VanDerWaalsContact O-N 3.16Å |
| 168 | S | 89.2 | Confident | 81.4 | Confident | 85 Ų | 85 | 117.9 Ų | 117.9 | 59% | 0.594 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -63.2 | -40.5 | 178 | 59.1 | 0 | 0 | 0 | 0 | 112.2 | S166 F171 A172 | S166-S168 PolarHBondContact O-N 3.23Å; S166-S168 PolarHBondContact OG-OG 2.96Å; S168-F171 PolarHBondContact O-N 3.28Å; S168-A172 PolarHBondContact O-N 3.45Å |
| 169 | E | 90.1 | Very high | 81.4 | Confident | 106 Ų | 106 | 116.2 Ų | 116.2 | 50% | 0.495 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -71.6 | -38.8 | -178.9 | -157.4 | 179.7 | -170.7 | 0 | 0 | 111.5 | L165 S166 V167 A172 K173 | L165-E169 HydrophobicContact CD2-CG 4.39Å; L165-E169 WeakPolarHBondContact CD2-OE2 3.41Å; S166-E169 WeakPolarHBondContact O-CB 3.42Å; S166-E169 PolarHBondContact O-N 3.43Å; V167-E169 VanDerWaalsContact C-N 3.33Å; V167-E169 PolarHBondContact O-N 3.22Å; E169-A172 PolarHBondContact O-N 2.95Å; E169-K173 WeakPolarHBondContact O-CB 3.18Å; E169-K173 PolarHBondContact O-N 3.38Å |
| 170 | Y | 87.6 | Confident | 80.7 | Confident | 129 Ų | 129 | 119.6 Ų | 119.6 | 51% | 0.506 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -57.3 | -49.2 | 172.1 | 175.8 | -95.5 | 0 | 0 | 0 | 111.5 | S166 V167 A172 K173 A174 | S166-Y170 PolarHBondContact O-N 3.17Å; V167-Y170 PolarHBondContact O-N 3.1Å; Y170-A172 PolarHBondContact O-N 3.45Å; Y170-K173 PolarHBondContact O-N 3.25Å; Y170-A174 WeakPolarHBondContact O-CB 3.31Å; Y170-A174 PolarHBondContact O-N 3.49Å |
| 171 | F | 91.2 | Very high | 79.6 | Confident | 119 Ų | 119 | 118.8 Ų | 118.8 | 52% | 0.522 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -68.5 | -34.7 | 179.8 | -72.5 | -60 | 0 | 0 | 0 | 113 | V167 S168 K173 A174 K175 | V167-F171 HydrophobicContact CG1-CD2 3.74Å; V167-F171 HydrophobicContact CG1-CE2 3.38Å; V167-F171 WeakPolarHBondContact O-CD2 3.39Å; V167-F171 PolarHBondContact O-N 3.49Å; V167-F171 VanDerWaalsContact O-N 3.16Å; S168-F171 PolarHBondContact O-N 3.28Å; F171-K173 VanDerWaalsContact C-N 3.34Å; F171-A174 PolarHBondContact O-N 3.01Å; F171-K175 WeakPolarHBondContact O-CG 3.28Å; F171-K175 PolarHBondContact O-N 3.41Å |
| 172 | A | 88.1 | Confident | 78.2 | Confident | 50 Ų | 50 | 119.9 Ų | 119.9 | 41% | 0.413 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -62.7 | -42.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | S168 E169 Y170 K176 | S168-A172 PolarHBondContact O-N 3.45Å; E169-A172 PolarHBondContact O-N 2.95Å; Y170-A172 PolarHBondContact O-N 3.45Å; A172-K176 WeakPolarHBondContact O-CG 3.41Å; A172-K176 PolarHBondContact O-N 3.36Å |
| 173 | K | 88.4 | Confident | 76.6 | Confident | 103 Ų | 103 | 118.4 Ų | 118.4 | 45% | 0.448 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -67.3 | -39.7 | 176.3 | -171 | 173.7 | -176.3 | 173.2 | 0 | 112.2 | L165 E169 Y170 F171 K176 R177 | L165-K173 HydrophobicContact CD1-CD 4.24Å; E169-K173 WeakPolarHBondContact O-CB 3.18Å; E169-K173 PolarHBondContact O-N 3.38Å; Y170-K173 PolarHBondContact O-N 3.25Å; F171-K173 VanDerWaalsContact C-N 3.34Å; K173-K176 PolarHBondContact O-N 3.31Å; K173-R177 WeakPolarHBondContact O-CG 3.46Å; K173-R177 PolarHBondContact O-N 3.02Å |
| 174 | A | 86.2 | Confident | 75.1 | Confident | 46 Ų | 46 | 123.8 Ų | 123.8 | 38% | 0.38 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -64.9 | -42.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y170 F171 K176 R177 | Y170-A174 WeakPolarHBondContact O-CB 3.31Å; Y170-A174 PolarHBondContact O-N 3.49Å; F171-A174 PolarHBondContact O-N 3.01Å; A174-K176 VanDerWaalsContact C-N 3.31Å; A174-K176 PolarHBondContact O-N 3.09Å; A174-R177 PolarHBondContact O-N 3.41Å |
| 175 | K | 86.1 | Confident | 72.8 | Confident | 170 Ų | 170 | 123.8 Ų | 123.8 | 74% | 0.739 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -61.8 | -36 | 177.1 | -77.2 | -177.8 | 179.9 | -178.5 | 0 | 113 | F171 R177 | F171-K175 WeakPolarHBondContact O-CG 3.28Å; F171-K175 PolarHBondContact O-N 3.41Å; K175-R177 VanDerWaalsContact C-N 3.32Å; K175-R177 PolarHBondContact O-N 3.01Å |
| 176 | K | 84.4 | Confident | 70.5 | Confident | 183 Ų | 183 | 126.8 Ų | 126.8 | 80% | 0.796 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -72.3 | -21.6 | 178 | -71.4 | -178.9 | -179.6 | -177.2 | 0 | 113.9 | A172 K173 A174 R178 | A172-K176 WeakPolarHBondContact O-CG 3.41Å; A172-K176 PolarHBondContact O-N 3.36Å; K173-K176 PolarHBondContact O-N 3.31Å; A174-K176 VanDerWaalsContact C-N 3.31Å; A174-K176 PolarHBondContact O-N 3.09Å; K176-R178 VanDerWaalsContact C-N 3.34Å |
| 177 | R | 77.5 | Confident | 68.1 | Low | 184 Ų | 184 | 126.9 Ų | 126.9 | 69% | 0.694 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -0.9 | -177.7 | -77.2 | -178.7 | 171.8 | -176.9 | -5.4 | 114.5 | K173 A174 K175 P179 | K173-R177 WeakPolarHBondContact O-CG 3.46Å; K173-R177 PolarHBondContact O-N 3.02Å; A174-R177 PolarHBondContact O-N 3.41Å; K175-R177 VanDerWaalsContact C-N 3.32Å; K175-R177 PolarHBondContact O-N 3.01Å; R177-P179 WeakPolarHBondContact O-CD 3.41Å |
| 178 | R | 62.8 | Low | 65.8 | Low | 209 Ų | 209 | 130.5 Ų | 130.5 | 79% | 0.789 | 68% | 0.683 | S | S | * | * | trans | -63.5 | 116.5 | 171.8 | -100 | -177 | 177.3 | 150.5 | -0.6 | 108.8 | K176 Q180 | K176-R178 VanDerWaalsContact C-N 3.34Å; R178-Q180 PolarHBondContact O-N 3.37Å | ||
| 179 | P | 62.2 | Low | 63.6 | Low | 109 Ų | 109 | 130.8 Ų | 130.8 | 71% | 0.708 | 69% | 0.69 | S | S | * | * | trans | -63.1 | 124.3 | 167.5 | 25.9 | -29.2 | 0 | 0 | 0 | 107.3 | R177 S181 | R177-P179 WeakPolarHBondContact O-CD 3.41Å; P179-S181 PolarHBondContact O-N 3.05Å | ||
| 180 | Q | 55.9 | Low | 61.2 | Low | 187 Ų | 187 | 132 Ų | 132 | 87% | 0.874 | 70% | 0.7 | S | S | * | * | trans | -65.3 | 77.9 | 159.4 | -65.7 | -78.3 | -16.9 | 0 | 0 | 106.4 | R178 E182 | R178-Q180 PolarHBondContact O-N 3.37Å; Q180-E182 PolarHBondContact O-N 3.48Å | ||
| 181 | S | 47.7 | Very low | 59.1 | Low | 101 Ų | 101 | 132.8 Ų | 132.8 | 71% | 0.706 | 72% | 0.718 | S | S | * | * | trans | -81.9 | 95.1 | 161.2 | 58 | 0 | 0 | 0 | 0 | 105.8 | P179 | P179-S181 PolarHBondContact O-N 3.05Š| ||
| 182 | E | 47.1 | Very low | 56.9 | Low | 156 Ų | 156 | 135.5 Ų | 135.5 | 73% | 0.729 | 73% | 0.73 | S | S | * | * | trans | -50.8 | 148.1 | 162.4 | -74.8 | -179.1 | 150.5 | 0 | 0 | 109.6 | Q180 Q184 | Q180-E182 PolarHBondContact O-N 3.48Å; E182-Q184 VanDerWaalsContact C-N 3.27Å; E182-Q184 PolarHBondContact O-N 3.42Å | ||
| 183 | P | 46.1 | Very low | 54.7 | Low | 124 Ų | 124 | 137.5 Ų | 137.5 | 81% | 0.805 | 74% | 0.741 | S | S | * | * | trans | -68.7 | 90 | 176.9 | 29.5 | -32.2 | 0 | 0 | 0 | 108.6 | T185 | P183-T185 PolarHBondContact O-N 3.48Å; P183-T185 VanDerWaalsContact O-N 3.1Å | ||
| 184 | Q | 46.9 | Very low | 52.3 | Low | 172 Ų | 172 | 137.7 Ų | 137.7 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -69.7 | 106.8 | 161 | -72.3 | -171.4 | 16.3 | 0 | 0 | 107.2 | E182 C186 | E182-Q184 VanDerWaalsContact C-N 3.27Å; E182-Q184 PolarHBondContact O-N 3.42Å; Q184-C186 PolarHBondContact O-N 3.14Å | ||
| 185 | T | 36.2 | Very low | 50.1 | Low | 135 Ų | 135 | 142.6 Ų | 142.6 | 83% | 0.828 | 77% | 0.774 | S | S | * | * | trans | -49.9 | 103.4 | 164 | 45 | 0 | 0 | 0 | 0 | 109.7 | P183 G187 | P183-T185 PolarHBondContact O-N 3.48Å; P183-T185 VanDerWaalsContact O-N 3.1Å; T185-G187 PolarHBondContact O-N 3.07Å | ||
| 186 | C | 36.1 | Very low | 48.4 | Very low | 122 Ų | 122 | 139.8 Ų | 139.8 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | trans | -69.9 | 110 | 162.6 | -63.6 | 0 | 0 | 0 | 0 | 107.3 | Q184 L188 | Q184-C186 PolarHBondContact O-N 3.14Å; C186-L188 PolarHBondContact O-N 3.25Å | ||
| 187 | G | 34.9 | Very low | 46.4 | Very low | 73 Ų | 73 | 138.4 Ų | 138.4 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | trans | -55.6 | 119 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | T185 A189 | T185-G187 PolarHBondContact O-N 3.07Å; G187-A189 PolarHBondContact O-N 3.26Å; G187-A189 VanDerWaalsContact O-N 3.12Å | ||
| 188 | L | 37.3 | Very low | 44.4 | Very low | 177 Ų | 177 | 137.5 Ų | 137.5 | 93% | 0.927 | 78% | 0.78 | S | S | * | * | trans | -67 | 99.2 | 163 | -76.9 | 163 | 0 | 0 | 0 | 107.4 | C186 | C186-L188 PolarHBondContact O-N 3.25Š| ||
| 189 | A | 43.9 | Very low | 43.1 | Very low | 92 Ų | 92 | 134.4 Ų | 134.4 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | trans | -90 | 102.4 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | G187 | G187-A189 PolarHBondContact O-N 3.26Å; G187-A189 VanDerWaalsContact O-N 3.12Å | ||
| 190 | D | 39.1 | Very low | 42.4 | Very low | 131 Ų | 131 | 136.3 Ų | 136.3 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | trans | 20.3 | 98.9 | 150.7 | -64.6 | -19.8 | 0 | 0 | 0 | 118.1 | ||||
| 191 | V | 42.4 | Very low | 41.6 | Very low | 145 Ų | 145 | 132.8 Ų | 132.8 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | trans | -110.1 | 90.8 | 144.9 | -177.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 192 | K | 45.9 | Very low | 41.8 | Very low | 176 Ų | 176 | 133.6 Ų | 133.6 | 77% | 0.765 | 77% | 0.773 | S | S | * | * | trans | -66.3 | 143.6 | 168.4 | -71.5 | 176.6 | -179.9 | 173.3 | 0 | 109.2 | ||||
| 193 | S | 41.4 | Very low | 41.7 | Very low | 93 Ų | 93 | 131.9 Ų | 131.9 | 65% | 0.65 | 77% | 0.773 | S | S | * | * | trans | 81 | 79.1 | 164.1 | -165.4 | 0 | 0 | 0 | 0 | 116.7 | K195 | S193-K195 PolarHBondContact O-N 3.27Š| ||
| 194 | A | 38.7 | Very low | 41.3 | Very low | 107 Ų | 107 | 132.4 Ų | 132.4 | 88% | 0.884 | 77% | 0.77 | S | S | * | * | trans | -63.7 | 116 | 148.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 195 | K | 39.1 | Very low | 41.2 | Very low | 149 Ų | 149 | 133.3 Ų | 133.3 | 65% | 0.648 | 77% | 0.774 | S | S | * | * | trans | -99.1 | 114.7 | 160.5 | -86.8 | 178.2 | 178.9 | 174.3 | 0 | 107.3 | S193 D218 | S193-K195 PolarHBondContact O-N 3.27Å; K195-D218 IonicContact NZ-OD1 3.44Å | ||
| 196 | S | 51.3 | Low | 41.2 | Very low | 111 Ų | 111 | 136.8 Ų | 136.8 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | -70.3 | 131.5 | 171.8 | 47 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 197 | I | 40.9 | Very low | 41.5 | Very low | 153 Ų | 153 | 134.6 Ų | 134.6 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | -96.6 | 107.2 | 171.3 | -62.2 | 171.7 | 0 | 0 | 0 | 106.9 | I199 | I197-I199 HydrophobicContact CG2-CG1 4.04Š| ||
| 198 | E | 36.5 | Very low | 41.6 | Very low | 166 Ų | 166 | 137.6 Ų | 137.6 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | -86.8 | 116.9 | 166.6 | -73.5 | -173.3 | 169.2 | 0 | 0 | 109.1 | ||||
| 199 | I | 35.8 | Very low | 41.8 | Very low | 144 Ų | 144 | 134.3 Ų | 134.3 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | trans | -93.1 | 101.9 | 173.1 | -57.7 | 176.4 | 0 | 0 | 0 | 107.1 | I197 V201 | I197-I199 HydrophobicContact CG2-CG1 4.04Å; I199-V201 HydrophobicContact CG2-CG2 3.95Å | ||
| 200 | I | 46.9 | Very low | 41.5 | Very low | 148 Ų | 148 | 140.4 Ų | 140.4 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | trans | -84.2 | 112.5 | 171.3 | -57.9 | 171 | 0 | 0 | 0 | 107.5 | ||||
| 201 | V | 39.9 | Very low | 41.6 | Very low | 113 Ų | 113 | 139.2 Ų | 139.2 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 117.2 | 172.4 | -175.5 | 0 | 0 | 0 | 0 | 108.1 | I199 V203 | I199-V201 HydrophobicContact CG2-CG2 3.95Å; V201-V203 PolarHBondContact O-N 3.19Å |
| 202 | P | 51.4 | Low | 41.2 | Very low | 118 Ų | 118 | 138.7 Ų | 138.7 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -71 | 128.1 | 172.9 | 27.3 | -30.4 | 0 | 0 | 0 | 110.2 | ||
| 203 | V | 44.9 | Very low | 40.7 | Very low | 120 Ų | 120 | 135.3 Ų | 135.3 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 132.9 | 171.5 | 167.9 | 0 | 0 | 0 | 0 | 108.3 | V201 | V201-V203 PolarHBondContact O-N 3.19Š|
| 204 | D | 38.6 | Very low | 40.3 | Very low | 136 Ų | 136 | 136.3 Ų | 136.3 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | 60.7 | 98.1 | 164.5 | -54.1 | -21.4 | 0 | 0 | 0 | 118.3 | ||||
| 205 | Q | 43.7 | Very low | 40.2 | Very low | 190 Ų | 190 | 140.3 Ų | 140.3 | 89% | 0.888 | 77% | 0.768 | S | S | * | * | -171.4 | 130.9 | 125 | -99.3 | 162.2 | 46 | 0 | 0 | 109.3 | A207 | Q205-A207 PolarHBondContact O-N 3.23Š| |||
| 206 | H | 37.5 | Very low | 40 | Very low | 208 Ų | 208 | 138.9 Ų | 138.9 | 96% | 0.963 | 77% | 0.766 | S | S | * | * | trans | -64.7 | 97.3 | -179.5 | -65.3 | -83.7 | 0 | 0 | 0 | 110.8 | ||||
| 207 | A | 41.4 | Very low | 39.5 | Very low | 76 Ų | 76 | 140.3 Ų | 140.3 | 63% | 0.628 | 77% | 0.765 | S | S | * | * | trans | -147 | 134 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q205 | Q205-A207 PolarHBondContact O-N 3.23Š| ||
| 208 | T | 37.8 | Very low | 39.6 | Very low | 137 Ų | 137 | 138.5 Ų | 138.5 | 84% | 0.84 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -57.6 | 144.2 | 178.2 | 31.6 | 0 | 0 | 0 | 0 | 113.7 | ||
| 209 | S | 40.2 | Very low | 39.9 | Very low | 107 Ų | 107 | 138.7 Ų | 138.7 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | trans | 86.2 | 104.9 | 177.8 | 83 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 210 | Y | 37.4 | Very low | 40.1 | Very low | 221 Ų | 221 | 141.1 Ų | 141.1 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | trans | -96 | 106.4 | 168.4 | -46.7 | -79.3 | 0 | 0 | 0 | 107 | ||||
| 211 | S | 41 | Very low | 39.5 | Very low | 105 Ų | 105 | 143 Ų | 143 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | trans | -96.7 | 120.9 | 161.3 | 52.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 212 | V | 34.5 | Very low | 39.3 | Very low | 134 Ų | 134 | 142.8 Ų | 142.8 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | trans | -90.8 | 110.7 | 172.9 | 178.6 | 0 | 0 | 0 | 0 | 106.6 | V214 | V212-V214 HydrophobicContact CG1-CG2 4.31Š| ||
| 213 | S | 36.5 | Very low | 38.3 | Very low | 106 Ų | 106 | 145.8 Ų | 145.8 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | trans | -100.2 | 116.1 | 172.8 | 26.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 214 | V | 33.2 | Very low | 37.7 | Very low | 113 Ų | 113 | 146.6 Ų | 146.6 | 69% | 0.685 | 79% | 0.791 | S | S | * | * | trans | -96.6 | 113.2 | 171.2 | -176.7 | 0 | 0 | 0 | 0 | 107 | V212 I216 | V212-V214 HydrophobicContact CG1-CG2 4.31Å; V214-I216 HydrophobicContact CG1-CD1 4.34Å; V214-I216 HydrophobicContact CG1-CG1 3.8Å; V214-I216 PolarHBondContact O-N 3.11Å | ||
| 215 | K | 35.8 | Very low | 37.5 | Very low | 191 Ų | 191 | 150.2 Ų | 150.2 | 83% | 0.83 | 80% | 0.795 | S | S | * | * | trans | -85.9 | 104.6 | 169.7 | -71.1 | -178.3 | -179.9 | 176.8 | 0 | 108 | ||||
| 216 | I | 34.7 | Very low | 37.1 | Very low | 120 Ų | 120 | 150.6 Ų | 150.6 | 62% | 0.615 | 79% | 0.793 | S | S | * | * | trans | -98.2 | 110.6 | 164.8 | -53.6 | -178.8 | 0 | 0 | 0 | 106 | V214 D218 | V214-I216 HydrophobicContact CG1-CD1 4.34Å; V214-I216 HydrophobicContact CG1-CG1 3.8Å; V214-I216 PolarHBondContact O-N 3.11Å; I216-D218 WeakPolarHBondContact CG2-OD2 3.35Å; I216-D218 PolarHBondContact O-N 3.18Å | ||
| 217 | N | 41.2 | Very low | 37.1 | Very low | 140 Ų | 140 | 148.6 Ų | 148.6 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | trans | -78.2 | 91.8 | 170.6 | -73.9 | -4.6 | 0 | 0 | 0 | 108.2 | ||||
| 218 | D | 43.6 | Very low | 36.9 | Very low | 116 Ų | 116 | 153.1 Ų | 153.1 | 62% | 0.62 | 80% | 0.796 | S | S | * | * | trans | -124.3 | 109.6 | 162.4 | -65.9 | -35 | 0 | 0 | 0 | 107.6 | K195 I216 E220 | K195-D218 IonicContact NZ-OD1 3.44Å; I216-D218 WeakPolarHBondContact CG2-OD2 3.35Å; I216-D218 PolarHBondContact O-N 3.18Å; D218-E220 PolarHBondContact O-N 3.43Å | ||
| 219 | N | 41.2 | Very low | 36.8 | Very low | 169 Ų | 169 | 155.8 Ų | 155.8 | 90% | 0.904 | 80% | 0.799 | S | S | * | * | trans | -69.1 | 103.2 | 168.2 | -77.9 | -25.1 | 0 | 0 | 0 | 107.3 | ||||
| 220 | E | 40.1 | Very low | 36.9 | Very low | 195 Ų | 195 | 156.6 Ų | 156.6 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | trans | -153.8 | 126.9 | 137.4 | -76.9 | -146.8 | 162.3 | 0 | 0 | 109 | D218 | D218-E220 PolarHBondContact O-N 3.43Š| ||
| 221 | E | 34.6 | Very low | 37.1 | Very low | 187 Ų | 187 | 151.4 Ų | 151.4 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | -52.7 | 130.7 | 177.9 | -166.2 | 172.2 | -155.4 | 0 | 0 | 111.5 | ||||
| 222 | S | 35.6 | Very low | 36.8 | Very low | 110 Ų | 110 | 153.4 Ų | 153.4 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | 159.9 | 97.9 | 135 | -72 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 223 | K | 31.8 | Very low | 37 | Very low | 181 Ų | 181 | 155 Ų | 155 | 79% | 0.787 | 80% | 0.799 | S | S | * | * | trans | 63 | 86 | 136.3 | -152.8 | 168.3 | -168.5 | 167.8 | 0 | 119 | ||||
| 224 | C | 31.9 | Very low | 37.3 | Very low | 136 Ų | 136 | 156.8 Ų | 156.8 | 92% | 0.919 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 121.8 | 156.7 | -63.9 | 0 | 0 | 0 | 0 | 110.7 | ||
| 225 | R | 33.7 | Very low | 37.3 | Very low | 213 Ų | 213 | 160.1 Ų | 160.1 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 129.5 | 161.6 | -74 | -178.4 | 174.4 | 169.5 | -1.2 | 108.6 | ||
| 226 | K | 35.9 | Very low | 37.5 | Very low | 198 Ų | 198 | 154.7 Ų | 154.7 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -63 | 130 | 166.4 | -77.2 | 175.9 | 176 | 178.1 | 0 | 108.6 | ||
| 227 | I | 36.5 | Very low | 37.7 | Very low | 166 Ų | 166 | 157.9 Ų | 157.9 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | trans | -105.6 | 110.1 | 162.8 | -61.5 | 175 | 0 | 0 | 0 | 105 | ||||
| 228 | E | 37.3 | Very low | 37.3 | Very low | 171 Ų | 171 | 158.5 Ų | 158.5 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 137.4 | 167.7 | -72 | 174 | 163.2 | 0 | 0 | 108.7 | P230 | E228-P230 WeakPolarHBondContact O-CD 2.99Š|
| 229 | E | 35.2 | Very low | 37.2 | Very low | 193 Ų | 193 | 160.5 Ų | 160.5 | 90% | 0.902 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 127.5 | 169 | -72.6 | -178.7 | 146.8 | 0 | 0 | 109.5 | ||
| 230 | P | 43 | Very low | 37.5 | Very low | 123 Ų | 123 | 157.9 Ų | 157.9 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 121 | 167.4 | 30.6 | -28.1 | 0 | 0 | 0 | 110.1 | E228 | E228-P230 WeakPolarHBondContact O-CD 2.99Š|
| 231 | S | 42.6 | Very low | 38.5 | Very low | 113 Ų | 113 | 153.9 Ų | 153.9 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 148.1 | 163.5 | 49 | 0 | 0 | 0 | 0 | 112 | ||
| 232 | N | 33.5 | Very low | 39.7 | Very low | 147 Ų | 147 | 151.1 Ų | 151.1 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 162.1 | 177.1 | -57.7 | -57.8 | 0 | 0 | 0 | 114.5 | ||
| 233 | H | 40.2 | Very low | 40.4 | Very low | 168 Ų | 168 | 152.4 Ų | 152.4 | 78% | 0.778 | 81% | 0.808 | S | S | * | * | trans | 126 | 138.6 | 167.5 | -73.1 | -68.5 | 0 | 0 | 0 | 108 | ||||
| 234 | E | 41 | Very low | 41.3 | Very low | 143 Ų | 143 | 151 Ų | 151 | 67% | 0.668 | 81% | 0.808 | S | S | * | * | cis | -167 | 154.8 | -13.6 | -121.3 | 165 | -146.1 | 0 | 0 | 103.6 | ||||
| 235 | E | 34 | Very low | 41.9 | Very low | 183 Ų | 183 | 149.9 Ų | 149.9 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | trans | 57.6 | 121.5 | 150.4 | -54.9 | -167.1 | -171.2 | 0 | 0 | 120.7 | ||||
| 236 | G | 40.7 | Very low | 42.4 | Very low | 76 Ų | 76 | 147.5 Ų | 147.5 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | trans | 163.1 | 82 | 167.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 237 | E | 37.7 | Very low | 43 | Very low | 188 Ų | 188 | 147.7 Ų | 147.7 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | trans | 76.1 | 125.1 | 138.6 | -148.2 | 162.4 | -170.5 | 0 | 0 | 121.2 | ||||
| 238 | L | 33.3 | Very low | 43.5 | Very low | 153 Ų | 153 | 149.1 Ų | 149.1 | 80% | 0.801 | 80% | 0.804 | S | S | * | * | trans | -82.7 | 115.9 | -175.4 | -177.1 | 80.9 | 0 | 0 | 0 | 110 | ||||
| 239 | I | 42.5 | Very low | 43.5 | Very low | 157 Ų | 157 | 148.5 Ų | 148.5 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | trans | -130.3 | 102.1 | 166.3 | -55.5 | 177.8 | 0 | 0 | 0 | 109.4 | ||||
| 240 | T | 47.5 | Very low | 43.9 | Very low | 115 Ų | 115 | 150.1 Ų | 150.1 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 133.8 | 170 | 47 | 0 | 0 | 0 | 0 | 110.7 | ||
| 241 | P | 60.3 | Low | 43.6 | Very low | 111 Ų | 111 | 152.6 Ų | 152.6 | 72% | 0.721 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 155.8 | 164.2 | 31.9 | -31.7 | 0 | 0 | 0 | 111.4 | ||
| 242 | P | 59.8 | Low | 43.2 | Very low | 128 Ų | 128 | 153.4 Ų | 153.4 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 145.7 | -165.3 | 29.7 | -34.9 | 0 | 0 | 0 | 113.6 | ||
| 243 | V | 49.5 | Very low | 43.5 | Very low | 138 Ų | 138 | 154.5 Ų | 154.5 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 118.1 | 175 | 174.8 | 0 | 0 | 0 | 0 | 109 | ||
| 244 | D | 52 | Low | 43.3 | Very low | 150 Ų | 150 | 152.2 Ų | 152.2 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 129.1 | 170.2 | -83.6 | -36.7 | 0 | 0 | 0 | 111.2 | D246 | D244-D246 PolarHBondContact O-N 2.98Š|
| 245 | P | 44.5 | Very low | 43.5 | Very low | 114 Ų | 114 | 153 Ų | 153 | 74% | 0.74 | 81% | 0.808 | S | S | * | * | trans | -92.3 | 74.4 | 179.8 | 36.8 | -32.4 | 0 | 0 | 0 | 110.5 | ||||
| 246 | D | 43 | Very low | 43.5 | Very low | 162 Ų | 162 | 151.8 Ų | 151.8 | 87% | 0.866 | 81% | 0.808 | S | S | * | * | trans | -153.3 | 74.5 | 167.8 | -97.9 | -29 | 0 | 0 | 0 | 112.2 | D244 | D244-D246 PolarHBondContact O-N 2.98Š| ||
| 247 | K | 49.7 | Very low | 43.5 | Very low | 203 Ų | 203 | 153 Ų | 153 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | trans | -108.6 | 93.8 | 164.3 | -105.8 | -179.6 | 179.6 | 176.2 | 0 | 109.8 | I249 | K247-I249 PolarHBondContact O-N 2.65Š| ||
| 248 | K | 46.3 | Very low | 43.4 | Very low | 195 Ų | 195 | 147.4 Ų | 147.4 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | trans | -74.1 | 104.9 | 155.1 | -93.4 | 175.2 | 179.5 | 167.1 | 0 | 108.5 | ||||
| 249 | I | 38.5 | Very low | 44.1 | Very low | 159 Ų | 159 | 149.3 Ų | 149.3 | 82% | 0.815 | 81% | 0.808 | S | S | * | * | trans | -62 | 126.8 | 169.3 | -62 | 164.9 | 0 | 0 | 0 | 108.2 | K247 | K247-I249 PolarHBondContact O-N 2.65Š| ||
| 250 | R | 42.1 | Very low | 44.1 | Very low | 227 Ų | 227 | 148.8 Ų | 148.8 | 86% | 0.857 | 81% | 0.806 | S | S | * | * | trans | -133.4 | 133.2 | 159 | -71.2 | -167 | -174.5 | -164.9 | 2.1 | 110.4 | ||||
| 251 | H | 37.4 | Very low | 44 | Very low | 175 Ų | 175 | 149.2 Ų | 149.2 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | trans | -24.9 | 137.4 | -179.6 | -98.9 | -105.1 | 0 | 0 | 0 | 118.4 | ||||
| 252 | V | 33.4 | Very low | 43.4 | Very low | 129 Ų | 129 | 150.4 Ų | 150.4 | 78% | 0.782 | 81% | 0.808 | S | S | * | * | trans | -86.1 | 119.9 | 160.1 | 176.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 253 | E | 40 | Very low | 42.3 | Very low | 170 Ų | 170 | 151.2 Ų | 151.2 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | -103.2 | 123.3 | 162.5 | -74.4 | -177.2 | 168.8 | 0 | 0 | 108.5 | ||||
| 254 | T | 35.6 | Very low | 41.9 | Very low | 120 Ų | 120 | 150.4 Ų | 150.4 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | trans | -79.7 | 114.4 | 175.4 | -48.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 255 | I | 45.9 | Very low | 41.5 | Very low | 160 Ų | 160 | 150.2 Ų | 150.2 | 82% | 0.821 | 80% | 0.804 | S | S | * | * | trans | -99.2 | 114.2 | 168.4 | 32.5 | 173.1 | 0 | 0 | 0 | 109.4 | ||||
| 256 | N | 33.3 | Very low | 41.1 | Very low | 158 Ų | 158 | 153.5 Ų | 153.5 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | trans | -61.3 | 132 | 167.3 | -67.4 | -49.4 | 0 | 0 | 0 | 109.7 | ||||
| 257 | A | 42 | Very low | 41.5 | Very low | 102 Ų | 102 | 152.2 Ų | 152.2 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | -133.9 | 104 | 159.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 258 | G | 35.9 | Very low | 41 | Very low | 70 Ų | 70 | 149.7 Ų | 149.7 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | -71.3 | 150.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 259 | E | 46.5 | Very low | 41.1 | Very low | 192 Ų | 192 | 145.5 Ų | 145.5 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | -164 | 145.9 | 129.8 | -108.2 | 169.4 | -167.9 | 0 | 0 | 110.4 | |||||
| 260 | N | 42.5 | Very low | 41.7 | Very low | 146 Ų | 146 | 144.7 Ų | 144.7 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | trans | -63 | 161.3 | -171.9 | -59.1 | -69.3 | 0 | 0 | 0 | 112.4 | ||||
| 261 | V | 45.9 | Very low | 42 | Very low | 124 Ų | 124 | 142.3 Ų | 142.3 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | 170.9 | 106.9 | 111.7 | 159.6 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 262 | I | 47.4 | Very low | 42.6 | Very low | 136 Ų | 136 | 141 Ų | 141 | 70% | 0.697 | 78% | 0.784 | S | S | * | * | 61.8 | 106.7 | 127.2 | -48.6 | 175.2 | 0 | 0 | 0 | 119.4 | |||||
| 263 | N | 37.8 | Very low | 43 | Very low | 146 Ų | 146 | 140.2 Ų | 140.2 | 78% | 0.781 | 78% | 0.784 | S | S | * | * | trans | 43 | 111.5 | 131.3 | -51.7 | -21.2 | 0 | 0 | 0 | 119.7 | ||||
| 264 | S | 41 | Very low | 44 | Very low | 121 Ų | 121 | 139 Ų | 139 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | -148.6 | 130.7 | 124.1 | 69.8 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 265 | L | 42.8 | Very low | 44.6 | Very low | 146 Ų | 146 | 138.8 Ų | 138.8 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | trans | -64.5 | 129 | -171.4 | -75.5 | 88.4 | 0 | 0 | 0 | 112.3 | I267 | L265-I267 HydrophobicContact CB-CG1 4.13Å; L265-I267 HydrophobicContact CD2-CD1 3.79Å; L265-I267 HydrophobicContact CD2-CG1 3.87Å | ||
| 266 | F | 36.4 | Very low | 45 | Very low | 183 Ų | 183 | 134.1 Ų | 134.1 | 80% | 0.803 | 77% | 0.773 | S | S | * | * | trans | -90.5 | 88.3 | 158.5 | -166.9 | -102 | 0 | 0 | 0 | 107.4 | Q268 | F266-Q268 HydrophobicContact CD1-CG 3.84Å; F266-Q268 HydrophobicContact CE1-CG 3.52Å; F266-Q268 PolarHBondContact O-N 3.44Å | ||
| 267 | I | 51.2 | Low | 45.9 | Very low | 135 Ų | 135 | 137 Ų | 137 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | trans | -85.9 | 105.6 | 168.8 | -64.6 | -170 | 0 | 0 | 0 | 107.9 | L265 S269 | L265-I267 HydrophobicContact CB-CG1 4.13Å; L265-I267 HydrophobicContact CD2-CD1 3.79Å; L265-I267 HydrophobicContact CD2-CG1 3.87Å; I267-S269 PolarHBondContact O-N 2.93Å | ||
| 268 | Q | 40 | Very low | 46.1 | Very low | 149 Ų | 149 | 137.7 Ų | 137.7 | 70% | 0.696 | 77% | 0.771 | S | S | * | * | trans | -69 | 110.1 | 157.9 | -68.9 | 177.7 | -51.5 | 0 | 0 | 108 | F266 N270 | F266-Q268 HydrophobicContact CD1-CG 3.84Å; F266-Q268 HydrophobicContact CE1-CG 3.52Å; F266-Q268 PolarHBondContact O-N 3.44Å; Q268-N270 PolarHBondContact O-N 2.81Å | ||
| 269 | S | 48.6 | Very low | 47.1 | Very low | 108 Ų | 108 | 144.5 Ų | 144.5 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | -75.1 | 103.5 | 165.1 | 55.1 | 0 | 0 | 0 | 0 | 108.5 | I267 L271 | I267-S269 PolarHBondContact O-N 2.93Å; S269-L271 PolarHBondContact O-N 2.83Å | ||
| 270 | N | 50.9 | Low | 47.5 | Very low | 141 Ų | 141 | 150 Ų | 150 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | trans | -51.8 | 126.6 | 164 | -85.9 | -33.2 | 0 | 0 | 0 | 110.4 | Q268 L272 | Q268-N270 PolarHBondContact O-N 2.81Å; N270-L272 PolarHBondContact O-N 2.66Å; N270-L272 VanDerWaalsContact O-N 3.11Å | ||
| 271 | L | 47.1 | Very low | 47.7 | Very low | 178 Ų | 178 | 150.2 Ų | 150.2 | 93% | 0.932 | 79% | 0.792 | S | S | * | * | trans | -64.7 | 99.7 | 164.2 | -76.3 | 156.2 | 0 | 0 | 0 | 108.4 | S269 S273 | S269-L271 PolarHBondContact O-N 2.83Å; L271-S273 PolarHBondContact O-N 3.3Å | ||
| 272 | L | 50.2 | Low | 47.8 | Very low | 148 Ų | 148 | 151.5 Ų | 151.5 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | trans | -85.3 | 106.5 | 163.1 | -119.1 | 92.4 | 0 | 0 | 0 | 108.8 | N270 I274 | N270-L272 PolarHBondContact O-N 2.66Å; N270-L272 VanDerWaalsContact O-N 3.11Å; L272-I274 PolarHBondContact O-N 3.26Å | ||
| 273 | S | 43 | Very low | 47.9 | Very low | 111 Ų | 111 | 152.4 Ų | 152.4 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | -51.8 | 119.9 | 158.7 | 171.1 | 0 | 0 | 0 | 0 | 110.4 | L271 | L271-S273 PolarHBondContact O-N 3.3Š| ||
| 274 | I | 61.3 | Low | 48.5 | Very low | 144 Ų | 144 | 152.8 Ų | 152.8 | 74% | 0.738 | 80% | 0.8 | S | S | * | * | trans | -119.8 | 123.3 | 165.1 | -60.6 | 177.2 | 0 | 0 | 0 | 107.7 | L272 | L272-I274 PolarHBondContact O-N 3.26Š| ||
| 275 | P | 48.2 | Very low | 48.9 | Very low | 117 Ų | 117 | 154.8 Ų | 154.8 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | trans | -86.1 | 145.1 | 171.9 | 35 | -29.4 | 0 | 0 | 0 | 109.5 | ||||
| 276 | G | 53.5 | Low | 49.3 | Very low | 61 Ų | 61 | 155.3 Ų | 155.3 | 63% | 0.629 | 80% | 0.799 | S | S | * | * | trans | 168.7 | 101.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 277 | Y | 52.5 | Low | 50.3 | Low | 220 Ų | 220 | 153.4 Ų | 153.4 | 86% | 0.863 | 80% | 0.799 | S | S | * | * | trans | 73.8 | 108 | 141 | -69 | -85 | 0 | 0 | 0 | 121 | ||||
| 278 | C | 46 | Very low | 50.2 | Low | 116 Ų | 116 | 154.8 Ų | 154.8 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | trans | -57.7 | 143.3 | 146.3 | -61.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 279 | Y | 56.4 | Low | 51.1 | Low | 213 Ų | 213 | 155.3 Ų | 155.3 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | trans | -170.2 | 107.2 | 139 | -95.3 | -71 | 0 | 0 | 0 | 110 | ||||
| 280 | Y | 55.1 | Low | 51.3 | Low | 306 Ų | 306 | 159.5 Ų | 159.5 | 100% | 1.2 | 82% | 0.822 | S | S | * | * | trans | 157.2 | 0 | 136.3 | -93.6 | -73 | 0 | 0 | 0 | 110 |
Retrieved 280 of 280 residues in 442.3 ms
(Link to these results)