| 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 | 77.1 | Confident | 84.7 | Confident | 154 Ų | 154 | 87.5 Ų | 87.5 | 76% | 0.759 | 44% | 0.439 | S | S | * | . | 0 | -41.8 | 0 | -59 | 173.1 | 74.5 | 0 | 0 | 114.3 | K3 T4 R5 I10 | M1-K3 VanDerWaalsContact C-N 3.26Å; M1-K3 PolarHBondContact O-N 3Å; M1-T4 PolarHBondContact O-N 3.12Å; M1-T4 PolarHBondContact O-OG1 3.23Å; M1-R5 PolarHBondContact O-N 3.44Å; M1-I10 HydrophobicContact CB-CD1 3.47Å; M1-I10 VanDerWaalsContact CB-CD1 3.47Å; M1-I10 HydrophobicContact CB-CG1 4.21Å; M1-I10 HydrophobicContact CE-CD1 3.55Å; M1-I10 HydrophobicContact CG-CD1 4.31Å; M1-I10 HydrophobicContact SD-CD1 3.93Å | |||
| 2 | T | 83.4 | Confident | 84.7 | Confident | 49 Ų | 49 | 98.2 Ų | 98.2 | 30% | 0.301 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -54.2 | -39 | 178.3 | 51.1 | 0 | 0 | 0 | 0 | 113.2 | T4 G6 I10 Y43 | T2-T4 VanDerWaalsContact C-N 3.33Å; T2-T4 PolarHBondContact O-N 3.24Å; T2-G6 WeakPolarHBondContact O-CA 3.43Å; T2-G6 PolarHBondContact O-N 3.42Å; T2-I10 HydrophobicContact CG2-CG1 3.98Å; T2-Y43 HydrophobicContact CG2-CE1 4.11Å |
| 3 | K | 80.2 | Confident | 85.1 | Confident | 196 Ų | 196 | 100.9 Ų | 100.9 | 85% | 0.852 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.6 | -33.7 | 174.9 | -170 | 175.8 | 179.6 | 179.5 | 0 | 113.7 | M1 | M1-K3 VanDerWaalsContact C-N 3.26Å; M1-K3 PolarHBondContact O-N 3Å |
| 4 | T | 83.8 | Confident | 85.5 | Confident | 116 Ų | 116 | 95.5 Ų | 95.5 | 71% | 0.712 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -98 | -34.2 | -173.7 | 52.4 | 0 | 0 | 0 | 0 | 114 | M1 T2 | M1-T4 PolarHBondContact O-N 3.12Å; M1-T4 PolarHBondContact O-OG1 3.23Å; T2-T4 VanDerWaalsContact C-N 3.33Å; T2-T4 PolarHBondContact O-N 3.24Å |
| 5 | R | 84.9 | Confident | 85.9 | Confident | 202 Ų | 202 | 94 Ų | 94 | 76% | 0.762 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -114.7 | -9.4 | -177.1 | -61.6 | -68 | -170.1 | 175.3 | 1.1 | 114.4 | M1 A9 | M1-R5 PolarHBondContact O-N 3.44Å; R5-A9 HydrophobicContact CB-CB 3.95Å |
| 6 | G | 84.7 | Confident | 86.1 | Confident | 31 Ų | 31 | 96.6 Ų | 96.6 | 32% | 0.32 | 47% | 0.473 | S | S | . | . | trans | 81.9 | 151.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | T2 K8 A9 | T2-G6 WeakPolarHBondContact O-CA 3.43Å; T2-G6 PolarHBondContact O-N 3.42Å; G6-K8 PolarHBondContact O-N 3.41Å; G6-A9 PolarHBondContact O-N 2.6Å | ||
| 7 | Y | 88.9 | Confident | 86.4 | Confident | 20 Ų | 20 | 95.4 Ų | 95.4 | 8% | 0.078 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -60.2 | -31.9 | -177.5 | 70.9 | -96.2 | 0 | 0 | 0 | 113.3 | A9 I10 I11 L47 E90 F94 | Y7-A9 VanDerWaalsContact C-N 3.25Å; Y7-A9 PolarHBondContact O-N 3.09Å; Y7-I10 PolarHBondContact O-N 3.2Å; Y7-I11 HydrophobicContact CD2-CD1 3.54Å; Y7-I11 HydrophobicContact CD2-CG1 4.23Å; Y7-I11 HydrophobicContact CE2-CD1 3.99Å; Y7-I11 WeakPolarHBondContact O-CB 3.41Å; Y7-I11 WeakPolarHBondContact O-CG1 3.39Å; Y7-I11 PolarHBondContact O-N 3.5Å; Y7-L47 HydrophobicContact CD2-CD2 3.78Å; Y7-L47 HydrophobicContact CG-CD2 4.04Å; Y7-E90 HydrophobicContact CE1-CG 4.08Å; Y7-E90 WeakPolarHBondContact CE1-OE1 3.27Å; Y7-F94 HydrophobicContact CE2-CD1 4.29Å; Y7-F94 HydrophobicContact CE2-CD2 4.44Å; Y7-F94 HydrophobicContact CE2-CE1 4.43Å; Y7-F94 HydrophobicContact CE2-CG 4.29Å |
| 8 | K | 85.3 | Confident | 86.5 | Confident | 115 Ų | 115 | 92.7 Ų | 92.7 | 50% | 0.5 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.7 | -31.1 | 179.5 | -67.7 | 177.6 | -177.9 | 160.1 | 0 | 114 | G6 I10 | G6-K8 PolarHBondContact O-N 3.41Å; K8-I10 VanDerWaalsContact C-N 3.34Å |
| 9 | A | 86.5 | Confident | 86.6 | Confident | 42 Ų | 42 | 95 Ų | 95 | 35% | 0.347 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -72.3 | -32.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | R5 G6 Y7 | R5-A9 HydrophobicContact CB-CB 3.95Å; G6-A9 PolarHBondContact O-N 2.6Å; Y7-A9 VanDerWaalsContact C-N 3.25Å; Y7-A9 PolarHBondContact O-N 3.09Å |
| 10 | I | 88 | Confident | 87 | Confident | 27 Ų | 27 | 92.2 Ų | 92.2 | 14% | 0.138 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -82.6 | -42.2 | -176.7 | -52.2 | -54.2 | 0 | 0 | 0 | 111.6 | M1 T2 Y7 K8 R12 L13 M14 | M1-I10 HydrophobicContact CB-CD1 3.47Å; M1-I10 VanDerWaalsContact CB-CD1 3.47Å; M1-I10 HydrophobicContact CB-CG1 4.21Å; M1-I10 HydrophobicContact CE-CD1 3.55Å; M1-I10 HydrophobicContact CG-CD1 4.31Å; M1-I10 HydrophobicContact SD-CD1 3.93Å; T2-I10 HydrophobicContact CG2-CG1 3.98Å; Y7-I10 PolarHBondContact O-N 3.2Å; K8-I10 VanDerWaalsContact C-N 3.34Å; I10-R12 PolarHBondContact O-N 3.17Å; I10-R12 VanDerWaalsContact O-N 3.1Å; I10-L13 WeakPolarHBondContact O-CA 3.34Å; I10-L13 WeakPolarHBondContact O-CB 3.42Å; I10-L13 PolarHBondContact O-N 3.23Å; I10-M14 HydrophobicContact CG2-CE 4.1Å; I10-M14 PolarHBondContact O-N 3.31Å |
| 11 | I | 88.9 | Confident | 87.2 | Confident | 11 Ų | 11 | 87.9 Ų | 87.9 | 6% | 0.056 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -48.3 | -39.1 | 176.3 | -84 | -168 | 0 | 0 | 0 | 112.2 | Y7 L13 M14 L47 I51 F94 | Y7-I11 HydrophobicContact CD2-CD1 3.54Å; Y7-I11 HydrophobicContact CD2-CG1 4.23Å; Y7-I11 HydrophobicContact CE2-CD1 3.99Å; Y7-I11 WeakPolarHBondContact O-CB 3.41Å; Y7-I11 WeakPolarHBondContact O-CG1 3.39Å; Y7-I11 PolarHBondContact O-N 3.5Å; I11-L13 PolarHBondContact O-N 2.97Å; I11-M14 HydrophobicContact CG1-SD 4.48Å; I11-M14 PolarHBondContact O-N 3.41Å; I11-L47 HydrophobicContact CD1-CD2 3.92Å; I11-L47 HydrophobicContact CG1-CB 4.35Å; I11-L47 HydrophobicContact CG1-CD2 4.41Å; I11-I51 HydrophobicContact CB-CG1 4.41Å; I11-I51 HydrophobicContact CG2-CD1 3.34Å; I11-I51 HydrophobicContact CG2-CG1 3.35Å; I11-F94 HydrophobicContact CD1-CD1 4Å; I11-F94 HydrophobicContact CD1-CE1 3.55Å; I11-F94 HydrophobicContact CD1-CZ 4.4Å |
| 12 | R | 85.3 | Confident | 87.9 | Confident | 215 Ų | 215 | 82.3 Ų | 82.3 | 81% | 0.811 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -14.4 | 179.7 | -67.7 | 176.8 | 178.4 | -174.1 | -3.9 | 114.5 | I10 | I10-R12 PolarHBondContact O-N 3.17Å; I10-R12 VanDerWaalsContact O-N 3.1Å |
| 13 | L | 89.4 | Confident | 88.4 | Confident | 134 Ų | 134 | 83.6 Ų | 83.6 | 70% | 0.702 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.6 | -2.5 | -177 | -56.5 | 174.4 | 0 | 0 | 0 | 112 | I10 I11 | I10-L13 WeakPolarHBondContact O-CA 3.34Å; I10-L13 WeakPolarHBondContact O-CB 3.42Å; I10-L13 PolarHBondContact O-N 3.23Å; I11-L13 PolarHBondContact O-N 2.97Å |
| 14 | M | 91 | Very high | 89.1 | Confident | 25 Ų | 25 | 74.4 Ų | 74.4 | 12% | 0.123 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -77.5 | 143.4 | -179.6 | -70.2 | 175.6 | 162.1 | 0 | 0 | 110.8 | I10 I11 V44 L47 W48 | I10-M14 HydrophobicContact CG2-CE 4.1Å; I10-M14 PolarHBondContact O-N 3.31Å; I11-M14 HydrophobicContact CG1-SD 4.48Å; I11-M14 PolarHBondContact O-N 3.41Å; M14-V44 HydrophobicContact CE-CG1 4.12Å; M14-L47 HydrophobicContact CE-CB 4.2Å; M14-W48 HydrophobicContact CE-CB 4.47Å; M14-W48 VanDerWaalsContact SD-CA 3.59Å; M14-W48 HydrophobicContact SD-CB 3.93Å; M14-W48 HydrophobicContact SD-CG 4.37Å |
| 15 | P | 91.1 | Very high | 89.6 | Confident | 73 Ų | 73 | 68.9 Ų | 68.9 | 47% | 0.474 | 35% | 0.349 | S | S | . | . | trans | -60.7 | 146.8 | 171.6 | 25.5 | -31.3 | 0 | 0 | 0 | 110 | W48 | P15-W48 HydrophobicContact CG-CZ2 3.67Å; P15-W48 PolarHBondContact O-NE1 3.2Å | ||
| 16 | H | 89.7 | Confident | 90.1 | Very high | 136 Ų | 136 | 60.8 Ų | 60.8 | 63% | 0.63 | 32% | 0.323 | S | S | * | . | trans | -137.5 | 32.8 | -172.5 | 56.5 | -84.4 | 0 | 0 | 0 | 112.3 | I51 | H16-I51 HydrophobicContact CB-CG2 3.66Š| ||
| 17 | T | 90.3 | Very high | 90.6 | Very high | 76 Ų | 76 | 63 Ų | 63 | 47% | 0.466 | 33% | 0.327 | S | S | . | . | trans | -72.1 | 142.5 | 174.7 | 21.6 | 0 | 0 | 0 | 0 | 111 | D19 D20 L52 | T17-D19 PolarHBondContact O-N 2.98Å; T17-D20 WeakPolarHBondContact O-CB 3.35Å; T17-D20 PolarHBondContact O-N 3.18Å; T17-D20 VanDerWaalsContact O-N 3.13Å; T17-D20 PolarHBondContact OG1-OD2 3.21Å; T17-L52 WeakPolarHBondContact O-CD2 3.49Å | ||
| 18 | V | 88.3 | Confident | 90.8 | Very high | 46 Ų | 46 | 62 Ų | 62 | 28% | 0.279 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -60.3 | -36.9 | -177.4 | -178.2 | 0 | 0 | 0 | 0 | 111.4 | D20 I21 V55 F57 L62 | V18-D20 PolarHBondContact O-N 3.15Å; V18-D20 VanDerWaalsContact O-N 3.12Å; V18-I21 HydrophobicContact CG1-CD1 4.19Å; V18-I21 WeakPolarHBondContact O-CB 3.46Å; V18-I21 WeakPolarHBondContact O-CG1 3.44Å; V18-I21 PolarHBondContact O-N 3.34Å; V18-I21 VanDerWaalsContact O-N 3.1Å; V18-V55 HydrophobicContact CG2-CG1 4.06Å; V18-F57 HydrophobicContact CB-CZ 4.21Å; V18-F57 HydrophobicContact CG1-CE2 4.22Å; V18-F57 HydrophobicContact CG1-CZ 3.64Å; V18-F57 HydrophobicContact CG2-CE1 3.81Å; V18-F57 HydrophobicContact CG2-CZ 3.46Å; V18-F57 VanDerWaalsContact CG2-CZ 3.46Å; V18-L62 HydrophobicContact CG1-CD1 3.49Å; V18-L62 VanDerWaalsContact CG1-CD1 3.49Å; V18-L62 HydrophobicContact CG1-CD2 3.55Å; V18-L62 HydrophobicContact CG1-CG 4.16Å |
| 19 | D | 89.4 | Confident | 91.2 | Very high | 137 Ų | 137 | 61.5 Ų | 61.5 | 73% | 0.733 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -60 | -22.1 | 179.4 | -57.6 | -39.6 | 0 | 0 | 0 | 112.9 | T17 P23 | T17-D19 PolarHBondContact O-N 2.98Å; D19-P23 WeakPolarHBondContact O-CD 3.19Å; D19-P23 VanDerWaalsContact O-CG 3.27Å; D19-P23 WeakPolarHBondContact O-CG 3.39Å |
| 20 | D | 93.3 | Very high | 91.6 | Very high | 39 Ų | 39 | 66.6 Ų | 66.6 | 21% | 0.209 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -82.4 | -12.6 | -179.5 | -60.2 | -39.5 | 0 | 0 | 0 | 113.2 | T17 V18 T24 W48 L52 | T17-D20 WeakPolarHBondContact O-CB 3.35Å; T17-D20 PolarHBondContact O-N 3.18Å; T17-D20 VanDerWaalsContact O-N 3.13Å; T17-D20 PolarHBondContact OG1-OD2 3.21Å; V18-D20 PolarHBondContact O-N 3.15Å; V18-D20 VanDerWaalsContact O-N 3.12Å; D20-T24 WeakPolarHBondContact O-CB 3.44Å; D20-T24 PolarHBondContact O-N 2.92Å; D20-T24 PolarHBondContact O-OG1 3.42Å; D20-W48 HydrophobicContact CB-CH2 4.42Å; D20-W48 HydrophobicContact CB-CZ2 3.87Å; D20-L52 HydrophobicContact CB-CD1 3.95Å; D20-L52 HydrophobicContact CB-CD2 3.83Å |
| 21 | I | 92.4 | Very high | 91.8 | Very high | 2 Ų | 2 | 67.6 Ų | 67.6 | 1% | 0.01 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.2 | -59 | -176.3 | -69.7 | 164.1 | 0 | 0 | 0 | 111 | V18 T24 L25 L52 V55 L59 L62 I70 | V18-I21 HydrophobicContact CG1-CD1 4.19Å; V18-I21 WeakPolarHBondContact O-CB 3.46Å; V18-I21 WeakPolarHBondContact O-CG1 3.44Å; V18-I21 PolarHBondContact O-N 3.34Å; V18-I21 VanDerWaalsContact O-N 3.1Å; I21-T24 PolarHBondContact O-N 3.24Å; I21-L25 WeakPolarHBondContact O-CB 3.37Å; I21-L25 PolarHBondContact O-N 3.37Å; I21-L52 HydrophobicContact CG1-CB 3.82Å; I21-V55 HydrophobicContact CD1-CG1 4.08Å; I21-V55 HydrophobicContact CD1-CG2 4.15Å; I21-L59 HydrophobicContact CD1-CD2 4.1Å; I21-L62 HydrophobicContact CD1-CD1 3.53Å; I21-I70 HydrophobicContact CG2-CD1 4.24Å; I21-I70 HydrophobicContact CG2-CG2 4.13Å |
| 22 | E | 92.1 | Very high | 91.8 | Very high | 37 Ų | 37 | 71.3 Ų | 71.3 | 17% | 0.173 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -68.8 | -40.6 | -175.3 | -173.3 | 73.5 | -178.6 | 0 | 0 | 112.7 | S26 S64 K67 R73 | E22-S26 VanDerWaalsContact O-CB 3.29Å; E22-S26 WeakPolarHBondContact O-CB 3.3Å; E22-S26 PolarHBondContact O-N 2.8Å; E22-S26 PolarHBondContact O-OG 3.17Å; E22-S64 PolarHBondContact OE1-OG 3.25Å; E22-S64 PolarHBondContact OE2-OG 2.91Å; E22-K67 IonicContact OE1-NZ 3.84Å; E22-K67 PolarHBondContact OE1-NZ 3.29Å; E22-R73 VanDerWaalsContact CD-NH1 3.32Å; E22-R73 IonicContact OE1-CZ 2.91Å; E22-R73 IonicContact OE1-NH1 3.82Å; E22-R73 PolarHBondContact OE1-NH1 3.31Å; E22-R73 IonicContact OE1-NH2 2.79Å; E22-R73 PolarHBondContact OE1-NH2 3.15Å; E22-R73 IonicContact OE2-CZ 3.59Å; E22-R73 IonicContact OE2-NH1 2.79Å; E22-R73 PolarHBondContact OE2-NH1 3.28Å; E22-R73 VanDerWaalsContact OE2-NH1 3.08Å; E22-R73 IonicContact OE2-NH2 3.44Å; E22-R73 PolarHBondContact OE2-NH2 3.29Å |
| 23 | P | 93.5 | Very high | 91.8 | Very high | 75 Ų | 75 | 62.6 Ų | 62.6 | 49% | 0.487 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.7 | -45.6 | 172.1 | -25.3 | 35.3 | 0 | 0 | 0 | 113.1 | D19 L25 S26 L27 | D19-P23 WeakPolarHBondContact O-CD 3.19Å; D19-P23 VanDerWaalsContact O-CG 3.27Å; D19-P23 WeakPolarHBondContact O-CG 3.39Å; P23-L25 VanDerWaalsContact C-N 3.35Å; P23-L25 PolarHBondContact O-N 2.82Å; P23-S26 PolarHBondContact O-N 3.05Å; P23-L27 VanDerWaalsContact O-CB 3.29Å; P23-L27 WeakPolarHBondContact O-CB 3.44Å; P23-L27 PolarHBondContact O-N 3.19Å |
| 24 | T | 95.3 | Very high | 91.7 | Very high | 4 Ų | 4 | 62.6 Ų | 62.6 | 3% | 0.025 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.3 | -43 | 179.1 | -58.6 | 0 | 0 | 0 | 0 | 110.8 | D20 I21 L28 L45 W48 L49 L52 | D20-T24 WeakPolarHBondContact O-CB 3.44Å; D20-T24 PolarHBondContact O-N 2.92Å; D20-T24 PolarHBondContact O-OG1 3.42Å; I21-T24 PolarHBondContact O-N 3.24Å; T24-L28 WeakPolarHBondContact O-CB 3.33Å; T24-L28 PolarHBondContact O-N 3.36Å; T24-L45 HydrophobicContact CG2-CD2 4.06Å; T24-W48 HydrophobicContact CG2-CD2 4.27Å; T24-W48 HydrophobicContact CG2-CE3 3.95Å; T24-L49 HydrophobicContact CG2-CB 4.21Å; T24-L52 HydrophobicContact CG2-CD1 4.07Å; T24-L52 WeakPolarHBondContact OG1-CD1 3.39Å |
| 25 | L | 94.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.8 | -47.5 | 176 | -178.9 | 62.4 | 0 | 0 | 0 | 111.4 | I21 P23 L28 M29 L49 I70 R73 V74 L77 | I21-L25 WeakPolarHBondContact O-CB 3.37Å; I21-L25 PolarHBondContact O-N 3.37Å; P23-L25 VanDerWaalsContact C-N 3.35Å; P23-L25 PolarHBondContact O-N 2.82Å; L25-L28 PolarHBondContact O-N 2.91Å; L25-M29 HydrophobicContact CG-SD 4.24Å; L25-M29 VanDerWaalsContact O-CG 3.29Å; L25-M29 WeakPolarHBondContact O-CG 3.44Å; L25-M29 PolarHBondContact O-N 3.48Å; L25-L49 HydrophobicContact CD1-CD2 4.04Å; L25-I70 HydrophobicContact CD2-CG2 4.41Å; L25-R73 HydrophobicContact CD2-CB 4.08Å; L25-V74 HydrophobicContact CD1-CG2 3.99Å; L25-V74 HydrophobicContact CD2-CG2 4.45Å; L25-L77 HydrophobicContact CD1-CD1 3.32Å |
| 26 | S | 93.5 | Very high | 91.1 | Very high | 31 Ų | 31 | 64.3 Ų | 64.3 | 22% | 0.217 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.9 | -46.5 | -179.9 | -56.9 | 0 | 0 | 0 | 0 | 111.4 | E22 P23 L28 M29 E30 | E22-S26 VanDerWaalsContact O-CB 3.29Å; E22-S26 WeakPolarHBondContact O-CB 3.3Å; E22-S26 PolarHBondContact O-N 2.8Å; E22-S26 PolarHBondContact O-OG 3.17Å; P23-S26 PolarHBondContact O-N 3.05Å; S26-L28 VanDerWaalsContact C-N 3.27Å; S26-L28 PolarHBondContact O-N 3.42Å; S26-M29 WeakPolarHBondContact O-CB 3.44Å; S26-M29 PolarHBondContact O-N 2.98Å; S26-M29 VanDerWaalsContact O-N 3.08Å; S26-E30 WeakPolarHBondContact O-CG 3.27Å; S26-E30 PolarHBondContact O-N 3.19Å |
| 27 | L | 95.1 | Very high | 91 | Very high | 77 Ų | 77 | 66.2 Ų | 66.2 | 40% | 0.403 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.7 | -38.9 | 177.2 | -177.4 | 62 | 0 | 0 | 0 | 111.7 | P23 E30 Q31 L45 | P23-L27 VanDerWaalsContact O-CB 3.29Å; P23-L27 WeakPolarHBondContact O-CB 3.44Å; P23-L27 PolarHBondContact O-N 3.19Å; L27-E30 PolarHBondContact O-N 3.41Å; L27-Q31 WeakPolarHBondContact O-CG 3.4Å; L27-Q31 PolarHBondContact O-N 3.06Å; L27-Q31 PolarHBondContact O-NE2 2.98Å; L27-L45 HydrophobicContact CD2-CD1 4.05Å; L27-L45 HydrophobicContact CD2-CD2 3.79Å; L27-L45 HydrophobicContact CG-CD1 3.89Å; L27-L45 HydrophobicContact CG-CD2 4.39Å |
| 28 | L | 94.7 | Very high | 90.8 | Very high | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.005 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -68.8 | -35.1 | 176.1 | -178.5 | 60.7 | 0 | 0 | 0 | 112.8 | T24 L25 S26 E30 Q31 R42 L45 I46 L49 L77 Y81 | T24-L28 WeakPolarHBondContact O-CB 3.33Å; T24-L28 PolarHBondContact O-N 3.36Å; L25-L28 PolarHBondContact O-N 2.91Å; S26-L28 VanDerWaalsContact C-N 3.27Å; S26-L28 PolarHBondContact O-N 3.42Å; L28-E30 VanDerWaalsContact C-N 3.31Å; L28-Q31 PolarHBondContact O-N 3.09Å; L28-R42 HydrophobicContact CD1-CB 4.42Å; L28-L45 HydrophobicContact CB-CB 4.33Å; L28-L45 HydrophobicContact CB-CD1 4.32Å; L28-L45 HydrophobicContact CD1-CB 4.03Å; L28-L45 HydrophobicContact CD1-CD1 4.37Å; L28-I46 HydrophobicContact CD1-CG1 3.93Å; L28-I46 HydrophobicContact CD2-CG1 3.73Å; L28-L49 HydrophobicContact CD2-CD2 4.09Å; L28-L77 HydrophobicContact CD2-CD1 4.08Å; L28-L77 HydrophobicContact CG-CD1 4.3Å; L28-Y81 HydrophobicContact CD1-CE2 3.74Å; L28-Y81 WeakPolarHBondContact CD1-OH 3.5Å; L28-Y81 HydrophobicContact CD2-CE2 4.29Å; L28-Y81 HydrophobicContact CG-CE2 4.03Å |
| 29 | M | 93.5 | Very high | 90.9 | Very high | 103 Ų | 103 | 67.4 Ų | 67.4 | 51% | 0.507 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -68.9 | -28.6 | 175.5 | -70.7 | 176.3 | 70.2 | 0 | 0 | 112.8 | L25 S26 Q31 L77 | L25-M29 HydrophobicContact CG-SD 4.24Å; L25-M29 VanDerWaalsContact O-CG 3.29Å; L25-M29 WeakPolarHBondContact O-CG 3.44Å; L25-M29 PolarHBondContact O-N 3.48Å; S26-M29 WeakPolarHBondContact O-CB 3.44Å; S26-M29 PolarHBondContact O-N 2.98Å; S26-M29 VanDerWaalsContact O-N 3.08Å; M29-Q31 VanDerWaalsContact C-N 3.33Å; M29-L77 HydrophobicContact CG-CD1 3.71Å; M29-L77 HydrophobicContact CG-CD2 4.06Å; M29-L77 HydrophobicContact CG-CG 4.25Å |
| 30 | E | 93.5 | Very high | 91 | Very high | 149 Ų | 149 | 65.2 Ų | 65.2 | 70% | 0.696 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -13.6 | 177.6 | -71.7 | 172.5 | -170.9 | 0 | 0 | 113.6 | S26 L27 L28 | S26-E30 WeakPolarHBondContact O-CG 3.27Å; S26-E30 PolarHBondContact O-N 3.19Å; L27-E30 PolarHBondContact O-N 3.41Å; L28-E30 VanDerWaalsContact C-N 3.31Å |
| 31 | Q | 92.4 | Very high | 90.9 | Very high | 48 Ų | 48 | 66.1 Ų | 66.1 | 22% | 0.224 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -71.2 | 135.8 | 179.8 | -60.5 | -59.8 | -74.5 | 0 | 0 | 111.5 | L27 L28 M29 I33 R42 L45 | L27-Q31 WeakPolarHBondContact O-CG 3.4Å; L27-Q31 PolarHBondContact O-N 3.06Å; L27-Q31 PolarHBondContact O-NE2 2.98Å; L28-Q31 PolarHBondContact O-N 3.09Å; M29-Q31 VanDerWaalsContact C-N 3.33Å; Q31-I33 PolarHBondContact O-N 3.14Å; Q31-R42 HydrophobicContact CB-CG 3.75Å; Q31-R42 HydrophobicContact CG-CG 3.89Å; Q31-L45 HydrophobicContact CG-CD1 4.24Å |
| 32 | D | 89.4 | Confident | 91 | Very high | 89 Ų | 89 | 66.1 Ų | 66.1 | 48% | 0.476 | 34% | 0.343 | S | S | . | . | trans | -72 | 126.1 | 166.8 | -178 | 10 | 0 | 0 | 0 | 109.9 | N34 D35 R42 | D32-N34 VanDerWaalsContact C-N 3.3Å; D32-N34 PolarHBondContact OD1-N 3.5Å; D32-N34 PolarHBondContact OD1-ND2 2.88Å; D32-D35 HydrophobicContact CB-CB 4.09Å; D32-R42 PolarHBondContact O-NH1 2.93Å | ||
| 33 | I | 86.4 | Confident | 91 | Very high | 33 Ų | 33 | 65 Ų | 65 | 17% | 0.169 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -24.9 | 177.9 | -163.9 | 161.6 | 0 | 0 | 0 | 112.7 | Q31 L80 Y81 Q84 | Q31-I33 PolarHBondContact O-N 3.14Å; I33-L80 HydrophobicContact CD1-CD1 3.99Å; I33-L80 HydrophobicContact CD1-CD2 3.9Å; I33-L80 HydrophobicContact CD1-CG 3.58Å; I33-Y81 HydrophobicContact CD1-CD1 4.4Å; I33-Y81 HydrophobicContact CD1-CE1 4.3Å; I33-Y81 HydrophobicContact CG1-CE1 4.26Å; I33-Q84 HydrophobicContact CD1-CG 3.8Å; I33-Q84 HydrophobicContact CG1-CG 3.99Å |
| 34 | N | 85.6 | Confident | 91 | Very high | 133 Ų | 133 | 64.6 Ų | 64.6 | 71% | 0.711 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -8.1 | -179.8 | -58.2 | -58.4 | 0 | 0 | 0 | 112.9 | D32 S36 | D32-N34 VanDerWaalsContact C-N 3.3Å; D32-N34 PolarHBondContact OD1-N 3.5Å; D32-N34 PolarHBondContact OD1-ND2 2.88Å; N34-S36 PolarHBondContact O-N 2.76Å |
| 35 | D | 88 | Confident | 91 | Very high | 44 Ų | 44 | 64.9 Ų | 64.9 | 24% | 0.235 | 33% | 0.334 | C | S | . | . | trans | -73.5 | 99.7 | 179.3 | -179.3 | 6.3 | 0 | 0 | 0 | 111.1 | D32 K37 N38 R42 | D32-D35 HydrophobicContact CB-CB 4.09Å; D35-K37 PolarHBondContact O-N 2.91Å; D35-K37 WeakPolarHBondContact OD1-CB 3.28Å; D35-K37 PolarHBondContact OD1-N 2.66Å; D35-N38 WeakPolarHBondContact OD2-CB 3.47Å; D35-N38 PolarHBondContact OD2-ND2 3.25Å; D35-R42 VanDerWaalsContact O-CZ 3.23Å; D35-R42 PolarHBondContact O-NH1 3.15Å; D35-R42 PolarHBondContact O-NH2 3.38Å | ||
| 36 | S | 82.5 | Confident | 91.1 | Very high | 91 Ų | 91 | 65 Ų | 65 | 64% | 0.636 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -12.3 | 178.4 | 57 | 0 | 0 | 0 | 0 | 114.2 | N34 | N34-S36 PolarHBondContact O-N 2.76Š|
| 37 | K | 86.6 | Confident | 91.1 | Very high | 175 Ų | 175 | 63.5 Ų | 63.5 | 76% | 0.761 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -26.1 | -178.8 | -66.7 | -175.5 | 178.3 | 179.5 | 0 | 113.7 | D35 | D35-K37 PolarHBondContact O-N 2.91Å; D35-K37 WeakPolarHBondContact OD1-CB 3.28Å; D35-K37 PolarHBondContact OD1-N 2.66Å |
| 38 | N | 87.7 | Confident | 91.1 | Very high | 76 Ų | 76 | 62.5 Ų | 62.5 | 41% | 0.406 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -115.1 | 24.8 | -174.9 | -68.2 | -52.9 | 0 | 0 | 0 | 113.7 | D35 E40 T41 | D35-N38 WeakPolarHBondContact OD2-CB 3.47Å; D35-N38 PolarHBondContact OD2-ND2 3.25Å; N38-E40 PolarHBondContact O-N 3.33Å; N38-T41 WeakPolarHBondContact O-CB 3.47Å; N38-T41 PolarHBondContact O-N 3.17Å; N38-T41 VanDerWaalsContact O-N 3.15Å |
| 39 | W | 88.9 | Confident | 91.1 | Very high | 71 Ų | 71 | 62.4 Ų | 62.4 | 27% | 0.269 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.4 | -28.8 | -179.3 | 73.8 | -88.4 | 0 | 0 | 0 | 113.1 | T41 R42 Y43 E86 R87 | W39-T41 VanDerWaalsContact C-N 3.3Å; W39-T41 PolarHBondContact O-N 2.95Å; W39-R42 VanDerWaalsContact CA-NH2 3.28Å; W39-R42 PolarHBondContact O-N 2.94Å; W39-Y43 HydrophobicContact CZ3-CD1 4.29Å; W39-Y43 HydrophobicContact CZ3-CG 4.25Å; W39-Y43 WeakPolarHBondContact O-CB 3.38Å; W39-Y43 PolarHBondContact O-N 3.5Å; W39-E86 WeakPolarHBondContact CB-OE2 3.28Å; W39-R87 HydrophobicContact CE3-CB 4.48Å; W39-R87 HydrophobicContact CH2-CB 4.47Å; W39-R87 HydrophobicContact CH2-CG 4.24Å; W39-R87 HydrophobicContact CZ3-CB 3.75Å; W39-R87 HydrophobicContact CZ3-CG 4.01Å |
| 40 | E | 91.3 | Very high | 91.2 | Very high | 91 Ų | 91 | 57.5 Ų | 57.5 | 43% | 0.425 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.7 | -39.1 | 176.1 | -66.7 | 86.4 | 168.3 | 0 | 0 | 111.8 | N38 Y43 V44 | N38-E40 PolarHBondContact O-N 3.33Å; E40-Y43 PolarHBondContact O-N 3.48Å; E40-V44 WeakPolarHBondContact O-CG2 3.34Å; E40-V44 PolarHBondContact O-N 3.36Å |
| 41 | T | 92.6 | Very high | 91.2 | Very high | 59 Ų | 59 | 52.1 Ų | 52.1 | 36% | 0.362 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.1 | -51.6 | 176.9 | -57.2 | 0 | 0 | 0 | 0 | 109.9 | N38 W39 Y43 V44 L45 | N38-T41 WeakPolarHBondContact O-CB 3.47Å; N38-T41 PolarHBondContact O-N 3.17Å; N38-T41 VanDerWaalsContact O-N 3.15Å; W39-T41 VanDerWaalsContact C-N 3.3Å; W39-T41 PolarHBondContact O-N 2.95Å; T41-Y43 VanDerWaalsContact C-N 3.31Å; T41-Y43 PolarHBondContact O-N 3.44Å; T41-V44 PolarHBondContact O-N 3.41Å; T41-L45 HydrophobicContact CG2-CD1 3.94Å; T41-L45 HydrophobicContact CG2-CG 4.44Å; T41-L45 WeakPolarHBondContact O-CB 3.37Å; T41-L45 VanDerWaalsContact O-CG 3.27Å; T41-L45 WeakPolarHBondContact O-CG 3.22Å; T41-L45 PolarHBondContact O-N 2.75Å |
| 42 | R | 93.3 | Very high | 91.2 | Very high | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.008 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.1 | -45.2 | 175.6 | -60.7 | -171.7 | -61.3 | -91.7 | 0.2 | 111.4 | L28 Q31 D32 D35 W39 V44 L45 I46 Y81 E86 T88 | L28-R42 HydrophobicContact CD1-CB 4.42Å; Q31-R42 HydrophobicContact CB-CG 3.75Å; Q31-R42 HydrophobicContact CG-CG 3.89Å; D32-R42 PolarHBondContact O-NH1 2.93Å; D35-R42 VanDerWaalsContact O-CZ 3.23Å; D35-R42 PolarHBondContact O-NH1 3.15Å; D35-R42 PolarHBondContact O-NH2 3.38Å; W39-R42 VanDerWaalsContact CA-NH2 3.28Å; W39-R42 PolarHBondContact O-N 2.94Å; R42-V44 PolarHBondContact O-N 3.47Å; R42-L45 PolarHBondContact O-N 3.03Å; R42-I46 WeakPolarHBondContact O-CD1 3.36Å; R42-I46 WeakPolarHBondContact O-CG1 3.47Å; R42-I46 PolarHBondContact O-N 3.1Å; R42-Y81 HydrophobicContact CB-CE1 4.24Å; R42-Y81 WeakPolarHBondContact CD-OH 3.32Å; R42-Y81 HydrophobicContact CG-CE1 4.47Å; R42-E86 IonicContact NH2-OE2 3.34Å; R42-T88 HydrophobicContact CB-CG2 4.22Å |
| 43 | Y | 93.1 | Very high | 91.4 | Very high | 12 Ų | 12 | 45.6 Ų | 45.6 | 5% | 0.047 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.9 | -45.3 | 178.9 | 178.4 | -119.2 | 0 | 0 | 0 | 112.7 | T2 W39 E40 T41 L47 R87 A91 | T2-Y43 HydrophobicContact CG2-CE1 4.11Å; W39-Y43 HydrophobicContact CZ3-CD1 4.29Å; W39-Y43 HydrophobicContact CZ3-CG 4.25Å; W39-Y43 WeakPolarHBondContact O-CB 3.38Å; W39-Y43 PolarHBondContact O-N 3.5Å; E40-Y43 PolarHBondContact O-N 3.48Å; T41-Y43 VanDerWaalsContact C-N 3.31Å; T41-Y43 PolarHBondContact O-N 3.44Å; Y43-L47 HydrophobicContact CD1-CD1 4.17Å; Y43-L47 HydrophobicContact CD2-CD1 4.37Å; Y43-L47 HydrophobicContact CE1-CD1 3.69Å; Y43-L47 HydrophobicContact CE2-CD1 3.91Å; Y43-L47 HydrophobicContact CE2-CD2 4.46Å; Y43-L47 HydrophobicContact CE2-CG 4.21Å; Y43-L47 HydrophobicContact CG-CD1 4.5Å; Y43-L47 WeakPolarHBondContact O-CG 3.42Å; Y43-L47 PolarHBondContact O-N 3.28Å; Y43-L47 VanDerWaalsContact O-N 3.16Å; Y43-R87 HydrophobicContact CD2-CB 3.81Å; Y43-R87 WeakPolarHBondContact CD2-O 3.07Å; Y43-R87 HydrophobicContact CE2-CB 3.72Å; Y43-R87 WeakPolarHBondContact CE2-O 3.46Å; Y43-R87 HydrophobicContact CG-CB 4.25Å; Y43-A91 HydrophobicContact CD2-CB 3.83Å; Y43-A91 HydrophobicContact CE2-CB 3.79Å |
| 44 | V | 93.7 | Very high | 91.5 | Very high | 68 Ų | 68 | 48.7 Ų | 48.7 | 41% | 0.412 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -67.8 | -43 | 178.6 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | M14 E40 T41 R42 I46 L47 W48 | M14-V44 HydrophobicContact CE-CG1 4.12Å; E40-V44 WeakPolarHBondContact O-CG2 3.34Å; E40-V44 PolarHBondContact O-N 3.36Å; T41-V44 PolarHBondContact O-N 3.41Å; R42-V44 PolarHBondContact O-N 3.47Å; V44-I46 PolarHBondContact O-N 2.95Å; V44-L47 PolarHBondContact O-N 3.3Å; V44-W48 WeakPolarHBondContact O-CB 3.4Å; V44-W48 PolarHBondContact O-N 3.44Å |
| 45 | L | 95.1 | Very high | 91.7 | Very high | 10 Ų | 10 | 43 Ų | 43 | 5% | 0.052 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.3 | -42.9 | 177.7 | -69.6 | 172.5 | 0 | 0 | 0 | 112.1 | T24 L27 L28 Q31 T41 R42 L47 W48 L49 | T24-L45 HydrophobicContact CG2-CD2 4.06Å; L27-L45 HydrophobicContact CD2-CD1 4.05Å; L27-L45 HydrophobicContact CD2-CD2 3.79Å; L27-L45 HydrophobicContact CG-CD1 3.89Å; L27-L45 HydrophobicContact CG-CD2 4.39Å; L28-L45 HydrophobicContact CB-CB 4.33Å; L28-L45 HydrophobicContact CB-CD1 4.32Å; L28-L45 HydrophobicContact CD1-CB 4.03Å; L28-L45 HydrophobicContact CD1-CD1 4.37Å; Q31-L45 HydrophobicContact CG-CD1 4.24Å; T41-L45 HydrophobicContact CG2-CD1 3.94Å; T41-L45 HydrophobicContact CG2-CG 4.44Å; T41-L45 WeakPolarHBondContact O-CB 3.37Å; T41-L45 VanDerWaalsContact O-CG 3.27Å; T41-L45 WeakPolarHBondContact O-CG 3.22Å; T41-L45 PolarHBondContact O-N 2.75Å; R42-L45 PolarHBondContact O-N 3.03Å; L45-L47 PolarHBondContact O-N 3.43Å; L45-W48 HydrophobicContact CD2-CE3 4.25Å; L45-W48 PolarHBondContact O-N 3.09Å; L45-L49 VanDerWaalsContact O-CB 3.27Å; L45-L49 WeakPolarHBondContact O-CB 3.25Å; L45-L49 PolarHBondContact O-N 2.84Å |
| 46 | I | 95.4 | Very high | 91.6 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64 | -41.9 | 176.8 | -63.7 | 161.4 | 0 | 0 | 0 | 111 | L28 R42 V44 S50 Y81 T88 A91 A92 L95 | L28-I46 HydrophobicContact CD1-CG1 3.93Å; L28-I46 HydrophobicContact CD2-CG1 3.73Å; R42-I46 WeakPolarHBondContact O-CD1 3.36Å; R42-I46 WeakPolarHBondContact O-CG1 3.47Å; R42-I46 PolarHBondContact O-N 3.1Å; V44-I46 PolarHBondContact O-N 2.95Å; I46-S50 PolarHBondContact O-N 2.9Å; I46-Y81 HydrophobicContact CD1-CD1 3.81Å; I46-Y81 HydrophobicContact CD1-CD2 3.71Å; I46-Y81 HydrophobicContact CD1-CE1 4.16Å; I46-Y81 HydrophobicContact CD1-CE2 4.08Å; I46-Y81 HydrophobicContact CD1-CG 3.59Å; I46-Y81 HydrophobicContact CG1-CD2 4.25Å; I46-Y81 HydrophobicContact CG1-CE2 4.44Å; I46-T88 HydrophobicContact CD1-CG2 4.26Å; I46-A91 HydrophobicContact CB-CB 3.98Å; I46-A91 VanDerWaalsContact CG2-C 3.42Å; I46-A91 HydrophobicContact CG2-CB 3.52Å; I46-A92 HydrophobicContact CG2-CB 4.42Å; I46-L95 HydrophobicContact CG2-CB 4.13Å; I46-L95 HydrophobicContact CG2-CD2 3.93Å |
| 47 | L | 94 | Very high | 91.9 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66 | -40.3 | 176.3 | -70.6 | 174.7 | 0 | 0 | 0 | 111.9 | Y7 I11 M14 Y43 V44 L45 S50 A91 | Y7-L47 HydrophobicContact CD2-CD2 3.78Å; Y7-L47 HydrophobicContact CG-CD2 4.04Å; I11-L47 HydrophobicContact CD1-CD2 3.92Å; I11-L47 HydrophobicContact CG1-CB 4.35Å; I11-L47 HydrophobicContact CG1-CD2 4.41Å; M14-L47 HydrophobicContact CE-CB 4.2Å; Y43-L47 HydrophobicContact CD1-CD1 4.17Å; Y43-L47 HydrophobicContact CD2-CD1 4.37Å; Y43-L47 HydrophobicContact CE1-CD1 3.69Å; Y43-L47 HydrophobicContact CE2-CD1 3.91Å; Y43-L47 HydrophobicContact CE2-CD2 4.46Å; Y43-L47 HydrophobicContact CE2-CG 4.21Å; Y43-L47 HydrophobicContact CG-CD1 4.5Å; Y43-L47 WeakPolarHBondContact O-CG 3.42Å; Y43-L47 PolarHBondContact O-N 3.28Å; Y43-L47 VanDerWaalsContact O-N 3.16Å; V44-L47 PolarHBondContact O-N 3.3Å; L45-L47 PolarHBondContact O-N 3.43Å; L47-S50 WeakPolarHBondContact O-CB 3.3Å; L47-S50 PolarHBondContact O-N 3.39Å; L47-S50 PolarHBondContact O-OG 2.92Å; L47-A91 HydrophobicContact CD2-CB 3.6Å; L47-A91 HydrophobicContact CG-CB 3.81Å |
| 48 | W | 95.6 | Very high | 92 | Very high | 55 Ų | 55 | 41.2 Ų | 41.2 | 21% | 0.208 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.2 | -47.3 | 178.3 | -172.1 | 14.3 | 0 | 0 | 0 | 110.9 | M14 P15 D20 T24 V44 L45 S50 I51 L52 | M14-W48 HydrophobicContact CE-CB 4.47Å; M14-W48 VanDerWaalsContact SD-CA 3.59Å; M14-W48 HydrophobicContact SD-CB 3.93Å; M14-W48 HydrophobicContact SD-CG 4.37Å; P15-W48 HydrophobicContact CG-CZ2 3.67Å; P15-W48 PolarHBondContact O-NE1 3.2Å; D20-W48 HydrophobicContact CB-CH2 4.42Å; D20-W48 HydrophobicContact CB-CZ2 3.87Å; T24-W48 HydrophobicContact CG2-CD2 4.27Å; T24-W48 HydrophobicContact CG2-CE3 3.95Å; V44-W48 WeakPolarHBondContact O-CB 3.4Å; V44-W48 PolarHBondContact O-N 3.44Å; L45-W48 HydrophobicContact CD2-CE3 4.25Å; L45-W48 PolarHBondContact O-N 3.09Å; W48-S50 PolarHBondContact O-N 2.83Å; W48-I51 PolarHBondContact O-N 3.29Å; W48-L52 HydrophobicContact CD2-CD1 4.24Å; W48-L52 HydrophobicContact CG-CD1 4.16Å; W48-L52 WeakPolarHBondContact O-CG 3.37Å; W48-L52 PolarHBondContact O-N 3.12Å; W48-L52 VanDerWaalsContact O-N 3.12Å |
| 49 | L | 95.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.3 | -33.9 | 174.7 | -169.4 | 58.9 | 0 | 0 | 0 | 111.9 | T24 L25 L28 L45 I51 L52 V53 V74 L95 | T24-L49 HydrophobicContact CG2-CB 4.21Å; L25-L49 HydrophobicContact CD1-CD2 4.04Å; L28-L49 HydrophobicContact CD2-CD2 4.09Å; L45-L49 VanDerWaalsContact O-CB 3.27Å; L45-L49 WeakPolarHBondContact O-CB 3.25Å; L45-L49 PolarHBondContact O-N 2.84Å; L49-I51 PolarHBondContact O-N 3.01Å; L49-L52 HydrophobicContact CD1-CB 4.44Å; L49-L52 PolarHBondContact O-N 3.24Å; L49-V53 HydrophobicContact CD1-CG1 4.17Å; L49-V53 HydrophobicContact CG-CG1 4.26Å; L49-V53 WeakPolarHBondContact O-CG1 3.37Å; L49-V53 WeakPolarHBondContact O-CG2 3.4Å; L49-V53 PolarHBondContact O-N 3.26Å; L49-V74 HydrophobicContact CD2-CG2 4.27Å; L49-L95 HydrophobicContact CB-CD1 4.29Å; L49-L95 HydrophobicContact CD2-CD1 4.41Å; L49-L95 HydrophobicContact CD2-CD2 3.94Å; L49-L95 HydrophobicContact CG-CD1 3.98Å; L49-L95 HydrophobicContact CG-CD2 4.33Å |
| 50 | S | 94 | Very high | 92 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.5 | -20.6 | 178.2 | 79.6 | 0 | 0 | 0 | 0 | 114.8 | I46 L47 W48 F94 | I46-S50 PolarHBondContact O-N 2.9Å; L47-S50 WeakPolarHBondContact O-CB 3.3Å; L47-S50 PolarHBondContact O-N 3.39Å; L47-S50 PolarHBondContact O-OG 2.92Å; W48-S50 PolarHBondContact O-N 2.83Å; S50-F94 WeakPolarHBondContact OG-CD1 3.41Å; S50-F94 WeakPolarHBondContact OG-CE1 3.43Å |
| 51 | I | 93.3 | Very high | 91.8 | Very high | 35 Ų | 35 | 40.5 Ų | 40.5 | 18% | 0.179 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -94 | -39.4 | 171.4 | -72.5 | -71.7 | 0 | 0 | 0 | 111.5 | I11 H16 W48 L49 V53 M54 | I11-I51 HydrophobicContact CB-CG1 4.41Å; I11-I51 HydrophobicContact CG2-CD1 3.34Å; I11-I51 HydrophobicContact CG2-CG1 3.35Å; H16-I51 HydrophobicContact CB-CG2 3.66Å; W48-I51 PolarHBondContact O-N 3.29Å; L49-I51 PolarHBondContact O-N 3.01Å; I51-V53 PolarHBondContact O-N 2.75Å; I51-M54 HydrophobicContact CD1-SD 3.93Å; I51-M54 VanDerWaalsContact O-CB 3.29Å; I51-M54 WeakPolarHBondContact O-CB 3.37Å; I51-M54 PolarHBondContact O-N 2.91Å |
| 52 | L | 93.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.3 | -35.6 | 178.2 | -68.2 | 173.2 | 0 | 0 | 0 | 111.9 | T17 D20 I21 T24 W48 L49 M54 V55 | T17-L52 WeakPolarHBondContact O-CD2 3.49Å; D20-L52 HydrophobicContact CB-CD1 3.95Å; D20-L52 HydrophobicContact CB-CD2 3.83Å; I21-L52 HydrophobicContact CG1-CB 3.82Å; T24-L52 HydrophobicContact CG2-CD1 4.07Å; T24-L52 WeakPolarHBondContact OG1-CD1 3.39Å; W48-L52 HydrophobicContact CD2-CD1 4.24Å; W48-L52 HydrophobicContact CG-CD1 4.16Å; W48-L52 WeakPolarHBondContact O-CG 3.37Å; W48-L52 PolarHBondContact O-N 3.12Å; W48-L52 VanDerWaalsContact O-N 3.12Å; L49-L52 HydrophobicContact CD1-CB 4.44Å; L49-L52 PolarHBondContact O-N 3.24Å; L52-M54 PolarHBondContact O-N 3.16Å; L52-V55 WeakPolarHBondContact O-CG1 3.26Å; L52-V55 PolarHBondContact O-N 3.05Å |
| 53 | V | 92.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -2.1 | 173.9 | -59.3 | 0 | 0 | 0 | 0 | 114 | L49 I51 V55 V74 L95 H98 R102 | L49-V53 HydrophobicContact CD1-CG1 4.17Å; L49-V53 HydrophobicContact CG-CG1 4.26Å; L49-V53 WeakPolarHBondContact O-CG1 3.37Å; L49-V53 WeakPolarHBondContact O-CG2 3.4Å; L49-V53 PolarHBondContact O-N 3.26Å; I51-V53 PolarHBondContact O-N 2.75Å; V53-V55 VanDerWaalsContact C-N 3.31Å; V53-V74 HydrophobicContact CG1-CG1 4.29Å; V53-V74 HydrophobicContact CG1-CG2 4.28Å; V53-L95 HydrophobicContact CG1-CD1 4.17Å; V53-L95 HydrophobicContact CG2-CD1 3.96Å; V53-H98 HydrophobicContact CG2-CB 4.15Å; V53-R102 WeakPolarHBondContact O-CD 3.25Å; V53-R102 PolarHBondContact O-NH1 3.42Å |
| 54 | M | 89.8 | Confident | 91 | Very high | 99 Ų | 99 | 43.7 Ų | 43.7 | 49% | 0.488 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | 10.5 | 176.4 | -63.2 | -173.9 | 62.1 | 0 | 0 | 113.5 | I51 L52 H98 | I51-M54 HydrophobicContact CD1-SD 3.93Å; I51-M54 VanDerWaalsContact O-CB 3.29Å; I51-M54 WeakPolarHBondContact O-CB 3.37Å; I51-M54 PolarHBondContact O-N 2.91Å; L52-M54 PolarHBondContact O-N 3.16Å; M54-H98 PolarHBondContact SD-CE1 3.29Å; M54-H98 PolarHBondContact SD-ND1 3.07Å |
| 55 | V | 90 | Very high | 90.6 | Very high | 12 Ų | 12 | 50.9 Ų | 50.9 | 7% | 0.073 | 26% | 0.264 | C | S | . | . | trans | -53.3 | 142.7 | 175.5 | -73.2 | 0 | 0 | 0 | 0 | 112 | V18 I21 L52 V53 F57 L59 R102 | V18-V55 HydrophobicContact CG2-CG1 4.06Å; I21-V55 HydrophobicContact CD1-CG1 4.08Å; I21-V55 HydrophobicContact CD1-CG2 4.15Å; L52-V55 WeakPolarHBondContact O-CG1 3.26Å; L52-V55 PolarHBondContact O-N 3.05Å; V53-V55 VanDerWaalsContact C-N 3.31Å; V55-F57 VanDerWaalsContact C-N 3.27Å; V55-F57 HydrophobicContact CB-CD1 4.48Å; V55-F57 HydrophobicContact CB-CE1 4.01Å; V55-F57 HydrophobicContact CB-CZ 4.02Å; V55-F57 HydrophobicContact CG1-CE1 4.43Å; V55-F57 HydrophobicContact CG1-CZ 4.31Å; V55-F57 HydrophobicContact CG2-CE2 4.32Å; V55-F57 HydrophobicContact CG2-CZ 4.27Å; V55-F57 PolarHBondContact O-N 3.12Å; V55-L59 HydrophobicContact CG2-CD2 3.54Å; V55-L59 HydrophobicContact CG2-CG 4.38Å; V55-R102 PolarHBondContact O-NH1 2.68Å | ||
| 56 | P | 85.5 | Confident | 90.1 | Very high | 129 Ų | 129 | 54.3 Ų | 54.3 | 84% | 0.838 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -77 | -5.1 | -168.4 | 29.8 | -35.6 | 0 | 0 | 0 | 115.1 | ||
| 57 | F | 88 | Confident | 89.7 | Confident | 80 Ų | 80 | 59.6 Ų | 59.6 | 35% | 0.351 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -115.7 | 167 | -178 | 53.2 | -95.1 | 0 | 0 | 0 | 111.7 | V18 V55 L59 L62 R102 | V18-F57 HydrophobicContact CB-CZ 4.21Å; V18-F57 HydrophobicContact CG1-CE2 4.22Å; V18-F57 HydrophobicContact CG1-CZ 3.64Å; V18-F57 HydrophobicContact CG2-CE1 3.81Å; V18-F57 HydrophobicContact CG2-CZ 3.46Å; V18-F57 VanDerWaalsContact CG2-CZ 3.46Å; V55-F57 VanDerWaalsContact C-N 3.27Å; V55-F57 HydrophobicContact CB-CD1 4.48Å; V55-F57 HydrophobicContact CB-CE1 4.01Å; V55-F57 HydrophobicContact CB-CZ 4.02Å; V55-F57 HydrophobicContact CG1-CE1 4.43Å; V55-F57 HydrophobicContact CG1-CZ 4.31Å; V55-F57 HydrophobicContact CG2-CE2 4.32Å; V55-F57 HydrophobicContact CG2-CZ 4.27Å; V55-F57 PolarHBondContact O-N 3.12Å; F57-L59 PolarHBondContact O-N 3.34Å; F57-L62 HydrophobicContact CE2-CD1 3.75Å; F57-L62 HydrophobicContact CE2-CD2 4.08Å; F57-L62 HydrophobicContact CE2-CG 3.92Å; F57-L62 HydrophobicContact CZ-CD1 4.3Å; F57-R102 PolarHBondContact O-NH2 3.49Å |
| 58 | N | 89 | Confident | 89.5 | Confident | 65 Ų | 65 | 65.1 Ų | 65.1 | 35% | 0.348 | 35% | 0.349 | S | S | . | . | trans | -64.5 | 126.2 | -176.1 | -175.3 | -5.9 | 0 | 0 | 0 | 111.3 | E60 S61 D104 | N58-E60 PolarHBondContact ND2-OE2 2.83Å; N58-E60 VanDerWaalsContact ND2-OE2 3.09Å; N58-E60 PolarHBondContact O-N 2.49Å; N58-E60 VanDerWaalsContact OD1-CB 3.29Å; N58-E60 WeakPolarHBondContact OD1-CB 3.5Å; N58-E60 PolarHBondContact OD1-N 3.14Å; N58-S61 PolarHBondContact O-N 3.14Å; N58-S61 PolarHBondContact O-OG 2.72Å; N58-D104 VanDerWaalsContact CA-OD2 3.27Å; N58-D104 WeakPolarHBondContact CA-OD2 3.27Å; N58-D104 HydrophobicContact CB-CB 4.28Å; N58-D104 WeakPolarHBondContact OD1-CB 3.25Å; N58-D104 PolarHBondContact OD1-OD2 3.2Å; N58-D104 VanDerWaalsContact OD1-OD2 3.06Å | ||
| 59 | L | 89.9 | Confident | 89.3 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -65.3 | -21 | -179.8 | -74.3 | 174.2 | 0 | 0 | 0 | 113.1 | I21 V55 F57 S61 L62 I70 I71 D104 | I21-L59 HydrophobicContact CD1-CD2 4.1Å; V55-L59 HydrophobicContact CG2-CD2 3.54Å; V55-L59 HydrophobicContact CG2-CG 4.38Å; F57-L59 PolarHBondContact O-N 3.34Å; L59-S61 PolarHBondContact O-N 2.75Å; L59-L62 HydrophobicContact CD2-CD1 3.97Å; L59-L62 WeakPolarHBondContact O-CB 3.42Å; L59-L62 PolarHBondContact O-N 3.18Å; L59-I70 HydrophobicContact CD1-CG2 4.31Å; L59-I71 HydrophobicContact CB-CD1 4.19Å; L59-I71 HydrophobicContact CB-CG1 4.04Å; L59-I71 HydrophobicContact CD1-CD1 4.48Å; L59-I71 HydrophobicContact CD1-CG1 3.8Å; L59-D104 PolarHBondContact N-OD2 3.45Å |
| 60 | E | 87.5 | Confident | 89.2 | Confident | 135 Ų | 135 | 64.9 Ų | 64.9 | 63% | 0.631 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -54.4 | -33.2 | 173.2 | -173.4 | -179.1 | -178.5 | 0 | 0 | 112.2 | N58 L62 D63 | N58-E60 PolarHBondContact ND2-OE2 2.83Å; N58-E60 VanDerWaalsContact ND2-OE2 3.09Å; N58-E60 PolarHBondContact O-N 2.49Å; N58-E60 VanDerWaalsContact OD1-CB 3.29Å; N58-E60 WeakPolarHBondContact OD1-CB 3.5Å; N58-E60 PolarHBondContact OD1-N 3.14Å; E60-L62 PolarHBondContact O-N 2.96Å; E60-L62 VanDerWaalsContact O-N 3.16Å; E60-D63 WeakPolarHBondContact O-CB 3.12Å; E60-D63 PolarHBondContact O-N 3.41Å; E60-D63 VanDerWaalsContact O-N 3.16Å |
| 61 | S | 86.8 | Confident | 89.2 | Confident | 87 Ų | 87 | 65.7 Ų | 65.7 | 61% | 0.608 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -66.2 | -14.7 | 177 | 65.4 | 0 | 0 | 0 | 0 | 114.3 | N58 L59 | N58-S61 PolarHBondContact O-N 3.14Å; N58-S61 PolarHBondContact O-OG 2.72Å; L59-S61 PolarHBondContact O-N 2.75Å |
| 62 | L | 87.2 | Confident | 89.2 | Confident | 53 Ų | 53 | 67.6 Ų | 67.6 | 28% | 0.277 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -106.8 | 2.4 | 179.5 | -56.4 | 176.7 | 0 | 0 | 0 | 112.4 | V18 I21 F57 L59 E60 S64 I70 | V18-L62 HydrophobicContact CG1-CD1 3.49Å; V18-L62 VanDerWaalsContact CG1-CD1 3.49Å; V18-L62 HydrophobicContact CG1-CD2 3.55Å; V18-L62 HydrophobicContact CG1-CG 4.16Å; I21-L62 HydrophobicContact CD1-CD1 3.53Å; F57-L62 HydrophobicContact CE2-CD1 3.75Å; F57-L62 HydrophobicContact CE2-CD2 4.08Å; F57-L62 HydrophobicContact CE2-CG 3.92Å; F57-L62 HydrophobicContact CZ-CD1 4.3Å; L59-L62 HydrophobicContact CD2-CD1 3.97Å; L59-L62 WeakPolarHBondContact O-CB 3.42Å; L59-L62 PolarHBondContact O-N 3.18Å; E60-L62 PolarHBondContact O-N 2.96Å; E60-L62 VanDerWaalsContact O-N 3.16Å; L62-S64 PolarHBondContact O-N 3.34Å; L62-I70 HydrophobicContact CB-CD1 3.6Å; L62-I70 VanDerWaalsContact O-CD1 3.28Å; L62-I70 WeakPolarHBondContact O-CD1 3.19Å |
| 63 | D | 88.3 | Confident | 89.3 | Confident | 54 Ų | 54 | 68.2 Ų | 68.2 | 29% | 0.289 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 121.9 | -175.2 | -79.3 | -22.1 | 0 | 0 | 0 | 111.7 | E60 F65 P69 I70 | E60-D63 WeakPolarHBondContact O-CB 3.12Å; E60-D63 PolarHBondContact O-N 3.41Å; E60-D63 VanDerWaalsContact O-N 3.16Å; D63-F65 PolarHBondContact O-N 3.31Å; D63-P69 WeakPolarHBondContact OD1-CA 3.5Å; D63-P69 WeakPolarHBondContact OD2-CB 3.4Å; D63-I70 WeakPolarHBondContact OD1-CG1 3.42Å; D63-I70 PolarHBondContact OD1-N 3.42Å |
| 64 | S | 86.3 | Confident | 89.4 | Confident | 34 Ų | 34 | 68.2 Ų | 68.2 | 24% | 0.238 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -66 | 128.4 | 175.7 | -64.7 | 0 | 0 | 0 | 0 | 111.6 | E22 L62 G66 K67 | E22-S64 PolarHBondContact OE1-OG 3.25Å; E22-S64 PolarHBondContact OE2-OG 2.91Å; L62-S64 PolarHBondContact O-N 3.34Å; S64-G66 PolarHBondContact O-N 3.4Å; S64-K67 PolarHBondContact O-N 2.92Å; S64-K67 VanDerWaalsContact O-N 3.14Å |
| 65 | F | 84.6 | Confident | 89.7 | Confident | 219 Ų | 219 | 63.7 Ų | 63.7 | 96% | 0.961 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 131.8 | 179.7 | -162.2 | -90.8 | 0 | 0 | 0 | 112.3 | D63 K67 | D63-F65 PolarHBondContact O-N 3.31Å; F65-K67 VanDerWaalsContact C-N 3.28Å; F65-K67 PolarHBondContact O-N 3.14Å |
| 66 | G | 85.1 | Confident | 89.9 | Confident | 82 Ų | 82 | 66.5 Ų | 66.5 | 85% | 0.845 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.4 | 1.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | S64 | S64-G66 PolarHBondContact O-N 3.4Š|
| 67 | K | 86.6 | Confident | 90.3 | Very high | 112 Ų | 112 | 61.1 Ų | 61.1 | 49% | 0.487 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -104.6 | 161.8 | 173.1 | -57 | -170.8 | -169 | 173.7 | 0 | 110.6 | E22 S64 F65 | E22-K67 IonicContact OE1-NZ 3.84Å; E22-K67 PolarHBondContact OE1-NZ 3.29Å; S64-K67 PolarHBondContact O-N 2.92Å; S64-K67 VanDerWaalsContact O-N 3.14Å; F65-K67 VanDerWaalsContact C-N 3.28Å; F65-K67 PolarHBondContact O-N 3.14Å |
| 68 | K | 89.9 | Confident | 90.7 | Very high | 116 Ų | 116 | 57.4 Ų | 57.4 | 50% | 0.504 | 31% | 0.309 | S | S | . | . | trans | -58.3 | 151.3 | 166 | -69.6 | -171.7 | -173.5 | -175.5 | 0 | 110.1 | R73 D76 | K68-R73 HydrophobicContact CB-CG 3.81Å; K68-R73 WeakPolarHBondContact O-CD 3.48Å; K68-R73 PolarHBondContact O-NE 3.27Å; K68-D76 IonicContact NZ-OD2 2.86Å; K68-D76 PolarHBondContact NZ-OD2 3.34Å | ||
| 69 | P | 92.5 | Very high | 90.9 | Very high | 49 Ų | 49 | 58 Ų | 58 | 32% | 0.318 | 31% | 0.309 | S | S | . | . | trans | -50 | 144.3 | 173.4 | -27.8 | 35.5 | 0 | 0 | 0 | 112.6 | D63 I71 E72 R73 | D63-P69 WeakPolarHBondContact OD1-CA 3.5Å; D63-P69 WeakPolarHBondContact OD2-CB 3.4Å; P69-I71 PolarHBondContact O-N 3.23Å; P69-E72 HydrophobicContact CB-CG 4.35Å; P69-E72 HydrophobicContact CG-CG 4.48Å; P69-E72 PolarHBondContact O-N 3.37Å; P69-E72 VanDerWaalsContact O-N 3.09Å; P69-R73 PolarHBondContact O-N 3.48Å | ||
| 70 | I | 93 | Very high | 91 | Very high | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -53.2 | -44.3 | 179.7 | -72.8 | 167.6 | 0 | 0 | 0 | 110.2 | I21 L25 L59 L62 D63 E72 R73 V74 | I21-I70 HydrophobicContact CG2-CD1 4.24Å; I21-I70 HydrophobicContact CG2-CG2 4.13Å; L25-I70 HydrophobicContact CD2-CG2 4.41Å; L59-I70 HydrophobicContact CD1-CG2 4.31Å; L62-I70 HydrophobicContact CB-CD1 3.6Å; L62-I70 VanDerWaalsContact O-CD1 3.28Å; L62-I70 WeakPolarHBondContact O-CD1 3.19Å; D63-I70 WeakPolarHBondContact OD1-CG1 3.42Å; D63-I70 PolarHBondContact OD1-N 3.42Å; I70-E72 VanDerWaalsContact C-N 3.34Å; I70-E72 PolarHBondContact O-N 3.38Å; I70-R73 PolarHBondContact O-N 3.26Å; I70-V74 HydrophobicContact CG2-CG2 4Å; I70-V74 WeakPolarHBondContact O-CB 3.38Å; I70-V74 WeakPolarHBondContact O-CG2 3.38Å; I70-V74 PolarHBondContact O-N 2.79Å |
| 71 | I | 93.9 | Very high | 91.3 | Very high | 17 Ų | 17 | 55.6 Ų | 55.6 | 9% | 0.087 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56.4 | -47.8 | 179.3 | -68.8 | 168.9 | 0 | 0 | 0 | 110.9 | L59 P69 V74 I75 T99 A105 Q109 | L59-I71 HydrophobicContact CB-CD1 4.19Å; L59-I71 HydrophobicContact CB-CG1 4.04Å; L59-I71 HydrophobicContact CD1-CD1 4.48Å; L59-I71 HydrophobicContact CD1-CG1 3.8Å; P69-I71 PolarHBondContact O-N 3.23Å; I71-V74 PolarHBondContact O-N 3.47Å; I71-I75 HydrophobicContact CG2-CD1 3.8Å; I71-I75 WeakPolarHBondContact O-CB 3.33Å; I71-I75 VanDerWaalsContact O-CG1 3.24Å; I71-I75 WeakPolarHBondContact O-CG1 3.4Å; I71-I75 PolarHBondContact O-N 3.01Å; I71-T99 HydrophobicContact CG2-CG2 4.15Å; I71-A105 HydrophobicContact CD1-CB 4.06Å; I71-A105 HydrophobicContact CG2-CB 4.01Å; I71-Q109 HydrophobicContact CG2-CG 3.89Å |
| 72 | E | 93.7 | Very high | 91.5 | Very high | 75 Ų | 75 | 52.2 Ų | 52.2 | 35% | 0.35 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.4 | -42.9 | 179.5 | -66.8 | -174.3 | -171.7 | 0 | 0 | 111.7 | P69 I70 V74 I75 D76 | P69-E72 HydrophobicContact CB-CG 4.35Å; P69-E72 HydrophobicContact CG-CG 4.48Å; P69-E72 PolarHBondContact O-N 3.37Å; P69-E72 VanDerWaalsContact O-N 3.09Å; I70-E72 VanDerWaalsContact C-N 3.34Å; I70-E72 PolarHBondContact O-N 3.38Å; E72-V74 VanDerWaalsContact C-N 3.34Å; E72-V74 PolarHBondContact O-N 2.86Å; E72-I75 PolarHBondContact O-N 3.49Å; E72-D76 WeakPolarHBondContact O-CB 3.3Å; E72-D76 PolarHBondContact O-N 3.15Å |
| 73 | R | 94.8 | Very high | 91.5 | Very high | 14 Ų | 14 | 53.8 Ų | 53.8 | 5% | 0.053 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.7 | -43.2 | 176.7 | -69.5 | -171.5 | -78 | 156.1 | -2.2 | 112 | E22 L25 K68 P69 I70 D76 L77 | E22-R73 VanDerWaalsContact CD-NH1 3.32Å; E22-R73 IonicContact OE1-CZ 2.91Å; E22-R73 IonicContact OE1-NH1 3.82Å; E22-R73 PolarHBondContact OE1-NH1 3.31Å; E22-R73 IonicContact OE1-NH2 2.79Å; E22-R73 PolarHBondContact OE1-NH2 3.15Å; E22-R73 IonicContact OE2-CZ 3.59Å; E22-R73 IonicContact OE2-NH1 2.79Å; E22-R73 PolarHBondContact OE2-NH1 3.28Å; E22-R73 VanDerWaalsContact OE2-NH1 3.08Å; E22-R73 IonicContact OE2-NH2 3.44Å; E22-R73 PolarHBondContact OE2-NH2 3.29Å; L25-R73 HydrophobicContact CD2-CB 4.08Å; K68-R73 HydrophobicContact CB-CG 3.81Å; K68-R73 WeakPolarHBondContact O-CD 3.48Å; K68-R73 PolarHBondContact O-NE 3.27Å; P69-R73 PolarHBondContact O-N 3.48Å; I70-R73 PolarHBondContact O-N 3.26Å; R73-D76 PolarHBondContact O-N 2.99Å; R73-L77 WeakPolarHBondContact O-CG 3.39Å; R73-L77 PolarHBondContact O-N 3.22Å |
| 74 | V | 95.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.3 | -41.7 | 177.1 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | L25 L49 V53 I70 I71 E72 L77 A78 L95 T99 | L25-V74 HydrophobicContact CD1-CG2 3.99Å; L25-V74 HydrophobicContact CD2-CG2 4.45Å; L49-V74 HydrophobicContact CD2-CG2 4.27Å; V53-V74 HydrophobicContact CG1-CG1 4.29Å; V53-V74 HydrophobicContact CG1-CG2 4.28Å; I70-V74 HydrophobicContact CG2-CG2 4Å; I70-V74 WeakPolarHBondContact O-CB 3.38Å; I70-V74 WeakPolarHBondContact O-CG2 3.38Å; I70-V74 PolarHBondContact O-N 2.79Å; I71-V74 PolarHBondContact O-N 3.47Å; E72-V74 VanDerWaalsContact C-N 3.34Å; E72-V74 PolarHBondContact O-N 2.86Å; V74-L77 PolarHBondContact O-N 3.41Å; V74-A78 WeakPolarHBondContact O-CB 3.47Å; V74-A78 PolarHBondContact O-N 3.37Å; V74-L95 HydrophobicContact CG1-CD1 3.75Å; V74-L95 HydrophobicContact CG1-CD2 4.06Å; V74-L95 HydrophobicContact CG1-CG 3.91Å; V74-T99 HydrophobicContact CB-CG2 4.38Å; V74-T99 HydrophobicContact CG1-CG2 4.01Å; V74-T99 VanDerWaalsContact CG1-OG1 3.28Å; V74-T99 WeakPolarHBondContact CG1-OG1 3.48Å |
| 75 | I | 95.4 | Very high | 90.6 | Very high | 3 Ų | 3 | 57.1 Ų | 57.1 | 2% | 0.015 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.6 | -44.8 | 176.7 | -73.2 | 169.7 | 0 | 0 | 0 | 111 | I71 E72 L77 A78 K79 L96 T99 V100 Q109 I113 | I71-I75 HydrophobicContact CG2-CD1 3.8Å; I71-I75 WeakPolarHBondContact O-CB 3.33Å; I71-I75 VanDerWaalsContact O-CG1 3.24Å; I71-I75 WeakPolarHBondContact O-CG1 3.4Å; I71-I75 PolarHBondContact O-N 3.01Å; E72-I75 PolarHBondContact O-N 3.49Å; I75-L77 VanDerWaalsContact C-N 3.35Å; I75-L77 PolarHBondContact O-N 2.85Å; I75-A78 PolarHBondContact O-N 3.33Å; I75-K79 HydrophobicContact CG2-CD 4.13Å; I75-K79 HydrophobicContact CG2-CG 4.46Å; I75-K79 WeakPolarHBondContact O-CB 3.39Å; I75-K79 WeakPolarHBondContact O-CG 3.49Å; I75-K79 PolarHBondContact O-N 3Å; I75-L96 HydrophobicContact CG1-CD1 4.11Å; I75-L96 HydrophobicContact CG2-CD1 4.31Å; I75-T99 HydrophobicContact CG1-CG2 4.14Å; I75-V100 HydrophobicContact CD1-CG1 4.08Å; I75-V100 HydrophobicContact CG1-CG1 4.27Å; I75-Q109 HydrophobicContact CD1-CB 3.79Å; I75-Q109 HydrophobicContact CD1-CG 3.68Å; I75-I113 HydrophobicContact CG2-CD1 3.79Å |
| 76 | D | 94.6 | Very high | 89.9 | Confident | 71 Ų | 71 | 49.8 Ų | 49.8 | 38% | 0.38 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.6 | -46.5 | 177.7 | -77 | -12.6 | 0 | 0 | 0 | 110.6 | K68 E72 R73 K79 L80 | K68-D76 IonicContact NZ-OD2 2.86Å; K68-D76 PolarHBondContact NZ-OD2 3.34Å; E72-D76 WeakPolarHBondContact O-CB 3.3Å; E72-D76 PolarHBondContact O-N 3.15Å; R73-D76 PolarHBondContact O-N 2.99Å; D76-K79 PolarHBondContact O-N 2.89Å; D76-L80 WeakPolarHBondContact O-CB 3.49Å; D76-L80 PolarHBondContact O-N 3.34Å |
| 77 | L | 94.2 | Very high | 89.8 | Confident | 17 Ų | 17 | 52.6 Ų | 52.6 | 9% | 0.089 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64 | -44.1 | 174.7 | -75.7 | 172.8 | 0 | 0 | 0 | 112.6 | L25 L28 M29 R73 V74 I75 K79 L80 Y81 | L25-L77 HydrophobicContact CD1-CD1 3.32Å; L28-L77 HydrophobicContact CD2-CD1 4.08Å; L28-L77 HydrophobicContact CG-CD1 4.3Å; M29-L77 HydrophobicContact CG-CD1 3.71Å; M29-L77 HydrophobicContact CG-CD2 4.06Å; M29-L77 HydrophobicContact CG-CG 4.25Å; R73-L77 WeakPolarHBondContact O-CG 3.39Å; R73-L77 PolarHBondContact O-N 3.22Å; V74-L77 PolarHBondContact O-N 3.41Å; I75-L77 VanDerWaalsContact C-N 3.35Å; I75-L77 PolarHBondContact O-N 2.85Å; L77-K79 VanDerWaalsContact C-N 3.32Å; L77-K79 PolarHBondContact O-N 3.24Å; L77-L80 WeakPolarHBondContact O-CB 3.41Å; L77-L80 PolarHBondContact O-N 3.48Å; L77-Y81 HydrophobicContact CD2-CE2 4.25Å; L77-Y81 VanDerWaalsContact O-CD2 3.22Å; L77-Y81 WeakPolarHBondContact O-CD2 3.36Å; L77-Y81 PolarHBondContact O-N 3.22Å |
| 78 | A | 94.9 | Very high | 90 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.008 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.2 | -43.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | V74 I75 L80 Y81 L82 L95 L96 | V74-A78 WeakPolarHBondContact O-CB 3.47Å; V74-A78 PolarHBondContact O-N 3.37Å; I75-A78 PolarHBondContact O-N 3.33Å; A78-L80 VanDerWaalsContact C-N 3.33Å; A78-L80 PolarHBondContact O-N 3.48Å; A78-Y81 PolarHBondContact O-N 3.26Å; A78-L82 WeakPolarHBondContact O-CB 3.25Å; A78-L82 WeakPolarHBondContact O-CG 3.28Å; A78-L82 PolarHBondContact O-N 3.32Å; A78-L95 HydrophobicContact CB-CD2 4.43Å; A78-L96 HydrophobicContact CB-CB 3.86Å; A78-L96 HydrophobicContact CB-CD1 4.23Å |
| 79 | K | 93.7 | Very high | 90.1 | Very high | 77 Ų | 77 | 42.2 Ų | 42.2 | 34% | 0.335 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59 | -42.5 | 173.2 | -74.9 | 175.7 | 179.4 | 173.1 | 0 | 112.2 | I75 D76 L77 L82 | I75-K79 HydrophobicContact CG2-CD 4.13Å; I75-K79 HydrophobicContact CG2-CG 4.46Å; I75-K79 WeakPolarHBondContact O-CB 3.39Å; I75-K79 WeakPolarHBondContact O-CG 3.49Å; I75-K79 PolarHBondContact O-N 3Å; D76-K79 PolarHBondContact O-N 2.89Å; L77-K79 VanDerWaalsContact C-N 3.32Å; L77-K79 PolarHBondContact O-N 3.24Å; K79-L82 PolarHBondContact O-N 3.15Å |
| 80 | L | 92.2 | Very high | 90 | Very high | 81 Ų | 81 | 41.8 Ų | 41.8 | 42% | 0.424 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.4 | -48.9 | 177.2 | -177.4 | 70.5 | 0 | 0 | 0 | 111.7 | I33 D76 L77 A78 L82 L83 | I33-L80 HydrophobicContact CD1-CD1 3.99Å; I33-L80 HydrophobicContact CD1-CD2 3.9Å; I33-L80 HydrophobicContact CD1-CG 3.58Å; D76-L80 WeakPolarHBondContact O-CB 3.49Å; D76-L80 PolarHBondContact O-N 3.34Å; L77-L80 WeakPolarHBondContact O-CB 3.41Å; L77-L80 PolarHBondContact O-N 3.48Å; A78-L80 VanDerWaalsContact C-N 3.33Å; A78-L80 PolarHBondContact O-N 3.48Å; L80-L82 VanDerWaalsContact C-N 3.33Å; L80-L82 PolarHBondContact O-N 2.99Å; L80-L83 PolarHBondContact O-N 3.23Å |
| 81 | Y | 93.2 | Very high | 90 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -75.4 | -17.8 | 180 | -74.9 | -69.9 | 0 | 0 | 0 | 114.1 | L28 I33 R42 I46 L77 A78 L83 Q84 | L28-Y81 HydrophobicContact CD1-CE2 3.74Å; L28-Y81 WeakPolarHBondContact CD1-OH 3.5Å; L28-Y81 HydrophobicContact CD2-CE2 4.29Å; L28-Y81 HydrophobicContact CG-CE2 4.03Å; I33-Y81 HydrophobicContact CD1-CD1 4.4Å; I33-Y81 HydrophobicContact CD1-CE1 4.3Å; I33-Y81 HydrophobicContact CG1-CE1 4.26Å; R42-Y81 HydrophobicContact CB-CE1 4.24Å; R42-Y81 WeakPolarHBondContact CD-OH 3.32Å; R42-Y81 HydrophobicContact CG-CE1 4.47Å; I46-Y81 HydrophobicContact CD1-CD1 3.81Å; I46-Y81 HydrophobicContact CD1-CD2 3.71Å; I46-Y81 HydrophobicContact CD1-CE1 4.16Å; I46-Y81 HydrophobicContact CD1-CE2 4.08Å; I46-Y81 HydrophobicContact CD1-CG 3.59Å; I46-Y81 HydrophobicContact CG1-CD2 4.25Å; I46-Y81 HydrophobicContact CG1-CE2 4.44Å; L77-Y81 HydrophobicContact CD2-CE2 4.25Å; L77-Y81 VanDerWaalsContact O-CD2 3.22Å; L77-Y81 WeakPolarHBondContact O-CD2 3.36Å; L77-Y81 PolarHBondContact O-N 3.22Å; A78-Y81 PolarHBondContact O-N 3.26Å; Y81-L83 PolarHBondContact O-N 2.92Å; Y81-Q84 HydrophobicContact CD1-CG 4.29Å; Y81-Q84 PolarHBondContact O-N 2.81Å |
| 82 | L | 91.5 | Very high | 90.1 | Very high | 16 Ų | 16 | 41 Ų | 41 | 8% | 0.084 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.6 | -23.1 | 172.3 | -80.4 | 173.7 | 0 | 0 | 0 | 113.2 | A78 K79 L80 Q84 Q89 A92 A93 L96 G137 S141 | A78-L82 WeakPolarHBondContact O-CB 3.25Å; A78-L82 WeakPolarHBondContact O-CG 3.28Å; A78-L82 PolarHBondContact O-N 3.32Å; K79-L82 PolarHBondContact O-N 3.15Å; L80-L82 VanDerWaalsContact C-N 3.33Å; L80-L82 PolarHBondContact O-N 2.99Å; L82-Q84 VanDerWaalsContact C-N 3.31Å; L82-Q89 HydrophobicContact CD2-CG 4.31Å; L82-Q89 PolarHBondContact O-NE2 3.03Å; L82-A92 HydrophobicContact CD2-CB 4.29Å; L82-A92 HydrophobicContact CG-CB 4.22Å; L82-A93 HydrophobicContact CD2-CB 3.69Å; L82-L96 HydrophobicContact CD1-CD2 3.62Å; L82-G137 WeakPolarHBondContact CD2-O 3.35Å; L82-S141 VanDerWaalsContact CD1-OG 3.3Å; L82-S141 WeakPolarHBondContact CD1-OG 3.39Å; L82-S141 VanDerWaalsContact CD2-OG 3.31Å; L82-S141 WeakPolarHBondContact CD2-OG 3.44Å |
| 83 | L | 87.6 | Confident | 90.1 | Very high | 87 Ų | 87 | 37.4 Ų | 37.4 | 46% | 0.455 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | -7.3 | 177.4 | -60.6 | 175.2 | 0 | 0 | 0 | 113.3 | L80 Y81 Q134 | L80-L83 PolarHBondContact O-N 3.23Å; Y81-L83 PolarHBondContact O-N 2.92Å; L83-Q134 HydrophobicContact CD2-CB 3.87Å; L83-Q134 HydrophobicContact CD2-CG 3.71Å |
| 84 | Q | 83.7 | Confident | 90.1 | Very high | 50 Ų | 50 | 37.4 Ų | 37.4 | 23% | 0.234 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -84.1 | 153.7 | -178 | -61.5 | -57.3 | -40.9 | 0 | 0 | 112.7 | I33 Y81 L82 E86 Q89 | I33-Q84 HydrophobicContact CD1-CG 3.8Å; I33-Q84 HydrophobicContact CG1-CG 3.99Å; Y81-Q84 HydrophobicContact CD1-CG 4.29Å; Y81-Q84 PolarHBondContact O-N 2.81Å; L82-Q84 VanDerWaalsContact C-N 3.31Å; Q84-E86 PolarHBondContact O-N 3.32Å; Q84-Q89 WeakPolarHBondContact O-CB 3.39Å; Q84-Q89 PolarHBondContact O-NE2 2.72Å |
| 85 | D | 70.8 | Confident | 90.1 | Very high | 107 Ų | 107 | 37.5 Ų | 37.5 | 57% | 0.572 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -101.7 | 43.2 | -176.4 | -163.9 | 17.8 | 0 | 0 | 0 | 113 | K133 | D85-K133 HydrophobicContact CB-CD 3.78Å; D85-K133 VanDerWaalsContact CB-CE 3.44Å; D85-K133 HydrophobicContact CB-CG 4.23Å; D85-K133 VanDerWaalsContact CB-NZ 3.27Å; D85-K133 WeakPolarHBondContact OD2-CE 3.35Å; D85-K133 IonicContact OD2-NZ 3.08Å; D85-K133 PolarHBondContact OD2-NZ 3.18Å |
| 86 | E | 70 | Confident | 90.2 | Very high | 66 Ų | 66 | 37.6 Ų | 37.6 | 31% | 0.308 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -136.2 | 177.6 | -171.1 | -67.7 | 179.8 | 166.8 | 0 | 0 | 111.5 | W39 R42 Q84 T88 Q89 | W39-E86 WeakPolarHBondContact CB-OE2 3.28Å; R42-E86 IonicContact NH2-OE2 3.34Å; Q84-E86 PolarHBondContact O-N 3.32Å; E86-T88 WeakPolarHBondContact CB-OG1 3.47Å; E86-T88 PolarHBondContact O-N 3.24Å; E86-T88 VanDerWaalsContact O-N 3.14Å; E86-Q89 WeakPolarHBondContact O-CB 3.36Å; E86-Q89 PolarHBondContact O-N 2.99Å; E86-Q89 VanDerWaalsContact O-N 3.08Å |
| 87 | R | 84.6 | Confident | 90.2 | Very high | 141 Ų | 141 | 34.2 Ų | 34.2 | 53% | 0.532 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -56 | -25.9 | 169.8 | -69.1 | -69.2 | -174.6 | 166.6 | 0.8 | 112.6 | W39 Y43 Q89 E90 A91 | W39-R87 HydrophobicContact CE3-CB 4.48Å; W39-R87 HydrophobicContact CH2-CB 4.47Å; W39-R87 HydrophobicContact CH2-CG 4.24Å; W39-R87 HydrophobicContact CZ3-CB 3.75Å; W39-R87 HydrophobicContact CZ3-CG 4.01Å; Y43-R87 HydrophobicContact CD2-CB 3.81Å; Y43-R87 WeakPolarHBondContact CD2-O 3.07Å; Y43-R87 HydrophobicContact CE2-CB 3.72Å; Y43-R87 WeakPolarHBondContact CE2-O 3.46Å; Y43-R87 HydrophobicContact CG-CB 4.25Å; R87-Q89 VanDerWaalsContact C-N 3.25Å; R87-Q89 PolarHBondContact O-N 2.87Å; R87-E90 IonicContact NH1-OE2 2.92Å; R87-E90 PolarHBondContact O-N 3.34Å; R87-A91 PolarHBondContact O-N 3.04Å |
| 88 | T | 90.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.5 | -36.4 | 174.6 | 54.5 | 0 | 0 | 0 | 0 | 112.2 | R42 I46 E86 E90 A91 A92 | R42-T88 HydrophobicContact CB-CG2 4.22Å; I46-T88 HydrophobicContact CD1-CG2 4.26Å; E86-T88 WeakPolarHBondContact CB-OG1 3.47Å; E86-T88 PolarHBondContact O-N 3.24Å; E86-T88 VanDerWaalsContact O-N 3.14Å; T88-E90 VanDerWaalsContact C-N 3.34Å; T88-E90 PolarHBondContact O-N 3.34Å; T88-A91 PolarHBondContact O-N 3.45Å; T88-A92 WeakPolarHBondContact O-CB 3.33Å; T88-A92 PolarHBondContact O-N 3.09Å |
| 89 | Q | 91.4 | Very high | 90.3 | Very high | 9 Ų | 9 | 34.4 Ų | 34.4 | 4% | 0.042 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.3 | -41.1 | 176.6 | -172.1 | -172.6 | 77.3 | 0 | 0 | 112.5 | L82 Q84 E86 R87 A92 A93 K133 | L82-Q89 HydrophobicContact CD2-CG 4.31Å; L82-Q89 PolarHBondContact O-NE2 3.03Å; Q84-Q89 WeakPolarHBondContact O-CB 3.39Å; Q84-Q89 PolarHBondContact O-NE2 2.72Å; E86-Q89 WeakPolarHBondContact O-CB 3.36Å; E86-Q89 PolarHBondContact O-N 2.99Å; E86-Q89 VanDerWaalsContact O-N 3.08Å; R87-Q89 VanDerWaalsContact C-N 3.25Å; R87-Q89 PolarHBondContact O-N 2.87Å; Q89-A92 PolarHBondContact O-N 3.41Å; Q89-A93 WeakPolarHBondContact O-CB 3.39Å; Q89-A93 PolarHBondContact O-N 2.93Å; Q89-K133 PolarHBondContact NE2-O 2.95Å |
| 90 | E | 90.9 | Very high | 90.3 | Very high | 41 Ų | 41 | 30.8 Ų | 30.8 | 19% | 0.192 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.2 | -39.9 | 177.6 | 177.9 | 169.4 | -148.9 | 0 | 0 | 111.8 | Y7 R87 T88 F94 R140 | Y7-E90 HydrophobicContact CE1-CG 4.08Å; Y7-E90 WeakPolarHBondContact CE1-OE1 3.27Å; R87-E90 IonicContact NH1-OE2 2.92Å; R87-E90 PolarHBondContact O-N 3.34Å; T88-E90 VanDerWaalsContact C-N 3.34Å; T88-E90 PolarHBondContact O-N 3.34Å; E90-F94 PolarHBondContact O-N 3.28Å; E90-R140 IonicContact OE1-NH1 2.76Å |
| 91 | A | 93.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67.7 | -42.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y43 I46 L47 R87 T88 F94 L95 | Y43-A91 HydrophobicContact CD2-CB 3.83Å; Y43-A91 HydrophobicContact CE2-CB 3.79Å; I46-A91 HydrophobicContact CB-CB 3.98Å; I46-A91 VanDerWaalsContact CG2-C 3.42Å; I46-A91 HydrophobicContact CG2-CB 3.52Å; L47-A91 HydrophobicContact CD2-CB 3.6Å; L47-A91 HydrophobicContact CG-CB 3.81Å; R87-A91 PolarHBondContact O-N 3.04Å; T88-A91 PolarHBondContact O-N 3.45Å; A91-F94 WeakPolarHBondContact O-CB 3.29Å; A91-F94 PolarHBondContact O-N 2.97Å; A91-F94 VanDerWaalsContact O-N 3.09Å; A91-L95 WeakPolarHBondContact O-CB 3.36Å; A91-L95 PolarHBondContact O-N 3.34Å |
| 92 | A | 95.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.6 | -42.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I46 L82 T88 Q89 F94 L95 L96 | I46-A92 HydrophobicContact CG2-CB 4.42Å; L82-A92 HydrophobicContact CD2-CB 4.29Å; L82-A92 HydrophobicContact CG-CB 4.22Å; T88-A92 WeakPolarHBondContact O-CB 3.33Å; T88-A92 PolarHBondContact O-N 3.09Å; Q89-A92 PolarHBondContact O-N 3.41Å; A92-F94 PolarHBondContact O-N 3.41Å; A92-L95 PolarHBondContact O-N 3.3Å; A92-L96 WeakPolarHBondContact O-CB 3.31Å; A92-L96 PolarHBondContact O-N 2.91Å |
| 93 | A | 95 | Very high | 90.4 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.2 | -28.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L82 Q89 A97 R140 N144 | L82-A93 HydrophobicContact CD2-CB 3.69Å; Q89-A93 WeakPolarHBondContact O-CB 3.39Å; Q89-A93 PolarHBondContact O-N 2.93Å; A93-A97 WeakPolarHBondContact O-CB 3.07Å; A93-A97 PolarHBondContact O-N 2.98Å; A93-R140 HydrophobicContact CB-CB 3.5Å; A93-N144 PolarHBondContact O-ND2 2.75Å; A93-N144 VanDerWaalsContact O-ND2 3.16Å |
| 94 | F | 93.8 | Very high | 90.5 | Very high | 15 Ų | 15 | 31.6 Ų | 31.6 | 7% | 0.066 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -78.6 | -44.5 | 176.7 | -174.3 | -107 | 0 | 0 | 0 | 111.2 | Y7 I11 S50 E90 A91 A92 A97 H98 N144 | Y7-F94 HydrophobicContact CE2-CD1 4.29Å; Y7-F94 HydrophobicContact CE2-CD2 4.44Å; Y7-F94 HydrophobicContact CE2-CE1 4.43Å; Y7-F94 HydrophobicContact CE2-CG 4.29Å; I11-F94 HydrophobicContact CD1-CD1 4Å; I11-F94 HydrophobicContact CD1-CE1 3.55Å; I11-F94 HydrophobicContact CD1-CZ 4.4Å; S50-F94 WeakPolarHBondContact OG-CD1 3.41Å; S50-F94 WeakPolarHBondContact OG-CE1 3.43Å; E90-F94 PolarHBondContact O-N 3.28Å; A91-F94 WeakPolarHBondContact O-CB 3.29Å; A91-F94 PolarHBondContact O-N 2.97Å; A91-F94 VanDerWaalsContact O-N 3.09Å; A92-F94 PolarHBondContact O-N 3.41Å; F94-A97 PolarHBondContact O-N 3.15Å; F94-H98 AromaticContact CD1-CD2 3.93Å; F94-H98 AromaticContact CE1-CD2 3.49Å; F94-H98 VanDerWaalsContact CE1-CD2 3.49Å; F94-H98 WeakPolarHBondContact CE1-CD2 3.3Å; F94-H98 AromaticContact CE1-NE2 3.6Å; F94-H98 AromaticContact CE2-CD2 3.7Å; F94-H98 AromaticContact CE2-NE2 3.4Å; F94-H98 WeakPolarHBondContact CE2-NE2 3.49Å; F94-H98 AromaticContact CZ-CD2 3.38Å; F94-H98 WeakPolarHBondContact CZ-CD2 3.39Å; F94-H98 AromaticContact CZ-NE2 3.01Å; F94-H98 WeakPolarHBondContact CZ-NE2 3.31Å; F94-H98 PolarHBondContact O-CD2 3Å; F94-H98 PolarHBondContact O-N 3.04Å; F94-N144 PolarHBondContact N-ND2 3.45Å |
| 95 | L | 96 | Very high | 90.9 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57.1 | -53.2 | 172.3 | 172.9 | 61.8 | 0 | 0 | 0 | 111.4 | I46 L49 V53 V74 A78 A91 A92 A97 H98 T99 | I46-L95 HydrophobicContact CG2-CB 4.13Å; I46-L95 HydrophobicContact CG2-CD2 3.93Å; L49-L95 HydrophobicContact CB-CD1 4.29Å; L49-L95 HydrophobicContact CD2-CD1 4.41Å; L49-L95 HydrophobicContact CD2-CD2 3.94Å; L49-L95 HydrophobicContact CG-CD1 3.98Å; L49-L95 HydrophobicContact CG-CD2 4.33Å; V53-L95 HydrophobicContact CG1-CD1 4.17Å; V53-L95 HydrophobicContact CG2-CD1 3.96Å; V74-L95 HydrophobicContact CG1-CD1 3.75Å; V74-L95 HydrophobicContact CG1-CD2 4.06Å; V74-L95 HydrophobicContact CG1-CG 3.91Å; A78-L95 HydrophobicContact CB-CD2 4.43Å; A91-L95 WeakPolarHBondContact O-CB 3.36Å; A91-L95 PolarHBondContact O-N 3.34Å; A92-L95 PolarHBondContact O-N 3.3Å; L95-A97 VanDerWaalsContact C-N 3.28Å; L95-A97 PolarHBondContact O-N 2.88Å; L95-H98 PolarHBondContact O-N 3.01Å; L95-H98 VanDerWaalsContact O-N 3.12Å; L95-T99 PolarHBondContact O-N 3.37Å; L95-T99 PolarHBondContact O-OG1 3.23Å; L95-T99 VanDerWaalsContact O-OG1 3.05Å |
| 96 | L | 97 | Very high | 91.8 | Very high | 5 Ų | 5 | 25 Ų | 25 | 3% | 0.026 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -54.6 | -46.9 | 179.9 | -178.8 | 62.1 | 0 | 0 | 0 | 111.2 | I75 A78 L82 A92 H98 T99 V100 I113 | I75-L96 HydrophobicContact CG1-CD1 4.11Å; I75-L96 HydrophobicContact CG2-CD1 4.31Å; A78-L96 HydrophobicContact CB-CB 3.86Å; A78-L96 HydrophobicContact CB-CD1 4.23Å; L82-L96 HydrophobicContact CD1-CD2 3.62Å; A92-L96 WeakPolarHBondContact O-CB 3.31Å; A92-L96 PolarHBondContact O-N 2.91Å; L96-H98 PolarHBondContact O-N 3.32Å; L96-T99 PolarHBondContact O-N 3.46Å; L96-V100 HydrophobicContact CD1-CG1 3.74Å; L96-V100 HydrophobicContact CG-CG1 4.33Å; L96-V100 WeakPolarHBondContact O-CG1 3.45Å; L96-V100 WeakPolarHBondContact O-CG2 3.3Å; L96-V100 PolarHBondContact O-N 3.38Å; L96-I113 HydrophobicContact CD1-CD1 4.23Å; L96-I113 HydrophobicContact CD2-CG2 4.33Å |
| 97 | A | 95.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.4 | -40.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A93 F94 L95 T101 N144 I145 L148 | A93-A97 WeakPolarHBondContact O-CB 3.07Å; A93-A97 PolarHBondContact O-N 2.98Å; F94-A97 PolarHBondContact O-N 3.15Å; L95-A97 VanDerWaalsContact C-N 3.28Å; L95-A97 PolarHBondContact O-N 2.88Å; A97-T101 WeakPolarHBondContact O-CB 3.22Å; A97-T101 VanDerWaalsContact O-CG2 3.22Å; A97-T101 WeakPolarHBondContact O-CG2 3.23Å; A97-T101 PolarHBondContact O-N 2.88Å; A97-T101 PolarHBondContact O-OG1 2.95Å; A97-N144 HydrophobicContact CB-CB 3.39Å; A97-I145 HydrophobicContact CB-CG1 3.78Å; A97-L148 HydrophobicContact CB-CD1 3.91Å |
| 98 | H | 94.6 | Very high | 93.1 | Very high | 23 Ų | 23 | 24.6 Ų | 24.6 | 11% | 0.106 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.3 | -46.4 | 174.1 | -90.7 | -69.2 | 0 | 0 | 0 | 111.8 | V53 M54 F94 L95 L96 T101 R102 L148 | V53-H98 HydrophobicContact CG2-CB 4.15Å; M54-H98 PolarHBondContact SD-CE1 3.29Å; M54-H98 PolarHBondContact SD-ND1 3.07Å; F94-H98 AromaticContact CD1-CD2 3.93Å; F94-H98 AromaticContact CE1-CD2 3.49Å; F94-H98 VanDerWaalsContact CE1-CD2 3.49Å; F94-H98 WeakPolarHBondContact CE1-CD2 3.3Å; F94-H98 AromaticContact CE1-NE2 3.6Å; F94-H98 AromaticContact CE2-CD2 3.7Å; F94-H98 AromaticContact CE2-NE2 3.4Å; F94-H98 WeakPolarHBondContact CE2-NE2 3.49Å; F94-H98 AromaticContact CZ-CD2 3.38Å; F94-H98 WeakPolarHBondContact CZ-CD2 3.39Å; F94-H98 AromaticContact CZ-NE2 3.01Å; F94-H98 WeakPolarHBondContact CZ-NE2 3.31Å; F94-H98 PolarHBondContact O-CD2 3Å; F94-H98 PolarHBondContact O-N 3.04Å; L95-H98 PolarHBondContact O-N 3.01Å; L95-H98 VanDerWaalsContact O-N 3.12Å; L96-H98 PolarHBondContact O-N 3.32Å; H98-T101 PolarHBondContact O-OG1 3.02Å; H98-R102 WeakPolarHBondContact O-CG 3.46Å; H98-L148 WeakPolarHBondContact NE2-CD1 3.29Å |
| 99 | T | 95.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.8 | -49.1 | -179.7 | -54 | 0 | 0 | 0 | 0 | 112.2 | I71 V74 I75 L95 L96 T101 R102 A105 | I71-T99 HydrophobicContact CG2-CG2 4.15Å; V74-T99 HydrophobicContact CB-CG2 4.38Å; V74-T99 HydrophobicContact CG1-CG2 4.01Å; V74-T99 VanDerWaalsContact CG1-OG1 3.28Å; V74-T99 WeakPolarHBondContact CG1-OG1 3.48Å; I75-T99 HydrophobicContact CG1-CG2 4.14Å; L95-T99 PolarHBondContact O-N 3.37Å; L95-T99 PolarHBondContact O-OG1 3.23Å; L95-T99 VanDerWaalsContact O-OG1 3.05Å; L96-T99 PolarHBondContact O-N 3.46Å; T99-T101 VanDerWaalsContact C-N 3.3Å; T99-T101 PolarHBondContact O-N 3.44Å; T99-R102 WeakPolarHBondContact O-CG 3.41Å; T99-R102 PolarHBondContact O-N 3.38Å; T99-A105 WeakPolarHBondContact O-CB 3.49Å |
| 100 | V | 94.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -77.5 | -14 | -174.1 | -59 | 0 | 0 | 0 | 0 | 113.9 | I75 L96 L106 L110 I113 I145 | I75-V100 HydrophobicContact CD1-CG1 4.08Å; I75-V100 HydrophobicContact CG1-CG1 4.27Å; L96-V100 HydrophobicContact CD1-CG1 3.74Å; L96-V100 HydrophobicContact CG-CG1 4.33Å; L96-V100 WeakPolarHBondContact O-CG1 3.45Å; L96-V100 WeakPolarHBondContact O-CG2 3.3Å; L96-V100 PolarHBondContact O-N 3.38Å; V100-L106 WeakPolarHBondContact O-CA 3.47Å; V100-L110 HydrophobicContact CG2-CD1 4.48Å; V100-I113 HydrophobicContact CG1-CG1 4Å; V100-I145 HydrophobicContact CG2-CD1 3.91Å; V100-I145 HydrophobicContact CG2-CG1 3.78Å |
| 101 | T | 93.7 | Very high | 93.5 | Very high | 27 Ų | 27 | 26.2 Ų | 26.2 | 17% | 0.166 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 2.5 | 177.4 | 58 | 0 | 0 | 0 | 0 | 113.1 | A97 H98 T99 I145 L148 | A97-T101 WeakPolarHBondContact O-CB 3.22Å; A97-T101 VanDerWaalsContact O-CG2 3.22Å; A97-T101 WeakPolarHBondContact O-CG2 3.23Å; A97-T101 PolarHBondContact O-N 2.88Å; A97-T101 PolarHBondContact O-OG1 2.95Å; H98-T101 PolarHBondContact O-OG1 3.02Å; T99-T101 VanDerWaalsContact C-N 3.3Å; T99-T101 PolarHBondContact O-N 3.44Å; T101-I145 HydrophobicContact CG2-CG2 4.33Å; T101-L148 HydrophobicContact CG2-CB 4.38Å |
| 102 | R | 93.6 | Very high | 93.5 | Very high | 21 Ų | 21 | 29.4 Ų | 29.4 | 8% | 0.079 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -68.4 | 145.1 | 172.6 | -62.1 | 172 | 52.2 | 75.7 | 5.9 | 111 | V53 V55 F57 H98 T99 D104 A105 L106 | V53-R102 WeakPolarHBondContact O-CD 3.25Å; V53-R102 PolarHBondContact O-NH1 3.42Å; V55-R102 PolarHBondContact O-NH1 2.68Å; F57-R102 PolarHBondContact O-NH2 3.49Å; H98-R102 WeakPolarHBondContact O-CG 3.46Å; T99-R102 WeakPolarHBondContact O-CG 3.41Å; T99-R102 PolarHBondContact O-N 3.38Å; R102-D104 VanDerWaalsContact C-N 3.26Å; R102-D104 WeakPolarHBondContact CB-OD1 3.42Å; R102-D104 IonicContact CZ-OD1 3.52Å; R102-D104 IonicContact CZ-OD2 2.62Å; R102-D104 IonicContact NE-OD1 3.39Å; R102-D104 PolarHBondContact NE-OD1 3.05Å; R102-D104 IonicContact NE-OD2 2.78Å; R102-D104 PolarHBondContact NE-OD2 3.01Å; R102-D104 IonicContact NH2-OD1 2.76Å; R102-D104 PolarHBondContact NH2-OD1 3.19Å; R102-D104 IonicContact NH2-OD2 2.87Å; R102-D104 PolarHBondContact NH2-OD2 3.18Å; R102-D104 PolarHBondContact O-N 3.38Å; R102-A105 HydrophobicContact CB-CB 4.23Å; R102-A105 PolarHBondContact O-N 2.93Å; R102-A105 VanDerWaalsContact O-N 3.07Å; R102-L106 VanDerWaalsContact O-CB 3.24Å; R102-L106 WeakPolarHBondContact O-CB 3.22Å; R102-L106 PolarHBondContact O-N 2.95Å |
| 103 | P | 90.1 | Very high | 93.5 | Very high | 116 Ų | 116 | 29.9 Ų | 29.9 | 75% | 0.753 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -54.5 | -36.1 | 178.9 | -27 | 35.1 | 0 | 0 | 0 | 115 | ||
| 104 | D | 91.6 | Very high | 93.5 | Very high | 42 Ų | 42 | 30 Ų | 30 | 23% | 0.225 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -79.1 | -21.3 | 179.5 | 57.9 | -16.3 | 0 | 0 | 0 | 114 | N58 L59 R102 | N58-D104 VanDerWaalsContact CA-OD2 3.27Å; N58-D104 WeakPolarHBondContact CA-OD2 3.27Å; N58-D104 HydrophobicContact CB-CB 4.28Å; N58-D104 WeakPolarHBondContact OD1-CB 3.25Å; N58-D104 PolarHBondContact OD1-OD2 3.2Å; N58-D104 VanDerWaalsContact OD1-OD2 3.06Å; L59-D104 PolarHBondContact N-OD2 3.45Å; R102-D104 VanDerWaalsContact C-N 3.26Å; R102-D104 WeakPolarHBondContact CB-OD1 3.42Å; R102-D104 IonicContact CZ-OD1 3.52Å; R102-D104 IonicContact CZ-OD2 2.62Å; R102-D104 IonicContact NE-OD1 3.39Å; R102-D104 PolarHBondContact NE-OD1 3.05Å; R102-D104 IonicContact NE-OD2 2.78Å; R102-D104 PolarHBondContact NE-OD2 3.01Å; R102-D104 IonicContact NH2-OD1 2.76Å; R102-D104 PolarHBondContact NH2-OD1 3.19Å; R102-D104 IonicContact NH2-OD2 2.87Å; R102-D104 PolarHBondContact NH2-OD2 3.18Å; R102-D104 PolarHBondContact O-N 3.38Å |
| 105 | A | 91.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -101.3 | -24.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | I71 T99 R102 H107 A108 Q109 | I71-A105 HydrophobicContact CD1-CB 4.06Å; I71-A105 HydrophobicContact CG2-CB 4.01Å; T99-A105 WeakPolarHBondContact O-CB 3.49Å; R102-A105 HydrophobicContact CB-CB 4.23Å; R102-A105 PolarHBondContact O-N 2.93Å; R102-A105 VanDerWaalsContact O-N 3.07Å; A105-H107 PolarHBondContact O-N 3.35Å; A105-A108 PolarHBondContact O-N 3.31Å; A105-Q109 HydrophobicContact CB-CG 4.47Å; A105-Q109 WeakPolarHBondContact O-CB 3.35Å; A105-Q109 PolarHBondContact O-N 3.43Å |
| 106 | L | 90.2 | Very high | 93.4 | Very high | 16 Ų | 16 | 35 Ų | 35 | 8% | 0.084 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -55 | -60.2 | -165.8 | -173.1 | 77.1 | 0 | 0 | 0 | 112.5 | V100 R102 A108 L110 E153 | V100-L106 WeakPolarHBondContact O-CA 3.47Å; R102-L106 VanDerWaalsContact O-CB 3.24Å; R102-L106 WeakPolarHBondContact O-CB 3.22Å; R102-L106 PolarHBondContact O-N 2.95Å; L106-A108 VanDerWaalsContact C-N 3.34Å; L106-A108 PolarHBondContact O-N 3.35Å; L106-L110 HydrophobicContact CD1-CD2 3.8Å; L106-L110 HydrophobicContact CG-CD2 4.38Å; L106-L110 WeakPolarHBondContact O-CB 3.45Å; L106-L110 PolarHBondContact O-N 3.35Å; L106-E153 HydrophobicContact CD2-CB 3.95Å; L106-E153 HydrophobicContact CD2-CG 3.6Å |
| 107 | H | 89.9 | Confident | 93.2 | Very high | 130 Ų | 130 | 35.3 Ų | 35.3 | 60% | 0.602 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -69.7 | -31.6 | -174.8 | -61.3 | -61.9 | 0 | 0 | 0 | 113 | A105 P111 E153 | A105-H107 PolarHBondContact O-N 3.35Å; H107-P111 WeakPolarHBondContact O-CD 3.47Å; H107-E153 IonicContact CE1-OE1 3.66Å; H107-E153 IonicContact CE1-OE2 3.21Å; H107-E153 PolarHBondContact CE1-OE2 3.34Å; H107-E153 IonicContact ND1-OE2 3.61Å |
| 108 | A | 90.6 | Very high | 93.1 | Very high | 69 Ų | 69 | 37.2 Ų | 37.2 | 57% | 0.57 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -79.4 | -41.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A105 L106 | A105-A108 PolarHBondContact O-N 3.31Å; L106-A108 VanDerWaalsContact C-N 3.34Å; L106-A108 PolarHBondContact O-N 3.35Å |
| 109 | Q | 92.8 | Very high | 93 | Very high | 39 Ų | 39 | 42.4 Ų | 42.4 | 18% | 0.182 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -104.9 | -32.5 | -167.8 | -58.3 | -63.2 | -22.6 | 0 | 0 | 113.3 | I71 I75 A105 S112 I113 | I71-Q109 HydrophobicContact CG2-CG 3.89Å; I75-Q109 HydrophobicContact CD1-CB 3.79Å; I75-Q109 HydrophobicContact CD1-CG 3.68Å; A105-Q109 HydrophobicContact CB-CG 4.47Å; A105-Q109 WeakPolarHBondContact O-CB 3.35Å; A105-Q109 PolarHBondContact O-N 3.43Å; Q109-S112 PolarHBondContact O-N 2.98Å; Q109-I113 VanDerWaalsContact O-CG1 3.29Å; Q109-I113 WeakPolarHBondContact O-CG1 3.37Å; Q109-I113 PolarHBondContact O-N 3.01Å; Q109-I113 VanDerWaalsContact O-N 3.11Å |
| 110 | L | 93.4 | Very high | 92.8 | Very high | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.1 | -47.6 | -175.9 | -176.1 | 68.8 | 0 | 0 | 0 | 113.3 | V100 L106 S112 I113 I114 I145 L154 Y157 | V100-L110 HydrophobicContact CG2-CD1 4.48Å; L106-L110 HydrophobicContact CD1-CD2 3.8Å; L106-L110 HydrophobicContact CG-CD2 4.38Å; L106-L110 WeakPolarHBondContact O-CB 3.45Å; L106-L110 PolarHBondContact O-N 3.35Å; L110-S112 VanDerWaalsContact C-N 3.33Å; L110-S112 PolarHBondContact O-N 3.21Å; L110-I113 PolarHBondContact O-N 3.45Å; L110-I114 HydrophobicContact CD1-CD1 4.14Å; L110-I114 HydrophobicContact CD1-CG1 3.83Å; L110-I114 HydrophobicContact CG-CG1 4.03Å; L110-I114 WeakPolarHBondContact O-CB 3.41Å; L110-I114 VanDerWaalsContact O-CG1 3.25Å; L110-I114 WeakPolarHBondContact O-CG1 3.35Å; L110-I114 PolarHBondContact O-N 2.95Å; L110-I145 HydrophobicContact CD1-CG2 3.93Å; L110-L154 HydrophobicContact CD1-CD2 4.06Å; L110-L154 HydrophobicContact CD2-CD2 3.83Å; L110-L154 HydrophobicContact CG-CD2 4.48Å; L110-Y157 HydrophobicContact CD2-CE2 4.15Å |
| 111 | P | 94.3 | Very high | 92.5 | Very high | 42 Ų | 42 | 44.6 Ų | 44.6 | 27% | 0.273 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.2 | -45.5 | -177.8 | -20 | 29.7 | 0 | 0 | 0 | 112.1 | H107 I113 I114 S115 Y157 | H107-P111 WeakPolarHBondContact O-CD 3.47Å; P111-I113 PolarHBondContact O-N 2.89Å; P111-I114 PolarHBondContact O-N 3.08Å; P111-S115 PolarHBondContact O-N 2.96Å; P111-S115 PolarHBondContact O-OG 3.35Å; P111-S115 VanDerWaalsContact O-OG 3.09Å; P111-Y157 WeakPolarHBondContact CG-OH 3.33Å |
| 112 | S | 94.4 | Very high | 92.2 | Very high | 66 Ų | 66 | 45.5 Ų | 45.5 | 46% | 0.462 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 178.8 | 178.2 | 0 | 0 | 0 | 0 | 112.2 | Q109 L110 S116 | Q109-S112 PolarHBondContact O-N 2.98Å; L110-S112 VanDerWaalsContact C-N 3.33Å; L110-S112 PolarHBondContact O-N 3.21Å; S112-S116 WeakPolarHBondContact O-CB 3.26Å; S112-S116 PolarHBondContact O-N 3.44Å |
| 113 | I | 94.9 | Very high | 91.5 | Very high | 11 Ų | 11 | 52.2 Ų | 52.2 | 6% | 0.056 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.8 | -41.4 | 179 | -65.3 | -66.6 | 0 | 0 | 0 | 111.4 | I75 L96 V100 Q109 L110 P111 S116 A117 I145 | I75-I113 HydrophobicContact CG2-CD1 3.79Å; L96-I113 HydrophobicContact CD1-CD1 4.23Å; L96-I113 HydrophobicContact CD2-CG2 4.33Å; V100-I113 HydrophobicContact CG1-CG1 4Å; Q109-I113 VanDerWaalsContact O-CG1 3.29Å; Q109-I113 WeakPolarHBondContact O-CG1 3.37Å; Q109-I113 PolarHBondContact O-N 3.01Å; Q109-I113 VanDerWaalsContact O-N 3.11Å; L110-I113 PolarHBondContact O-N 3.45Å; P111-I113 PolarHBondContact O-N 2.89Å; I113-S116 PolarHBondContact O-N 3.22Å; I113-A117 WeakPolarHBondContact O-CB 3.2Å; I113-A117 PolarHBondContact O-N 2.94Å; I113-I145 HydrophobicContact CG2-CD1 4.11Å |
| 114 | I | 94.7 | Very high | 90.8 | Very high | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.8 | -45.6 | 177.9 | -65.9 | -64.1 | 0 | 0 | 0 | 111.2 | L110 P111 S116 A117 I118 Y157 L161 | L110-I114 HydrophobicContact CD1-CD1 4.14Å; L110-I114 HydrophobicContact CD1-CG1 3.83Å; L110-I114 HydrophobicContact CG-CG1 4.03Å; L110-I114 WeakPolarHBondContact O-CB 3.41Å; L110-I114 VanDerWaalsContact O-CG1 3.25Å; L110-I114 WeakPolarHBondContact O-CG1 3.35Å; L110-I114 PolarHBondContact O-N 2.95Å; P111-I114 PolarHBondContact O-N 3.08Å; I114-S116 VanDerWaalsContact C-N 3.31Å; I114-S116 PolarHBondContact O-N 3.35Å; I114-A117 WeakPolarHBondContact O-CB 3.2Å; I114-A117 PolarHBondContact O-N 3.38Å; I114-A117 VanDerWaalsContact O-N 3.11Å; I114-I118 HydrophobicContact CG2-CD1 3.83Å; I114-I118 WeakPolarHBondContact O-CG1 3.41Å; I114-I118 PolarHBondContact O-N 3.06Å; I114-Y157 HydrophobicContact CB-CD1 4.32Å; I114-Y157 HydrophobicContact CG1-CG 4.43Å; I114-Y157 HydrophobicContact CG2-CD1 3.71Å; I114-Y157 HydrophobicContact CG2-CG 3.89Å; I114-L161 HydrophobicContact CD1-CD1 4.23Å; I114-L161 HydrophobicContact CD1-CD2 4.47Å; I114-L161 HydrophobicContact CG2-CD2 4.23Å; I114-L161 HydrophobicContact CG2-CG 4.33Å |
| 115 | S | 94.6 | Very high | 90 | Very high | 74 Ų | 74 | 49.7 Ų | 49.7 | 52% | 0.517 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.6 | -40.7 | 175.5 | -61.1 | 0 | 0 | 0 | 0 | 112 | P111 A117 K119 | P111-S115 PolarHBondContact O-N 2.96Å; P111-S115 PolarHBondContact O-OG 3.35Å; P111-S115 VanDerWaalsContact O-OG 3.09Å; S115-A117 VanDerWaalsContact C-N 3.34Å; S115-K119 WeakPolarHBondContact O-CB 3.45Å; S115-K119 PolarHBondContact O-N 3.35Å |
| 116 | S | 92.8 | Very high | 88.8 | Confident | 47 Ų | 47 | 49.8 Ų | 49.8 | 33% | 0.329 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.7 | -38.5 | 174 | -175.5 | 0 | 0 | 0 | 0 | 112.1 | S112 I113 I114 N120 | S112-S116 WeakPolarHBondContact O-CB 3.26Å; S112-S116 PolarHBondContact O-N 3.44Å; I113-S116 PolarHBondContact O-N 3.22Å; I114-S116 VanDerWaalsContact C-N 3.31Å; I114-S116 PolarHBondContact O-N 3.35Å; S116-N120 WeakPolarHBondContact O-CB 3.31Å; S116-N120 PolarHBondContact O-N 2.74Å; S116-N120 PolarHBondContact O-OD1 3.46Å |
| 117 | A | 93.8 | Very high | 87.8 | Confident | 11 Ų | 11 | 55.8 Ų | 55.8 | 9% | 0.091 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.5 | -45.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | I113 I114 S115 K119 N120 L121 T138 I142 | I113-A117 WeakPolarHBondContact O-CB 3.2Å; I113-A117 PolarHBondContact O-N 2.94Å; I114-A117 WeakPolarHBondContact O-CB 3.2Å; I114-A117 PolarHBondContact O-N 3.38Å; I114-A117 VanDerWaalsContact O-N 3.11Å; S115-A117 VanDerWaalsContact C-N 3.34Å; A117-K119 PolarHBondContact O-N 3.22Å; A117-N120 PolarHBondContact O-N 3.33Å; A117-L121 WeakPolarHBondContact O-CG 3.49Å; A117-L121 PolarHBondContact O-N 3.1Å; A117-T138 HydrophobicContact CB-CG2 3.73Å; A117-I142 HydrophobicContact CB-CD1 4.11Å; A117-I142 HydrophobicContact CB-CG1 4.17Å |
| 118 | I | 94 | Very high | 87.2 | Confident | 40 Ų | 40 | 53 Ų | 53 | 21% | 0.205 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.2 | -49 | 175.5 | -71 | 162.7 | 0 | 0 | 0 | 110.4 | I114 N120 L121 S122 D160 L161 A164 | I114-I118 HydrophobicContact CG2-CD1 3.83Å; I114-I118 WeakPolarHBondContact O-CG1 3.41Å; I114-I118 PolarHBondContact O-N 3.06Å; I118-N120 VanDerWaalsContact C-N 3.33Å; I118-N120 PolarHBondContact O-N 2.92Å; I118-L121 PolarHBondContact O-N 2.9Å; I118-L121 VanDerWaalsContact O-N 3.12Å; I118-S122 PolarHBondContact O-N 3.13Å; I118-S122 PolarHBondContact O-OG 3.23Å; I118-D160 HydrophobicContact CD1-CB 3.72Å; I118-L161 HydrophobicContact CD1-CD2 4.47Å; I118-L161 HydrophobicContact CG1-CD2 3.99Å; I118-A164 HydrophobicContact CB-CB 4.39Å; I118-A164 HydrophobicContact CG1-CB 4.28Å; I118-A164 HydrophobicContact CG2-CB 4.06Å |
| 119 | K | 91.7 | Very high | 86.3 | Confident | 132 Ų | 132 | 53.9 Ų | 53.9 | 57% | 0.574 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -58 | -45.1 | 176.7 | -172.2 | -178.8 | -179.9 | -179.3 | 0 | 111.7 | S115 A117 L121 S122 F123 | S115-K119 WeakPolarHBondContact O-CB 3.45Å; S115-K119 PolarHBondContact O-N 3.35Å; A117-K119 PolarHBondContact O-N 3.22Å; K119-L121 PolarHBondContact O-N 3.3Å; K119-S122 PolarHBondContact O-N 3.17Å; K119-S122 PolarHBondContact O-OG 3.45Å; K119-F123 HydrophobicContact CG-CD2 3.62Å; K119-F123 HydrophobicContact CG-CE2 3.85Å; K119-F123 VanDerWaalsContact O-CD2 3.27Å; K119-F123 WeakPolarHBondContact O-CD2 3.07Å; K119-F123 PolarHBondContact O-N 3.08Å |
| 120 | N | 90.3 | Very high | 85.5 | Confident | 42 Ų | 42 | 58.8 Ų | 58.8 | 23% | 0.225 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63 | -31.3 | 178.7 | -72.3 | -7.6 | 0 | 0 | 0 | 112.7 | S116 A117 I118 A124 Q134 T138 | S116-N120 WeakPolarHBondContact O-CB 3.31Å; S116-N120 PolarHBondContact O-N 2.74Å; S116-N120 PolarHBondContact O-OD1 3.46Å; A117-N120 PolarHBondContact O-N 3.33Å; I118-N120 VanDerWaalsContact C-N 3.33Å; I118-N120 PolarHBondContact O-N 2.92Å; N120-A124 WeakPolarHBondContact O-CB 3.29Å; N120-Q134 VanDerWaalsContact CG-NE2 3.32Å; N120-Q134 PolarHBondContact ND2-NE2 3.07Å; N120-Q134 PolarHBondContact OD1-NE2 3.37Å; N120-Q134 VanDerWaalsContact OD1-NE2 3.14Å; N120-T138 HydrophobicContact CB-CG2 4.24Å |
| 121 | L | 90.2 | Very high | 84.9 | Confident | 4 Ų | 4 | 60.7 Ų | 60.7 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -81.1 | -40.6 | 177.8 | -65.4 | 179.5 | 0 | 0 | 0 | 112.5 | A117 I118 K119 F123 V135 T138 L139 I142 A164 V165 L168 | A117-L121 WeakPolarHBondContact O-CG 3.49Å; A117-L121 PolarHBondContact O-N 3.1Å; I118-L121 PolarHBondContact O-N 2.9Å; I118-L121 VanDerWaalsContact O-N 3.12Å; K119-L121 PolarHBondContact O-N 3.3Å; L121-F123 PolarHBondContact O-N 3.3Å; L121-V135 HydrophobicContact CD2-CG1 3.96Å; L121-T138 HydrophobicContact CD2-CG2 4.03Å; L121-T138 HydrophobicContact CG-CG2 3.99Å; L121-L139 HydrophobicContact CD1-CD2 4.15Å; L121-L139 HydrophobicContact CD2-CD2 3.87Å; L121-L139 HydrophobicContact CD2-CG 4.03Å; L121-I142 HydrophobicContact CD1-CD1 3.63Å; L121-A164 HydrophobicContact CB-CB 4.16Å; L121-A164 HydrophobicContact CD1-CB 4.27Å; L121-V165 HydrophobicContact CD1-CG2 3.75Å; L121-L168 HydrophobicContact CD2-CD1 4.45Å; L121-L168 HydrophobicContact CD2-CD2 4.33Å |
| 122 | S | 86.3 | Confident | 84.4 | Confident | 47 Ų | 47 | 61.3 Ų | 61.3 | 33% | 0.329 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -72.3 | -26.5 | -175.8 | 65.1 | 0 | 0 | 0 | 0 | 113.9 | I118 K119 | I118-S122 PolarHBondContact O-N 3.13Å; I118-S122 PolarHBondContact O-OG 3.23Å; K119-S122 PolarHBondContact O-N 3.17Å; K119-S122 PolarHBondContact O-OG 3.45Å |
| 123 | F | 79.7 | Confident | 83.9 | Confident | 161 Ų | 161 | 60.8 Ų | 60.8 | 71% | 0.706 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.5 | 9.5 | -177.8 | -66.4 | -76 | 0 | 0 | 0 | 113.9 | K119 L121 | K119-F123 HydrophobicContact CG-CD2 3.62Å; K119-F123 HydrophobicContact CG-CE2 3.85Å; K119-F123 VanDerWaalsContact O-CD2 3.27Å; K119-F123 WeakPolarHBondContact O-CD2 3.07Å; K119-F123 PolarHBondContact O-N 3.08Å; L121-F123 PolarHBondContact O-N 3.3Å |
| 124 | A | 74.6 | Confident | 83.6 | Confident | 23 Ų | 23 | 63.1 Ų | 63.1 | 19% | 0.19 | 33% | 0.332 | C | S | . | . | trans | -76.4 | 127.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | N120 V126 V135 | N120-A124 WeakPolarHBondContact O-CB 3.29Å; A124-V126 HydrophobicContact CB-CG2 4.47Å; A124-V126 PolarHBondContact O-N 3.44Å; A124-V135 HydrophobicContact CB-CG2 3.28Å | ||
| 125 | D | 74.5 | Confident | 83.4 | Confident | 82 Ų | 82 | 63 Ų | 63 | 44% | 0.439 | 33% | 0.332 | S | S | . | . | trans | -89.9 | 95 | 161.3 | -176.9 | 5.7 | 0 | 0 | 0 | 109.9 | I127 N128 D131 | D125-I127 PolarHBondContact O-N 2.89Å; D125-I127 WeakPolarHBondContact OD1-CB 3.24Å; D125-I127 WeakPolarHBondContact OD1-CG1 3.48Å; D125-I127 PolarHBondContact OD1-N 3.08Å; D125-I127 VanDerWaalsContact OD1-N 3.11Å; D125-N128 PolarHBondContact O-N 3.41Å; D125-D131 PolarHBondContact N-OD2 3.04Å; D125-D131 WeakPolarHBondContact O-CB 3.37Å | ||
| 126 | V | 67 | Low | 83.2 | Confident | 3 Ų | 3 | 59.9 Ų | 59.9 | 2% | 0.018 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -11.5 | -176.9 | -176.9 | 0 | 0 | 0 | 0 | 113.1 | A124 N128 L168 P169 L178 | A124-V126 HydrophobicContact CB-CG2 4.47Å; A124-V126 PolarHBondContact O-N 3.44Å; V126-N128 VanDerWaalsContact C-N 3.35Å; V126-L168 HydrophobicContact CG2-CD2 4.46Å; V126-P169 HydrophobicContact CB-CG 4.12Å; V126-P169 HydrophobicContact CG2-CG 3.82Å; V126-L178 HydrophobicContact CG1-CD2 3.34Å |
| 127 | I | 69.8 | Low | 83.2 | Confident | 142 Ų | 142 | 57.7 Ų | 57.7 | 73% | 0.728 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -32.2 | 174.8 | -55.8 | 174.7 | 0 | 0 | 0 | 110.7 | D125 | D125-I127 PolarHBondContact O-N 2.89Å; D125-I127 WeakPolarHBondContact OD1-CB 3.24Å; D125-I127 WeakPolarHBondContact OD1-CG1 3.48Å; D125-I127 PolarHBondContact OD1-N 3.08Å; D125-I127 VanDerWaalsContact OD1-N 3.11Å |
| 128 | N | 77.3 | Confident | 83.2 | Confident | 71 Ų | 71 | 57.6 Ų | 57.6 | 38% | 0.38 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -77.3 | 128 | 177.6 | -177 | -1.1 | 0 | 0 | 0 | 110.8 | D125 V126 Q130 D131 Q132 | D125-N128 PolarHBondContact O-N 3.41Å; V126-N128 VanDerWaalsContact C-N 3.35Å; N128-Q130 PolarHBondContact O-N 2.86Å; N128-Q130 PolarHBondContact OD1-N 3.36Å; N128-D131 HydrophobicContact CB-CB 4.13Å; N128-D131 PolarHBondContact O-N 2.87Å; N128-Q132 WeakPolarHBondContact O-CB 3.29Å; N128-Q132 PolarHBondContact O-N 2.82Å |
| 129 | V | 71.9 | Confident | 83.3 | Confident | 88 Ų | 88 | 55.7 Ų | 55.7 | 53% | 0.533 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -56.4 | -36.6 | 178 | 172.9 | 0 | 0 | 0 | 0 | 111.9 | K133 | V129-K133 VanDerWaalsContact O-CG 3.3Å; V129-K133 WeakPolarHBondContact O-CG 3.34Å; V129-K133 PolarHBondContact O-N 3.16Å |
| 130 | Q | 75.9 | Confident | 83.4 | Confident | 143 Ų | 143 | 51.1 Ų | 51.1 | 67% | 0.668 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -71.5 | -44.4 | -179.3 | -165.4 | 170.4 | -6.3 | 0 | 0 | 111.8 | N128 Q132 K133 Q134 | N128-Q130 PolarHBondContact O-N 2.86Å; N128-Q130 PolarHBondContact OD1-N 3.36Å; Q130-Q132 VanDerWaalsContact C-N 3.34Å; Q130-Q132 PolarHBondContact O-N 2.97Å; Q130-K133 WeakPolarHBondContact O-CB 3.22Å; Q130-K133 PolarHBondContact O-N 3.47Å; Q130-Q134 PolarHBondContact O-N 3.01Å |
| 131 | D | 80.1 | Confident | 83.6 | Confident | 43 Ų | 43 | 49.5 Ų | 49.5 | 23% | 0.23 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.4 | -39.1 | 176 | -71.9 | 11.8 | 0 | 0 | 0 | 110.9 | D125 N128 K133 Q134 V135 | D125-D131 PolarHBondContact N-OD2 3.04Å; D125-D131 WeakPolarHBondContact O-CB 3.37Å; N128-D131 HydrophobicContact CB-CB 4.13Å; N128-D131 PolarHBondContact O-N 2.87Å; D131-K133 VanDerWaalsContact C-N 3.28Å; D131-K133 PolarHBondContact O-N 3.14Å; D131-Q134 PolarHBondContact O-N 3.31Å; D131-Q134 VanDerWaalsContact O-N 3.15Å; D131-V135 VanDerWaalsContact O-CG2 3.29Å; D131-V135 WeakPolarHBondContact O-CG2 3.16Å; D131-V135 PolarHBondContact O-N 3.16Å |
| 132 | Q | 83.4 | Confident | 83.9 | Confident | 56 Ų | 56 | 49.3 Ų | 49.3 | 26% | 0.262 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.5 | -39.2 | 175.8 | -169.8 | 179 | 35.3 | 0 | 0 | 112.2 | N128 Q130 C136 L178 | N128-Q132 WeakPolarHBondContact O-CB 3.29Å; N128-Q132 PolarHBondContact O-N 2.82Å; Q130-Q132 VanDerWaalsContact C-N 3.34Å; Q130-Q132 PolarHBondContact O-N 2.97Å; Q132-C136 WeakPolarHBondContact O-CB 3.34Å; Q132-C136 PolarHBondContact O-N 3.14Å; Q132-C136 PolarHBondContact O-SG 3.12Å; Q132-L178 HydrophobicContact CG-CD2 4.43Å |
| 133 | K | 84.5 | Confident | 84.4 | Confident | 54 Ų | 54 | 47.4 Ų | 47.4 | 24% | 0.235 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.9 | -48.1 | 175 | -69.4 | 164.9 | -174.4 | -159 | 0 | 110.9 | D85 Q89 V129 Q130 D131 V135 C136 G137 | D85-K133 HydrophobicContact CB-CD 3.78Å; D85-K133 VanDerWaalsContact CB-CE 3.44Å; D85-K133 HydrophobicContact CB-CG 4.23Å; D85-K133 VanDerWaalsContact CB-NZ 3.27Å; D85-K133 WeakPolarHBondContact OD2-CE 3.35Å; D85-K133 IonicContact OD2-NZ 3.08Å; D85-K133 PolarHBondContact OD2-NZ 3.18Å; Q89-K133 PolarHBondContact NE2-O 2.95Å; V129-K133 VanDerWaalsContact O-CG 3.3Å; V129-K133 WeakPolarHBondContact O-CG 3.34Å; V129-K133 PolarHBondContact O-N 3.16Å; Q130-K133 WeakPolarHBondContact O-CB 3.22Å; Q130-K133 PolarHBondContact O-N 3.47Å; D131-K133 VanDerWaalsContact C-N 3.28Å; D131-K133 PolarHBondContact O-N 3.14Å; K133-V135 VanDerWaalsContact C-N 3.32Å; K133-V135 PolarHBondContact O-N 3.02Å; K133-C136 PolarHBondContact O-N 3.26Å; K133-G137 PolarHBondContact O-N 2.96Å |
| 134 | Q | 88.2 | Confident | 85.2 | Confident | 60 Ų | 60 | 41 Ų | 41 | 28% | 0.28 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.3 | -41.6 | 178.3 | -177 | 171.9 | -0.7 | 0 | 0 | 111.9 | L83 N120 Q130 D131 G137 T138 | L83-Q134 HydrophobicContact CD2-CB 3.87Å; L83-Q134 HydrophobicContact CD2-CG 3.71Å; N120-Q134 VanDerWaalsContact CG-NE2 3.32Å; N120-Q134 PolarHBondContact ND2-NE2 3.07Å; N120-Q134 PolarHBondContact OD1-NE2 3.37Å; N120-Q134 VanDerWaalsContact OD1-NE2 3.14Å; Q130-Q134 PolarHBondContact O-N 3.01Å; D131-Q134 PolarHBondContact O-N 3.31Å; D131-Q134 VanDerWaalsContact O-N 3.15Å; Q134-G137 PolarHBondContact O-N 2.88Å; Q134-T138 VanDerWaalsContact O-CB 3.3Å; Q134-T138 WeakPolarHBondContact O-CB 3.24Å; Q134-T138 PolarHBondContact O-N 3.4Å; Q134-T138 PolarHBondContact O-OG1 2.97Å |
| 135 | V | 90.4 | Very high | 86.2 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.6 | -45.6 | 174.2 | 174.8 | 0 | 0 | 0 | 0 | 111 | L121 A124 D131 K133 G137 T138 L139 L168 L178 | L121-V135 HydrophobicContact CD2-CG1 3.96Å; A124-V135 HydrophobicContact CB-CG2 3.28Å; D131-V135 VanDerWaalsContact O-CG2 3.29Å; D131-V135 WeakPolarHBondContact O-CG2 3.16Å; D131-V135 PolarHBondContact O-N 3.16Å; K133-V135 VanDerWaalsContact C-N 3.32Å; K133-V135 PolarHBondContact O-N 3.02Å; V135-G137 PolarHBondContact O-N 2.98Å; V135-T138 PolarHBondContact O-N 3.15Å; V135-L139 HydrophobicContact CG1-CD1 3.84Å; V135-L139 HydrophobicContact CG1-CG 4.21Å; V135-L139 WeakPolarHBondContact O-CB 3.28Å; V135-L139 WeakPolarHBondContact O-CG 3.38Å; V135-L139 PolarHBondContact O-N 3.46Å; V135-L168 HydrophobicContact CG1-CD1 4.5Å; V135-L168 HydrophobicContact CG1-CD2 4.12Å; V135-L178 HydrophobicContact CG1-CD1 3.57Å |
| 136 | C | 90.9 | Very high | 87.2 | Confident | 8 Ų | 8 | 36.7 Ų | 36.7 | 5% | 0.054 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60 | -45.7 | 177.4 | -73.6 | 0 | 0 | 0 | 0 | 112.2 | Q132 K133 T138 L139 R140 L181 | Q132-C136 WeakPolarHBondContact O-CB 3.34Å; Q132-C136 PolarHBondContact O-N 3.14Å; Q132-C136 PolarHBondContact O-SG 3.12Å; K133-C136 PolarHBondContact O-N 3.26Å; C136-T138 VanDerWaalsContact C-N 3.34Å; C136-L139 PolarHBondContact O-N 3.36Å; C136-R140 WeakPolarHBondContact O-CB 3.28Å; C136-R140 VanDerWaalsContact O-CG 3.29Å; C136-R140 WeakPolarHBondContact O-CG 3.11Å; C136-R140 PolarHBondContact O-N 3.23Å; C136-L181 HydrophobicContact CB-CD1 3.93Å |
| 137 | G | 92.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61 | -43.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L82 K133 Q134 V135 R140 S141 | L82-G137 WeakPolarHBondContact CD2-O 3.35Å; K133-G137 PolarHBondContact O-N 2.96Å; Q134-G137 PolarHBondContact O-N 2.88Å; V135-G137 PolarHBondContact O-N 2.98Å; G137-R140 PolarHBondContact O-N 3.42Å; G137-S141 WeakPolarHBondContact O-CB 3.32Å; G137-S141 PolarHBondContact O-N 3.4Å; G137-S141 PolarHBondContact O-OG 3.44Å |
| 138 | T | 94.2 | Very high | 89.6 | Confident | 10 Ų | 10 | 37 Ų | 37 | 6% | 0.061 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.4 | -49.3 | 178 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | A117 N120 L121 Q134 V135 C136 R140 S141 I142 | A117-T138 HydrophobicContact CB-CG2 3.73Å; N120-T138 HydrophobicContact CB-CG2 4.24Å; L121-T138 HydrophobicContact CD2-CG2 4.03Å; L121-T138 HydrophobicContact CG-CG2 3.99Å; Q134-T138 VanDerWaalsContact O-CB 3.3Å; Q134-T138 WeakPolarHBondContact O-CB 3.24Å; Q134-T138 PolarHBondContact O-N 3.4Å; Q134-T138 PolarHBondContact O-OG1 2.97Å; V135-T138 PolarHBondContact O-N 3.15Å; C136-T138 VanDerWaalsContact C-N 3.34Å; T138-R140 PolarHBondContact O-N 2.85Å; T138-S141 WeakPolarHBondContact O-CB 3.4Å; T138-S141 PolarHBondContact O-N 2.87Å; T138-S141 VanDerWaalsContact O-N 3.15Å; T138-I142 HydrophobicContact CG2-CD1 3.95Å; T138-I142 WeakPolarHBondContact O-CG1 3.39Å; T138-I142 PolarHBondContact O-N 3.07Å |
| 139 | L | 94.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.7 | -38.9 | 178 | -68.8 | 173.1 | 0 | 0 | 0 | 112.4 | L121 V135 C136 S141 A143 V165 L168 L178 L181 E182 V185 | L121-L139 HydrophobicContact CD1-CD2 4.15Å; L121-L139 HydrophobicContact CD2-CD2 3.87Å; L121-L139 HydrophobicContact CD2-CG 4.03Å; V135-L139 HydrophobicContact CG1-CD1 3.84Å; V135-L139 HydrophobicContact CG1-CG 4.21Å; V135-L139 WeakPolarHBondContact O-CB 3.28Å; V135-L139 WeakPolarHBondContact O-CG 3.38Å; V135-L139 PolarHBondContact O-N 3.46Å; C136-L139 PolarHBondContact O-N 3.36Å; L139-S141 VanDerWaalsContact C-N 3.3Å; L139-S141 PolarHBondContact O-N 3.19Å; L139-A143 VanDerWaalsContact O-CB 3.31Å; L139-A143 WeakPolarHBondContact O-CB 3.09Å; L139-A143 PolarHBondContact O-N 3.36Å; L139-V165 HydrophobicContact CD2-CG2 4.13Å; L139-L168 HydrophobicContact CD1-CD1 4.19Å; L139-L168 HydrophobicContact CD2-CD1 4.3Å; L139-L178 HydrophobicContact CD1-CD1 3.44Å; L139-L178 VanDerWaalsContact CD1-CD1 3.44Å; L139-L181 HydrophobicContact CB-CB 3.99Å; L139-L181 HydrophobicContact CD1-CB 4.15Å; L139-E182 HydrophobicContact CD1-CB 4.39Å; L139-V185 HydrophobicContact CB-CG2 3.97Å; L139-V185 HydrophobicContact CD2-CB 4.3Å; L139-V185 HydrophobicContact CD2-CG1 4.46Å; L139-V185 HydrophobicContact CD2-CG2 3.89Å; L139-V185 WeakPolarHBondContact O-CG2 3.4Å |
| 140 | R | 94.2 | Very high | 91.3 | Very high | 36 Ų | 36 | 32.8 Ų | 32.8 | 14% | 0.136 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.8 | -43.9 | 173 | -77.4 | 174.9 | 177.5 | -86.1 | 9 | 111.4 | E90 A93 C136 G137 T138 A143 N144 L181 | E90-R140 IonicContact OE1-NH1 2.76Å; A93-R140 HydrophobicContact CB-CB 3.5Å; C136-R140 WeakPolarHBondContact O-CB 3.28Å; C136-R140 VanDerWaalsContact O-CG 3.29Å; C136-R140 WeakPolarHBondContact O-CG 3.11Å; C136-R140 PolarHBondContact O-N 3.23Å; G137-R140 PolarHBondContact O-N 3.42Å; T138-R140 PolarHBondContact O-N 2.85Å; R140-A143 PolarHBondContact O-N 3.09Å; R140-N144 PolarHBondContact O-N 2.84Å; R140-N144 PolarHBondContact O-ND2 2.85Å; R140-L181 HydrophobicContact CG-CD1 3.77Å; R140-L181 HydrophobicContact CG-CD2 3.45Å; R140-L181 VanDerWaalsContact CG-CD2 3.45Å; R140-L181 HydrophobicContact CG-CG 4.27Å |
| 141 | S | 95.5 | Very high | 92 | Very high | 7 Ų | 7 | 29.6 Ų | 29.6 | 5% | 0.049 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.6 | -50.3 | 180 | -58.8 | 0 | 0 | 0 | 0 | 110.7 | L82 G137 T138 L139 A143 N144 I145 | L82-S141 VanDerWaalsContact CD1-OG 3.3Å; L82-S141 WeakPolarHBondContact CD1-OG 3.39Å; L82-S141 VanDerWaalsContact CD2-OG 3.31Å; L82-S141 WeakPolarHBondContact CD2-OG 3.44Å; G137-S141 WeakPolarHBondContact O-CB 3.32Å; G137-S141 PolarHBondContact O-N 3.4Å; G137-S141 PolarHBondContact O-OG 3.44Å; T138-S141 WeakPolarHBondContact O-CB 3.4Å; T138-S141 PolarHBondContact O-N 2.87Å; T138-S141 VanDerWaalsContact O-N 3.15Å; L139-S141 VanDerWaalsContact C-N 3.3Å; L139-S141 PolarHBondContact O-N 3.19Å; S141-A143 VanDerWaalsContact C-N 3.34Å; S141-A143 PolarHBondContact O-N 2.95Å; S141-N144 PolarHBondContact O-N 3.24Å; S141-N144 VanDerWaalsContact O-N 3.16Å; S141-I145 WeakPolarHBondContact O-CB 3.4Å; S141-I145 VanDerWaalsContact O-CG1 3.25Å; S141-I145 WeakPolarHBondContact O-CG1 3.45Å; S141-I145 PolarHBondContact O-N 2.96Å |
| 142 | I | 96.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -56.6 | -47.9 | 175.3 | -64.9 | 161.5 | 0 | 0 | 0 | 110.6 | A117 L121 T138 N144 I145 C146 L161 V185 | A117-I142 HydrophobicContact CB-CD1 4.11Å; A117-I142 HydrophobicContact CB-CG1 4.17Å; L121-I142 HydrophobicContact CD1-CD1 3.63Å; T138-I142 HydrophobicContact CG2-CD1 3.95Å; T138-I142 WeakPolarHBondContact O-CG1 3.39Å; T138-I142 PolarHBondContact O-N 3.07Å; I142-N144 VanDerWaalsContact C-N 3.26Å; I142-N144 PolarHBondContact O-N 2.76Å; I142-I145 PolarHBondContact O-N 3.07Å; I142-C146 WeakPolarHBondContact O-CB 3.36Å; I142-C146 PolarHBondContact O-N 3.04Å; I142-C146 PolarHBondContact O-SG 3.18Å; I142-L161 HydrophobicContact CD1-CD2 4.09Å; I142-L161 HydrophobicContact CG1-CD2 4.26Å; I142-L161 HydrophobicContact CG2-CD2 4.42Å; I142-V185 HydrophobicContact CB-CG1 4.42Å; I142-V185 HydrophobicContact CB-CG2 4.29Å; I142-V185 HydrophobicContact CG2-CG1 3.66Å; I142-V185 HydrophobicContact CG2-CG2 4.3Å |
| 143 | A | 96.1 | Very high | 92.9 | Very high | 7 Ų | 7 | 32.9 Ų | 32.9 | 6% | 0.058 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.5 | -32.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L139 R140 S141 K147 K184 V185 | L139-A143 VanDerWaalsContact O-CB 3.31Å; L139-A143 WeakPolarHBondContact O-CB 3.09Å; L139-A143 PolarHBondContact O-N 3.36Å; R140-A143 PolarHBondContact O-N 3.09Å; S141-A143 VanDerWaalsContact C-N 3.34Å; S141-A143 PolarHBondContact O-N 2.95Å; A143-K147 WeakPolarHBondContact O-CB 3.41Å; A143-K147 PolarHBondContact O-N 3.24Å; A143-K184 HydrophobicContact CB-CG 4.16Å; A143-V185 HydrophobicContact CB-CG2 3.82Å |
| 144 | N | 95.9 | Very high | 93.4 | Very high | 27 Ų | 27 | 30.4 Ų | 30.4 | 14% | 0.144 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -80 | -43.3 | 175.7 | -76.1 | -29.3 | 0 | 0 | 0 | 111.8 | A93 F94 A97 R140 S141 I142 K147 L148 | A93-N144 PolarHBondContact O-ND2 2.75Å; A93-N144 VanDerWaalsContact O-ND2 3.16Å; F94-N144 PolarHBondContact N-ND2 3.45Å; A97-N144 HydrophobicContact CB-CB 3.39Å; R140-N144 PolarHBondContact O-N 2.84Å; R140-N144 PolarHBondContact O-ND2 2.85Å; S141-N144 PolarHBondContact O-N 3.24Å; S141-N144 VanDerWaalsContact O-N 3.16Å; I142-N144 VanDerWaalsContact C-N 3.26Å; I142-N144 PolarHBondContact O-N 2.76Å; N144-K147 WeakPolarHBondContact O-CA 3.27Å; N144-K147 WeakPolarHBondContact O-CB 3.36Å; N144-K147 PolarHBondContact O-N 3.42Å; N144-L148 WeakPolarHBondContact O-CG 3.47Å; N144-L148 PolarHBondContact O-N 3.03Å |
| 145 | I | 97 | Very high | 93.7 | Very high | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57 | -52.5 | 175.6 | -69.5 | 166.7 | 0 | 0 | 0 | 109.4 | A97 V100 T101 L110 I113 S141 I142 K147 L148 G149 L154 | A97-I145 HydrophobicContact CB-CG1 3.78Å; V100-I145 HydrophobicContact CG2-CD1 3.91Å; V100-I145 HydrophobicContact CG2-CG1 3.78Å; T101-I145 HydrophobicContact CG2-CG2 4.33Å; L110-I145 HydrophobicContact CD1-CG2 3.93Å; I113-I145 HydrophobicContact CG2-CD1 4.11Å; S141-I145 WeakPolarHBondContact O-CB 3.4Å; S141-I145 VanDerWaalsContact O-CG1 3.25Å; S141-I145 WeakPolarHBondContact O-CG1 3.45Å; S141-I145 PolarHBondContact O-N 2.96Å; I142-I145 PolarHBondContact O-N 3.07Å; I145-K147 PolarHBondContact O-N 3.43Å; I145-K147 VanDerWaalsContact O-N 3.07Å; I145-L148 PolarHBondContact O-N 3.43Å; I145-L148 VanDerWaalsContact O-N 3.16Å; I145-G149 PolarHBondContact O-N 3.49Å; I145-L154 HydrophobicContact CG2-CD1 4.39Å; I145-L154 HydrophobicContact CG2-CD2 3.72Å |
| 146 | C | 95.8 | Very high | 93.9 | Very high | 12 Ų | 12 | 34.1 Ų | 34.1 | 8% | 0.081 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.7 | -12.5 | 177.1 | -59.2 | 0 | 0 | 0 | 0 | 114.5 | I142 R188 L192 | I142-C146 WeakPolarHBondContact O-CB 3.36Å; I142-C146 PolarHBondContact O-N 3.04Å; I142-C146 PolarHBondContact O-SG 3.18Å; C146-R188 HydrophobicContact CB-CB 3.6Å; C146-R188 HydrophobicContact CB-CG 4.29Å; C146-L192 HydrophobicContact CB-CD1 4.31Å |
| 147 | K | 93.9 | Very high | 94.1 | Very high | 92 Ų | 92 | 36.5 Ų | 36.5 | 40% | 0.4 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -90.5 | -37.3 | 174.7 | -178.3 | -165.5 | 170.9 | -133.8 | 0 | 111.8 | A143 N144 I145 | A143-K147 WeakPolarHBondContact O-CB 3.41Å; A143-K147 PolarHBondContact O-N 3.24Å; N144-K147 WeakPolarHBondContact O-CA 3.27Å; N144-K147 WeakPolarHBondContact O-CB 3.36Å; N144-K147 PolarHBondContact O-N 3.42Å; I145-K147 PolarHBondContact O-N 3.43Å; I145-K147 VanDerWaalsContact O-N 3.07Å |
| 148 | L | 92.9 | Very high | 94.2 | Very high | 58 Ų | 58 | 36.5 Ų | 36.5 | 30% | 0.304 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -94.8 | -36.7 | -172.5 | -65.1 | 175.4 | 0 | 0 | 0 | 112.5 | A97 H98 T101 N144 I145 | A97-L148 HydrophobicContact CB-CD1 3.91Å; H98-L148 WeakPolarHBondContact NE2-CD1 3.29Å; T101-L148 HydrophobicContact CG2-CB 4.38Å; N144-L148 WeakPolarHBondContact O-CG 3.47Å; N144-L148 PolarHBondContact O-N 3.03Å; I145-L148 PolarHBondContact O-N 3.43Å; I145-L148 VanDerWaalsContact O-N 3.16Å |
| 149 | G | 91.8 | Very high | 94.3 | Very high | 15 Ų | 15 | 38.3 Ų | 38.3 | 16% | 0.155 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -72.9 | 157.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | I145 | I145-G149 PolarHBondContact O-N 3.49Š|
| 150 | S | 91.7 | Very high | 94.3 | Very high | 56 Ų | 56 | 42.8 Ų | 42.8 | 39% | 0.392 | 23% | 0.232 | S | C | . | . | trans | -72.4 | 148.7 | 176.5 | 64.3 | 0 | 0 | 0 | 0 | 111.2 | T152 E153 L154 | S150-T152 VanDerWaalsContact C-N 3.35Å; S150-T152 PolarHBondContact O-N 3.27Å; S150-T152 PolarHBondContact OG-OG1 3.45Å; S150-E153 WeakPolarHBondContact OG-CB 3.25Å; S150-E153 WeakPolarHBondContact OG-CG 3.43Å; S150-L154 WeakPolarHBondContact O-CG 3.23Å; S150-L154 PolarHBondContact O-N 2.83Å | ||
| 151 | R | 91.4 | Very high | 94.4 | Very high | 77 Ų | 77 | 41.1 Ų | 41.1 | 29% | 0.291 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.2 | -41.5 | 179.2 | 179 | -177.2 | 176.4 | -89.2 | -2.3 | 111.9 | E153 L154 L155 L192 F193 | R151-E153 PolarHBondContact O-N 2.95Å; R151-L154 PolarHBondContact O-N 3.4Å; R151-L155 VanDerWaalsContact O-CB 3.23Å; R151-L155 WeakPolarHBondContact O-CB 3.4Å; R151-L155 PolarHBondContact O-N 3.31Å; R151-L192 HydrophobicContact CG-CD2 4.49Å; R151-L192 PolarHBondContact NE-O 3.42Å; R151-L192 PolarHBondContact NH2-O 2.95Å; R151-F193 PolarHBondContact NH2-O 3.28Å; R151-F193 VanDerWaalsContact NH2-O 3.08Å |
| 152 | T | 90.3 | Very high | 94.4 | Very high | 102 Ų | 102 | 40.9 Ų | 40.9 | 63% | 0.626 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -56.3 | -40.2 | -177.2 | 46 | 0 | 0 | 0 | 0 | 112 | S150 | S150-T152 VanDerWaalsContact C-N 3.35Å; S150-T152 PolarHBondContact O-N 3.27Å; S150-T152 PolarHBondContact OG-OG1 3.45Å |
| 153 | E | 92.8 | Very high | 94.4 | Very high | 66 Ų | 66 | 43.7 Ų | 43.7 | 31% | 0.308 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -84.2 | -28.7 | -174.8 | -60.7 | -70.4 | 159 | 0 | 0 | 112.2 | L106 H107 S150 R151 Y157 | L106-E153 HydrophobicContact CD2-CB 3.95Å; L106-E153 HydrophobicContact CD2-CG 3.6Å; H107-E153 IonicContact CE1-OE1 3.66Å; H107-E153 IonicContact CE1-OE2 3.21Å; H107-E153 PolarHBondContact CE1-OE2 3.34Å; H107-E153 IonicContact ND1-OE2 3.61Å; S150-E153 WeakPolarHBondContact OG-CB 3.25Å; S150-E153 WeakPolarHBondContact OG-CG 3.43Å; R151-E153 PolarHBondContact O-N 2.95Å; E153-Y157 WeakPolarHBondContact O-CE2 3.24Å |
| 154 | L | 94.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -94 | -22.9 | -177.4 | -70.1 | 171.4 | 0 | 0 | 0 | 114.4 | L110 I145 S150 R151 P156 Y157 A158 L192 | L110-L154 HydrophobicContact CD1-CD2 4.06Å; L110-L154 HydrophobicContact CD2-CD2 3.83Å; L110-L154 HydrophobicContact CG-CD2 4.48Å; I145-L154 HydrophobicContact CG2-CD1 4.39Å; I145-L154 HydrophobicContact CG2-CD2 3.72Å; S150-L154 WeakPolarHBondContact O-CG 3.23Å; S150-L154 PolarHBondContact O-N 2.83Å; R151-L154 PolarHBondContact O-N 3.4Å; L154-P156 VanDerWaalsContact C-CD 3.41Å; L154-Y157 PolarHBondContact O-N 2.58Å; L154-Y157 VanDerWaalsContact O-N 3.14Å; L154-A158 PolarHBondContact O-N 2.92Å; L154-L192 HydrophobicContact CB-CD1 3.92Å; L154-L192 HydrophobicContact CB-CD2 3.92Å; L154-L192 HydrophobicContact CD1-CD2 4.3Å |
| 155 | L | 94.1 | Very high | 94.2 | Very high | 46 Ų | 46 | 42.2 Ų | 42.2 | 24% | 0.241 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -55.8 | -40.8 | -179.4 | -178.5 | 63.8 | 0 | 0 | 0 | 113.6 | R151 Y157 A158 F193 | R151-L155 VanDerWaalsContact O-CB 3.23Å; R151-L155 WeakPolarHBondContact O-CB 3.4Å; R151-L155 PolarHBondContact O-N 3.31Å; L155-Y157 PolarHBondContact O-N 3.5Å; L155-Y157 VanDerWaalsContact O-N 3.1Å; L155-A158 HydrophobicContact CD1-CB 4.42Å; L155-A158 WeakPolarHBondContact O-CB 3.41Å; L155-A158 PolarHBondContact O-N 2.81Å; L155-F193 HydrophobicContact CD1-CD1 4.1Å |
| 156 | P | 94.6 | Very high | 93.9 | Very high | 93 Ų | 93 | 44 Ų | 44 | 60% | 0.604 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -57.9 | -25.7 | 178.2 | -26.2 | 36.1 | 0 | 0 | 0 | 114.2 | L154 | L154-P156 VanDerWaalsContact C-CD 3.41Š|
| 157 | Y | 95.3 | Very high | 93.6 | Very high | 59 Ų | 59 | 49.2 Ų | 49.2 | 23% | 0.231 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -95.9 | -7.5 | -179.3 | -55.6 | -72.6 | 0 | 0 | 0 | 113.6 | L110 P111 I114 E153 L154 L155 S159 D160 L161 | L110-Y157 HydrophobicContact CD2-CE2 4.15Å; P111-Y157 WeakPolarHBondContact CG-OH 3.33Å; I114-Y157 HydrophobicContact CB-CD1 4.32Å; I114-Y157 HydrophobicContact CG1-CG 4.43Å; I114-Y157 HydrophobicContact CG2-CD1 3.71Å; I114-Y157 HydrophobicContact CG2-CG 3.89Å; E153-Y157 WeakPolarHBondContact O-CE2 3.24Å; L154-Y157 PolarHBondContact O-N 2.58Å; L154-Y157 VanDerWaalsContact O-N 3.14Å; L155-Y157 PolarHBondContact O-N 3.5Å; L155-Y157 VanDerWaalsContact O-N 3.1Å; Y157-S159 PolarHBondContact O-N 3.21Å; Y157-D160 PolarHBondContact O-N 3.06Å; Y157-L161 WeakPolarHBondContact O-CB 3.49Å; Y157-L161 VanDerWaalsContact O-CG 3.28Å; Y157-L161 WeakPolarHBondContact O-CG 3.4Å; Y157-L161 PolarHBondContact O-N 3.04Å |
| 158 | A | 95 | Very high | 93.3 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.6 | -40.1 | -166.3 | 0 | 0 | 0 | 0 | 0 | 113 | L154 L155 L162 L192 F193 | L154-A158 PolarHBondContact O-N 2.92Å; L155-A158 HydrophobicContact CD1-CB 4.42Å; L155-A158 WeakPolarHBondContact O-CB 3.41Å; L155-A158 PolarHBondContact O-N 2.81Å; A158-L162 WeakPolarHBondContact O-CB 3.48Å; A158-L162 PolarHBondContact O-N 3.38Å; A158-L192 HydrophobicContact CB-CB 4.09Å; A158-L192 HydrophobicContact CB-CD1 4.17Å; A158-F193 VanDerWaalsContact C-CZ 3.5Å; A158-F193 HydrophobicContact CB-CD1 4.1Å; A158-F193 HydrophobicContact CB-CE1 3.44Å; A158-F193 VanDerWaalsContact CB-CE1 3.44Å; A158-F193 HydrophobicContact CB-CE2 4.47Å; A158-F193 HydrophobicContact CB-CZ 3.66Å |
| 159 | S | 95.5 | Very high | 92.7 | Very high | 47 Ų | 47 | 45 Ų | 45 | 33% | 0.329 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -68.7 | -41 | 179.5 | -56 | 0 | 0 | 0 | 0 | 112.2 | Y157 L162 S163 E265 | Y157-S159 PolarHBondContact O-N 3.21Å; S159-L162 WeakPolarHBondContact O-CB 3.45Å; S159-L162 PolarHBondContact O-N 3.38Å; S159-S163 PolarHBondContact O-N 2.7Å; S159-E265 PolarHBondContact OG-OE1 3.1Å |
| 160 | D | 95.1 | Very high | 91.7 | Very high | 95 Ų | 95 | 46.7 Ų | 46.7 | 51% | 0.508 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66.4 | -41.7 | 176.5 | -64 | -25.1 | 0 | 0 | 0 | 111.6 | I118 Y157 L162 S163 A164 | I118-D160 HydrophobicContact CD1-CB 3.72Å; Y157-D160 PolarHBondContact O-N 3.06Å; D160-L162 VanDerWaalsContact C-N 3.34Å; D160-S163 PolarHBondContact O-N 3.21Å; D160-A164 WeakPolarHBondContact O-CB 3.38Å; D160-A164 PolarHBondContact O-N 3.18Å |
| 161 | L | 96.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.3 | -41.8 | 173.2 | -75 | 170.8 | 0 | 0 | 0 | 111.8 | I114 I118 I142 Y157 A164 V165 I189 | I114-L161 HydrophobicContact CD1-CD1 4.23Å; I114-L161 HydrophobicContact CD1-CD2 4.47Å; I114-L161 HydrophobicContact CG2-CD2 4.23Å; I114-L161 HydrophobicContact CG2-CG 4.33Å; I118-L161 HydrophobicContact CD1-CD2 4.47Å; I118-L161 HydrophobicContact CG1-CD2 3.99Å; I142-L161 HydrophobicContact CD1-CD2 4.09Å; I142-L161 HydrophobicContact CG1-CD2 4.26Å; I142-L161 HydrophobicContact CG2-CD2 4.42Å; Y157-L161 WeakPolarHBondContact O-CB 3.49Å; Y157-L161 VanDerWaalsContact O-CG 3.28Å; Y157-L161 WeakPolarHBondContact O-CG 3.4Å; Y157-L161 PolarHBondContact O-N 3.04Å; L161-A164 PolarHBondContact O-N 3.03Å; L161-V165 VanDerWaalsContact O-CG2 3.23Å; L161-V165 WeakPolarHBondContact O-CG2 3.46Å; L161-V165 PolarHBondContact O-N 3.35Å; L161-I189 HydrophobicContact CB-CD1 3.83Å |
| 162 | L | 96.2 | Very high | 89.2 | Confident | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.016 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.5 | -53.2 | 176.8 | -179.2 | 61.6 | 0 | 0 | 0 | 109.9 | A158 S159 D160 A164 V165 L166 L186 I189 F193 E265 V269 | A158-L162 WeakPolarHBondContact O-CB 3.48Å; A158-L162 PolarHBondContact O-N 3.38Å; S159-L162 WeakPolarHBondContact O-CB 3.45Å; S159-L162 PolarHBondContact O-N 3.38Å; D160-L162 VanDerWaalsContact C-N 3.34Å; L162-A164 VanDerWaalsContact C-N 3.31Å; L162-A164 PolarHBondContact O-N 3.04Å; L162-V165 PolarHBondContact O-N 3.13Å; L162-V165 VanDerWaalsContact O-N 3.12Å; L162-L166 HydrophobicContact CD1-CD1 3.85Å; L162-L166 HydrophobicContact CD1-CD2 4.38Å; L162-L166 HydrophobicContact CD1-CG 3.96Å; L162-L166 HydrophobicContact CD2-CD1 4.24Å; L162-L166 HydrophobicContact CG-CD1 3.64Å; L162-L166 HydrophobicContact CG-CG 4.18Å; L162-L166 VanDerWaalsContact O-CG 3.25Å; L162-L166 WeakPolarHBondContact O-CG 3.39Å; L162-L166 PolarHBondContact O-N 3.3Å; L162-L186 HydrophobicContact CD1-CD2 3.78Å; L162-I189 HydrophobicContact CB-CG2 3.98Å; L162-I189 HydrophobicContact CD1-CG2 4.33Å; L162-F193 HydrophobicContact CB-CE2 4.38Å; L162-F193 HydrophobicContact CB-CZ 4.38Å; L162-F193 HydrophobicContact CD2-CE2 3.91Å; L162-F193 HydrophobicContact CD2-CZ 4.33Å; L162-E265 HydrophobicContact CD2-CB 3.75Å; L162-E265 HydrophobicContact CD2-CG 4.09Å; L162-V269 HydrophobicContact CD1-CG2 3.55Å; L162-V269 HydrophobicContact CD2-CG2 4.18Å |
| 163 | S | 95.1 | Very high | 88.1 | Confident | 59 Ų | 59 | 47.9 Ų | 47.9 | 41% | 0.413 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -54.1 | -46.9 | 178.7 | -177.7 | 0 | 0 | 0 | 0 | 111.8 | S159 D160 V165 L166 Q167 | S159-S163 PolarHBondContact O-N 2.7Å; D160-S163 PolarHBondContact O-N 3.21Å; S163-V165 PolarHBondContact O-N 3.49Å; S163-L166 PolarHBondContact O-N 3.19Å; S163-Q167 WeakPolarHBondContact O-CG 3.5Å; S163-Q167 PolarHBondContact O-N 3.21Å; S163-Q167 VanDerWaalsContact O-N 3.08Å |
| 164 | A | 94.2 | Very high | 87.3 | Confident | 3 Ų | 3 | 45.5 Ų | 45.5 | 3% | 0.025 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.4 | -37.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | I118 L121 D160 L161 L162 | I118-A164 HydrophobicContact CB-CB 4.39Å; I118-A164 HydrophobicContact CG1-CB 4.28Å; I118-A164 HydrophobicContact CG2-CB 4.06Å; L121-A164 HydrophobicContact CB-CB 4.16Å; L121-A164 HydrophobicContact CD1-CB 4.27Å; D160-A164 WeakPolarHBondContact O-CB 3.38Å; D160-A164 PolarHBondContact O-N 3.18Å; L161-A164 PolarHBondContact O-N 3.03Å; L162-A164 VanDerWaalsContact C-N 3.31Å; L162-A164 PolarHBondContact O-N 3.04Å |
| 165 | V | 93.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -72.7 | -38.5 | 177.4 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | L121 L139 L161 L162 S163 Q167 L168 E182 V185 L186 I189 | L121-V165 HydrophobicContact CD1-CG2 3.75Å; L139-V165 HydrophobicContact CD2-CG2 4.13Å; L161-V165 VanDerWaalsContact O-CG2 3.23Å; L161-V165 WeakPolarHBondContact O-CG2 3.46Å; L161-V165 PolarHBondContact O-N 3.35Å; L162-V165 PolarHBondContact O-N 3.13Å; L162-V165 VanDerWaalsContact O-N 3.12Å; S163-V165 PolarHBondContact O-N 3.49Å; V165-Q167 VanDerWaalsContact C-N 3.29Å; V165-Q167 PolarHBondContact O-N 3.21Å; V165-L168 HydrophobicContact CG1-CD1 4.48Å; V165-L168 WeakPolarHBondContact O-CB 3.48Å; V165-L168 WeakPolarHBondContact O-CG 3.45Å; V165-L168 PolarHBondContact O-N 3.05Å; V165-E182 HydrophobicContact CG1-CG 3.95Å; V165-V185 HydrophobicContact CG2-CG1 3.75Å; V165-L186 HydrophobicContact CG1-CD2 3.95Å; V165-L186 HydrophobicContact CG1-CG 4.13Å; V165-I189 HydrophobicContact CG2-CD1 4.19Å |
| 166 | L | 91.8 | Very high | 86.2 | Confident | 40 Ų | 40 | 49.3 Ų | 49.3 | 21% | 0.209 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -69.9 | -24.7 | 179.6 | -67.7 | 173.9 | 0 | 0 | 0 | 113.4 | L162 S163 L168 L186 E268 K272 | L162-L166 HydrophobicContact CD1-CD1 3.85Å; L162-L166 HydrophobicContact CD1-CD2 4.38Å; L162-L166 HydrophobicContact CD1-CG 3.96Å; L162-L166 HydrophobicContact CD2-CD1 4.24Å; L162-L166 HydrophobicContact CG-CD1 3.64Å; L162-L166 HydrophobicContact CG-CG 4.18Å; L162-L166 VanDerWaalsContact O-CG 3.25Å; L162-L166 WeakPolarHBondContact O-CG 3.39Å; L162-L166 PolarHBondContact O-N 3.3Å; S163-L166 PolarHBondContact O-N 3.19Å; L166-L168 PolarHBondContact O-N 3.41Å; L166-L186 HydrophobicContact CD2-CD2 4.19Å; L166-E268 HydrophobicContact CD1-CG 3.94Å; L166-E268 VanDerWaalsContact CD1-OE1 3.25Å; L166-E268 WeakPolarHBondContact CD1-OE1 3.41Å; L166-E268 WeakPolarHBondContact CD1-OE2 3.39Å; L166-K272 HydrophobicContact CD2-CD 4.18Å; L166-K272 HydrophobicContact CD2-CG 3.69Å |
| 167 | Q | 89.3 | Confident | 85.8 | Confident | 122 Ų | 122 | 47.5 Ų | 47.5 | 57% | 0.57 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -9.6 | 173.9 | -74.4 | 174.4 | 7 | 0 | 0 | 113.7 | S163 V165 | S163-Q167 WeakPolarHBondContact O-CG 3.5Å; S163-Q167 PolarHBondContact O-N 3.21Å; S163-Q167 VanDerWaalsContact O-N 3.08Å; V165-Q167 VanDerWaalsContact C-N 3.29Å; V165-Q167 PolarHBondContact O-N 3.21Å |
| 168 | L | 88.1 | Confident | 85.5 | Confident | 12 Ų | 12 | 44.7 Ų | 44.7 | 6% | 0.063 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -60.8 | 142.6 | 175.5 | -69.9 | 172.8 | 0 | 0 | 0 | 110.7 | L121 V126 V135 L139 V165 L166 | L121-L168 HydrophobicContact CD2-CD1 4.45Å; L121-L168 HydrophobicContact CD2-CD2 4.33Å; V126-L168 HydrophobicContact CG2-CD2 4.46Å; V135-L168 HydrophobicContact CG1-CD1 4.5Å; V135-L168 HydrophobicContact CG1-CD2 4.12Å; L139-L168 HydrophobicContact CD1-CD1 4.19Å; L139-L168 HydrophobicContact CD2-CD1 4.3Å; V165-L168 HydrophobicContact CG1-CD1 4.48Å; V165-L168 WeakPolarHBondContact O-CB 3.48Å; V165-L168 WeakPolarHBondContact O-CG 3.45Å; V165-L168 PolarHBondContact O-N 3.05Å; L166-L168 PolarHBondContact O-N 3.41Å |
| 169 | P | 79.6 | Confident | 85.3 | Confident | 50 Ų | 50 | 44.9 Ų | 44.9 | 33% | 0.325 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -52.1 | 163.2 | -178.8 | -28.2 | 34.5 | 0 | 0 | 0 | 114.7 | V126 K174 | V126-P169 HydrophobicContact CB-CG 4.12Å; V126-P169 HydrophobicContact CG2-CG 3.82Å; P169-K174 WeakPolarHBondContact O-CE 3.39Å; P169-K174 PolarHBondContact O-NZ 3.47Å |
| 170 | G | 70.5 | Confident | 85.2 | Confident | 50 Ų | 50 | 48 Ų | 48 | 52% | 0.515 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 164.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | S172 S173 | G170-S172 PolarHBondContact O-N 3.45Å; G170-S172 VanDerWaalsContact O-N 3.12Å; G170-S173 PolarHBondContact O-N 3.49Å; G170-S173 PolarHBondContact O-OG 3.09Å |
| 171 | D | 66.9 | Low | 85.1 | Confident | 76 Ų | 76 | 44 Ų | 44 | 41% | 0.406 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -58.8 | -25.5 | -175.3 | -83.4 | -13.7 | 0 | 0 | 0 | 115 | S173 K174 | D171-S173 PolarHBondContact O-N 3.2Å; D171-K174 PolarHBondContact O-N 3.12Å; D171-K174 VanDerWaalsContact O-N 3.12Å |
| 172 | S | 64.2 | Low | 85 | Confident | 130 Ų | 130 | 45.1 Ų | 45.1 | 91% | 0.909 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -63 | -24 | -176.2 | 54 | 0 | 0 | 0 | 0 | 113.9 | G170 | G170-S172 PolarHBondContact O-N 3.45Å; G170-S172 VanDerWaalsContact O-N 3.12Å |
| 173 | S | 67 | Low | 85 | Confident | 54 Ų | 54 | 45.3 Ų | 45.3 | 38% | 0.378 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -99.5 | -4.9 | 177.5 | 57.6 | 0 | 0 | 0 | 0 | 113.8 | G170 D171 | G170-S173 PolarHBondContact O-N 3.49Å; G170-S173 PolarHBondContact O-OG 3.09Å; D171-S173 PolarHBondContact O-N 3.2Å |
| 174 | K | 75.4 | Confident | 85 | Confident | 15 Ų | 15 | 45.1 Ų | 45.1 | 7% | 0.065 | 26% | 0.26 | C | S | . | . | trans | -94.2 | 133.7 | -171.6 | -65.9 | -178.8 | 176.3 | 149.5 | 0 | 112.6 | P169 D171 L178 C179 E182 | P169-K174 WeakPolarHBondContact O-CE 3.39Å; P169-K174 PolarHBondContact O-NZ 3.47Å; D171-K174 PolarHBondContact O-N 3.12Å; D171-K174 VanDerWaalsContact O-N 3.12Å; K174-L178 HydrophobicContact CB-CB 4.49Å; K174-L178 HydrophobicContact CB-CD2 4.18Å; K174-L178 HydrophobicContact CB-CG 4.43Å; K174-L178 HydrophobicContact CD-CD2 4.26Å; K174-L178 HydrophobicContact CD-CG 4.24Å; K174-L178 HydrophobicContact CG-CD2 3.8Å; K174-L178 HydrophobicContact CG-CG 4.23Å; K174-C179 WeakPolarHBondContact CB-SG 3.31Å; K174-E182 WeakPolarHBondContact CD-OE2 3.2Å; K174-E182 WeakPolarHBondContact CE-OE2 3.29Å; K174-E182 IonicContact NZ-OE1 2.9Å; K174-E182 PolarHBondContact NZ-OE1 3.4Å; K174-E182 IonicContact NZ-OE2 2.66Å; K174-E182 PolarHBondContact NZ-OE2 3.21Å | ||
| 175 | G | 80.1 | Confident | 85.2 | Confident | 31 Ų | 31 | 45 Ų | 45 | 32% | 0.32 | 26% | 0.259 | S | S | . | . | trans | -70.8 | 159.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L177 L178 C179 | G175-L177 VanDerWaalsContact C-N 3.25Å; G175-L177 PolarHBondContact O-N 3.29Å; G175-L177 VanDerWaalsContact O-N 3.13Å; G175-L178 PolarHBondContact O-N 3.13Å; G175-C179 PolarHBondContact O-N 2.84Å | ||
| 176 | I | 85.7 | Confident | 85.3 | Confident | 96 Ų | 96 | 45.2 Ų | 45.2 | 49% | 0.492 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -50.9 | -39.7 | -178.4 | -174.5 | 170.3 | 0 | 0 | 0 | 114.2 | R180 F281 | I176-R180 WeakPolarHBondContact O-CB 3.47Å; I176-R180 PolarHBondContact O-N 3.3Å; I176-F281 HydrophobicContact CB-CD1 3.9Å; I176-F281 HydrophobicContact CB-CD2 4.13Å; I176-F281 HydrophobicContact CB-CE1 3.87Å; I176-F281 HydrophobicContact CB-CE2 4.1Å; I176-F281 HydrophobicContact CB-CG 4.03Å; I176-F281 HydrophobicContact CB-CZ 3.96Å; I176-F281 HydrophobicContact CD1-CB 4.01Å; I176-F281 HydrophobicContact CD1-CD1 3.6Å; I176-F281 HydrophobicContact CD1-CE1 4.26Å; I176-F281 HydrophobicContact CD1-CG 3.9Å; I176-F281 HydrophobicContact CG1-CB 3.9Å; I176-F281 HydrophobicContact CG1-CD1 3.7Å; I176-F281 HydrophobicContact CG1-CD2 4.07Å; I176-F281 HydrophobicContact CG1-CE1 4.21Å; I176-F281 HydrophobicContact CG1-CG 3.61Å |
| 177 | L | 87.2 | Confident | 85.6 | Confident | 55 Ų | 55 | 43.3 Ų | 43.3 | 29% | 0.288 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.8 | -44 | -178.4 | 177.4 | 59.7 | 0 | 0 | 0 | 110.9 | G175 R180 L181 | G175-L177 VanDerWaalsContact C-N 3.25Å; G175-L177 PolarHBondContact O-N 3.29Å; G175-L177 VanDerWaalsContact O-N 3.13Å; L177-R180 PolarHBondContact O-N 3.2Å; L177-L181 HydrophobicContact CD1-CD1 3.91Å; L177-L181 HydrophobicContact CD1-CG 4.05Å; L177-L181 HydrophobicContact CG-CD1 3.87Å; L177-L181 HydrophobicContact CG-CG 4.41Å; L177-L181 WeakPolarHBondContact O-CB 3.37Å; L177-L181 VanDerWaalsContact O-CG 3.28Å; L177-L181 WeakPolarHBondContact O-CG 3.3Å; L177-L181 PolarHBondContact O-N 3.4Å |
| 178 | L | 89.4 | Confident | 85.9 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.4 | -52.4 | -177 | -178.7 | 56.5 | 0 | 0 | 0 | 111.2 | V126 Q132 V135 L139 K174 G175 R180 L181 E182 | V126-L178 HydrophobicContact CG1-CD2 3.34Å; Q132-L178 HydrophobicContact CG-CD2 4.43Å; V135-L178 HydrophobicContact CG1-CD1 3.57Å; L139-L178 HydrophobicContact CD1-CD1 3.44Å; L139-L178 VanDerWaalsContact CD1-CD1 3.44Å; K174-L178 HydrophobicContact CB-CB 4.49Å; K174-L178 HydrophobicContact CB-CD2 4.18Å; K174-L178 HydrophobicContact CB-CG 4.43Å; K174-L178 HydrophobicContact CD-CD2 4.26Å; K174-L178 HydrophobicContact CD-CG 4.24Å; K174-L178 HydrophobicContact CG-CD2 3.8Å; K174-L178 HydrophobicContact CG-CG 4.23Å; G175-L178 PolarHBondContact O-N 3.13Å; L178-R180 PolarHBondContact O-N 2.89Å; L178-L181 PolarHBondContact O-N 3.09Å; L178-E182 WeakPolarHBondContact O-CB 3.38Å; L178-E182 PolarHBondContact O-N 3.46Å |
| 179 | C | 90.7 | Very high | 86.3 | Confident | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.02 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -54.3 | -40.8 | 175.7 | -65.8 | 0 | 0 | 0 | 0 | 111.9 | K174 G175 T183 V284 | K174-C179 WeakPolarHBondContact CB-SG 3.31Å; G175-C179 PolarHBondContact O-N 2.84Å; C179-T183 WeakPolarHBondContact O-CB 3.43Å; C179-T183 PolarHBondContact O-N 3.2Å; C179-T183 PolarHBondContact O-OG1 3.1Å; C179-V284 HydrophobicContact CB-CG2 3.72Å |
| 180 | R | 92 | Very high | 87.1 | Confident | 113 Ų | 113 | 36.4 Ų | 36.4 | 43% | 0.426 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -67.6 | -41 | 179.6 | -172.3 | -178.5 | 68.6 | 176.2 | -1.3 | 111.7 | I176 L177 L178 K184 V284 | I176-R180 WeakPolarHBondContact O-CB 3.47Å; I176-R180 PolarHBondContact O-N 3.3Å; L177-R180 PolarHBondContact O-N 3.2Å; L178-R180 PolarHBondContact O-N 2.89Å; R180-K184 VanDerWaalsContact O-CB 3.25Å; R180-K184 WeakPolarHBondContact O-CB 3.23Å; R180-K184 PolarHBondContact O-N 3.39Å; R180-V284 HydrophobicContact CB-CG2 4.06Å |
| 181 | L | 93.4 | Very high | 88.2 | Confident | 12 Ų | 12 | 34.8 Ų | 34.8 | 6% | 0.063 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -69.9 | -43.3 | 179 | -73.1 | 173.4 | 0 | 0 | 0 | 111.8 | C136 L139 R140 L177 L178 K184 V185 | C136-L181 HydrophobicContact CB-CD1 3.93Å; L139-L181 HydrophobicContact CB-CB 3.99Å; L139-L181 HydrophobicContact CD1-CB 4.15Å; R140-L181 HydrophobicContact CG-CD1 3.77Å; R140-L181 HydrophobicContact CG-CD2 3.45Å; R140-L181 VanDerWaalsContact CG-CD2 3.45Å; R140-L181 HydrophobicContact CG-CG 4.27Å; L177-L181 HydrophobicContact CD1-CD1 3.91Å; L177-L181 HydrophobicContact CD1-CG 4.05Å; L177-L181 HydrophobicContact CG-CD1 3.87Å; L177-L181 HydrophobicContact CG-CG 4.41Å; L177-L181 WeakPolarHBondContact O-CB 3.37Å; L177-L181 VanDerWaalsContact O-CG 3.28Å; L177-L181 WeakPolarHBondContact O-CG 3.3Å; L177-L181 PolarHBondContact O-N 3.4Å; L178-L181 PolarHBondContact O-N 3.09Å; L181-K184 CarbonylContact O-C 3.58Å; L181-K184 WeakPolarHBondContact O-CA 3.48Å; L181-K184 VanDerWaalsContact O-CB 3.26Å; L181-K184 WeakPolarHBondContact O-CB 3.48Å; L181-K184 PolarHBondContact O-N 2.86Å; L181-V185 WeakPolarHBondContact O-CG2 3.34Å; L181-V185 PolarHBondContact O-N 3.03Å |
| 182 | E | 94.1 | Very high | 89.5 | Confident | 23 Ų | 23 | 31.6 Ų | 31.6 | 11% | 0.107 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.9 | -52.2 | 173.5 | 177.9 | -176.5 | 178.5 | 0 | 0 | 111.2 | L139 V165 K174 L178 K184 V185 L186 | L139-E182 HydrophobicContact CD1-CB 4.39Å; V165-E182 HydrophobicContact CG1-CG 3.95Å; K174-E182 WeakPolarHBondContact CD-OE2 3.2Å; K174-E182 WeakPolarHBondContact CE-OE2 3.29Å; K174-E182 IonicContact NZ-OE1 2.9Å; K174-E182 PolarHBondContact NZ-OE1 3.4Å; K174-E182 IonicContact NZ-OE2 2.66Å; K174-E182 PolarHBondContact NZ-OE2 3.21Å; L178-E182 WeakPolarHBondContact O-CB 3.38Å; L178-E182 PolarHBondContact O-N 3.46Å; E182-K184 PolarHBondContact O-N 2.87Å; E182-K184 VanDerWaalsContact O-N 3.16Å; E182-V185 PolarHBondContact O-N 3.25Å; E182-L186 HydrophobicContact CG-CD1 4.26Å; E182-L186 WeakPolarHBondContact O-CG 3.43Å; E182-L186 PolarHBondContact O-N 3.15Å |
| 183 | T | 96 | Very high | 91 | Very high | 7 Ų | 7 | 25.4 Ų | 25.4 | 4% | 0.043 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -54.9 | -38.2 | 173.5 | -58.3 | 0 | 0 | 0 | 0 | 111 | C179 Q187 L273 A276 A288 | C179-T183 WeakPolarHBondContact O-CB 3.43Å; C179-T183 PolarHBondContact O-N 3.2Å; C179-T183 PolarHBondContact O-OG1 3.1Å; T183-Q187 WeakPolarHBondContact O-CG 3.44Å; T183-Q187 PolarHBondContact O-N 2.98Å; T183-L273 HydrophobicContact CG2-CD2 3.81Å; T183-A276 HydrophobicContact CG2-CB 4.4Å; T183-A288 HydrophobicContact CG2-CB 3.89Å |
| 184 | K | 96.2 | Very high | 92.1 | Very high | 54 Ų | 54 | 22.8 Ų | 22.8 | 24% | 0.235 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -68.6 | -37.5 | 178.2 | -170.2 | 72.9 | -164.7 | 160.4 | 0 | 112.4 | A143 R180 L181 E182 Q187 R188 | A143-K184 HydrophobicContact CB-CG 4.16Å; R180-K184 VanDerWaalsContact O-CB 3.25Å; R180-K184 WeakPolarHBondContact O-CB 3.23Å; R180-K184 PolarHBondContact O-N 3.39Å; L181-K184 CarbonylContact O-C 3.58Å; L181-K184 WeakPolarHBondContact O-CA 3.48Å; L181-K184 VanDerWaalsContact O-CB 3.26Å; L181-K184 WeakPolarHBondContact O-CB 3.48Å; L181-K184 PolarHBondContact O-N 2.86Å; E182-K184 PolarHBondContact O-N 2.87Å; E182-K184 VanDerWaalsContact O-N 3.16Å; K184-Q187 VanDerWaalsContact NZ-CD 3.35Å; K184-Q187 VanDerWaalsContact O-CG 3.25Å; K184-Q187 WeakPolarHBondContact O-CG 3.34Å; K184-Q187 PolarHBondContact O-NE2 3.36Å; K184-R188 WeakPolarHBondContact O-CG 3.15Å; K184-R188 PolarHBondContact O-N 2.98Å |
| 185 | V | 97.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -71.3 | -46.6 | 176.8 | 170 | 0 | 0 | 0 | 0 | 110.3 | L139 I142 A143 V165 L181 E182 Q187 R188 I189 | L139-V185 HydrophobicContact CB-CG2 3.97Å; L139-V185 HydrophobicContact CD2-CB 4.3Å; L139-V185 HydrophobicContact CD2-CG1 4.46Å; L139-V185 HydrophobicContact CD2-CG2 3.89Å; L139-V185 WeakPolarHBondContact O-CG2 3.4Å; I142-V185 HydrophobicContact CB-CG1 4.42Å; I142-V185 HydrophobicContact CB-CG2 4.29Å; I142-V185 HydrophobicContact CG2-CG1 3.66Å; I142-V185 HydrophobicContact CG2-CG2 4.3Å; A143-V185 HydrophobicContact CB-CG2 3.82Å; V165-V185 HydrophobicContact CG2-CG1 3.75Å; L181-V185 WeakPolarHBondContact O-CG2 3.34Å; L181-V185 PolarHBondContact O-N 3.03Å; E182-V185 PolarHBondContact O-N 3.25Å; V185-Q187 VanDerWaalsContact C-N 3.33Å; V185-Q187 PolarHBondContact O-N 3.34Å; V185-R188 CarbonylContact O-C 3.6Å; V185-R188 WeakPolarHBondContact O-CA 3.43Å; V185-R188 WeakPolarHBondContact O-CB 3.39Å; V185-R188 PolarHBondContact O-N 2.96Å; V185-I189 HydrophobicContact CG1-CD1 3.48Å; V185-I189 VanDerWaalsContact CG1-CD1 3.48Å; V185-I189 HydrophobicContact CG1-CG1 4.03Å; V185-I189 PolarHBondContact O-N 3.39Å |
| 186 | L | 97.4 | Very high | 92.8 | Very high | 6 Ų | 6 | 26 Ų | 26 | 3% | 0.031 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -52.9 | -48.3 | 175.9 | -71.2 | 171.7 | 0 | 0 | 0 | 111.8 | L162 V165 L166 E182 R188 I189 G190 V269 K272 L273 | L162-L186 HydrophobicContact CD1-CD2 3.78Å; V165-L186 HydrophobicContact CG1-CD2 3.95Å; V165-L186 HydrophobicContact CG1-CG 4.13Å; L166-L186 HydrophobicContact CD2-CD2 4.19Å; E182-L186 HydrophobicContact CG-CD1 4.26Å; E182-L186 WeakPolarHBondContact O-CG 3.43Å; E182-L186 PolarHBondContact O-N 3.15Å; L186-R188 PolarHBondContact O-N 3.37Å; L186-I189 PolarHBondContact O-N 2.85Å; L186-G190 PolarHBondContact O-N 3.13Å; L186-V269 HydrophobicContact CB-CG1 4.41Å; L186-V269 WeakPolarHBondContact O-CG1 3.47Å; L186-K272 HydrophobicContact CD1-CB 3.92Å; L186-L273 HydrophobicContact CB-CD2 4.37Å |
| 187 | Q | 96.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67.8 | -12.8 | 175.4 | 52.6 | 106 | 88.2 | 0 | 0 | 115 | T183 K184 V185 L191 L273 | T183-Q187 WeakPolarHBondContact O-CG 3.44Å; T183-Q187 PolarHBondContact O-N 2.98Å; K184-Q187 VanDerWaalsContact NZ-CD 3.35Å; K184-Q187 VanDerWaalsContact O-CG 3.25Å; K184-Q187 WeakPolarHBondContact O-CG 3.34Å; K184-Q187 PolarHBondContact O-NE2 3.36Å; V185-Q187 VanDerWaalsContact C-N 3.33Å; V185-Q187 PolarHBondContact O-N 3.34Å; Q187-L191 VanDerWaalsContact O-CD1 3.26Å; Q187-L191 WeakPolarHBondContact O-CD1 3.36Å; Q187-L191 VanDerWaalsContact O-CG 3.3Å; Q187-L191 WeakPolarHBondContact O-CG 3.37Å; Q187-L273 HydrophobicContact CB-CD1 4.43Å; Q187-L273 HydrophobicContact CB-CD2 4.46Å |
| 188 | R | 96.6 | Very high | 91.7 | Very high | 38 Ų | 38 | 28.8 Ų | 28.8 | 14% | 0.143 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -88.2 | -46.4 | 170 | -67.8 | -58.8 | -178.6 | -169.5 | 1.5 | 111.4 | C146 K184 V185 L186 L191 L192 | C146-R188 HydrophobicContact CB-CB 3.6Å; C146-R188 HydrophobicContact CB-CG 4.29Å; K184-R188 WeakPolarHBondContact O-CG 3.15Å; K184-R188 PolarHBondContact O-N 2.98Å; V185-R188 CarbonylContact O-C 3.6Å; V185-R188 WeakPolarHBondContact O-CA 3.43Å; V185-R188 WeakPolarHBondContact O-CB 3.39Å; V185-R188 PolarHBondContact O-N 2.96Å; L186-R188 PolarHBondContact O-N 3.37Å; R188-L191 WeakPolarHBondContact O-CB 3.21Å; R188-L191 PolarHBondContact O-N 2.86Å; R188-L191 VanDerWaalsContact O-N 3.11Å; R188-L192 PolarHBondContact O-N 3.13Å |
| 189 | I | 96.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.5 | -45.5 | 177.6 | -65.4 | 175 | 0 | 0 | 0 | 110.5 | L161 L162 V165 V185 L186 L191 L192 F193 | L161-I189 HydrophobicContact CB-CD1 3.83Å; L162-I189 HydrophobicContact CB-CG2 3.98Å; L162-I189 HydrophobicContact CD1-CG2 4.33Å; V165-I189 HydrophobicContact CG2-CD1 4.19Å; V185-I189 HydrophobicContact CG1-CD1 3.48Å; V185-I189 VanDerWaalsContact CG1-CD1 3.48Å; V185-I189 HydrophobicContact CG1-CG1 4.03Å; V185-I189 PolarHBondContact O-N 3.39Å; L186-I189 PolarHBondContact O-N 2.85Å; I189-L191 PolarHBondContact O-N 3.28Å; I189-L191 VanDerWaalsContact O-N 3.15Å; I189-L192 WeakPolarHBondContact O-CA 3.31Å; I189-L192 WeakPolarHBondContact O-CB 3.49Å; I189-L192 PolarHBondContact O-N 3.04Å; I189-F193 HydrophobicContact CG2-CD2 4.24Å; I189-F193 HydrophobicContact CG2-CE2 3.51Å; I189-F193 HydrophobicContact CG2-CZ 4.05Å; I189-F193 WeakPolarHBondContact O-CD2 3.31Å; I189-F193 PolarHBondContact O-N 3.34Å |
| 190 | G | 95.4 | Very high | 90 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.4 | -31.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L186 C194 | L186-G190 PolarHBondContact O-N 3.13Å; G190-C194 PolarHBondContact O-N 3.45Å; G190-C194 PolarHBondContact O-SG 3.12Å |
| 191 | L | 94.7 | Very high | 89.7 | Confident | 17 Ų | 17 | 29.7 Ų | 29.7 | 9% | 0.089 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -78 | -16.4 | 173.4 | -66.5 | 172 | 0 | 0 | 0 | 113.1 | Q187 R188 I189 C194 R294 I295 R298 | Q187-L191 VanDerWaalsContact O-CD1 3.26Å; Q187-L191 WeakPolarHBondContact O-CD1 3.36Å; Q187-L191 VanDerWaalsContact O-CG 3.3Å; Q187-L191 WeakPolarHBondContact O-CG 3.37Å; R188-L191 WeakPolarHBondContact O-CB 3.21Å; R188-L191 PolarHBondContact O-N 2.86Å; R188-L191 VanDerWaalsContact O-N 3.11Å; I189-L191 PolarHBondContact O-N 3.28Å; I189-L191 VanDerWaalsContact O-N 3.15Å; L191-C194 VanDerWaalsContact O-O 3.11Å; L191-R294 HydrophobicContact CD1-CB 4.2Å; L191-R294 HydrophobicContact CD2-CB 4.09Å; L191-I295 HydrophobicContact CD2-CG1 4.02Å; L191-I295 HydrophobicContact CG-CG1 4.23Å; L191-R298 PolarHBondContact O-NH1 3.39Å |
| 192 | L | 94.9 | Very high | 89.3 | Confident | 8 Ų | 8 | 31.4 Ų | 31.4 | 4% | 0.042 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -73.1 | -42.4 | 169.7 | -65.3 | 176.5 | 0 | 0 | 0 | 110 | C146 R151 L154 A158 R188 I189 C194 | C146-L192 HydrophobicContact CB-CD1 4.31Å; R151-L192 HydrophobicContact CG-CD2 4.49Å; R151-L192 PolarHBondContact NE-O 3.42Å; R151-L192 PolarHBondContact NH2-O 2.95Å; L154-L192 HydrophobicContact CB-CD1 3.92Å; L154-L192 HydrophobicContact CB-CD2 3.92Å; L154-L192 HydrophobicContact CD1-CD2 4.3Å; A158-L192 HydrophobicContact CB-CB 4.09Å; A158-L192 HydrophobicContact CB-CD1 4.17Å; R188-L192 PolarHBondContact O-N 3.13Å; I189-L192 WeakPolarHBondContact O-CA 3.31Å; I189-L192 WeakPolarHBondContact O-CB 3.49Å; I189-L192 PolarHBondContact O-N 3.04Å; L192-C194 PolarHBondContact O-N 3.47Å |
| 193 | F | 94.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.2 | -41.7 | 176.4 | -62.3 | -51.7 | 0 | 0 | 0 | 112.7 | R151 L155 A158 L162 I189 P195 N262 E265 V266 | R151-F193 PolarHBondContact NH2-O 3.28Å; R151-F193 VanDerWaalsContact NH2-O 3.08Å; L155-F193 HydrophobicContact CD1-CD1 4.1Å; A158-F193 VanDerWaalsContact C-CZ 3.5Å; A158-F193 HydrophobicContact CB-CD1 4.1Å; A158-F193 HydrophobicContact CB-CE1 3.44Å; A158-F193 VanDerWaalsContact CB-CE1 3.44Å; A158-F193 HydrophobicContact CB-CE2 4.47Å; A158-F193 HydrophobicContact CB-CZ 3.66Å; L162-F193 HydrophobicContact CB-CE2 4.38Å; L162-F193 HydrophobicContact CB-CZ 4.38Å; L162-F193 HydrophobicContact CD2-CE2 3.91Å; L162-F193 HydrophobicContact CD2-CZ 4.33Å; I189-F193 HydrophobicContact CG2-CD2 4.24Å; I189-F193 HydrophobicContact CG2-CE2 3.51Å; I189-F193 HydrophobicContact CG2-CZ 4.05Å; I189-F193 WeakPolarHBondContact O-CD2 3.31Å; I189-F193 PolarHBondContact O-N 3.34Å; F193-P195 VanDerWaalsContact O-CD 3.28Å; F193-P195 WeakPolarHBondContact O-CD 3.32Å; F193-N262 HydrophobicContact CB-CB 3.82Å; F193-N262 HydrophobicContact CD1-CB 3.52Å; F193-N262 HydrophobicContact CE1-CB 4.33Å; F193-N262 HydrophobicContact CG-CB 3.87Å; F193-E265 HydrophobicContact CD1-CB 4.48Å; F193-E265 HydrophobicContact CD2-CB 3.8Å; F193-E265 HydrophobicContact CE1-CB 4.26Å; F193-E265 HydrophobicContact CE1-CG 4.35Å; F193-E265 HydrophobicContact CE2-CB 3.56Å; F193-E265 HydrophobicContact CE2-CG 4.3Å; F193-E265 HydrophobicContact CG-CB 4.27Å; F193-E265 HydrophobicContact CZ-CB 3.81Å; F193-E265 HydrophobicContact CZ-CG 4.04Å; F193-V266 HydrophobicContact CB-CG2 3.48Å; F193-V266 VanDerWaalsContact CB-CG2 3.48Å; F193-V266 HydrophobicContact CD2-CG2 4.38Å; F193-V266 HydrophobicContact CG-CG2 4.33Å |
| 194 | C | 90.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -79.6 | 113.2 | -180 | -59.2 | 0 | 0 | 0 | 0 | 112.1 | G190 L191 L192 V266 R298 | G190-C194 PolarHBondContact O-N 3.45Å; G190-C194 PolarHBondContact O-SG 3.12Å; L191-C194 VanDerWaalsContact O-O 3.11Å; L192-C194 PolarHBondContact O-N 3.47Å; C194-V266 VanDerWaalsContact SG-CG2 3.59Å; C194-R298 HydrophobicContact CB-CB 3.64Å; C194-R298 HydrophobicContact CB-CG 4.27Å; C194-R298 WeakPolarHBondContact O-CD 3.37Å; C194-R298 PolarHBondContact O-NH1 3.26Å |
| 195 | P | 86.5 | Confident | 86.3 | Confident | 24 Ų | 24 | 39.7 Ų | 39.7 | 16% | 0.156 | 20% | 0.2 | C | C | . | . | trans | -61.7 | 149.6 | 172.2 | 27.3 | -33.1 | 0 | 0 | 0 | 111.1 | F193 I197 | F193-P195 VanDerWaalsContact O-CD 3.28Å; F193-P195 WeakPolarHBondContact O-CD 3.32Å; P195-I197 HydrophobicContact CG-CG2 4.48Å; P195-I197 PolarHBondContact O-N 3.03Å | ||
| 196 | P | 82.3 | Confident | 84.4 | Confident | 90 Ų | 90 | 41.8 Ų | 41.8 | 58% | 0.584 | 22% | 0.221 | S | C | * | . | trans | -60.5 | 127.2 | 168.6 | -15.3 | 28.9 | 0 | 0 | 0 | 109.2 | ||||
| 197 | I | 80.2 | Confident | 82.2 | Confident | 49 Ų | 49 | 43.2 Ų | 43.2 | 25% | 0.251 | 23% | 0.231 | S | C | . | . | trans | -127.9 | 144.4 | 176.2 | 55.2 | 166.9 | 0 | 0 | 0 | 109.5 | P195 T199 R298 | P195-I197 HydrophobicContact CG-CG2 4.48Å; P195-I197 PolarHBondContact O-N 3.03Å; I197-T199 HydrophobicContact CD1-CG2 3.27Å; I197-T199 HydrophobicContact CG1-CG2 3.77Å; I197-R298 WeakPolarHBondContact CD1-O 3.48Å; I197-R298 HydrophobicContact CG1-CB 4.28Å | ||
| 198 | N | 69.3 | Low | 80.1 | Confident | 159 Ų | 159 | 49.1 Ų | 49.1 | 85% | 0.85 | 25% | 0.254 | S | S | * | . | trans | -90.5 | 108.2 | 165.8 | -161.7 | -1.6 | 0 | 0 | 0 | 107.5 | ||||
| 199 | T | 70.6 | Confident | 78.1 | Confident | 11 Ų | 11 | 49.3 Ų | 49.3 | 7% | 0.067 | 26% | 0.261 | C | S | . | . | trans | -92.3 | 110.4 | -172.5 | 33.6 | 0 | 0 | 0 | 0 | 110.1 | I197 W201 Q202 | I197-T199 HydrophobicContact CD1-CG2 3.27Å; I197-T199 HydrophobicContact CG1-CG2 3.77Å; T199-W201 VanDerWaalsContact C-N 3.27Å; T199-W201 VanDerWaalsContact CG2-NE1 3.28Å; T199-W201 PolarHBondContact O-N 2.97Å; T199-Q202 VanDerWaalsContact OG1-CG 3.24Å; T199-Q202 WeakPolarHBondContact OG1-CG 3.4Å; T199-Q202 PolarHBondContact OG1-NE2 3.08Å | ||
| 200 | T | 75.7 | Confident | 76.3 | Confident | 73 Ų | 73 | 55.5 Ų | 55.5 | 45% | 0.448 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -24.4 | 175.4 | 51.9 | 0 | 0 | 0 | 0 | 113 | Q202 C252 | T200-Q202 VanDerWaalsContact C-N 3.3Å; T200-Q202 PolarHBondContact O-N 2.85Å; T200-C252 WeakPolarHBondContact CG2-SG 3.46Å |
| 201 | W | 85 | Confident | 74.5 | Confident | 52 Ų | 52 | 61.4 Ų | 61.4 | 20% | 0.197 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -17.8 | -179 | 71.3 | -99.5 | 0 | 0 | 0 | 113.3 | T199 L299 V304 L339 L341 | T199-W201 VanDerWaalsContact C-N 3.27Å; T199-W201 VanDerWaalsContact CG2-NE1 3.28Å; T199-W201 PolarHBondContact O-N 2.97Å; W201-L299 WeakPolarHBondContact CZ2-O 3.1Å; W201-L299 PolarHBondContact NE1-O 3.19Å; W201-L299 VanDerWaalsContact NE1-O 3.15Å; W201-V304 HydrophobicContact CH2-CB 3.96Å; W201-V304 HydrophobicContact CH2-CG1 4.08Å; W201-V304 HydrophobicContact CH2-CG2 3.73Å; W201-V304 HydrophobicContact CZ2-CB 4.43Å; W201-V304 HydrophobicContact CZ2-CG2 3.8Å; W201-L339 HydrophobicContact CH2-CB 4.28Å; W201-L339 HydrophobicContact CH2-CD2 3.84Å; W201-L339 HydrophobicContact CZ2-CD2 4.16Å; W201-L339 WeakPolarHBondContact CZ3-O 3.37Å; W201-L341 HydrophobicContact CE3-CD1 4.39Å; W201-L341 HydrophobicContact CE3-CD2 4.09Å; W201-L341 HydrophobicContact CE3-CG 4.39Å; W201-L341 HydrophobicContact CZ3-CD2 4.29Å; W201-L341 HydrophobicContact CZ3-CG 4.38Å; W201-L341 WeakPolarHBondContact O-CD2 3.43Å |
| 202 | Q | 83.9 | Confident | 72.8 | Confident | 49 Ų | 49 | 62.7 Ų | 62.7 | 23% | 0.229 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -57.6 | 145.2 | 177.4 | -81 | -176.9 | 10 | 0 | 0 | 110.4 | T199 T200 Q204 L339 | T199-Q202 VanDerWaalsContact OG1-CG 3.24Å; T199-Q202 WeakPolarHBondContact OG1-CG 3.4Å; T199-Q202 PolarHBondContact OG1-NE2 3.08Å; T200-Q202 VanDerWaalsContact C-N 3.3Å; T200-Q202 PolarHBondContact O-N 2.85Å; Q202-Q204 PolarHBondContact O-N 3.33Å; Q202-Q204 VanDerWaalsContact O-N 3.15Å; Q202-L339 HydrophobicContact CG-CD2 3.93Å |
| 203 | Y | 84.3 | Confident | 71.1 | Confident | 27 Ų | 27 | 65.2 Ų | 65.2 | 11% | 0.106 | 34% | 0.34 | C | S | . | . | trans | -64.2 | 120 | 178.2 | 178.7 | -99 | 0 | 0 | 0 | 110.8 | R205 N338 P342 A385 Y386 H387 D390 | Y203-R205 HydrophobicContact CE1-CB 3.98Å; Y203-R205 HydrophobicContact CE1-CG 4.4Å; Y203-N338 PolarHBondContact N-O 3.02Å; Y203-N338 WeakPolarHBondContact O-CB 3.28Å; Y203-N338 PolarHBondContact O-ND2 2.87Å; Y203-N338 VanDerWaalsContact O-ND2 3.15Å; Y203-P342 VanDerWaalsContact CD2-CD 3.49Å; Y203-P342 HydrophobicContact CD2-CG 3.48Å; Y203-P342 VanDerWaalsContact CD2-CG 3.48Å; Y203-P342 HydrophobicContact CE2-CG 3.41Å; Y203-P342 VanDerWaalsContact CE2-CG 3.41Å; Y203-P342 HydrophobicContact CG-CG 4.38Å; Y203-A385 WeakPolarHBondContact CE1-O 3.3Å; Y203-Y386 HydrophobicContact CD1-CD1 4.3Å; Y203-Y386 HydrophobicContact CE1-CD1 4.2Å; Y203-H387 WeakPolarHBondContact OH-CA 3.19Å; Y203-H387 WeakPolarHBondContact OH-CB 3.36Å; Y203-H387 PolarHBondContact OH-N 3.14Å; Y203-D390 VanDerWaalsContact CE2-OD2 3.31Å; Y203-D390 WeakPolarHBondContact CE2-OD2 3.43Å; Y203-D390 VanDerWaalsContact CZ-OD2 3.28Å; Y203-D390 PolarHBondContact OH-OD2 2.94Å | ||
| 204 | Q | 76.2 | Confident | 69.7 | Low | 146 Ų | 146 | 69.2 Ų | 69.2 | 68% | 0.682 | 36% | 0.361 | S | S | * | . | trans | -101 | 112 | 178.6 | -62.3 | -170.2 | 0.6 | 0 | 0 | 109.4 | Q202 G206 | Q202-Q204 PolarHBondContact O-N 3.33Å; Q202-Q204 VanDerWaalsContact O-N 3.15Å; Q204-G206 PolarHBondContact O-N 3.47Å | ||
| 205 | R | 63.7 | Low | 68.7 | Low | 85 Ų | 85 | 73.4 Ų | 73.4 | 32% | 0.321 | 38% | 0.38 | S | S | . | . | trans | -77.9 | -2.4 | -178.1 | -170 | 175.2 | 168.3 | -177.4 | 2.1 | 113.8 | Y203 A383 R384 A385 Y386 | Y203-R205 HydrophobicContact CE1-CB 3.98Å; Y203-R205 HydrophobicContact CE1-CG 4.4Å; R205-A383 PolarHBondContact NH1-O 3.2Å; R205-R384 PolarHBondContact NH1-O 2.73Å; R205-A385 WeakPolarHBondContact CD-O 3.25Å; R205-Y386 WeakPolarHBondContact CD-O 3.28Å; R205-Y386 PolarHBondContact NE-O 2.89Å | ||
| 206 | G | 56.6 | Low | 67.6 | Low | 43 Ų | 43 | 75.1 Ų | 75.1 | 44% | 0.443 | 39% | 0.393 | S | S | . | . | S | Bend | trans | 68.8 | 163.7 | -162.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q204 R208 | Q204-G206 PolarHBondContact O-N 3.47Å; G206-R208 PolarHBondContact O-N 3.46Å |
| 207 | S | 51.2 | Low | 66.6 | Low | 36 Ų | 36 | 76.2 Ų | 76.2 | 25% | 0.252 | 39% | 0.393 | S | S | . | . | trans | -28 | 115.9 | -168.3 | 39.4 | 0 | 0 | 0 | 0 | 117.2 | E212 N213 | S207-E212 WeakPolarHBondContact CB-OE2 3.39Å; S207-N213 WeakPolarHBondContact CB-OD1 3.46Å; S207-N213 PolarHBondContact OG-OD1 2.94Å | ||
| 208 | R | 53.7 | Low | 65.8 | Low | 125 Ų | 125 | 79.3 Ų | 79.3 | 47% | 0.472 | 41% | 0.41 | S | S | . | . | trans | -88.2 | -11 | 172.5 | -73.1 | -176.2 | 170.2 | 173 | -1.3 | 113.4 | G206 F240 N338 | G206-R208 PolarHBondContact O-N 3.46Å; R208-F240 HydrophobicContact CB-CD2 4.33Å; R208-F240 HydrophobicContact CB-CE2 4Å; R208-N338 PolarHBondContact NH2-ND2 2.75Å; R208-N338 PolarHBondContact NH2-OD1 2.96Å | ||
| 209 | S | 55.1 | Low | 65.2 | Low | 41 Ų | 41 | 79 Ų | 79 | 29% | 0.287 | 41% | 0.405 | S | S | . | . | trans | -87.4 | 119.2 | -177.3 | -179.1 | 0 | 0 | 0 | 0 | 109.9 | Q211 E212 N213 | S209-Q211 PolarHBondContact O-N 3.13Å; S209-Q211 WeakPolarHBondContact OG-CB 3.41Å; S209-Q211 PolarHBondContact OG-N 3.4Å; S209-Q211 VanDerWaalsContact OG-N 3.14Å; S209-E212 PolarHBondContact O-N 2.94Å; S209-E212 PolarHBondContact OG-N 2.98Å; S209-E212 VanDerWaalsContact OG-N 3.15Å; S209-N213 PolarHBondContact O-N 2.87Å; S209-N213 PolarHBondContact O-ND2 3.22Å | ||
| 210 | L | 56.7 | Low | 64.2 | Low | 130 Ų | 130 | 84.5 Ų | 84.5 | 68% | 0.681 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -54.7 | -34.1 | 166.1 | -170.6 | 76.2 | 0 | 0 | 0 | 110 | N213 L214 | L210-N213 PolarHBondContact O-N 2.66Å; L210-L214 HydrophobicContact CD2-CD1 4.04Å; L210-L214 HydrophobicContact CG-CD1 3.78Å; L210-L214 HydrophobicContact CG-CG 4.32Å; L210-L214 VanDerWaalsContact O-CB 3.23Å; L210-L214 WeakPolarHBondContact O-CB 3.41Å; L210-L214 VanDerWaalsContact O-CG 3.24Å; L210-L214 WeakPolarHBondContact O-CG 3.37Å; L210-L214 PolarHBondContact O-N 3.42Å |
| 211 | Q | 59.5 | Low | 62.6 | Low | 125 Ų | 125 | 88.6 Ų | 88.6 | 58% | 0.584 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -67.7 | -42.9 | 177 | -178 | 170 | -11 | 0 | 0 | 112.4 | S209 N213 L214 E215 | S209-Q211 PolarHBondContact O-N 3.13Å; S209-Q211 WeakPolarHBondContact OG-CB 3.41Å; S209-Q211 PolarHBondContact OG-N 3.4Å; S209-Q211 VanDerWaalsContact OG-N 3.14Å; Q211-N213 VanDerWaalsContact C-N 3.32Å; Q211-N213 PolarHBondContact O-N 3.17Å; Q211-L214 PolarHBondContact O-N 2.84Å; Q211-E215 HydrophobicContact CG-CG 4.26Å; Q211-E215 VanDerWaalsContact CG-OE1 3.28Å; Q211-E215 WeakPolarHBondContact CG-OE1 3.4Å; Q211-E215 PolarHBondContact NE2-OE1 2.93Å; Q211-E215 VanDerWaalsContact O-CB 3.24Å; Q211-E215 WeakPolarHBondContact O-CB 3.24Å; Q211-E215 VanDerWaalsContact O-CG 3.27Å; Q211-E215 WeakPolarHBondContact O-CG 3.15Å; Q211-E215 PolarHBondContact O-N 3.19Å |
| 212 | E | 57.5 | Low | 60.6 | Low | 43 Ų | 43 | 93.4 Ų | 93.4 | 20% | 0.201 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -65.3 | -37.8 | 174 | -68.7 | 167.3 | 176.7 | 0 | 0 | 111.3 | S207 S209 S216 T238 | S207-E212 WeakPolarHBondContact CB-OE2 3.39Å; S209-E212 PolarHBondContact O-N 2.94Å; S209-E212 PolarHBondContact OG-N 2.98Å; S209-E212 VanDerWaalsContact OG-N 3.15Å; E212-S216 WeakPolarHBondContact O-CB 3.42Å; E212-S216 PolarHBondContact O-N 3.06Å; E212-S216 PolarHBondContact O-OG 3.12Å; E212-T238 PolarHBondContact OE1-OG1 3.25Å |
| 213 | N | 59.9 | Low | 58.4 | Low | 62 Ų | 62 | 99.5 Ų | 99.5 | 33% | 0.332 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.4 | -37.8 | 176.4 | -68.5 | -25.4 | 0 | 0 | 0 | 111.8 | S207 S209 L210 Q211 S216 L217 | S207-N213 WeakPolarHBondContact CB-OD1 3.46Å; S207-N213 PolarHBondContact OG-OD1 2.94Å; S209-N213 PolarHBondContact O-N 2.87Å; S209-N213 PolarHBondContact O-ND2 3.22Å; L210-N213 PolarHBondContact O-N 2.66Å; Q211-N213 VanDerWaalsContact C-N 3.32Å; Q211-N213 PolarHBondContact O-N 3.17Å; N213-S216 PolarHBondContact O-OG 3.47Å; N213-L217 WeakPolarHBondContact O-CB 3.45Å; N213-L217 WeakPolarHBondContact O-CD1 3.43Å; N213-L217 VanDerWaalsContact O-CG 3.29Å; N213-L217 WeakPolarHBondContact O-CG 3.41Å; N213-L217 PolarHBondContact O-N 2.99Å |
| 214 | L | 65.7 | Low | 56 | Low | 83 Ų | 83 | 106.7 Ų | 106.7 | 44% | 0.435 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -73.2 | -42.8 | 175 | -79.1 | 165.7 | 0 | 0 | 0 | 111.4 | L210 Q211 L217 L218 | L210-L214 HydrophobicContact CD2-CD1 4.04Å; L210-L214 HydrophobicContact CG-CD1 3.78Å; L210-L214 HydrophobicContact CG-CG 4.32Å; L210-L214 VanDerWaalsContact O-CB 3.23Å; L210-L214 WeakPolarHBondContact O-CB 3.41Å; L210-L214 VanDerWaalsContact O-CG 3.24Å; L210-L214 WeakPolarHBondContact O-CG 3.37Å; L210-L214 PolarHBondContact O-N 3.42Å; Q211-L214 PolarHBondContact O-N 2.84Å; L214-L217 CarbonylContact O-C 3.53Å; L214-L217 PolarHBondContact O-N 3.02Å; L214-L218 HydrophobicContact CB-CD1 4.33Å; L214-L218 WeakPolarHBondContact O-CB 3.28Å; L214-L218 WeakPolarHBondContact O-CD1 3.24Å; L214-L218 WeakPolarHBondContact O-CG 3.36Å; L214-L218 PolarHBondContact O-N 3.24Å |
| 215 | E | 68.8 | Low | 53.8 | Low | 88 Ų | 88 | 103.9 Ų | 103.9 | 41% | 0.411 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 177.5 | -79.3 | 172.3 | -172.6 | 0 | 0 | 111 | Q211 L217 L218 M219 | Q211-E215 HydrophobicContact CG-CG 4.26Å; Q211-E215 VanDerWaalsContact CG-OE1 3.28Å; Q211-E215 WeakPolarHBondContact CG-OE1 3.4Å; Q211-E215 PolarHBondContact NE2-OE1 2.93Å; Q211-E215 VanDerWaalsContact O-CB 3.24Å; Q211-E215 WeakPolarHBondContact O-CB 3.24Å; Q211-E215 VanDerWaalsContact O-CG 3.27Å; Q211-E215 WeakPolarHBondContact O-CG 3.15Å; Q211-E215 PolarHBondContact O-N 3.19Å; E215-L217 VanDerWaalsContact C-N 3.33Å; E215-L217 PolarHBondContact O-N 2.86Å; E215-L218 PolarHBondContact O-N 3.41Å; E215-M219 VanDerWaalsContact O-CB 3.28Å; E215-M219 WeakPolarHBondContact O-CB 3.41Å; E215-M219 VanDerWaalsContact O-CG 3.29Å; E215-M219 WeakPolarHBondContact O-CG 3.18Å; E215-M219 PolarHBondContact O-N 3.49Å |
| 216 | S | 62.6 | Low | 52.3 | Low | 61 Ų | 61 | 106 Ų | 106 | 43% | 0.427 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.3 | -34.4 | 174.3 | 59.3 | 0 | 0 | 0 | 0 | 113 | E212 N213 N220 | E212-S216 WeakPolarHBondContact O-CB 3.42Å; E212-S216 PolarHBondContact O-N 3.06Å; E212-S216 PolarHBondContact O-OG 3.12Å; N213-S216 PolarHBondContact O-OG 3.47Å; S216-N220 WeakPolarHBondContact O-CB 3.24Å; S216-N220 PolarHBondContact O-N 3.31Å; S216-N220 PolarHBondContact O-ND2 2.94Å |
| 217 | L | 61.5 | Low | 51 | Low | 112 Ų | 112 | 109.5 Ų | 109.5 | 59% | 0.586 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -73.1 | -40.5 | 173.2 | -75.5 | 166.7 | 0 | 0 | 0 | 112.7 | N213 L214 E215 N220 H221 | N213-L217 WeakPolarHBondContact O-CB 3.45Å; N213-L217 WeakPolarHBondContact O-CD1 3.43Å; N213-L217 VanDerWaalsContact O-CG 3.29Å; N213-L217 WeakPolarHBondContact O-CG 3.41Å; N213-L217 PolarHBondContact O-N 2.99Å; L214-L217 CarbonylContact O-C 3.53Å; L214-L217 PolarHBondContact O-N 3.02Å; E215-L217 VanDerWaalsContact C-N 3.33Å; E215-L217 PolarHBondContact O-N 2.86Å; L217-N220 PolarHBondContact O-N 3.05Å; L217-H221 PolarHBondContact O-N 3.4Å |
| 218 | L | 63.3 | Low | 49.9 | Very low | 115 Ų | 115 | 112.7 Ų | 112.7 | 60% | 0.602 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -70.9 | -40.1 | -179.2 | -73.4 | 164.8 | 0 | 0 | 0 | 111.3 | L214 E215 N220 H221 | L214-L218 HydrophobicContact CB-CD1 4.33Å; L214-L218 WeakPolarHBondContact O-CB 3.28Å; L214-L218 WeakPolarHBondContact O-CD1 3.24Å; L214-L218 WeakPolarHBondContact O-CG 3.36Å; L214-L218 PolarHBondContact O-N 3.24Å; E215-L218 PolarHBondContact O-N 3.41Å; L218-N220 PolarHBondContact O-N 2.75Å; L218-H221 PolarHBondContact O-N 2.96Å |
| 219 | M | 58.3 | Low | 48.7 | Very low | 153 Ų | 153 | 111.2 Ų | 111.2 | 75% | 0.754 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -66.5 | -25.3 | 173.7 | -74.1 | -166.3 | 173.7 | 0 | 0 | 112.6 | E215 H221 | E215-M219 VanDerWaalsContact O-CB 3.28Å; E215-M219 WeakPolarHBondContact O-CB 3.41Å; E215-M219 VanDerWaalsContact O-CG 3.29Å; E215-M219 WeakPolarHBondContact O-CG 3.18Å; E215-M219 PolarHBondContact O-N 3.49Å; M219-H221 VanDerWaalsContact C-N 3.34Å |
| 220 | N | 48.4 | Very low | 47.3 | Very low | 125 Ų | 125 | 117.9 Ų | 117.9 | 67% | 0.668 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -81.9 | -8 | 175.9 | -76.5 | -23.6 | 0 | 0 | 0 | 113.8 | S216 L217 L218 | S216-N220 WeakPolarHBondContact O-CB 3.24Å; S216-N220 PolarHBondContact O-N 3.31Å; S216-N220 PolarHBondContact O-ND2 2.94Å; L217-N220 PolarHBondContact O-N 3.05Å; L218-N220 PolarHBondContact O-N 2.75Å |
| 221 | H | 43.1 | Very low | 45.9 | Very low | 159 Ų | 159 | 118 Ų | 118 | 74% | 0.736 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -80.8 | -15.1 | 179.3 | -104.5 | -75.3 | 0 | 0 | 0 | 114.5 | L217 L218 M219 K223 | L217-H221 PolarHBondContact O-N 3.4Å; L218-H221 PolarHBondContact O-N 2.96Å; M219-H221 VanDerWaalsContact C-N 3.34Å; H221-K223 VanDerWaalsContact C-N 3.32Å; H221-K223 PolarHBondContact O-N 3.19Å |
| 222 | D | 42.7 | Very low | 44.3 | Very low | 154 Ų | 154 | 117.5 Ų | 117.5 | 82% | 0.824 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -87.4 | 12 | -178.7 | -90.9 | -19.2 | 0 | 0 | 0 | 114.9 | ||
| 223 | K | 38.4 | Very low | 42.9 | Very low | 177 Ų | 177 | 122.6 Ų | 122.6 | 77% | 0.77 | 68% | 0.681 | S | S | * | * | trans | -131.2 | 99.9 | 173 | -72 | -174.4 | -179.8 | 173.9 | 0 | 112.7 | H221 S225 | H221-K223 VanDerWaalsContact C-N 3.32Å; H221-K223 PolarHBondContact O-N 3.19Å; K223-S225 VanDerWaalsContact C-N 3.33Å; K223-S225 PolarHBondContact O-N 3.41Å | ||
| 224 | N | 32.5 | Very low | 41.3 | Very low | 178 Ų | 178 | 126.5 Ų | 126.5 | 95% | 0.952 | 70% | 0.697 | S | S | * | * | trans | -47.2 | 92.1 | 154.9 | -81.6 | -25.8 | 0 | 0 | 0 | 111 | ||||
| 225 | S | 31.2 | Very low | 39.5 | Very low | 86 Ų | 86 | 128.3 Ų | 128.3 | 60% | 0.601 | 72% | 0.716 | S | S | * | * | trans | -167.7 | 116.6 | 153.5 | 52.1 | 0 | 0 | 0 | 0 | 109.3 | K223 V227 | K223-S225 VanDerWaalsContact C-N 3.33Å; K223-S225 PolarHBondContact O-N 3.41Å; S225-V227 PolarHBondContact O-N 3.17Å | ||
| 226 | S | 31.6 | Very low | 37.4 | Very low | 129 Ų | 129 | 129 Ų | 129 | 90% | 0.902 | 73% | 0.731 | S | S | * | * | trans | -53.5 | 91.7 | 166.8 | 49.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 227 | V | 29.9 | Very low | 35.7 | Very low | 117 Ų | 117 | 133.1 Ų | 133.1 | 71% | 0.709 | 74% | 0.738 | S | S | * | * | trans | -141.1 | 114.7 | 163.4 | -173.2 | 0 | 0 | 0 | 0 | 108.3 | S225 A229 | S225-V227 PolarHBondContact O-N 3.17Å; V227-A229 PolarHBondContact O-N 3.49Å | ||
| 228 | S | 27.3 | Very low | 34 | Very low | 103 Ų | 103 | 132.7 Ų | 132.7 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | trans | -26.8 | 123.3 | 163.9 | 170.6 | 0 | 0 | 0 | 0 | 112.3 | K230 | S228-K230 VanDerWaalsContact C-N 3.29Å; S228-K230 PolarHBondContact O-N 2.91Å | ||
| 229 | A | 28.9 | Very low | 32.3 | Very low | 94 Ų | 94 | 131.8 Ų | 131.8 | 78% | 0.777 | 74% | 0.744 | S | S | * | * | trans | -57.5 | 87.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | V227 V231 | V227-A229 PolarHBondContact O-N 3.49Å; A229-V231 PolarHBondContact O-N 2.9Å | ||
| 230 | K | 25.1 | Very low | 30.8 | Very low | 181 Ų | 181 | 132.1 Ų | 132.1 | 79% | 0.787 | 74% | 0.741 | S | S | * | * | trans | -75.9 | 104.6 | 160.5 | -78.8 | -175.3 | 176.6 | 179.8 | 0 | 106.6 | S228 T232 | S228-K230 VanDerWaalsContact C-N 3.29Å; S228-K230 PolarHBondContact O-N 2.91Å; K230-T232 VanDerWaalsContact C-N 3.35Å; K230-T232 PolarHBondContact O-N 3.36Å | ||
| 231 | V | 27.9 | Very low | 29.6 | Very low | 134 Ų | 134 | 134 Ų | 134 | 81% | 0.812 | 75% | 0.746 | S | S | * | * | trans | -57.3 | 97.5 | 167.9 | -179.8 | 0 | 0 | 0 | 0 | 107.4 | A229 | A229-V231 PolarHBondContact O-N 2.9Š| ||
| 232 | T | 25.2 | Very low | 28.9 | Very low | 113 Ų | 113 | 133 Ų | 133 | 69% | 0.693 | 75% | 0.746 | S | S | * | * | trans | -90 | 122.2 | 168.3 | 29.8 | 0 | 0 | 0 | 0 | 109.2 | K230 H234 | K230-T232 VanDerWaalsContact C-N 3.35Å; K230-T232 PolarHBondContact O-N 3.36Å; T232-H234 PolarHBondContact O-N 3.05Å; T232-H234 VanDerWaalsContact O-N 3.14Å | ||
| 233 | D | 27.7 | Very low | 28 | Very low | 151 Ų | 151 | 133.1 Ų | 133.1 | 81% | 0.807 | 75% | 0.747 | S | S | * | * | trans | -53 | 105.7 | 176.2 | -69.3 | -45.9 | 0 | 0 | 0 | 111.8 | ||||
| 234 | H | 26.9 | Very low | 27.6 | Very low | 144 Ų | 144 | 131.3 Ų | 131.3 | 67% | 0.667 | 74% | 0.744 | S | S | * | * | trans | -123.2 | 110.3 | 159.4 | -81 | -60 | 0 | 0 | 0 | 110 | T232 S236 Y237 | T232-H234 PolarHBondContact O-N 3.05Å; T232-H234 VanDerWaalsContact O-N 3.14Å; H234-S236 PolarHBondContact O-N 3.41Å; H234-Y237 VanDerWaalsContact O-CE2 3.24Å; H234-Y237 WeakPolarHBondContact O-CE2 3.46Å | ||
| 235 | S | 27.7 | Very low | 27.3 | Very low | 120 Ų | 120 | 127.9 Ų | 127.9 | 84% | 0.839 | 73% | 0.734 | S | S | * | * | trans | -73.8 | 90.5 | 179 | 52.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 236 | S | 24.7 | Very low | 27.1 | Very low | 103 Ų | 103 | 129.2 Ų | 129.2 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | trans | -165.5 | 86 | 159.9 | 54.6 | 0 | 0 | 0 | 0 | 109.4 | H234 | H234-S236 PolarHBondContact O-N 3.41Š| ||
| 237 | Y | 27.1 | Very low | 27 | Very low | 148 Ų | 148 | 129.9 Ų | 129.9 | 58% | 0.58 | 74% | 0.737 | S | S | * | * | trans | -121.4 | 120.2 | -179.1 | -71.2 | -78.5 | 0 | 0 | 0 | 111.5 | H234 | H234-Y237 VanDerWaalsContact O-CE2 3.24Å; H234-Y237 WeakPolarHBondContact O-CE2 3.46Å | ||
| 238 | T | 25.8 | Very low | 27.1 | Very low | 102 Ų | 102 | 132.2 Ų | 132.2 | 63% | 0.626 | 74% | 0.744 | S | S | * | * | trans | -74.5 | 119.2 | -174.1 | 15.9 | 0 | 0 | 0 | 0 | 112.2 | E212 | E212-T238 PolarHBondContact OE1-OG1 3.25Š| ||
| 239 | S | 27.9 | Very low | 27 | Very low | 97 Ų | 97 | 133.5 Ų | 133.5 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | trans | -64.6 | 148.2 | 171.9 | 52.8 | 0 | 0 | 0 | 0 | 111.8 | Q241 | S239-Q241 PolarHBondContact O-N 3.31Š| ||
| 240 | F | 26 | Very low | 27 | Very low | 160 Ų | 160 | 132 Ų | 132 | 70% | 0.702 | 75% | 0.746 | S | S | * | * | trans | -38.8 | 107 | 164.2 | -104.4 | -98.7 | 0 | 0 | 0 | 110.3 | R208 N242 | R208-F240 HydrophobicContact CB-CD2 4.33Å; R208-F240 HydrophobicContact CB-CE2 4Å; F240-N242 VanDerWaalsContact C-N 3.34Å; F240-N242 PolarHBondContact O-N 2.84Å | ||
| 241 | Q | 25 | Very low | 27.2 | Very low | 165 Ų | 165 | 131 Ų | 131 | 77% | 0.771 | 75% | 0.75 | S | S | * | * | trans | -60.6 | 95.6 | 174.9 | -75.8 | 176.1 | -20.8 | 0 | 0 | 108.7 | S239 | S239-Q241 PolarHBondContact O-N 3.31Š| ||
| 242 | N | 27.2 | Very low | 27.3 | Very low | 138 Ų | 138 | 129.9 Ų | 129.9 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | trans | -67.8 | 120.1 | 135.4 | -78.1 | -32.5 | 0 | 0 | 0 | 104.7 | F240 I244 | F240-N242 VanDerWaalsContact C-N 3.34Å; F240-N242 PolarHBondContact O-N 2.84Å; N242-I244 HydrophobicContact CB-CG1 4.44Å; N242-I244 PolarHBondContact O-N 3.15Å | ||
| 243 | N | 24.2 | Very low | 27.6 | Very low | 156 Ų | 156 | 129.2 Ų | 129.2 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | trans | -52.8 | 91 | 168.6 | -73.1 | -14.6 | 0 | 0 | 0 | 109.1 | ||||
| 244 | I | 29.1 | Very low | 27.8 | Very low | 139 Ų | 139 | 128.9 Ų | 128.9 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | trans | -123.3 | 117.2 | 164.6 | -61.4 | 178.4 | 0 | 0 | 0 | 103.2 | N242 | N242-I244 HydrophobicContact CB-CG1 4.44Å; N242-I244 PolarHBondContact O-N 3.15Å | ||
| 245 | S | 27.3 | Very low | 28.3 | Very low | 106 Ų | 106 | 128 Ų | 128 | 74% | 0.741 | 75% | 0.749 | S | S | * | * | trans | -44.6 | 139 | -169.5 | -41.8 | 0 | 0 | 0 | 0 | 113 | D247 | S245-D247 VanDerWaalsContact C-N 3.34Å; S245-D247 PolarHBondContact O-N 3.18Å | ||
| 246 | S | 27.2 | Very low | 28.8 | Very low | 113 Ų | 113 | 129.5 Ų | 129.5 | 79% | 0.79 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -62.3 | 87.6 | 171.5 | 51.2 | 0 | 0 | 0 | 0 | 110.7 | ||
| 247 | D | 28 | Very low | 29.9 | Very low | 144 Ų | 144 | 133.5 Ų | 133.5 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | trans | -151.4 | 142.4 | 158 | -83.6 | -39.6 | 0 | 0 | 0 | 107 | S245 | S245-D247 VanDerWaalsContact C-N 3.34Å; S245-D247 PolarHBondContact O-N 3.18Å | ||
| 248 | I | 32 | Very low | 31.1 | Very low | 166 Ų | 166 | 131.1 Ų | 131.1 | 85% | 0.851 | 74% | 0.743 | S | S | * | * | trans | 98.3 | 69.9 | -173.4 | -47.9 | 156.7 | 0 | 0 | 0 | 113.5 | ||||
| 249 | S | 27 | Very low | 32.6 | Very low | 129 Ų | 129 | 133.7 Ų | 133.7 | 90% | 0.902 | 75% | 0.747 | S | S | * | * | trans | -76.9 | 108.2 | 142.7 | 52.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 250 | G | 28.4 | Very low | 34.7 | Very low | 63 Ų | 63 | 129.6 Ų | 129.6 | 65% | 0.649 | 72% | 0.717 | S | S | * | * | trans | -168.4 | 130.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 251 | D | 28.1 | Very low | 37.1 | Very low | 161 Ų | 161 | 128 Ų | 128 | 86% | 0.861 | 72% | 0.723 | S | S | * | * | trans | -37.1 | 133.8 | -165.7 | -82.8 | -45.4 | 0 | 0 | 0 | 118.8 | S253 | D251-S253 PolarHBondContact O-N 3.42Š| ||
| 252 | C | 31.3 | Very low | 40 | Very low | 109 Ų | 109 | 121.5 Ų | 121.5 | 74% | 0.736 | 69% | 0.694 | S | S | * | * | trans | -97.2 | 75.6 | -174.4 | -153.3 | 0 | 0 | 0 | 0 | 110.9 | T200 | T200-C252 WeakPolarHBondContact CG2-SG 3.46Š| ||
| 253 | S | 31.5 | Very low | 42.9 | Very low | 99 Ų | 99 | 116.9 Ų | 116.9 | 69% | 0.692 | 67% | 0.671 | S | S | * | * | trans | -144.1 | 27.7 | 171.4 | 80 | 0 | 0 | 0 | 0 | 114.7 | D251 T255 | D251-S253 PolarHBondContact O-N 3.42Å; S253-T255 PolarHBondContact O-N 2.93Å | ||
| 254 | L | 31.5 | Very low | 46.1 | Very low | 145 Ų | 145 | 115.9 Ų | 115.9 | 76% | 0.759 | 67% | 0.665 | S | S | * | * | trans | -99.5 | 76.6 | -179.4 | -69.9 | 167.6 | 0 | 0 | 0 | 111.8 | M256 | L254-M256 HydrophobicContact CD2-CG 4.48Š| ||
| 255 | T | 36.7 | Very low | 49.2 | Very low | 125 Ų | 125 | 111.3 Ų | 111.3 | 77% | 0.767 | 64% | 0.641 | S | S | * | * | trans | -84.7 | 16.1 | 158.5 | 42.8 | 0 | 0 | 0 | 0 | 112.3 | S253 | S253-T255 PolarHBondContact O-N 2.93Š| ||
| 256 | M | 37.8 | Very low | 52.4 | Low | 152 Ų | 152 | 106.2 Ų | 106.2 | 75% | 0.749 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -75.1 | 129.1 | 176.9 | -65.9 | -67.3 | -98 | 0 | 0 | 109.7 | L254 H258 | L254-M256 HydrophobicContact CD2-CG 4.48Å; M256-H258 PolarHBondContact O-N 2.92Å |
| 257 | K | 48.3 | Very low | 55.6 | Low | 186 Ų | 186 | 103.4 Ų | 103.4 | 81% | 0.809 | 59% | 0.589 | S | S | * | * | trans | -21.6 | 91.5 | 172.3 | -64.9 | 175.9 | 176.2 | -176.2 | 0 | 112.8 | E259 | K257-E259 PolarHBondContact O-N 3.41Š| ||
| 258 | H | 52.8 | Low | 58.8 | Low | 98 Ų | 98 | 100.8 Ų | 100.8 | 45% | 0.454 | 57% | 0.572 | S | S | . | * | trans | -79.9 | 67.1 | 175.5 | -160.7 | -44.3 | 0 | 0 | 0 | 108.4 | M256 F260 | M256-H258 PolarHBondContact O-N 2.92Å; H258-F260 PolarHBondContact O-N 3.43Å | ||
| 259 | E | 57.3 | Low | 61.9 | Low | 156 Ų | 156 | 92.9 Ų | 92.9 | 73% | 0.729 | 53% | 0.532 | S | S | * | . | trans | -70.3 | 112.7 | 163 | -77.3 | 172.5 | -163.6 | 0 | 0 | 106.6 | K257 | K257-E259 PolarHBondContact O-N 3.41Š| ||
| 260 | F | 72.2 | Confident | 65.3 | Low | 11 Ų | 11 | 87.5 Ų | 87.5 | 5% | 0.048 | 49% | 0.492 | C | S | . | . | trans | -92.4 | 150.1 | 168.4 | 51 | -92.7 | 0 | 0 | 0 | 108.3 | H258 N262 T263 V266 L299 M303 | H258-F260 PolarHBondContact O-N 3.43Å; F260-N262 HydrophobicContact CD2-CB 4.48Å; F260-N262 WeakPolarHBondContact CE2-O 3.31Å; F260-N262 PolarHBondContact O-N 3.22Å; F260-T263 PolarHBondContact O-N 2.92Å; F260-T263 PolarHBondContact O-OG1 3.11Å; F260-V266 HydrophobicContact CE2-CB 3.97Å; F260-V266 HydrophobicContact CE2-CG2 3.5Å; F260-V266 VanDerWaalsContact CE2-CG2 3.5Å; F260-V266 HydrophobicContact CZ-CB 4.08Å; F260-V266 HydrophobicContact CZ-CG1 4.13Å; F260-V266 HydrophobicContact CZ-CG2 3.89Å; F260-L299 HydrophobicContact CE1-CD2 3.77Å; F260-L299 HydrophobicContact CZ-CD2 3.73Å; F260-M303 HydrophobicContact CE1-CE 4.37Å; F260-M303 HydrophobicContact CE1-SD 4.47Å; F260-M303 HydrophobicContact CZ-CE 4.15Å | ||
| 261 | P | 75.7 | Confident | 68.5 | Low | 127 Ų | 127 | 89.2 Ų | 89.2 | 83% | 0.825 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -26.4 | -169.3 | 18.1 | -31.5 | 0 | 0 | 0 | 114.6 | T263 | P261-T263 PolarHBondContact O-N 2.87Š|
| 262 | N | 86.3 | Confident | 71.8 | Confident | 28 Ų | 28 | 85.9 Ų | 85.9 | 15% | 0.15 | 47% | 0.465 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 40.7 | -177.2 | -57.9 | 98.8 | 0 | 0 | 0 | 113.6 | F193 F260 E265 V266 | F193-N262 HydrophobicContact CB-CB 3.82Å; F193-N262 HydrophobicContact CD1-CB 3.52Å; F193-N262 HydrophobicContact CE1-CB 4.33Å; F193-N262 HydrophobicContact CG-CB 3.87Å; F260-N262 HydrophobicContact CD2-CB 4.48Å; F260-N262 WeakPolarHBondContact CE2-O 3.31Å; F260-N262 PolarHBondContact O-N 3.22Å; N262-E265 WeakPolarHBondContact CA-OE2 3.25Å; N262-E265 WeakPolarHBondContact CB-OE2 3.3Å; N262-E265 PolarHBondContact ND2-OE1 3.35Å; N262-V266 WeakPolarHBondContact O-CG2 3.46Å; N262-V266 PolarHBondContact O-N 3.27Å |
| 263 | T | 87.4 | Confident | 74.9 | Confident | 42 Ų | 42 | 80.7 Ų | 80.7 | 26% | 0.258 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66.8 | -38.6 | -176.1 | -64.6 | 0 | 0 | 0 | 0 | 111.8 | F260 P261 V266 A267 M303 | F260-T263 PolarHBondContact O-N 2.92Å; F260-T263 PolarHBondContact O-OG1 3.11Å; P261-T263 PolarHBondContact O-N 2.87Å; T263-V266 PolarHBondContact O-N 3.49Å; T263-A267 PolarHBondContact O-N 3.16Å; T263-M303 HydrophobicContact CG2-CE 3.94Å |
| 264 | D | 91.5 | Very high | 78.1 | Confident | 134 Ų | 134 | 76.6 Ų | 76.6 | 72% | 0.717 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -66 | -44.3 | -179.3 | -66.6 | -22.9 | 0 | 0 | 0 | 111.5 | V266 A267 E268 | D264-V266 VanDerWaalsContact C-N 3.26Å; D264-V266 PolarHBondContact O-N 3.44Å; D264-A267 WeakPolarHBondContact O-CB 3.31Å; D264-A267 PolarHBondContact O-N 2.83Å; D264-A267 VanDerWaalsContact O-N 3.17Å; D264-E268 PolarHBondContact O-N 3.19Å |
| 265 | E | 94.5 | Very high | 81.1 | Confident | 43 Ų | 43 | 72.5 Ų | 72.5 | 20% | 0.201 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.4 | -34 | 176.7 | -60.8 | 97.9 | 134.5 | 0 | 0 | 111.7 | S159 L162 F193 N262 V269 | S159-E265 PolarHBondContact OG-OE1 3.1Å; L162-E265 HydrophobicContact CD2-CB 3.75Å; L162-E265 HydrophobicContact CD2-CG 4.09Å; F193-E265 HydrophobicContact CD1-CB 4.48Å; F193-E265 HydrophobicContact CD2-CB 3.8Å; F193-E265 HydrophobicContact CE1-CB 4.26Å; F193-E265 HydrophobicContact CE1-CG 4.35Å; F193-E265 HydrophobicContact CE2-CB 3.56Å; F193-E265 HydrophobicContact CE2-CG 4.3Å; F193-E265 HydrophobicContact CG-CB 4.27Å; F193-E265 HydrophobicContact CZ-CB 3.81Å; F193-E265 HydrophobicContact CZ-CG 4.04Å; N262-E265 WeakPolarHBondContact CA-OE2 3.25Å; N262-E265 WeakPolarHBondContact CB-OE2 3.3Å; N262-E265 PolarHBondContact ND2-OE1 3.35Å; E265-V269 VanDerWaalsContact O-CG2 3.27Å; E265-V269 WeakPolarHBondContact O-CG2 3.46Å; E265-V269 PolarHBondContact O-N 3.1Å |
| 266 | V | 94.4 | Very high | 84 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -69 | -41.3 | 174.3 | 170.1 | 0 | 0 | 0 | 0 | 111.5 | F193 C194 F260 N262 T263 D264 E268 V269 I270 I295 L299 | F193-V266 HydrophobicContact CB-CG2 3.48Å; F193-V266 VanDerWaalsContact CB-CG2 3.48Å; F193-V266 HydrophobicContact CD2-CG2 4.38Å; F193-V266 HydrophobicContact CG-CG2 4.33Å; C194-V266 VanDerWaalsContact SG-CG2 3.59Å; F260-V266 HydrophobicContact CE2-CB 3.97Å; F260-V266 HydrophobicContact CE2-CG2 3.5Å; F260-V266 VanDerWaalsContact CE2-CG2 3.5Å; F260-V266 HydrophobicContact CZ-CB 4.08Å; F260-V266 HydrophobicContact CZ-CG1 4.13Å; F260-V266 HydrophobicContact CZ-CG2 3.89Å; N262-V266 WeakPolarHBondContact O-CG2 3.46Å; N262-V266 PolarHBondContact O-N 3.27Å; T263-V266 PolarHBondContact O-N 3.49Å; D264-V266 VanDerWaalsContact C-N 3.26Å; D264-V266 PolarHBondContact O-N 3.44Å; V266-E268 VanDerWaalsContact C-N 3.34Å; V266-V269 PolarHBondContact O-N 3.01Å; V266-I270 HydrophobicContact CG1-CD1 3.79Å; V266-I270 HydrophobicContact CG1-CG1 4.43Å; V266-I270 WeakPolarHBondContact O-CB 3.43Å; V266-I270 VanDerWaalsContact O-CG1 3.27Å; V266-I270 WeakPolarHBondContact O-CG1 3.26Å; V266-I270 PolarHBondContact O-N 3.39Å; V266-I295 HydrophobicContact CG1-CG2 4.02Å; V266-L299 HydrophobicContact CG1-CD2 4.03Å |
| 267 | A | 94.6 | Very high | 86.8 | Confident | 53 Ų | 53 | 59.7 Ų | 59.7 | 44% | 0.438 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.3 | -43.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | T263 D264 I270 D271 | T263-A267 PolarHBondContact O-N 3.16Å; D264-A267 WeakPolarHBondContact O-CB 3.31Å; D264-A267 PolarHBondContact O-N 2.83Å; D264-A267 VanDerWaalsContact O-N 3.17Å; A267-I270 PolarHBondContact O-N 3.3Å; A267-D271 PolarHBondContact O-N 3.14Å |
| 268 | E | 95.6 | Very high | 89.1 | Confident | 90 Ų | 90 | 54.9 Ų | 54.9 | 42% | 0.421 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.5 | -44.3 | 176.5 | -173.1 | 171.3 | -149.6 | 0 | 0 | 112.2 | L166 D264 V266 I270 D271 K272 | L166-E268 HydrophobicContact CD1-CG 3.94Å; L166-E268 VanDerWaalsContact CD1-OE1 3.25Å; L166-E268 WeakPolarHBondContact CD1-OE1 3.41Å; L166-E268 WeakPolarHBondContact CD1-OE2 3.39Å; D264-E268 PolarHBondContact O-N 3.19Å; V266-E268 VanDerWaalsContact C-N 3.34Å; E268-I270 VanDerWaalsContact C-N 3.34Å; E268-I270 PolarHBondContact O-N 3.39Å; E268-D271 PolarHBondContact O-N 3.21Å; E268-K272 WeakPolarHBondContact O-CG 3.36Å; E268-K272 PolarHBondContact O-N 3.36Å; E268-K272 VanDerWaalsContact O-N 3.08Å |
| 269 | V | 97.4 | Very high | 91 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 174 | 169.4 | 0 | 0 | 0 | 0 | 111 | L162 L186 E265 V266 K272 L273 I295 | L162-V269 HydrophobicContact CD1-CG2 3.55Å; L162-V269 HydrophobicContact CD2-CG2 4.18Å; L186-V269 HydrophobicContact CB-CG1 4.41Å; L186-V269 WeakPolarHBondContact O-CG1 3.47Å; E265-V269 VanDerWaalsContact O-CG2 3.27Å; E265-V269 WeakPolarHBondContact O-CG2 3.46Å; E265-V269 PolarHBondContact O-N 3.1Å; V266-V269 PolarHBondContact O-N 3.01Å; V269-K272 PolarHBondContact O-N 3.48Å; V269-L273 HydrophobicContact CG1-CD1 4.01Å; V269-L273 HydrophobicContact CG1-CG 4.34Å; V269-L273 VanDerWaalsContact O-CG 3.26Å; V269-L273 WeakPolarHBondContact O-CG 3.45Å; V269-L273 PolarHBondContact O-N 3.04Å; V269-I295 HydrophobicContact CG1-CD1 3.71Å |
| 270 | I | 97.5 | Very high | 92.6 | Very high | 15 Ų | 15 | 49.8 Ų | 49.8 | 8% | 0.077 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 179.1 | -76.3 | 170.3 | 0 | 0 | 0 | 110.9 | V266 A267 E268 K272 L273 I274 I295 L299 V307 | V266-I270 HydrophobicContact CG1-CD1 3.79Å; V266-I270 HydrophobicContact CG1-CG1 4.43Å; V266-I270 WeakPolarHBondContact O-CB 3.43Å; V266-I270 VanDerWaalsContact O-CG1 3.27Å; V266-I270 WeakPolarHBondContact O-CG1 3.26Å; V266-I270 PolarHBondContact O-N 3.39Å; A267-I270 PolarHBondContact O-N 3.3Å; E268-I270 VanDerWaalsContact C-N 3.34Å; E268-I270 PolarHBondContact O-N 3.39Å; I270-K272 VanDerWaalsContact C-N 3.34Å; I270-K272 PolarHBondContact O-N 2.66Å; I270-L273 CarbonylContact O-C 3.22Å; I270-L273 PolarHBondContact O-N 3.24Å; I270-L273 VanDerWaalsContact O-N 3.09Å; I270-I274 HydrophobicContact CG2-CD1 3.83Å; I270-I274 HydrophobicContact CG2-CG1 4.32Å; I270-I274 WeakPolarHBondContact O-CG1 3.42Å; I270-I274 PolarHBondContact O-N 3.28Å; I270-I295 HydrophobicContact CD1-CG2 4.05Å; I270-I295 HydrophobicContact CG1-CG2 4.17Å; I270-L299 HydrophobicContact CD1-CD1 3.8Å; I270-V307 HydrophobicContact CD1-CG2 3.96Å; I270-V307 HydrophobicContact CG2-CG1 4.47Å; I270-V307 HydrophobicContact CG2-CG2 3.84Å |
| 271 | D | 96.8 | Very high | 93.6 | Very high | 100 Ų | 100 | 51.8 Ų | 51.8 | 54% | 0.535 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.9 | -44.1 | 178.7 | -174.9 | 51.7 | 0 | 0 | 0 | 111.5 | A267 E268 L273 I274 S275 | A267-D271 PolarHBondContact O-N 3.14Å; E268-D271 PolarHBondContact O-N 3.21Å; D271-L273 VanDerWaalsContact C-N 3.34Å; D271-L273 PolarHBondContact O-N 3.47Å; D271-I274 PolarHBondContact O-N 3.33Å; D271-S275 WeakPolarHBondContact O-CB 3.45Å; D271-S275 PolarHBondContact O-N 3.49Å |
| 272 | K | 95.7 | Very high | 94.5 | Very high | 91 Ų | 91 | 49.3 Ų | 49.3 | 40% | 0.396 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.2 | -38.6 | 173.1 | -65.8 | -58.7 | -177 | -172.1 | 0 | 113 | L166 L186 E268 V269 I270 S275 A276 | L166-K272 HydrophobicContact CD2-CD 4.18Å; L166-K272 HydrophobicContact CD2-CG 3.69Å; L186-K272 HydrophobicContact CD1-CB 3.92Å; E268-K272 WeakPolarHBondContact O-CG 3.36Å; E268-K272 PolarHBondContact O-N 3.36Å; E268-K272 VanDerWaalsContact O-N 3.08Å; V269-K272 PolarHBondContact O-N 3.48Å; I270-K272 VanDerWaalsContact C-N 3.34Å; I270-K272 PolarHBondContact O-N 2.66Å; K272-S275 PolarHBondContact O-N 3.43Å; K272-A276 WeakPolarHBondContact O-CB 3.5Å; K272-A276 PolarHBondContact O-N 3.44Å |
| 273 | L | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.5 | -38.1 | 176.1 | -66.7 | 175.7 | 0 | 0 | 0 | 112 | T183 L186 Q187 V269 I270 D271 A276 L277 A288 I292 I295 | T183-L273 HydrophobicContact CG2-CD2 3.81Å; L186-L273 HydrophobicContact CB-CD2 4.37Å; Q187-L273 HydrophobicContact CB-CD1 4.43Å; Q187-L273 HydrophobicContact CB-CD2 4.46Å; V269-L273 HydrophobicContact CG1-CD1 4.01Å; V269-L273 HydrophobicContact CG1-CG 4.34Å; V269-L273 VanDerWaalsContact O-CG 3.26Å; V269-L273 WeakPolarHBondContact O-CG 3.45Å; V269-L273 PolarHBondContact O-N 3.04Å; I270-L273 CarbonylContact O-C 3.22Å; I270-L273 PolarHBondContact O-N 3.24Å; I270-L273 VanDerWaalsContact O-N 3.09Å; D271-L273 VanDerWaalsContact C-N 3.34Å; D271-L273 PolarHBondContact O-N 3.47Å; L273-A276 PolarHBondContact O-N 3.23Å; L273-L277 PolarHBondContact O-N 2.76Å; L273-L277 VanDerWaalsContact O-N 3.11Å; L273-A288 HydrophobicContact CD2-CB 4.47Å; L273-A288 WeakPolarHBondContact O-CB 3.28Å; L273-I292 HydrophobicContact CB-CD1 4.14Å; L273-I292 HydrophobicContact CB-CG1 3.75Å; L273-I292 HydrophobicContact CD1-CG1 4.22Å; L273-I295 HydrophobicContact CD1-CD1 3.68Å |
| 274 | I | 97.8 | Very high | 95.2 | Very high | 13 Ų | 13 | 47.7 Ų | 47.7 | 7% | 0.067 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.4 | -41.8 | 174.5 | -68.4 | 177 | 0 | 0 | 0 | 110.2 | I270 D271 A276 L277 I292 A310 L314 | I270-I274 HydrophobicContact CG2-CD1 3.83Å; I270-I274 HydrophobicContact CG2-CG1 4.32Å; I270-I274 WeakPolarHBondContact O-CG1 3.42Å; I270-I274 PolarHBondContact O-N 3.28Å; D271-I274 PolarHBondContact O-N 3.33Å; I274-A276 VanDerWaalsContact C-N 3.33Å; I274-A276 PolarHBondContact O-N 3.35Å; I274-L277 VanDerWaalsContact O-CB 3.28Å; I274-L277 WeakPolarHBondContact O-CB 3.14Å; I274-L277 PolarHBondContact O-N 3.09Å; I274-L277 VanDerWaalsContact O-N 3.14Å; I274-I292 HydrophobicContact CG1-CD1 4.01Å; I274-A310 HydrophobicContact CD1-CB 3.58Å; I274-L314 HydrophobicContact CG2-CD1 4.34Å; I274-L314 HydrophobicContact CG2-CD2 4.41Å |
| 275 | S | 95.7 | Very high | 95.5 | Very high | 58 Ų | 58 | 41.5 Ų | 41.5 | 41% | 0.406 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -58.3 | -44.6 | 170.9 | -174.2 | 0 | 0 | 0 | 0 | 111.6 | D271 K272 L277 R278 | D271-S275 WeakPolarHBondContact O-CB 3.45Å; D271-S275 PolarHBondContact O-N 3.49Å; K272-S275 PolarHBondContact O-N 3.43Å; S275-L277 PolarHBondContact O-N 2.88Å; S275-L277 VanDerWaalsContact O-N 3.16Å; S275-R278 WeakPolarHBondContact O-CB 3.41Å; S275-R278 PolarHBondContact O-N 3.3Å |
| 276 | A | 95.9 | Very high | 95.7 | Very high | 9 Ų | 9 | 44 Ų | 44 | 7% | 0.074 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.1 | -17.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | T183 K272 L273 I274 R278 S279 V284 A288 | T183-A276 HydrophobicContact CG2-CB 4.4Å; K272-A276 WeakPolarHBondContact O-CB 3.5Å; K272-A276 PolarHBondContact O-N 3.44Å; L273-A276 PolarHBondContact O-N 3.23Å; I274-A276 VanDerWaalsContact C-N 3.33Å; I274-A276 PolarHBondContact O-N 3.35Å; A276-R278 PolarHBondContact O-N 2.85Å; A276-S279 VanDerWaalsContact O-CB 3.24Å; A276-S279 WeakPolarHBondContact O-CB 3.45Å; A276-S279 PolarHBondContact O-N 3.29Å; A276-V284 HydrophobicContact CB-CG1 4.16Å; A276-A288 HydrophobicContact CB-CB 3.81Å |
| 277 | L | 97.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -21.6 | 168.9 | -63.2 | -179.4 | 0 | 0 | 0 | 112.4 | L273 I274 S275 R285 A288 A289 I292 V311 L314 T322 A330 | L273-L277 PolarHBondContact O-N 2.76Å; L273-L277 VanDerWaalsContact O-N 3.11Å; I274-L277 VanDerWaalsContact O-CB 3.28Å; I274-L277 WeakPolarHBondContact O-CB 3.14Å; I274-L277 PolarHBondContact O-N 3.09Å; I274-L277 VanDerWaalsContact O-N 3.14Å; S275-L277 PolarHBondContact O-N 2.88Å; S275-L277 VanDerWaalsContact O-N 3.16Å; L277-R285 WeakPolarHBondContact O-CD 3.29Å; L277-R285 VanDerWaalsContact O-CG 3.27Å; L277-R285 WeakPolarHBondContact O-CG 3.27Å; L277-A288 HydrophobicContact CD2-CB 3.78Å; L277-A288 HydrophobicContact CG-CB 4.42Å; L277-A289 HydrophobicContact CD2-CB 4.07Å; L277-I292 HydrophobicContact CD1-CD1 3.67Å; L277-I292 HydrophobicContact CD2-CD1 4.14Å; L277-I292 HydrophobicContact CG-CD1 3.97Å; L277-V311 HydrophobicContact CD1-CG2 4.25Å; L277-L314 HydrophobicContact CB-CD1 3.92Å; L277-L314 HydrophobicContact CD1-CD1 3.77Å; L277-L314 HydrophobicContact CG-CD1 4.49Å; L277-T322 VanDerWaalsContact O-O 3.09Å; L277-A330 HydrophobicContact CD1-CB 3.92Å; L277-A330 HydrophobicContact CD2-CB 4.34Å |
| 278 | R | 95.6 | Very high | 95.9 | Very high | 85 Ų | 85 | 42.1 Ų | 42.1 | 32% | 0.321 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -9.9 | 176 | -57.6 | -173.4 | 169.9 | 87.1 | -13.8 | 113.9 | S275 A276 Q280 E319 T322 A323 | S275-R278 WeakPolarHBondContact O-CB 3.41Å; S275-R278 PolarHBondContact O-N 3.3Å; A276-R278 PolarHBondContact O-N 2.85Å; R278-Q280 PolarHBondContact O-N 3.43Å; R278-E319 IonicContact CZ-OE1 3.25Å; R278-E319 IonicContact CZ-OE2 3.46Å; R278-E319 IonicContact NE-OE1 3.42Å; R278-E319 PolarHBondContact NE-OE1 2.96Å; R278-E319 IonicContact NE-OE2 3.27Å; R278-E319 PolarHBondContact NE-OE2 3.33Å; R278-E319 IonicContact NH2-OE1 2.85Å; R278-E319 PolarHBondContact NH2-OE1 2.81Å; R278-E319 IonicContact NH2-OE2 2.76Å; R278-T322 WeakPolarHBondContact O-CB 3.37Å; R278-T322 PolarHBondContact O-OG1 3.3Å; R278-A323 HydrophobicContact CG-CB 3.88Å |
| 279 | S | 94 | Very high | 96.1 | Very high | 11 Ų | 11 | 37.9 Ų | 37.9 | 8% | 0.077 | 20% | 0.196 | C | C | . | . | trans | -51.1 | 141 | -175.2 | -178.1 | 0 | 0 | 0 | 0 | 111.5 | A276 F281 R285 | A276-S279 VanDerWaalsContact O-CB 3.24Å; A276-S279 WeakPolarHBondContact O-CB 3.45Å; A276-S279 PolarHBondContact O-N 3.29Å; S279-F281 PolarHBondContact O-N 2.96Å; S279-F281 PolarHBondContact OG-N 3.01Å; S279-R285 VanDerWaalsContact O-CD 3.31Å; S279-R285 WeakPolarHBondContact O-CD 3.4Å; S279-R285 WeakPolarHBondContact O-CG 3.33Å; S279-R285 PolarHBondContact O-NH1 3.24Å | ||
| 280 | Q | 91.3 | Very high | 96.1 | Very high | 136 Ų | 136 | 40.7 Ų | 40.7 | 64% | 0.636 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -59 | -27.1 | 174.6 | 59.5 | -176.4 | -14.4 | 0 | 0 | 113 | R278 R285 | R278-Q280 PolarHBondContact O-N 3.43Å; Q280-R285 VanDerWaalsContact C-NH1 3.34Å; Q280-R285 PolarHBondContact O-NH1 3.25Å |
| 281 | F | 92.9 | Very high | 96.1 | Very high | 52 Ų | 52 | 40 Ų | 40 | 23% | 0.228 | 21% | 0.205 | C | C | . | . | trans | -91 | 119.7 | -175.7 | -54 | -62.5 | 0 | 0 | 0 | 112.6 | I176 S279 G283 V284 R285 | I176-F281 HydrophobicContact CB-CD1 3.9Å; I176-F281 HydrophobicContact CB-CD2 4.13Å; I176-F281 HydrophobicContact CB-CE1 3.87Å; I176-F281 HydrophobicContact CB-CE2 4.1Å; I176-F281 HydrophobicContact CB-CG 4.03Å; I176-F281 HydrophobicContact CB-CZ 3.96Å; I176-F281 HydrophobicContact CD1-CB 4.01Å; I176-F281 HydrophobicContact CD1-CD1 3.6Å; I176-F281 HydrophobicContact CD1-CE1 4.26Å; I176-F281 HydrophobicContact CD1-CG 3.9Å; I176-F281 HydrophobicContact CG1-CB 3.9Å; I176-F281 HydrophobicContact CG1-CD1 3.7Å; I176-F281 HydrophobicContact CG1-CD2 4.07Å; I176-F281 HydrophobicContact CG1-CE1 4.21Å; I176-F281 HydrophobicContact CG1-CG 3.61Å; S279-F281 PolarHBondContact O-N 2.96Å; S279-F281 PolarHBondContact OG-N 3.01Å; F281-G283 PolarHBondContact O-N 3.18Å; F281-V284 HydrophobicContact CB-CB 4.24Å; F281-V284 HydrophobicContact CB-CG2 3.81Å; F281-V284 HydrophobicContact CD2-CG2 4.24Å; F281-V284 HydrophobicContact CG-CG2 4.5Å; F281-V284 WeakPolarHBondContact O-CB 3.43Å; F281-V284 PolarHBondContact O-N 3.44Å; F281-R285 PolarHBondContact O-N 3.34Å | ||
| 282 | T | 94.5 | Very high | 96.2 | Very high | 75 Ų | 75 | 35.2 Ų | 35.2 | 46% | 0.46 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -53 | -40 | 176.5 | -63.3 | 0 | 0 | 0 | 0 | 113.3 | V284 R285 W286 | T282-V284 VanDerWaalsContact C-N 3.26Å; T282-V284 PolarHBondContact O-N 3.41Å; T282-R285 PolarHBondContact O-N 3.21Å; T282-R285 PolarHBondContact OG1-NH2 3.19Å; T282-W286 WeakPolarHBondContact O-CB 3.06Å; T282-W286 PolarHBondContact O-N 3.02Å |
| 283 | G | 93.4 | Very high | 96.2 | Very high | 34 Ų | 34 | 30.9 Ų | 30.9 | 35% | 0.351 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -63.7 | -29.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | F281 S287 | F281-G283 PolarHBondContact O-N 3.18Å; G283-S287 WeakPolarHBondContact O-CB 3.31Å; G283-S287 PolarHBondContact O-N 3.41Å |
| 284 | V | 95.7 | Very high | 96.1 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.018 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -74.1 | -51.3 | 175.5 | 177.4 | 0 | 0 | 0 | 0 | 109.5 | C179 R180 A276 F281 T282 W286 S287 A288 | C179-V284 HydrophobicContact CB-CG2 3.72Å; R180-V284 HydrophobicContact CB-CG2 4.06Å; A276-V284 HydrophobicContact CB-CG1 4.16Å; F281-V284 HydrophobicContact CB-CB 4.24Å; F281-V284 HydrophobicContact CB-CG2 3.81Å; F281-V284 HydrophobicContact CD2-CG2 4.24Å; F281-V284 HydrophobicContact CG-CG2 4.5Å; F281-V284 WeakPolarHBondContact O-CB 3.43Å; F281-V284 PolarHBondContact O-N 3.44Å; T282-V284 VanDerWaalsContact C-N 3.26Å; T282-V284 PolarHBondContact O-N 3.41Å; V284-W286 VanDerWaalsContact C-N 3.29Å; V284-W286 PolarHBondContact O-N 3.49Å; V284-S287 WeakPolarHBondContact O-CA 3.32Å; V284-S287 WeakPolarHBondContact O-CB 3.46Å; V284-S287 PolarHBondContact O-N 3.16Å; V284-A288 PolarHBondContact O-N 3.25Å |
| 285 | R | 97.2 | Very high | 95.9 | Very high | 3 Ų | 3 | 33 Ų | 33 | 1% | 0.011 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -54.2 | -44.2 | 176.8 | -61.3 | -168.7 | -66.5 | -102 | 5.7 | 112.7 | L277 S279 Q280 F281 T282 A288 A289 T322 H325 L329 | L277-R285 WeakPolarHBondContact O-CD 3.29Å; L277-R285 VanDerWaalsContact O-CG 3.27Å; L277-R285 WeakPolarHBondContact O-CG 3.27Å; S279-R285 VanDerWaalsContact O-CD 3.31Å; S279-R285 WeakPolarHBondContact O-CD 3.4Å; S279-R285 WeakPolarHBondContact O-CG 3.33Å; S279-R285 PolarHBondContact O-NH1 3.24Å; Q280-R285 VanDerWaalsContact C-NH1 3.34Å; Q280-R285 PolarHBondContact O-NH1 3.25Å; F281-R285 PolarHBondContact O-N 3.34Å; T282-R285 PolarHBondContact O-N 3.21Å; T282-R285 PolarHBondContact OG1-NH2 3.19Å; R285-A288 PolarHBondContact O-N 2.7Å; R285-A289 WeakPolarHBondContact O-CB 3.41Å; R285-A289 PolarHBondContact O-N 3.36Å; R285-T322 WeakPolarHBondContact CD-O 3.37Å; R285-H325 PolarHBondContact NE-ND1 3.04Å; R285-H325 PolarHBondContact NH2-ND1 2.76Å; R285-L329 HydrophobicContact CB-CD1 4.38Å |
| 286 | W | 97.2 | Very high | 95.9 | Very high | 97 Ų | 97 | 30.2 Ų | 30.2 | 37% | 0.367 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -65.2 | -38.6 | 176.5 | -176.7 | -97.5 | 0 | 0 | 0 | 113 | T282 V284 K290 L329 Y377 | T282-W286 WeakPolarHBondContact O-CB 3.06Å; T282-W286 PolarHBondContact O-N 3.02Å; V284-W286 VanDerWaalsContact C-N 3.29Å; V284-W286 PolarHBondContact O-N 3.49Å; W286-K290 WeakPolarHBondContact O-CG 3.48Å; W286-K290 PolarHBondContact O-N 3.25Å; W286-L329 HydrophobicContact CB-CD1 4.35Å; W286-L329 HydrophobicContact CE3-CD1 3.89Å; W286-L329 HydrophobicContact CE3-CD2 3.54Å; W286-L329 HydrophobicContact CE3-CG 4.25Å; W286-L329 HydrophobicContact CZ3-CD2 3.53Å; W286-Y377 HydrophobicContact CH2-CE1 4.04Å; W286-Y377 HydrophobicContact CZ3-CD1 4.44Å; W286-Y377 AromaticContact CZ3-CE1 3.99Å; W286-Y377 HydrophobicContact CZ3-CE1 3.99Å |
| 287 | S | 96.8 | Very high | 95.7 | Very high | 13 Ų | 13 | 31.1 Ų | 31.1 | 9% | 0.091 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.7 | -42.8 | 174.9 | -167.6 | 0 | 0 | 0 | 0 | 111.1 | G283 V284 K290 G291 | G283-S287 WeakPolarHBondContact O-CB 3.31Å; G283-S287 PolarHBondContact O-N 3.41Å; V284-S287 WeakPolarHBondContact O-CA 3.32Å; V284-S287 WeakPolarHBondContact O-CB 3.46Å; V284-S287 PolarHBondContact O-N 3.16Å; S287-K290 PolarHBondContact O-N 2.54Å; S287-G291 PolarHBondContact O-N 3.34Å |
| 288 | A | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.6 | -50.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | T183 L273 A276 L277 V284 R285 K290 G291 I292 | T183-A288 HydrophobicContact CG2-CB 3.89Å; L273-A288 HydrophobicContact CD2-CB 4.47Å; L273-A288 WeakPolarHBondContact O-CB 3.28Å; A276-A288 HydrophobicContact CB-CB 3.81Å; L277-A288 HydrophobicContact CD2-CB 3.78Å; L277-A288 HydrophobicContact CG-CB 4.42Å; V284-A288 PolarHBondContact O-N 3.25Å; R285-A288 PolarHBondContact O-N 2.7Å; A288-K290 VanDerWaalsContact C-N 3.31Å; A288-K290 PolarHBondContact O-N 3.32Å; A288-G291 CarbonylContact O-C 3.35Å; A288-G291 WeakPolarHBondContact O-CA 3.46Å; A288-G291 PolarHBondContact O-N 2.92Å; A288-I292 WeakPolarHBondContact O-CG1 3.34Å; A288-I292 PolarHBondContact O-N 3.47Å |
| 289 | A | 98.5 | Very high | 95.3 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.008 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -55.2 | -43.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L277 R285 G291 G293 L329 A330 | L277-A289 HydrophobicContact CD2-CB 4.07Å; R285-A289 WeakPolarHBondContact O-CB 3.41Å; R285-A289 PolarHBondContact O-N 3.36Å; A289-G291 VanDerWaalsContact C-N 3.34Å; A289-G291 PolarHBondContact O-N 3.43Å; A289-G293 PolarHBondContact O-N 3.15Å; A289-L329 HydrophobicContact CB-CB 3.68Å; A289-A330 HydrophobicContact CB-CB 4.19Å |
| 290 | K | 97.7 | Very high | 95.1 | Very high | 58 Ų | 58 | 31.1 Ų | 31.1 | 25% | 0.252 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -66.3 | -34.9 | 174.4 | -76.7 | -176.5 | 174.5 | -175.9 | 0 | 113.1 | W286 S287 A288 R294 E333 | W286-K290 WeakPolarHBondContact O-CG 3.48Å; W286-K290 PolarHBondContact O-N 3.25Å; S287-K290 PolarHBondContact O-N 2.54Å; A288-K290 VanDerWaalsContact C-N 3.31Å; A288-K290 PolarHBondContact O-N 3.32Å; K290-R294 VanDerWaalsContact O-CG 3.31Å; K290-R294 WeakPolarHBondContact O-CG 3.33Å; K290-R294 PolarHBondContact O-N 3.3Å; K290-R294 VanDerWaalsContact O-N 3.14Å; K290-E333 HydrophobicContact CG-CG 4.12Å |
| 291 | G | 97.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.2 | -54.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | S287 A288 A289 G293 R294 I295 | S287-G291 PolarHBondContact O-N 3.34Å; A288-G291 CarbonylContact O-C 3.35Å; A288-G291 WeakPolarHBondContact O-CA 3.46Å; A288-G291 PolarHBondContact O-N 2.92Å; A289-G291 VanDerWaalsContact C-N 3.34Å; A289-G291 PolarHBondContact O-N 3.43Å; G291-G293 PolarHBondContact O-N 2.98Å; G291-R294 PolarHBondContact O-N 3.17Å; G291-R294 VanDerWaalsContact O-N 3.09Å; G291-I295 WeakPolarHBondContact O-CG1 3.41Å; G291-I295 PolarHBondContact O-N 2.6Å |
| 292 | I | 98.2 | Very high | 95 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -52.7 | -52.6 | 176.8 | -68.2 | 169.4 | 0 | 0 | 0 | 110.3 | L273 I274 L277 A288 R294 I295 C296 V307 | L273-I292 HydrophobicContact CB-CD1 4.14Å; L273-I292 HydrophobicContact CB-CG1 3.75Å; L273-I292 HydrophobicContact CD1-CG1 4.22Å; I274-I292 HydrophobicContact CG1-CD1 4.01Å; L277-I292 HydrophobicContact CD1-CD1 3.67Å; L277-I292 HydrophobicContact CD2-CD1 4.14Å; L277-I292 HydrophobicContact CG-CD1 3.97Å; A288-I292 WeakPolarHBondContact O-CG1 3.34Å; A288-I292 PolarHBondContact O-N 3.47Å; I292-R294 VanDerWaalsContact C-N 3.32Å; I292-R294 PolarHBondContact O-N 3.45Å; I292-I295 PolarHBondContact O-N 3.44Å; I292-C296 VanDerWaalsContact O-CB 3.27Å; I292-C296 WeakPolarHBondContact O-CB 3.32Å; I292-C296 PolarHBondContact O-N 2.79Å; I292-C296 PolarHBondContact O-SG 2.83Å; I292-V307 HydrophobicContact CG2-CG1 3.73Å |
| 293 | G | 96.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.5 | -36.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114 | A289 G291 S297 R337 L339 | A289-G293 PolarHBondContact O-N 3.15Å; G291-G293 PolarHBondContact O-N 2.98Å; G293-S297 PolarHBondContact O-N 3.35Å; G293-R337 VanDerWaalsContact C-CD 3.43Å; G293-R337 WeakPolarHBondContact O-CD 3.36Å; G293-L339 VanDerWaalsContact O-CD1 3.32Å; G293-L339 WeakPolarHBondContact O-CD1 3.29Å |
| 294 | R | 95.2 | Very high | 94.9 | Very high | 58 Ų | 58 | 23.8 Ų | 23.8 | 22% | 0.219 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -72.4 | -42.2 | 176.6 | -73.9 | 179.5 | -168.4 | 128.9 | 13.3 | 112.5 | L191 K290 G291 I292 S297 R337 | L191-R294 HydrophobicContact CD1-CB 4.2Å; L191-R294 HydrophobicContact CD2-CB 4.09Å; K290-R294 VanDerWaalsContact O-CG 3.31Å; K290-R294 WeakPolarHBondContact O-CG 3.33Å; K290-R294 PolarHBondContact O-N 3.3Å; K290-R294 VanDerWaalsContact O-N 3.14Å; G291-R294 PolarHBondContact O-N 3.17Å; G291-R294 VanDerWaalsContact O-N 3.09Å; I292-R294 VanDerWaalsContact C-N 3.32Å; I292-R294 PolarHBondContact O-N 3.45Å; R294-S297 PolarHBondContact O-N 3.2Å; R294-S297 PolarHBondContact O-OG 3.35Å; R294-R337 VanDerWaalsContact CG-NH2 3.35Å |
| 295 | I | 95.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.8 | -48.2 | 179.4 | -67.4 | 171.7 | 0 | 0 | 0 | 109.1 | L191 V266 V269 I270 L273 G291 I292 S297 R298 L299 | L191-I295 HydrophobicContact CD2-CG1 4.02Å; L191-I295 HydrophobicContact CG-CG1 4.23Å; V266-I295 HydrophobicContact CG1-CG2 4.02Å; V269-I295 HydrophobicContact CG1-CD1 3.71Å; I270-I295 HydrophobicContact CD1-CG2 4.05Å; I270-I295 HydrophobicContact CG1-CG2 4.17Å; L273-I295 HydrophobicContact CD1-CD1 3.68Å; G291-I295 WeakPolarHBondContact O-CG1 3.41Å; G291-I295 PolarHBondContact O-N 2.6Å; I292-I295 PolarHBondContact O-N 3.44Å; I295-S297 PolarHBondContact O-N 3.02Å; I295-S297 VanDerWaalsContact O-N 3.09Å; I295-R298 WeakPolarHBondContact O-CA 3.39Å; I295-R298 PolarHBondContact O-N 3.47Å; I295-L299 HydrophobicContact CG2-CD1 4.3Å; I295-L299 HydrophobicContact CG2-CG 4.47Å |
| 296 | C | 95.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -56.9 | -28.8 | 177.2 | -68.9 | 0 | 0 | 0 | 0 | 113.4 | I292 R298 L299 V304 L334 L339 | I292-C296 VanDerWaalsContact O-CB 3.27Å; I292-C296 WeakPolarHBondContact O-CB 3.32Å; I292-C296 PolarHBondContact O-N 2.79Å; I292-C296 PolarHBondContact O-SG 2.83Å; C296-R298 PolarHBondContact O-N 2.8Å; C296-R298 VanDerWaalsContact O-N 3.08Å; C296-L299 PolarHBondContact O-N 3.08Å; C296-L299 VanDerWaalsContact O-N 3.16Å; C296-V304 HydrophobicContact CB-CG1 4.45Å; C296-V304 HydrophobicContact CB-CG2 3.85Å; C296-V304 WeakPolarHBondContact O-CG2 3.36Å; C296-L334 HydrophobicContact CB-CD2 3.92Å; C296-L339 HydrophobicContact CB-CD1 3.71Å |
| 297 | S | 92.4 | Very high | 94.9 | Very high | 28 Ų | 28 | 26.3 Ų | 26.3 | 20% | 0.196 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -5.9 | 173.8 | 69.3 | 0 | 0 | 0 | 0 | 115.1 | G293 R294 I295 | G293-S297 PolarHBondContact O-N 3.35Å; R294-S297 PolarHBondContact O-N 3.2Å; R294-S297 PolarHBondContact O-OG 3.35Å; I295-S297 PolarHBondContact O-N 3.02Å; I295-S297 VanDerWaalsContact O-N 3.09Å |
| 298 | R | 91.7 | Very high | 94.9 | Very high | 63 Ų | 63 | 25.9 Ų | 25.9 | 24% | 0.238 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.8 | 10.4 | 176.7 | -57.1 | -176.5 | -177.9 | -177.4 | 5.8 | 113.4 | L191 C194 I197 I295 C296 | L191-R298 PolarHBondContact O-NH1 3.39Å; C194-R298 HydrophobicContact CB-CB 3.64Å; C194-R298 HydrophobicContact CB-CG 4.27Å; C194-R298 WeakPolarHBondContact O-CD 3.37Å; C194-R298 PolarHBondContact O-NH1 3.26Å; I197-R298 WeakPolarHBondContact CD1-O 3.48Å; I197-R298 HydrophobicContact CG1-CB 4.28Å; I295-R298 WeakPolarHBondContact O-CA 3.39Å; I295-R298 PolarHBondContact O-N 3.47Å; C296-R298 PolarHBondContact O-N 2.8Å; C296-R298 VanDerWaalsContact O-N 3.08Å |
| 299 | L | 91.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -105.3 | 165.8 | 179.8 | -56.9 | -177 | 0 | 0 | 0 | 111.7 | W201 F260 V266 I270 I295 C296 M303 V304 | W201-L299 WeakPolarHBondContact CZ2-O 3.1Å; W201-L299 PolarHBondContact NE1-O 3.19Å; W201-L299 VanDerWaalsContact NE1-O 3.15Å; F260-L299 HydrophobicContact CE1-CD2 3.77Å; F260-L299 HydrophobicContact CZ-CD2 3.73Å; V266-L299 HydrophobicContact CG1-CD2 4.03Å; I270-L299 HydrophobicContact CD1-CD1 3.8Å; I295-L299 HydrophobicContact CG2-CD1 4.3Å; I295-L299 HydrophobicContact CG2-CG 4.47Å; C296-L299 PolarHBondContact O-N 3.08Å; C296-L299 VanDerWaalsContact O-N 3.16Å; L299-M303 HydrophobicContact CB-CB 4.08Å; L299-M303 HydrophobicContact CB-SD 4.38Å; L299-M303 HydrophobicContact CD1-CB 4.16Å; L299-M303 HydrophobicContact CD1-CE 4.45Å; L299-M303 HydrophobicContact CD2-CE 3.97Å; L299-M303 HydrophobicContact CD2-SD 4.28Å; L299-V304 HydrophobicContact CB-CG2 3.94Å |
| 300 | S | 90 | Very high | 94.9 | Very high | 32 Ų | 32 | 30 Ų | 30 | 22% | 0.224 | 17% | 0.17 | C | C | . | . | trans | -71.1 | 158.3 | 168.7 | 67.7 | 0 | 0 | 0 | 0 | 111.1 | S302 M303 V304 | S300-S302 VanDerWaalsContact C-N 3.26Å; S300-S302 PolarHBondContact O-N 3.26Å; S300-S302 PolarHBondContact OG-OG 3.33Å; S300-S302 VanDerWaalsContact OG-OG 3.14Å; S300-M303 PolarHBondContact O-N 2.92Å; S300-M303 WeakPolarHBondContact OG-CG 3.37Å; S300-V304 WeakPolarHBondContact O-CG2 3.32Å; S300-V304 PolarHBondContact O-N 2.84Å; S300-V304 VanDerWaalsContact O-N 3.11Å | ||
| 301 | S | 90.6 | Very high | 94.9 | Very high | 31 Ų | 31 | 27.2 Ų | 27.2 | 22% | 0.217 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.8 | -37.1 | 178.9 | -177.9 | 0 | 0 | 0 | 0 | 112.9 | V304 N305 | S301-V304 PolarHBondContact O-N 2.71Å; S301-N305 VanDerWaalsContact O-CG 3.26Å; S301-N305 PolarHBondContact O-N 2.89Å; S301-N305 PolarHBondContact O-ND2 3.33Å; S301-N305 VanDerWaalsContact O-ND2 3.12Å |
| 302 | S | 91.1 | Very high | 94.9 | Very high | 73 Ų | 73 | 28 Ų | 28 | 51% | 0.51 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -63 | -48.6 | 177.9 | 54.7 | 0 | 0 | 0 | 0 | 111.8 | S300 V304 N305 D306 | S300-S302 VanDerWaalsContact C-N 3.26Å; S300-S302 PolarHBondContact O-N 3.26Å; S300-S302 PolarHBondContact OG-OG 3.33Å; S300-S302 VanDerWaalsContact OG-OG 3.14Å; S302-V304 VanDerWaalsContact C-N 3.31Å; S302-V304 PolarHBondContact O-N 2.81Å; S302-N305 WeakPolarHBondContact O-CB 3.46Å; S302-N305 PolarHBondContact O-N 3.01Å; S302-D306 PolarHBondContact O-N 3.09Å; S302-D306 VanDerWaalsContact O-N 3.11Å |
| 303 | M | 92.5 | Very high | 94.9 | Very high | 36 Ų | 36 | 31.1 Ų | 31.1 | 18% | 0.177 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.9 | -38.4 | 178.9 | -65.2 | 172.6 | 81.6 | 0 | 0 | 111.8 | F260 T263 L299 S300 N305 D306 V307 | F260-M303 HydrophobicContact CE1-CE 4.37Å; F260-M303 HydrophobicContact CE1-SD 4.47Å; F260-M303 HydrophobicContact CZ-CE 4.15Å; T263-M303 HydrophobicContact CG2-CE 3.94Å; L299-M303 HydrophobicContact CB-CB 4.08Å; L299-M303 HydrophobicContact CB-SD 4.38Å; L299-M303 HydrophobicContact CD1-CB 4.16Å; L299-M303 HydrophobicContact CD1-CE 4.45Å; L299-M303 HydrophobicContact CD2-CE 3.97Å; L299-M303 HydrophobicContact CD2-SD 4.28Å; S300-M303 PolarHBondContact O-N 2.92Å; S300-M303 WeakPolarHBondContact OG-CG 3.37Å; M303-N305 VanDerWaalsContact C-N 3.27Å; M303-N305 PolarHBondContact O-N 3.12Å; M303-D306 PolarHBondContact O-N 3.42Å; M303-V307 WeakPolarHBondContact O-CG2 3.39Å; M303-V307 PolarHBondContact O-N 3.25Å |
| 304 | V | 94.3 | Very high | 94.9 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.012 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.6 | -33.6 | 175.2 | 176.6 | 0 | 0 | 0 | 0 | 111.6 | W201 C296 L299 S300 S301 S302 V307 L308 L339 | W201-V304 HydrophobicContact CH2-CB 3.96Å; W201-V304 HydrophobicContact CH2-CG1 4.08Å; W201-V304 HydrophobicContact CH2-CG2 3.73Å; W201-V304 HydrophobicContact CZ2-CB 4.43Å; W201-V304 HydrophobicContact CZ2-CG2 3.8Å; C296-V304 HydrophobicContact CB-CG1 4.45Å; C296-V304 HydrophobicContact CB-CG2 3.85Å; C296-V304 WeakPolarHBondContact O-CG2 3.36Å; L299-V304 HydrophobicContact CB-CG2 3.94Å; S300-V304 WeakPolarHBondContact O-CG2 3.32Å; S300-V304 PolarHBondContact O-N 2.84Å; S300-V304 VanDerWaalsContact O-N 3.11Å; S301-V304 PolarHBondContact O-N 2.71Å; S302-V304 VanDerWaalsContact C-N 3.31Å; S302-V304 PolarHBondContact O-N 2.81Å; V304-V307 PolarHBondContact O-N 3.49Å; V304-L308 WeakPolarHBondContact O-CB 3.42Å; V304-L308 PolarHBondContact O-N 3.49Å; V304-L339 HydrophobicContact CG1-CB 4.29Å |
| 305 | N | 95.4 | Very high | 95 | Very high | 38 Ų | 38 | 28.7 Ų | 28.7 | 20% | 0.203 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.4 | -37.2 | 174.5 | -69.2 | -37.4 | 0 | 0 | 0 | 112.1 | S301 S302 M303 L308 S309 K344 | S301-N305 VanDerWaalsContact O-CG 3.26Å; S301-N305 PolarHBondContact O-N 2.89Å; S301-N305 PolarHBondContact O-ND2 3.33Å; S301-N305 VanDerWaalsContact O-ND2 3.12Å; S302-N305 WeakPolarHBondContact O-CB 3.46Å; S302-N305 PolarHBondContact O-N 3.01Å; M303-N305 VanDerWaalsContact C-N 3.27Å; M303-N305 PolarHBondContact O-N 3.12Å; N305-L308 PolarHBondContact O-N 2.9Å; N305-S309 WeakPolarHBondContact O-CB 3.42Å; N305-S309 PolarHBondContact O-N 2.87Å; N305-S309 PolarHBondContact O-OG 2.7Å; N305-K344 WeakPolarHBondContact OD1-CE 3.38Å |
| 306 | D | 96.2 | Very high | 94.9 | Very high | 111 Ų | 111 | 31.3 Ų | 31.3 | 59% | 0.594 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -64 | -44.5 | 175 | -61 | -28.8 | 0 | 0 | 0 | 110.6 | S302 M303 L308 S309 A310 | S302-D306 PolarHBondContact O-N 3.09Å; S302-D306 VanDerWaalsContact O-N 3.11Å; M303-D306 PolarHBondContact O-N 3.42Å; D306-L308 PolarHBondContact O-N 3.22Å; D306-S309 WeakPolarHBondContact O-CB 3.46Å; D306-S309 PolarHBondContact O-N 3.44Å; D306-A310 PolarHBondContact O-N 3.32Å |
| 307 | V | 97.4 | Very high | 94.5 | Very high | 8 Ų | 8 | 41.5 Ų | 41.5 | 5% | 0.048 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.5 | -44.2 | 173.7 | 178.7 | 0 | 0 | 0 | 0 | 111.4 | I270 I292 M303 V304 S309 A310 V311 | I270-V307 HydrophobicContact CD1-CG2 3.96Å; I270-V307 HydrophobicContact CG2-CG1 4.47Å; I270-V307 HydrophobicContact CG2-CG2 3.84Å; I292-V307 HydrophobicContact CG2-CG1 3.73Å; M303-V307 WeakPolarHBondContact O-CG2 3.39Å; M303-V307 PolarHBondContact O-N 3.25Å; V304-V307 PolarHBondContact O-N 3.49Å; V307-S309 VanDerWaalsContact C-N 3.3Å; V307-S309 PolarHBondContact O-N 3.37Å; V307-A310 PolarHBondContact O-N 3.03Å; V307-V311 HydrophobicContact CG1-CG2 4.38Å; V307-V311 WeakPolarHBondContact O-CG2 3.48Å; V307-V311 PolarHBondContact O-N 3.49Å |
| 308 | L | 97.9 | Very high | 94.5 | Very high | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.4 | -43.7 | 176.9 | 177.3 | 61.4 | 0 | 0 | 0 | 110.9 | V304 N305 D306 A310 V311 L312 L331 L334 L340 K344 V348 | V304-L308 WeakPolarHBondContact O-CB 3.42Å; V304-L308 PolarHBondContact O-N 3.49Å; N305-L308 PolarHBondContact O-N 2.9Å; D306-L308 PolarHBondContact O-N 3.22Å; L308-A310 VanDerWaalsContact C-N 3.33Å; L308-A310 PolarHBondContact O-N 2.88Å; L308-V311 PolarHBondContact O-N 3.39Å; L308-V311 VanDerWaalsContact O-N 3.15Å; L308-L312 HydrophobicContact CD1-CD1 4.05Å; L308-L312 HydrophobicContact CD1-CG 4.07Å; L308-L312 HydrophobicContact CG-CD1 3.9Å; L308-L312 HydrophobicContact CG-CG 4.34Å; L308-L312 WeakPolarHBondContact O-CB 3.13Å; L308-L312 VanDerWaalsContact O-CG 3.29Å; L308-L312 WeakPolarHBondContact O-CG 3.25Å; L308-L312 PolarHBondContact O-N 3.11Å; L308-L331 HydrophobicContact CD1-CD2 3.57Å; L308-L334 HydrophobicContact CD1-CD1 4.22Å; L308-L340 HydrophobicContact CD1-CD1 4.06Å; L308-L340 HydrophobicContact CD2-CG 4.37Å; L308-K344 HydrophobicContact CD2-CB 3.86Å; L308-K344 HydrophobicContact CD2-CD 4.23Å; L308-K344 HydrophobicContact CD2-CG 3.86Å; L308-V348 HydrophobicContact CD1-CG2 4.2Å; L308-V348 HydrophobicContact CD2-CG2 4.36Å |
| 309 | S | 97.8 | Very high | 94.6 | Very high | 55 Ų | 55 | 47.1 Ų | 47.1 | 39% | 0.385 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.1 | -41.8 | 179.6 | -54.9 | 0 | 0 | 0 | 0 | 111.1 | N305 D306 V307 L312 S313 | N305-S309 WeakPolarHBondContact O-CB 3.42Å; N305-S309 PolarHBondContact O-N 2.87Å; N305-S309 PolarHBondContact O-OG 2.7Å; D306-S309 WeakPolarHBondContact O-CB 3.46Å; D306-S309 PolarHBondContact O-N 3.44Å; V307-S309 VanDerWaalsContact C-N 3.3Å; V307-S309 PolarHBondContact O-N 3.37Å; S309-L312 PolarHBondContact O-N 3.36Å; S309-S313 PolarHBondContact O-N 3.22Å |
| 310 | A | 97.8 | Very high | 94.6 | Very high | 32 Ų | 32 | 49.7 Ų | 49.7 | 26% | 0.264 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -68.4 | -30.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | I274 D306 V307 L308 S313 | I274-A310 HydrophobicContact CD1-CB 3.58Å; D306-A310 PolarHBondContact O-N 3.32Å; V307-A310 PolarHBondContact O-N 3.03Å; L308-A310 VanDerWaalsContact C-N 3.33Å; L308-A310 PolarHBondContact O-N 2.88Å; A310-S313 PolarHBondContact O-OG 2.78Å |
| 311 | V | 98.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -72 | -41.2 | 172.1 | 169 | 0 | 0 | 0 | 0 | 111 | L277 V307 L308 S313 L314 A327 A330 L331 | L277-V311 HydrophobicContact CD1-CG2 4.25Å; V307-V311 HydrophobicContact CG1-CG2 4.38Å; V307-V311 WeakPolarHBondContact O-CG2 3.48Å; V307-V311 PolarHBondContact O-N 3.49Å; L308-V311 PolarHBondContact O-N 3.39Å; L308-V311 VanDerWaalsContact O-N 3.15Å; V311-S313 VanDerWaalsContact C-N 3.32Å; V311-S313 PolarHBondContact O-N 3.24Å; V311-L314 VanDerWaalsContact O-CB 3.27Å; V311-L314 WeakPolarHBondContact O-CB 3.49Å; V311-L314 WeakPolarHBondContact O-CG 3.28Å; V311-L314 PolarHBondContact O-N 2.82Å; V311-A327 HydrophobicContact CG1-CB 4.03Å; V311-A330 HydrophobicContact CG1-CB 4.02Å; V311-A330 HydrophobicContact CG2-CB 4.22Å; V311-L331 HydrophobicContact CG1-CD2 4.19Å; V311-L331 HydrophobicContact CG1-CG 4.16Å |
| 312 | L | 98 | Very high | 95.1 | Very high | 18 Ų | 18 | 50.1 Ų | 50.1 | 9% | 0.094 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -69.3 | -29.3 | 179.6 | -68.9 | 172.1 | 0 | 0 | 0 | 112.5 | L308 S309 L314 C315 L331 E347 V348 V351 | L308-L312 HydrophobicContact CD1-CD1 4.05Å; L308-L312 HydrophobicContact CD1-CG 4.07Å; L308-L312 HydrophobicContact CG-CD1 3.9Å; L308-L312 HydrophobicContact CG-CG 4.34Å; L308-L312 WeakPolarHBondContact O-CB 3.13Å; L308-L312 VanDerWaalsContact O-CG 3.29Å; L308-L312 WeakPolarHBondContact O-CG 3.25Å; L308-L312 PolarHBondContact O-N 3.11Å; S309-L312 PolarHBondContact O-N 3.36Å; L312-L314 PolarHBondContact O-N 3.29Å; L312-C315 WeakPolarHBondContact O-CB 3.26Å; L312-C315 PolarHBondContact O-N 2.86Å; L312-L331 HydrophobicContact CD2-CD1 4.31Å; L312-L331 HydrophobicContact CD2-CD2 4.12Å; L312-E347 HydrophobicContact CD1-CG 3.81Å; L312-E347 VanDerWaalsContact CD1-OE1 3.24Å; L312-E347 WeakPolarHBondContact CD1-OE1 3.16Å; L312-V348 HydrophobicContact CD1-CG2 4.21Å; L312-V348 HydrophobicContact CD2-CG2 4.26Å; L312-V351 HydrophobicContact CD2-CB 4.41Å; L312-V351 HydrophobicContact CD2-CG1 4.48Å; L312-V351 HydrophobicContact CD2-CG2 4.04Å |
| 313 | S | 96.9 | Very high | 95.3 | Very high | 65 Ų | 65 | 46.6 Ų | 46.6 | 46% | 0.455 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -17.4 | 174.4 | 75.2 | 0 | 0 | 0 | 0 | 113.5 | S309 A310 V311 C315 T316 | S309-S313 PolarHBondContact O-N 3.22Å; A310-S313 PolarHBondContact O-OG 2.78Å; V311-S313 VanDerWaalsContact C-N 3.32Å; V311-S313 PolarHBondContact O-N 3.24Å; S313-C315 VanDerWaalsContact C-N 3.26Å; S313-C315 PolarHBondContact O-N 2.86Å; S313-T316 WeakPolarHBondContact O-CG2 3.49Å |
| 314 | L | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -17.1 | 171.4 | -53.9 | -171.2 | 0 | 0 | 0 | 113.3 | I274 L277 V311 L312 T316 E319 A323 A327 | I274-L314 HydrophobicContact CG2-CD1 4.34Å; I274-L314 HydrophobicContact CG2-CD2 4.41Å; L277-L314 HydrophobicContact CB-CD1 3.92Å; L277-L314 HydrophobicContact CD1-CD1 3.77Å; L277-L314 HydrophobicContact CG-CD1 4.49Å; V311-L314 VanDerWaalsContact O-CB 3.27Å; V311-L314 WeakPolarHBondContact O-CB 3.49Å; V311-L314 WeakPolarHBondContact O-CG 3.28Å; V311-L314 PolarHBondContact O-N 2.82Å; L312-L314 PolarHBondContact O-N 3.29Å; L314-T316 VanDerWaalsContact C-N 3.32Å; L314-T316 PolarHBondContact O-N 3.46Å; L314-E319 VanDerWaalsContact O-CB 3.22Å; L314-E319 WeakPolarHBondContact O-CB 3.23Å; L314-A323 HydrophobicContact CB-CB 4.36Å; L314-A327 HydrophobicContact CB-CB 3.92Å; L314-A327 HydrophobicContact CD1-CB 4.18Å |
| 315 | C | 96.5 | Very high | 95.8 | Very high | 7 Ų | 7 | 45.8 Ų | 45.8 | 5% | 0.047 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -96.1 | 51.1 | -174 | -63.2 | 0 | 0 | 0 | 0 | 111.8 | L312 S313 W324 A327 V351 | L312-C315 WeakPolarHBondContact O-CB 3.26Å; L312-C315 PolarHBondContact O-N 2.86Å; S313-C315 VanDerWaalsContact C-N 3.26Å; S313-C315 PolarHBondContact O-N 2.86Å; C315-W324 HydrophobicContact CB-CD2 4.3Å; C315-W324 HydrophobicContact CB-CE3 4.24Å; C315-W324 HydrophobicContact CB-CH2 4.19Å; C315-W324 HydrophobicContact CB-CZ2 4.24Å; C315-W324 HydrophobicContact CB-CZ3 4.18Å; C315-W324 WeakPolarHBondContact O-CZ2 3.2Å; C315-A327 WeakPolarHBondContact SG-CB 3.49Å; C315-V351 HydrophobicContact CB-CG1 3.5Å; C315-V351 HydrophobicContact CB-CG2 4.45Å; C315-V351 VanDerWaalsContact SG-CG1 3.53Å |
| 316 | T | 93.6 | Very high | 95.9 | Very high | 55 Ų | 55 | 44 Ų | 44 | 34% | 0.337 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -116.1 | 162.2 | 177.9 | 71.6 | 0 | 0 | 0 | 0 | 111.2 | S313 L314 L318 E319 W324 | S313-T316 WeakPolarHBondContact O-CG2 3.49Å; L314-T316 VanDerWaalsContact C-N 3.32Å; L314-T316 PolarHBondContact O-N 3.46Å; T316-L318 PolarHBondContact O-N 3.48Å; T316-E319 PolarHBondContact O-N 3.38Å; T316-W324 PolarHBondContact O-NE1 2.98Å |
| 317 | K | 88.4 | Confident | 96 | Very high | 214 Ų | 214 | 38.7 Ų | 38.7 | 93% | 0.93 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -13.5 | 177.7 | -69.8 | -177.8 | 175.1 | -179.4 | 0 | 113.9 | ||
| 318 | L | 91 | Very high | 96.1 | Very high | 169 Ų | 169 | 38.3 Ų | 38.3 | 89% | 0.885 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -17 | 178.9 | -61.3 | 176.2 | 0 | 0 | 0 | 112.2 | T316 | T316-L318 PolarHBondContact O-N 3.48Š|
| 319 | E | 94 | Very high | 96.1 | Very high | 40 Ų | 40 | 38.5 Ų | 38.5 | 19% | 0.187 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -94.3 | 142.2 | -178.2 | -72.4 | -79.9 | 178.3 | 0 | 0 | 110.7 | R278 L314 T316 A323 | R278-E319 IonicContact CZ-OE1 3.25Å; R278-E319 IonicContact CZ-OE2 3.46Å; R278-E319 IonicContact NE-OE1 3.42Å; R278-E319 PolarHBondContact NE-OE1 2.96Å; R278-E319 IonicContact NE-OE2 3.27Å; R278-E319 PolarHBondContact NE-OE2 3.33Å; R278-E319 IonicContact NH2-OE1 2.85Å; R278-E319 PolarHBondContact NH2-OE1 2.81Å; R278-E319 IonicContact NH2-OE2 2.76Å; L314-E319 VanDerWaalsContact O-CB 3.22Å; L314-E319 WeakPolarHBondContact O-CB 3.23Å; T316-E319 PolarHBondContact O-N 3.38Å; E319-A323 HydrophobicContact CB-CB 3.96Å; E319-A323 WeakPolarHBondContact OE2-CB 3.16Å |
| 320 | P | 92.5 | Very high | 96.1 | Very high | 54 Ų | 54 | 35.9 Ų | 35.9 | 35% | 0.351 | 19% | 0.19 | S | C | . | . | trans | -70.2 | 161.8 | -178.9 | 30.6 | -36.1 | 0 | 0 | 0 | 111.7 | T322 A323 W324 | P320-T322 PolarHBondContact O-N 2.88Å; P320-A323 HydrophobicContact CG-CB 4.29Å; P320-A323 WeakPolarHBondContact O-CB 3.38Å; P320-A323 PolarHBondContact O-N 3.34Å; P320-W324 PolarHBondContact O-N 3.21Å | ||
| 321 | Y | 94.6 | Very high | 96.2 | Very high | 59 Ų | 59 | 34.4 Ų | 34.4 | 23% | 0.231 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -51.5 | -27.6 | 175.2 | 79.4 | -85.1 | 0 | 0 | 0 | 114.4 | H325 Y358 E360 Y367 N370 V371 | Y321-H325 VanDerWaalsContact O-CB 3.28Å; Y321-H325 WeakPolarHBondContact O-CB 3.39Å; Y321-H325 PolarHBondContact O-N 3.32Å; Y321-Y358 WeakPolarHBondContact CA-OH 3.49Å; Y321-Y358 PolarHBondContact N-OH 3.33Å; Y321-E360 PolarHBondContact N-OE2 3.43Å; Y321-Y367 HydrophobicContact CD1-CD1 4.42Å; Y321-Y367 HydrophobicContact CD1-CG 4.09Å; Y321-Y367 AromaticContact CE1-CD1 3.88Å; Y321-Y367 HydrophobicContact CE1-CD1 3.88Å; Y321-Y367 AromaticContact CE1-CG 3.96Å; Y321-Y367 HydrophobicContact CE1-CG 3.96Å; Y321-Y367 HydrophobicContact CE2-CD1 4.44Å; Y321-Y367 AromaticContact CZ-CD1 3.9Å; Y321-N370 WeakPolarHBondContact CD2-ND2 3.39Å; Y321-N370 WeakPolarHBondContact CE2-ND2 3.29Å; Y321-V371 VanDerWaalsContact O-CG2 3.22Å; Y321-V371 WeakPolarHBondContact O-CG2 3.5Å |
| 322 | T | 95.4 | Very high | 96.1 | Very high | 13 Ų | 13 | 34.4 Ų | 34.4 | 8% | 0.08 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66 | -41.2 | 177.8 | 57.4 | 0 | 0 | 0 | 0 | 112 | L277 R278 R285 P320 H325 G326 | L277-T322 VanDerWaalsContact O-O 3.09Å; R278-T322 WeakPolarHBondContact O-CB 3.37Å; R278-T322 PolarHBondContact O-OG1 3.3Å; R285-T322 WeakPolarHBondContact CD-O 3.37Å; P320-T322 PolarHBondContact O-N 2.88Å; T322-H325 PolarHBondContact O-N 3.3Å; T322-G326 PolarHBondContact O-N 3.35Å |
| 323 | A | 96.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.6 | -46.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | R278 L314 E319 P320 H325 G326 A327 | R278-A323 HydrophobicContact CG-CB 3.88Å; L314-A323 HydrophobicContact CB-CB 4.36Å; E319-A323 HydrophobicContact CB-CB 3.96Å; E319-A323 WeakPolarHBondContact OE2-CB 3.16Å; P320-A323 HydrophobicContact CG-CB 4.29Å; P320-A323 WeakPolarHBondContact O-CB 3.38Å; P320-A323 PolarHBondContact O-N 3.34Å; A323-H325 VanDerWaalsContact C-N 3.33Å; A323-H325 PolarHBondContact O-N 3.03Å; A323-G326 PolarHBondContact O-N 2.89Å; A323-A327 VanDerWaalsContact O-CB 3.29Å; A323-A327 WeakPolarHBondContact O-CB 3.36Å; A323-A327 PolarHBondContact O-N 3.34Å |
| 324 | W | 97.7 | Very high | 96.1 | Very high | 11 Ų | 11 | 30.7 Ų | 30.7 | 4% | 0.042 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -56.9 | -45.8 | 173.8 | -83.2 | 77 | 0 | 0 | 0 | 112.4 | C315 T316 P320 A327 C328 R354 A355 Y358 V371 | C315-W324 HydrophobicContact CB-CD2 4.3Å; C315-W324 HydrophobicContact CB-CE3 4.24Å; C315-W324 HydrophobicContact CB-CH2 4.19Å; C315-W324 HydrophobicContact CB-CZ2 4.24Å; C315-W324 HydrophobicContact CB-CZ3 4.18Å; C315-W324 WeakPolarHBondContact O-CZ2 3.2Å; T316-W324 PolarHBondContact O-NE1 2.98Å; P320-W324 PolarHBondContact O-N 3.21Å; W324-A327 PolarHBondContact O-N 3.35Å; W324-C328 PolarHBondContact O-N 3.07Å; W324-C328 PolarHBondContact O-SG 3.49Å; W324-R354 HydrophobicContact CH2-CB 4.26Å; W324-R354 HydrophobicContact CZ3-CB 4.2Å; W324-A355 HydrophobicContact CE3-CB 4.45Å; W324-Y358 HydrophobicContact CB-CE2 4.29Å; W324-Y358 AromaticContact CD1-CE2 3.68Å; W324-Y358 AromaticContact CD2-CD2 3.61Å; W324-Y358 HydrophobicContact CD2-CD2 3.61Å; W324-Y358 AromaticContact CD2-CE2 3.47Å; W324-Y358 HydrophobicContact CD2-CE2 3.47Å; W324-Y358 VanDerWaalsContact CD2-CE2 3.47Å; W324-Y358 AromaticContact CE2-CD2 3.96Å; W324-Y358 AromaticContact CE2-CE2 3.54Å; W324-Y358 AromaticContact CE3-CD2 3.67Å; W324-Y358 HydrophobicContact CE3-CD2 3.67Å; W324-Y358 HydrophobicContact CE3-CE2 4.05Å; W324-Y358 HydrophobicContact CG-CD2 4.03Å; W324-Y358 AromaticContact CG-CE2 3.57Å; W324-Y358 HydrophobicContact CG-CE2 3.57Å; W324-Y358 HydrophobicContact CH2-CD2 4.37Å; W324-Y358 HydrophobicContact CZ2-CD2 4.32Å; W324-Y358 HydrophobicContact CZ2-CE2 4.15Å; W324-Y358 HydrophobicContact CZ3-CD2 4.06Å; W324-Y358 AromaticContact NE1-CE2 3.66Å; W324-V371 HydrophobicContact CB-CG1 3.85Å; W324-V371 HydrophobicContact CB-CG2 3.89Å; W324-V371 HydrophobicContact CE3-CG1 4.3Å |
| 325 | H | 97.8 | Very high | 96 | Very high | 10 Ų | 10 | 30.7 Ų | 30.7 | 5% | 0.046 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.8 | -48.7 | 178.2 | 178.9 | -137.3 | 0 | 0 | 0 | 111 | R285 Y321 T322 A323 A327 C328 L329 N370 V371 A374 | R285-H325 PolarHBondContact NE-ND1 3.04Å; R285-H325 PolarHBondContact NH2-ND1 2.76Å; Y321-H325 VanDerWaalsContact O-CB 3.28Å; Y321-H325 WeakPolarHBondContact O-CB 3.39Å; Y321-H325 PolarHBondContact O-N 3.32Å; T322-H325 PolarHBondContact O-N 3.3Å; A323-H325 VanDerWaalsContact C-N 3.33Å; A323-H325 PolarHBondContact O-N 3.03Å; H325-A327 VanDerWaalsContact C-N 3.34Å; H325-A327 PolarHBondContact O-N 3.39Å; H325-C328 PolarHBondContact O-N 2.94Å; H325-L329 WeakPolarHBondContact O-CG 3.48Å; H325-L329 PolarHBondContact O-N 3.1Å; H325-L329 VanDerWaalsContact O-N 3.07Å; H325-N370 PolarHBondContact CD2-O 3.15Å; H325-N370 PolarHBondContact ND1-ND2 3.39Å; H325-V371 HydrophobicContact CB-CG2 3.95Å; H325-A374 VanDerWaalsContact CD2-CB 3.44Å; H325-A374 WeakPolarHBondContact CD2-CB 3.49Å |
| 326 | G | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.4 | -42.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | T322 A323 L329 A330 | T322-G326 PolarHBondContact O-N 3.35Å; A323-G326 PolarHBondContact O-N 2.89Å; G326-L329 WeakPolarHBondContact O-CB 3.45Å; G326-L329 PolarHBondContact O-N 2.77Å; G326-A330 PolarHBondContact O-N 3.04Å |
| 327 | A | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.8 | -45.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | V311 L314 C315 A323 W324 H325 L329 A330 L331 | V311-A327 HydrophobicContact CG1-CB 4.03Å; L314-A327 HydrophobicContact CB-CB 3.92Å; L314-A327 HydrophobicContact CD1-CB 4.18Å; C315-A327 WeakPolarHBondContact SG-CB 3.49Å; A323-A327 VanDerWaalsContact O-CB 3.29Å; A323-A327 WeakPolarHBondContact O-CB 3.36Å; A323-A327 PolarHBondContact O-N 3.34Å; W324-A327 PolarHBondContact O-N 3.35Å; H325-A327 VanDerWaalsContact C-N 3.34Å; H325-A327 PolarHBondContact O-N 3.39Å; A327-L329 VanDerWaalsContact C-N 3.33Å; A327-L329 PolarHBondContact O-N 3.32Å; A327-A330 WeakPolarHBondContact O-CB 3.46Å; A327-A330 PolarHBondContact O-N 2.86Å; A327-A330 VanDerWaalsContact O-N 3.13Å; A327-L331 WeakPolarHBondContact O-CG 3.47Å; A327-L331 PolarHBondContact O-N 3.33Å |
| 328 | C | 98.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.3 | -43.2 | 174.9 | -68.1 | 0 | 0 | 0 | 0 | 111.9 | W324 H325 A330 L331 A332 A374 V378 | W324-C328 PolarHBondContact O-N 3.07Å; W324-C328 PolarHBondContact O-SG 3.49Å; H325-C328 PolarHBondContact O-N 2.94Å; C328-A330 VanDerWaalsContact C-N 3.32Å; C328-A330 PolarHBondContact O-N 3.12Å; C328-L331 PolarHBondContact O-N 3.07Å; C328-A332 PolarHBondContact O-N 3.34Å; C328-A374 HydrophobicContact CB-CB 3.6Å; C328-V378 HydrophobicContact CB-CG2 4.04Å; C328-V378 WeakPolarHBondContact O-CG2 3.32Å |
| 329 | L | 98.6 | Very high | 95.9 | Very high | 6 Ų | 6 | 17.5 Ų | 17.5 | 3% | 0.031 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -61.8 | -40 | 175.5 | -65.6 | 177.4 | 0 | 0 | 0 | 112.3 | R285 W286 A289 H325 G326 A327 A332 E333 A374 Y377 | R285-L329 HydrophobicContact CB-CD1 4.38Å; W286-L329 HydrophobicContact CB-CD1 4.35Å; W286-L329 HydrophobicContact CE3-CD1 3.89Å; W286-L329 HydrophobicContact CE3-CD2 3.54Å; W286-L329 HydrophobicContact CE3-CG 4.25Å; W286-L329 HydrophobicContact CZ3-CD2 3.53Å; A289-L329 HydrophobicContact CB-CB 3.68Å; H325-L329 WeakPolarHBondContact O-CG 3.48Å; H325-L329 PolarHBondContact O-N 3.1Å; H325-L329 VanDerWaalsContact O-N 3.07Å; G326-L329 WeakPolarHBondContact O-CB 3.45Å; G326-L329 PolarHBondContact O-N 2.77Å; A327-L329 VanDerWaalsContact C-N 3.33Å; A327-L329 PolarHBondContact O-N 3.32Å; L329-A332 PolarHBondContact O-N 2.97Å; L329-E333 PolarHBondContact O-N 3.4Å; L329-A374 HydrophobicContact CD2-CB 4.15Å; L329-A374 HydrophobicContact CG-CB 4.46Å; L329-Y377 HydrophobicContact CD2-CD1 4.05Å; L329-Y377 HydrophobicContact CD2-CE1 4.39Å |
| 330 | A | 98.6 | Very high | 95.9 | Very high | 1 Ų | 1 | 15.7 Ų | 15.7 | 1% | 0.008 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -66.5 | -44.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L277 A289 V311 G326 A327 C328 A332 E333 L334 | L277-A330 HydrophobicContact CD1-CB 3.92Å; L277-A330 HydrophobicContact CD2-CB 4.34Å; A289-A330 HydrophobicContact CB-CB 4.19Å; V311-A330 HydrophobicContact CG1-CB 4.02Å; V311-A330 HydrophobicContact CG2-CB 4.22Å; G326-A330 PolarHBondContact O-N 3.04Å; A327-A330 WeakPolarHBondContact O-CB 3.46Å; A327-A330 PolarHBondContact O-N 2.86Å; A327-A330 VanDerWaalsContact O-N 3.13Å; C328-A330 VanDerWaalsContact C-N 3.32Å; C328-A330 PolarHBondContact O-N 3.12Å; A330-A332 VanDerWaalsContact C-N 3.32Å; A330-A332 PolarHBondContact O-N 3.2Å; A330-E333 PolarHBondContact O-N 3Å; A330-E333 VanDerWaalsContact O-N 3.17Å; A330-L334 WeakPolarHBondContact O-CG 3.49Å; A330-L334 PolarHBondContact O-N 3.42Å |
| 331 | L | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -58.1 | -43.5 | 174.6 | -69.3 | 174.2 | 0 | 0 | 0 | 111.7 | L308 V311 L312 A327 C328 L334 G335 L340 V348 V378 | L308-L331 HydrophobicContact CD1-CD2 3.57Å; V311-L331 HydrophobicContact CG1-CD2 4.19Å; V311-L331 HydrophobicContact CG1-CG 4.16Å; L312-L331 HydrophobicContact CD2-CD1 4.31Å; L312-L331 HydrophobicContact CD2-CD2 4.12Å; A327-L331 WeakPolarHBondContact O-CG 3.47Å; A327-L331 PolarHBondContact O-N 3.33Å; C328-L331 PolarHBondContact O-N 3.07Å; L331-L334 PolarHBondContact O-N 3.43Å; L331-G335 PolarHBondContact O-N 2.9Å; L331-L340 HydrophobicContact CD2-CD1 4.19Å; L331-V348 HydrophobicContact CD1-CG1 4.21Å; L331-V348 HydrophobicContact CD2-CG1 4.08Å; L331-V378 HydrophobicContact CB-CG1 4.43Å; L331-V378 HydrophobicContact CB-CG2 4.25Å |
| 332 | A | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -63 | -41.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | C328 L329 A330 G335 R336 Y377 V378 A381 | C328-A332 PolarHBondContact O-N 3.34Å; L329-A332 PolarHBondContact O-N 2.97Å; A330-A332 VanDerWaalsContact C-N 3.32Å; A330-A332 PolarHBondContact O-N 3.2Å; A332-G335 PolarHBondContact O-N 3.28Å; A332-R336 VanDerWaalsContact O-CB 3.29Å; A332-R336 WeakPolarHBondContact O-CB 3.4Å; A332-R336 PolarHBondContact O-N 3.08Å; A332-Y377 HydrophobicContact CB-CD1 3.46Å; A332-Y377 VanDerWaalsContact CB-CD1 3.46Å; A332-Y377 HydrophobicContact CB-CE1 3.39Å; A332-Y377 HydrophobicContact CB-CG 4.32Å; A332-V378 HydrophobicContact CB-CG2 4.15Å; A332-A381 HydrophobicContact CB-CB 4Å |
| 333 | E | 97.4 | Very high | 95.7 | Very high | 5 Ų | 5 | 17.3 Ų | 17.3 | 2% | 0.023 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -67.7 | -38.2 | 176.1 | -80.8 | -67.2 | 139.1 | 0 | 0 | 112.8 | K290 L329 A330 R336 R337 | K290-E333 HydrophobicContact CG-CG 4.12Å; L329-E333 PolarHBondContact O-N 3.4Å; A330-E333 PolarHBondContact O-N 3Å; A330-E333 VanDerWaalsContact O-N 3.17Å; E333-R336 IonicContact OE1-NE 3.6Å; E333-R336 IonicContact OE1-NH2 3.27Å; E333-R336 IonicContact OE2-NH2 3.24Å; E333-R336 PolarHBondContact OE2-NH2 3.26Å; E333-R337 WeakPolarHBondContact O-CB 2.93Å; E333-R337 VanDerWaalsContact O-CD 3.26Å; E333-R337 WeakPolarHBondContact O-CD 3.27Å; E333-R337 WeakPolarHBondContact O-CG 3.43Å; E333-R337 PolarHBondContact O-N 2.86Å; E333-R337 IonicContact OE2-CZ 3.59Å; E333-R337 IonicContact OE2-NE 3.78Å; E333-R337 PolarHBondContact OE2-NE 3.33Å; E333-R337 IonicContact OE2-NH2 2.91Å; E333-R337 PolarHBondContact OE2-NH2 2.95Å |
| 334 | L | 96.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64.1 | -45.7 | 174 | -68.9 | 175.6 | 0 | 0 | 0 | 111.1 | C296 L308 A330 L331 R337 N338 L339 L340 | C296-L334 HydrophobicContact CB-CD2 3.92Å; L308-L334 HydrophobicContact CD1-CD1 4.22Å; A330-L334 WeakPolarHBondContact O-CG 3.49Å; A330-L334 PolarHBondContact O-N 3.42Å; L331-L334 PolarHBondContact O-N 3.43Å; L334-R337 PolarHBondContact O-N 3.49Å; L334-N338 PolarHBondContact O-N 2.98Å; L334-L339 HydrophobicContact CB-CB 4.49Å; L334-L339 HydrophobicContact CD2-CB 4.11Å; L334-L339 HydrophobicContact CD2-CD1 3.94Å; L334-L339 PolarHBondContact O-N 3.19Å; L334-L340 HydrophobicContact CB-CB 4.35Å |
| 335 | G | 93.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.9 | -52.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L331 A332 R337 N338 A385 | L331-G335 PolarHBondContact O-N 2.9Å; A332-G335 PolarHBondContact O-N 3.28Å; G335-R337 PolarHBondContact O-N 2.85Å; G335-R337 VanDerWaalsContact O-N 3.07Å; G335-N338 WeakPolarHBondContact O-CA 3.37Å; G335-N338 PolarHBondContact O-N 3.14Å; G335-A385 WeakPolarHBondContact O-CB 3.47Å |
| 336 | R | 90.7 | Very high | 95.5 | Very high | 96 Ų | 96 | 22.3 Ų | 22.3 | 36% | 0.362 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -60.6 | -24.1 | -178 | -166.5 | -176.5 | 65.8 | 70.5 | 7.2 | 113.4 | A332 E333 A381 | A332-R336 VanDerWaalsContact O-CB 3.29Å; A332-R336 WeakPolarHBondContact O-CB 3.4Å; A332-R336 PolarHBondContact O-N 3.08Å; E333-R336 IonicContact OE1-NE 3.6Å; E333-R336 IonicContact OE1-NH2 3.27Å; E333-R336 IonicContact OE2-NH2 3.24Å; E333-R336 PolarHBondContact OE2-NH2 3.26Å; R336-A381 HydrophobicContact CB-CB 4.48Å |
| 337 | R | 91.1 | Very high | 95.4 | Very high | 54 Ų | 54 | 26.6 Ų | 26.6 | 20% | 0.204 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 5 | 176.9 | -66.1 | 170.5 | 179.4 | -85.6 | -11.1 | 113.3 | G293 R294 E333 L334 G335 L339 | G293-R337 VanDerWaalsContact C-CD 3.43Å; G293-R337 WeakPolarHBondContact O-CD 3.36Å; R294-R337 VanDerWaalsContact CG-NH2 3.35Å; E333-R337 WeakPolarHBondContact O-CB 2.93Å; E333-R337 VanDerWaalsContact O-CD 3.26Å; E333-R337 WeakPolarHBondContact O-CD 3.27Å; E333-R337 WeakPolarHBondContact O-CG 3.43Å; E333-R337 PolarHBondContact O-N 2.86Å; E333-R337 IonicContact OE2-CZ 3.59Å; E333-R337 IonicContact OE2-NE 3.78Å; E333-R337 PolarHBondContact OE2-NE 3.33Å; E333-R337 IonicContact OE2-NH2 2.91Å; E333-R337 PolarHBondContact OE2-NH2 2.95Å; L334-R337 PolarHBondContact O-N 3.49Å; G335-R337 PolarHBondContact O-N 2.85Å; G335-R337 VanDerWaalsContact O-N 3.07Å; R337-L339 HydrophobicContact CB-CD1 3.72Å; R337-L339 HydrophobicContact CB-CG 3.78Å; R337-L339 PolarHBondContact O-N 3.31Å |
| 338 | N | 92.2 | Very high | 95.4 | Very high | 15 Ų | 15 | 26.6 Ų | 26.6 | 8% | 0.08 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 29.3 | -179.1 | -51.1 | -22.4 | 0 | 0 | 0 | 114.1 | Y203 R208 L334 G335 | Y203-N338 PolarHBondContact N-O 3.02Å; Y203-N338 WeakPolarHBondContact O-CB 3.28Å; Y203-N338 PolarHBondContact O-ND2 2.87Å; Y203-N338 VanDerWaalsContact O-ND2 3.15Å; R208-N338 PolarHBondContact NH2-ND2 2.75Å; R208-N338 PolarHBondContact NH2-OD1 2.96Å; L334-N338 PolarHBondContact O-N 2.98Å; G335-N338 WeakPolarHBondContact O-CA 3.37Å; G335-N338 PolarHBondContact O-N 3.14Å |
| 339 | L | 93.9 | Very high | 95.3 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | trans | -91.5 | -18.7 | -178.4 | -59.7 | 171.3 | 0 | 0 | 0 | 112.6 | W201 Q202 G293 C296 V304 L334 R337 | W201-L339 HydrophobicContact CH2-CB 4.28Å; W201-L339 HydrophobicContact CH2-CD2 3.84Å; W201-L339 HydrophobicContact CZ2-CD2 4.16Å; W201-L339 WeakPolarHBondContact CZ3-O 3.37Å; Q202-L339 HydrophobicContact CG-CD2 3.93Å; G293-L339 VanDerWaalsContact O-CD1 3.32Å; G293-L339 WeakPolarHBondContact O-CD1 3.29Å; C296-L339 HydrophobicContact CB-CD1 3.71Å; V304-L339 HydrophobicContact CG1-CB 4.29Å; L334-L339 HydrophobicContact CB-CB 4.49Å; L334-L339 HydrophobicContact CD2-CB 4.11Å; L334-L339 HydrophobicContact CD2-CD1 3.94Å; L334-L339 PolarHBondContact O-N 3.19Å; R337-L339 HydrophobicContact CB-CD1 3.72Å; R337-L339 HydrophobicContact CB-CG 3.78Å; R337-L339 PolarHBondContact O-N 3.31Å | ||
| 340 | L | 93.8 | Very high | 95.3 | Very high | 3 Ų | 3 | 29.1 Ų | 29.1 | 2% | 0.016 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -93.4 | 113.7 | 174.8 | -165.2 | 156.9 | 0 | 0 | 0 | 107.4 | L308 L331 L334 K344 L345 V348 F382 Y386 | L308-L340 HydrophobicContact CD1-CD1 4.06Å; L308-L340 HydrophobicContact CD2-CG 4.37Å; L331-L340 HydrophobicContact CD2-CD1 4.19Å; L334-L340 HydrophobicContact CB-CB 4.35Å; L340-K344 HydrophobicContact CD2-CB 3.93Å; L340-K344 HydrophobicContact CG-CB 4.36Å; L340-L345 HydrophobicContact CD2-CD2 3.96Å; L340-V348 HydrophobicContact CD1-CG1 4.17Å; L340-V348 HydrophobicContact CD1-CG2 3.92Å; L340-V348 HydrophobicContact CD2-CG2 4.28Å; L340-V348 HydrophobicContact CG-CG2 4.48Å; L340-F382 HydrophobicContact CD1-CZ 4.03Å; L340-Y386 WeakPolarHBondContact CB-OH 3.34Å; L340-Y386 WeakPolarHBondContact CD2-OH 3.24Å; L340-Y386 VanDerWaalsContact O-CE1 3.3Å; L340-Y386 WeakPolarHBondContact O-CE1 3.39Å; L340-Y386 PolarHBondContact O-OH 2.68Å |
| 341 | L | 93.4 | Very high | 95.3 | Very high | 36 Ų | 36 | 29.5 Ų | 29.5 | 19% | 0.188 | 16% | 0.157 | C | C | . | . | trans | -76.7 | 150.7 | -177.6 | -62.6 | -179.5 | 0 | 0 | 0 | 111.1 | W201 S343 K344 | W201-L341 HydrophobicContact CE3-CD1 4.39Å; W201-L341 HydrophobicContact CE3-CD2 4.09Å; W201-L341 HydrophobicContact CE3-CG 4.39Å; W201-L341 HydrophobicContact CZ3-CD2 4.29Å; W201-L341 HydrophobicContact CZ3-CG 4.38Å; W201-L341 WeakPolarHBondContact O-CD2 3.43Å; L341-S343 PolarHBondContact O-N 2.89Å; L341-S343 VanDerWaalsContact O-N 3.1Å; L341-K344 WeakPolarHBondContact O-CB 3.31Å; L341-K344 PolarHBondContact O-N 3.17Å | ||
| 342 | P | 92.4 | Very high | 95.2 | Very high | 32 Ų | 32 | 29.6 Ų | 29.6 | 21% | 0.208 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -50.5 | -35.6 | 175.5 | -30.7 | 36.4 | 0 | 0 | 0 | 114.5 | Y203 K344 L345 Y386 D390 | Y203-P342 VanDerWaalsContact CD2-CD 3.49Å; Y203-P342 HydrophobicContact CD2-CG 3.48Å; Y203-P342 VanDerWaalsContact CD2-CG 3.48Å; Y203-P342 HydrophobicContact CE2-CG 3.41Å; Y203-P342 VanDerWaalsContact CE2-CG 3.41Å; Y203-P342 HydrophobicContact CG-CG 4.38Å; P342-K344 PolarHBondContact O-N 3.43Å; P342-K344 VanDerWaalsContact O-N 3.07Å; P342-L345 HydrophobicContact CB-CD1 4.42Å; P342-L345 VanDerWaalsContact O-CB 3.3Å; P342-L345 WeakPolarHBondContact O-CB 3.3Å; P342-L345 WeakPolarHBondContact O-CG 3.09Å; P342-L345 PolarHBondContact O-N 2.86Å; P342-Y386 HydrophobicContact CG-CD1 4.28Å; P342-Y386 HydrophobicContact CG-CE1 4.47Å; P342-D390 HydrophobicContact CB-CB 4.1Å; P342-D390 HydrophobicContact CG-CB 4.17Å |
| 343 | S | 94 | Very high | 95.3 | Very high | 91 Ų | 91 | 31.5 Ų | 31.5 | 64% | 0.636 | 17% | 0.168 | S | C | * | . | G | 310 helix | trans | -61 | -16.5 | 176.7 | 57.6 | 0 | 0 | 0 | 0 | 114.5 | L341 | L341-S343 PolarHBondContact O-N 2.89Å; L341-S343 VanDerWaalsContact O-N 3.1Å |
| 344 | K | 95.6 | Very high | 95.2 | Very high | 50 Ų | 50 | 37.2 Ų | 37.2 | 22% | 0.217 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -95.1 | -9.8 | 176.1 | -62.2 | -57.3 | -168.7 | 172.6 | 0 | 113.7 | N305 L308 L340 L341 P342 P346 E347 V348 | N305-K344 WeakPolarHBondContact OD1-CE 3.38Å; L308-K344 HydrophobicContact CD2-CB 3.86Å; L308-K344 HydrophobicContact CD2-CD 4.23Å; L308-K344 HydrophobicContact CD2-CG 3.86Å; L340-K344 HydrophobicContact CD2-CB 3.93Å; L340-K344 HydrophobicContact CG-CB 4.36Å; L341-K344 WeakPolarHBondContact O-CB 3.31Å; L341-K344 PolarHBondContact O-N 3.17Å; P342-K344 PolarHBondContact O-N 3.43Å; P342-K344 VanDerWaalsContact O-N 3.07Å; K344-P346 VanDerWaalsContact C-CD 3.42Å; K344-E347 PolarHBondContact O-N 3.42Å; K344-V348 VanDerWaalsContact O-CG2 3.26Å; K344-V348 WeakPolarHBondContact O-CG2 3.19Å; K344-V348 PolarHBondContact O-N 3.07Å; K344-V348 VanDerWaalsContact O-N 3.16Å |
| 345 | L | 95.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.8 | -38.4 | 176.8 | -65.7 | 175.5 | 0 | 0 | 0 | 114 | L340 P342 E347 V348 I349 F382 Y386 F391 Y394 | L340-L345 HydrophobicContact CD2-CD2 3.96Å; P342-L345 HydrophobicContact CB-CD1 4.42Å; P342-L345 VanDerWaalsContact O-CB 3.3Å; P342-L345 WeakPolarHBondContact O-CB 3.3Å; P342-L345 WeakPolarHBondContact O-CG 3.09Å; P342-L345 PolarHBondContact O-N 2.86Å; L345-E347 PolarHBondContact O-N 3.47Å; L345-V348 PolarHBondContact O-N 3.31Å; L345-V348 VanDerWaalsContact O-N 3.16Å; L345-I349 HydrophobicContact CB-CG1 4.21Å; L345-I349 HydrophobicContact CD2-CD1 4.28Å; L345-I349 HydrophobicContact CD2-CG1 4.35Å; L345-I349 WeakPolarHBondContact O-CB 3.4Å; L345-I349 VanDerWaalsContact O-CG1 3.31Å; L345-I349 WeakPolarHBondContact O-CG1 3.4Å; L345-I349 PolarHBondContact O-N 3.09Å; L345-F382 HydrophobicContact CD2-CD2 4.31Å; L345-F382 HydrophobicContact CD2-CE2 4.11Å; L345-Y386 HydrophobicContact CD1-CD1 4.31Å; L345-Y386 HydrophobicContact CD1-CE1 4.39Å; L345-Y386 HydrophobicContact CD1-CG 4.44Å; L345-Y386 HydrophobicContact CD2-CD2 4.39Å; L345-Y386 HydrophobicContact CD2-CE1 4.31Å; L345-Y386 HydrophobicContact CD2-CE2 3.82Å; L345-F391 HydrophobicContact CD1-CD2 4Å; L345-F391 HydrophobicContact CD1-CE2 4.43Å; L345-F391 HydrophobicContact CD2-CE2 4.38Å; L345-Y394 HydrophobicContact CB-CD2 4.32Å; L345-Y394 HydrophobicContact CB-CE2 3.5Å; L345-Y394 VanDerWaalsContact CB-CE2 3.5Å; L345-Y394 HydrophobicContact CD1-CD2 4.28Å; L345-Y394 HydrophobicContact CD1-CE2 3.85Å; L345-Y394 HydrophobicContact CG-CE2 4.3Å |
| 346 | P | 96.9 | Very high | 95.5 | Very high | 77 Ų | 77 | 37.2 Ų | 37.2 | 50% | 0.5 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -58.3 | -31 | 176.7 | -23.1 | 30.7 | 0 | 0 | 0 | 114 | K344 P350 Y394 | K344-P346 VanDerWaalsContact C-CD 3.42Å; P346-P350 WeakPolarHBondContact O-CD 3.3Å; P346-P350 VanDerWaalsContact O-CG 3.31Å; P346-P350 WeakPolarHBondContact O-CG 3.04Å; P346-Y394 VanDerWaalsContact CD-OH 3.22Å; P346-Y394 WeakPolarHBondContact CD-OH 3.46Å; P346-Y394 VanDerWaalsContact CG-OH 3.25Å; P346-Y394 WeakPolarHBondContact CG-OH 3.33Å |
| 347 | E | 96.2 | Very high | 95.8 | Very high | 89 Ų | 89 | 35.7 Ų | 35.7 | 42% | 0.416 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -81.7 | -37.4 | 178.7 | -165.7 | -175.6 | 167.9 | 0 | 0 | 111.5 | L312 K344 L345 | L312-E347 HydrophobicContact CD1-CG 3.81Å; L312-E347 VanDerWaalsContact CD1-OE1 3.24Å; L312-E347 WeakPolarHBondContact CD1-OE1 3.16Å; K344-E347 PolarHBondContact O-N 3.42Å; L345-E347 PolarHBondContact O-N 3.47Å |
| 348 | V | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -86.8 | -42.4 | -170.2 | 175.6 | 0 | 0 | 0 | 0 | 112.5 | L308 L312 L331 L340 K344 L345 V351 V352 F382 | L308-V348 HydrophobicContact CD1-CG2 4.2Å; L308-V348 HydrophobicContact CD2-CG2 4.36Å; L312-V348 HydrophobicContact CD1-CG2 4.21Å; L312-V348 HydrophobicContact CD2-CG2 4.26Å; L331-V348 HydrophobicContact CD1-CG1 4.21Å; L331-V348 HydrophobicContact CD2-CG1 4.08Å; L340-V348 HydrophobicContact CD1-CG1 4.17Å; L340-V348 HydrophobicContact CD1-CG2 3.92Å; L340-V348 HydrophobicContact CD2-CG2 4.28Å; L340-V348 HydrophobicContact CG-CG2 4.48Å; K344-V348 VanDerWaalsContact O-CG2 3.26Å; K344-V348 WeakPolarHBondContact O-CG2 3.19Å; K344-V348 PolarHBondContact O-N 3.07Å; K344-V348 VanDerWaalsContact O-N 3.16Å; L345-V348 PolarHBondContact O-N 3.31Å; L345-V348 VanDerWaalsContact O-N 3.16Å; V348-V351 WeakPolarHBondContact O-CB 3.34Å; V348-V351 PolarHBondContact O-N 3.19Å; V348-V352 HydrophobicContact CG1-CG2 4.11Å; V348-V352 WeakPolarHBondContact O-CG2 3.32Å; V348-V352 PolarHBondContact O-N 3.05Å; V348-V352 VanDerWaalsContact O-N 3.08Å; V348-F382 HydrophobicContact CG1-CE2 3.89Å; V348-F382 HydrophobicContact CG1-CZ 3.89Å |
| 349 | I | 97.5 | Very high | 95.8 | Very high | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.3 | -43.4 | -176.1 | -66.4 | -56 | 0 | 0 | 0 | 112.5 | L345 V351 V352 L353 F382 F391 Y394 I398 | L345-I349 HydrophobicContact CB-CG1 4.21Å; L345-I349 HydrophobicContact CD2-CD1 4.28Å; L345-I349 HydrophobicContact CD2-CG1 4.35Å; L345-I349 WeakPolarHBondContact O-CB 3.4Å; L345-I349 VanDerWaalsContact O-CG1 3.31Å; L345-I349 WeakPolarHBondContact O-CG1 3.4Å; L345-I349 PolarHBondContact O-N 3.09Å; I349-V351 PolarHBondContact O-N 3.48Å; I349-V352 PolarHBondContact O-N 3.13Å; I349-V352 VanDerWaalsContact O-N 3.08Å; I349-L353 HydrophobicContact CG2-CD1 3.98Å; I349-L353 HydrophobicContact CG2-CG 4.1Å; I349-L353 WeakPolarHBondContact O-CG 3.45Å; I349-L353 PolarHBondContact O-N 3.05Å; I349-F382 HydrophobicContact CD1-CD2 3.95Å; I349-F382 HydrophobicContact CD1-CE2 4.02Å; I349-F391 HydrophobicContact CD1-CE2 4.11Å; I349-F391 HydrophobicContact CD1-CZ 4.23Å; I349-Y394 HydrophobicContact CB-CD1 3.94Å; I349-Y394 HydrophobicContact CB-CE1 4.24Å; I349-Y394 HydrophobicContact CB-CG 4.38Å; I349-Y394 HydrophobicContact CG1-CD1 3.83Å; I349-Y394 HydrophobicContact CG1-CD2 4.13Å; I349-Y394 HydrophobicContact CG1-CE1 4.15Å; I349-Y394 HydrophobicContact CG1-CE2 4.44Å; I349-Y394 HydrophobicContact CG1-CG 3.81Å; I349-Y394 HydrophobicContact CG2-CD1 3.73Å; I349-Y394 HydrophobicContact CG2-CE1 4.46Å; I349-Y394 HydrophobicContact CG2-CG 4.16Å; I349-I398 HydrophobicContact CD1-CD1 4.03Å; I349-I398 HydrophobicContact CG2-CD1 4.42Å |
| 350 | P | 97.7 | Very high | 95.4 | Very high | 56 Ų | 56 | 40.4 Ų | 40.4 | 36% | 0.364 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -58.3 | -33.3 | 175.1 | -26.8 | 36.4 | 0 | 0 | 0 | 113.9 | P346 R354 | P346-P350 WeakPolarHBondContact O-CD 3.3Å; P346-P350 VanDerWaalsContact O-CG 3.31Å; P346-P350 WeakPolarHBondContact O-CG 3.04Å; P350-R354 WeakPolarHBondContact O-CG 3.34Å; P350-R354 PolarHBondContact O-N 3.4Å; P350-R354 PolarHBondContact O-NH1 3.46Å |
| 351 | V | 97.9 | Very high | 94.6 | Very high | 9 Ų | 9 | 47.5 Ų | 47.5 | 6% | 0.055 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.8 | -44.6 | 174.7 | 173.4 | 0 | 0 | 0 | 0 | 110.7 | L312 C315 V348 I349 R354 A355 | L312-V351 HydrophobicContact CD2-CB 4.41Å; L312-V351 HydrophobicContact CD2-CG1 4.48Å; L312-V351 HydrophobicContact CD2-CG2 4.04Å; C315-V351 HydrophobicContact CB-CG1 3.5Å; C315-V351 HydrophobicContact CB-CG2 4.45Å; C315-V351 VanDerWaalsContact SG-CG1 3.53Å; V348-V351 WeakPolarHBondContact O-CB 3.34Å; V348-V351 PolarHBondContact O-N 3.19Å; I349-V351 PolarHBondContact O-N 3.48Å; V351-R354 PolarHBondContact O-N 3.37Å; V351-A355 PolarHBondContact O-N 2.99Å |
| 352 | V | 98 | Very high | 93.7 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.8 | -44.6 | 178 | 178.1 | 0 | 0 | 0 | 0 | 111.2 | V348 I349 R354 A355 L356 V378 | V348-V352 HydrophobicContact CG1-CG2 4.11Å; V348-V352 WeakPolarHBondContact O-CG2 3.32Å; V348-V352 PolarHBondContact O-N 3.05Å; V348-V352 VanDerWaalsContact O-N 3.08Å; I349-V352 PolarHBondContact O-N 3.13Å; I349-V352 VanDerWaalsContact O-N 3.08Å; V352-R354 VanDerWaalsContact C-N 3.3Å; V352-R354 PolarHBondContact O-N 3.06Å; V352-A355 WeakPolarHBondContact O-CB 3.46Å; V352-A355 PolarHBondContact O-N 3.06Å; V352-A355 VanDerWaalsContact O-N 3.08Å; V352-L356 WeakPolarHBondContact O-CG 3.19Å; V352-L356 PolarHBondContact O-N 3.48Å; V352-V378 HydrophobicContact CG1-CB 4.17Å; V352-V378 HydrophobicContact CG1-CG1 4.22Å; V352-V378 HydrophobicContact CG2-CB 4.24Å; V352-V378 HydrophobicContact CG2-CG1 3.62Å |
| 353 | L | 98.1 | Very high | 92.8 | Very high | 40 Ų | 40 | 49.8 Ų | 49.8 | 21% | 0.209 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.8 | -37.7 | 177.3 | -65.8 | 177.4 | 0 | 0 | 0 | 111.9 | I349 L356 F357 P397 I398 S401 | I349-L353 HydrophobicContact CG2-CD1 3.98Å; I349-L353 HydrophobicContact CG2-CG 4.1Å; I349-L353 WeakPolarHBondContact O-CG 3.45Å; I349-L353 PolarHBondContact O-N 3.05Å; L353-L356 HydrophobicContact CD2-CD1 4.33Å; L353-F357 WeakPolarHBondContact O-CD2 3.38Å; L353-P397 HydrophobicContact CD1-CB 3.89Å; L353-P397 HydrophobicContact CD2-CB 4.49Å; L353-I398 HydrophobicContact CD2-CG1 3.98Å; L353-S401 WeakPolarHBondContact CD2-OG 3.3Å |
| 354 | R | 97.1 | Very high | 91.3 | Very high | 126 Ų | 126 | 52 Ų | 52 | 48% | 0.475 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67.6 | -39.2 | 171.7 | -71 | -168.6 | -56.2 | -88.9 | 9.5 | 112.3 | W324 P350 V351 V352 L356 F357 Y358 | W324-R354 HydrophobicContact CH2-CB 4.26Å; W324-R354 HydrophobicContact CZ3-CB 4.2Å; P350-R354 WeakPolarHBondContact O-CG 3.34Å; P350-R354 PolarHBondContact O-N 3.4Å; P350-R354 PolarHBondContact O-NH1 3.46Å; V351-R354 PolarHBondContact O-N 3.37Å; V352-R354 VanDerWaalsContact C-N 3.3Å; V352-R354 PolarHBondContact O-N 3.06Å; R354-L356 VanDerWaalsContact C-N 3.3Å; R354-L356 PolarHBondContact O-N 3.37Å; R354-F357 CarbonylContact O-C 3.59Å; R354-F357 PolarHBondContact O-N 3.44Å; R354-F357 VanDerWaalsContact O-N 3.16Å; R354-Y358 PolarHBondContact O-N 2.98Å |
| 355 | A | 97.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.7 | -36.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | W324 V351 V352 F357 Y358 V371 R372 | W324-A355 HydrophobicContact CE3-CB 4.45Å; V351-A355 PolarHBondContact O-N 2.99Å; V352-A355 WeakPolarHBondContact O-CB 3.46Å; V352-A355 PolarHBondContact O-N 3.06Å; V352-A355 VanDerWaalsContact O-N 3.08Å; A355-F357 PolarHBondContact O-N 3.43Å; A355-Y358 WeakPolarHBondContact O-CB 3.46Å; A355-Y358 PolarHBondContact O-N 3.45Å; A355-V371 HydrophobicContact CB-CG1 4.11Å; A355-R372 WeakPolarHBondContact O-CA 3.21Å; A355-R372 WeakPolarHBondContact O-CG 3.48Å |
| 356 | L | 98.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.6 | -25.2 | 175.8 | -73 | 177.1 | 0 | 0 | 0 | 113.9 | V352 L353 R354 R372 C376 L402 V405 | V352-L356 WeakPolarHBondContact O-CG 3.19Å; V352-L356 PolarHBondContact O-N 3.48Å; L353-L356 HydrophobicContact CD2-CD1 4.33Å; R354-L356 VanDerWaalsContact C-N 3.3Å; R354-L356 PolarHBondContact O-N 3.37Å; L356-R372 WeakPolarHBondContact O-CD 3.28Å; L356-R372 WeakPolarHBondContact O-CG 3.45Å; L356-C376 HydrophobicContact CD2-CB 4.44Å; L356-C376 VanDerWaalsContact CD2-SG 3.57Å; L356-L402 HydrophobicContact CD1-CD2 4.27Å; L356-L402 HydrophobicContact CD2-CD2 4.01Å; L356-V405 HydrophobicContact CB-CG2 4.1Å; L356-V405 WeakPolarHBondContact O-CG2 3.47Å |
| 357 | F | 96.1 | Very high | 88.2 | Confident | 64 Ų | 64 | 58.5 Ų | 58.5 | 28% | 0.281 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.7 | 17.3 | 178.4 | -58.4 | -75.1 | 0 | 0 | 0 | 112.7 | L353 R354 A355 D359 L404 V405 H472 | L353-F357 WeakPolarHBondContact O-CD2 3.38Å; R354-F357 CarbonylContact O-C 3.59Å; R354-F357 PolarHBondContact O-N 3.44Å; R354-F357 VanDerWaalsContact O-N 3.16Å; A355-F357 PolarHBondContact O-N 3.43Å; F357-D359 PolarHBondContact O-N 3.2Å; F357-L404 HydrophobicContact CE1-CB 3.92Å; F357-L404 HydrophobicContact CE1-CD1 4.43Å; F357-L404 HydrophobicContact CZ-CB 3.85Å; F357-L404 HydrophobicContact CZ-CD1 3.94Å; F357-V405 HydrophobicContact CD1-CG2 4.15Å; F357-V405 HydrophobicContact CE1-CG2 3.67Å; F357-V405 HydrophobicContact CZ-CG2 3.96Å; F357-H472 AromaticContact CD1-CE1 3.68Å; F357-H472 AromaticContact CE1-CE1 3.54Å |
| 358 | Y | 94.8 | Very high | 88 | Confident | 30 Ų | 30 | 54.2 Ų | 54.2 | 12% | 0.118 | 27% | 0.272 | C | S | . | . | trans | -63.7 | 129.4 | -179.7 | -174.4 | -81.9 | 0 | 0 | 0 | 110.3 | Y321 W324 R354 A355 E360 V371 R372 | Y321-Y358 WeakPolarHBondContact CA-OH 3.49Å; Y321-Y358 PolarHBondContact N-OH 3.33Å; W324-Y358 HydrophobicContact CB-CE2 4.29Å; W324-Y358 AromaticContact CD1-CE2 3.68Å; W324-Y358 AromaticContact CD2-CD2 3.61Å; W324-Y358 HydrophobicContact CD2-CD2 3.61Å; W324-Y358 AromaticContact CD2-CE2 3.47Å; W324-Y358 HydrophobicContact CD2-CE2 3.47Å; W324-Y358 VanDerWaalsContact CD2-CE2 3.47Å; W324-Y358 AromaticContact CE2-CD2 3.96Å; W324-Y358 AromaticContact CE2-CE2 3.54Å; W324-Y358 AromaticContact CE3-CD2 3.67Å; W324-Y358 HydrophobicContact CE3-CD2 3.67Å; W324-Y358 HydrophobicContact CE3-CE2 4.05Å; W324-Y358 HydrophobicContact CG-CD2 4.03Å; W324-Y358 AromaticContact CG-CE2 3.57Å; W324-Y358 HydrophobicContact CG-CE2 3.57Å; W324-Y358 HydrophobicContact CH2-CD2 4.37Å; W324-Y358 HydrophobicContact CZ2-CD2 4.32Å; W324-Y358 HydrophobicContact CZ2-CE2 4.15Å; W324-Y358 HydrophobicContact CZ3-CD2 4.06Å; W324-Y358 AromaticContact NE1-CE2 3.66Å; R354-Y358 PolarHBondContact O-N 2.98Å; A355-Y358 WeakPolarHBondContact O-CB 3.46Å; A355-Y358 PolarHBondContact O-N 3.45Å; Y358-E360 HydrophobicContact CE1-CB 3.82Å; Y358-E360 PolarHBondContact OH-OE2 3.42Å; Y358-E360 VanDerWaalsContact OH-OE2 3.09Å; Y358-V371 HydrophobicContact CD1-CB 3.87Å; Y358-V371 HydrophobicContact CD1-CG1 4.05Å; Y358-V371 HydrophobicContact CD1-CG2 3.84Å; Y358-V371 HydrophobicContact CD2-CG1 4.2Å; Y358-V371 HydrophobicContact CE1-CG2 4.09Å; Y358-V371 HydrophobicContact CG-CB 4.02Å; Y358-V371 HydrophobicContact CG-CG1 3.68Å; Y358-V371 HydrophobicContact CG-CG2 4.31Å; Y358-R372 WeakPolarHBondContact O-CD 3.33Å; Y358-R372 WeakPolarHBondContact O-CG 3.36Å; Y358-R372 PolarHBondContact O-NH1 3.27Å | ||
| 359 | D | 89 | Confident | 87.8 | Confident | 69 Ų | 69 | 56.6 Ų | 56.6 | 37% | 0.369 | 29% | 0.288 | S | S | . | . | trans | -152.6 | 112.6 | -176.2 | -148.7 | 37.3 | 0 | 0 | 0 | 109.1 | F357 N366 R372 | F357-D359 PolarHBondContact O-N 3.2Å; D359-N366 PolarHBondContact OD1-ND2 3.32Å; D359-N366 PolarHBondContact OD2-ND2 3.43Å; D359-R372 IonicContact OD1-CZ 2.78Å; D359-R372 IonicContact OD1-NH1 2.68Å; D359-R372 PolarHBondContact OD1-NH1 2.93Å | ||
| 360 | E | 85.1 | Confident | 87.8 | Confident | 71 Ų | 71 | 57.9 Ų | 57.9 | 33% | 0.332 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 112.6 | -176.9 | -172 | -174.5 | 171.5 | 0 | 0 | 110.3 | Y321 Y358 N366 Y367 | Y321-E360 PolarHBondContact N-OE2 3.43Å; Y358-E360 HydrophobicContact CE1-CB 3.82Å; Y358-E360 PolarHBondContact OH-OE2 3.42Å; Y358-E360 VanDerWaalsContact OH-OE2 3.09Å; E360-N366 PolarHBondContact O-OD1 3.45Å; E360-Y367 PolarHBondContact N-O 2.97Å; E360-Y367 PolarHBondContact O-N 2.88Å |
| 361 | R | 78.2 | Confident | 87.7 | Confident | 152 Ų | 152 | 55.2 Ų | 55.2 | 57% | 0.574 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 128.2 | -177.9 | -172.1 | 177.9 | 177.9 | 179.3 | -0.1 | 111.5 | G363 N366 | R361-G363 PolarHBondContact NE-O 2.99Å; R361-N366 WeakPolarHBondContact CA-OD1 3.45Å; R361-N366 PolarHBondContact N-OD1 2.59Å |
| 362 | S | 74.5 | Confident | 87.7 | Confident | 62 Ų | 62 | 55.2 Ų | 55.2 | 43% | 0.434 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 96.5 | 173.3 | 176.8 | 0 | 0 | 0 | 0 | 110.2 | D364 H365 | S362-D364 PolarHBondContact O-N 2.94Å; S362-H365 CarbonylContact C-O 3.51Å; S362-H365 PolarHBondContact N-O 2.81Å; S362-H365 PolarHBondContact O-N 3.43Å; S362-H365 VanDerWaalsContact O-N 3.13Å; S362-H365 VanDerWaalsContact O-O 3.11Å |
| 363 | G | 71.9 | Confident | 87.7 | Confident | 55 Ų | 55 | 58 Ų | 58 | 57% | 0.567 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | -124.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112 | R361 | R361-G363 PolarHBondContact NE-O 2.99Š|
| 364 | D | 62.9 | Low | 87.7 | Confident | 138 Ų | 138 | 56.2 Ų | 56.2 | 74% | 0.738 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -1.4 | 175.5 | -65.6 | -27.3 | 0 | 0 | 0 | 113.5 | S362 | S362-D364 PolarHBondContact O-N 2.94Š|
| 365 | H | 64.5 | Low | 87.8 | Confident | 128 Ų | 128 | 50.2 Ų | 50.2 | 59% | 0.593 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 153 | 178.6 | -62.7 | 85.4 | 0 | 0 | 0 | 110.9 | S362 | S362-H365 CarbonylContact C-O 3.51Å; S362-H365 PolarHBondContact N-O 2.81Å; S362-H365 PolarHBondContact O-N 3.43Å; S362-H365 VanDerWaalsContact O-N 3.13Å; S362-H365 VanDerWaalsContact O-O 3.11Å |
| 366 | N | 76.5 | Confident | 87.8 | Confident | 36 Ų | 36 | 50.2 Ų | 50.2 | 19% | 0.193 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 128.3 | 174.9 | -137.7 | 19.4 | 0 | 0 | 0 | 109.4 | D359 E360 R361 W481 | D359-N366 PolarHBondContact OD1-ND2 3.32Å; D359-N366 PolarHBondContact OD2-ND2 3.43Å; E360-N366 PolarHBondContact O-OD1 3.45Å; R361-N366 WeakPolarHBondContact CA-OD1 3.45Å; R361-N366 PolarHBondContact N-OD1 2.59Å; N366-W481 HydrophobicContact CB-CZ2 3.82Å; N366-W481 PolarHBondContact ND2-NE1 3.45Å |
| 367 | Y | 83.3 | Confident | 87.8 | Confident | 98 Ų | 98 | 52.5 Ų | 52.5 | 38% | 0.384 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 149.9 | 173.7 | -61.9 | -79.1 | 0 | 0 | 0 | 109.2 | Y321 E360 | Y321-Y367 HydrophobicContact CD1-CD1 4.42Å; Y321-Y367 HydrophobicContact CD1-CG 4.09Å; Y321-Y367 AromaticContact CE1-CD1 3.88Å; Y321-Y367 HydrophobicContact CE1-CD1 3.88Å; Y321-Y367 AromaticContact CE1-CG 3.96Å; Y321-Y367 HydrophobicContact CE1-CG 3.96Å; Y321-Y367 HydrophobicContact CE2-CD1 4.44Å; Y321-Y367 AromaticContact CZ-CD1 3.9Å; E360-Y367 PolarHBondContact N-O 2.97Å; E360-Y367 PolarHBondContact O-N 2.88Å |
| 368 | G | 90.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | trans | 128.9 | -10.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | N370 V371 R372 | G368-N370 PolarHBondContact O-N 3.35Å; G368-V371 WeakPolarHBondContact O-CA 3.42Å; G368-V371 WeakPolarHBondContact O-CB 3.4Å; G368-V371 PolarHBondContact O-N 2.85Å; G368-R372 PolarHBondContact O-N 3.41Å | ||
| 369 | S | 94.8 | Very high | 88 | Confident | 49 Ų | 49 | 48.1 Ų | 48.1 | 34% | 0.343 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -56.5 | -37.9 | 176.1 | 58.8 | 0 | 0 | 0 | 0 | 112.4 | R372 D373 V414 | S369-R372 PolarHBondContact O-N 3.21Å; S369-D373 VanDerWaalsContact O-CB 3.28Å; S369-D373 WeakPolarHBondContact O-CB 2.94Å; S369-D373 PolarHBondContact O-N 3.14Å; S369-V414 VanDerWaalsContact O-CG2 3.32Å; S369-V414 WeakPolarHBondContact O-CG2 3.49Å |
| 370 | N | 95.4 | Very high | 88.3 | Confident | 31 Ų | 31 | 48.4 Ų | 48.4 | 17% | 0.166 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.4 | -35.6 | 171.4 | 60.5 | -28.2 | 0 | 0 | 0 | 113.5 | Y321 H325 G368 A374 | Y321-N370 WeakPolarHBondContact CD2-ND2 3.39Å; Y321-N370 WeakPolarHBondContact CE2-ND2 3.29Å; H325-N370 PolarHBondContact CD2-O 3.15Å; H325-N370 PolarHBondContact ND1-ND2 3.39Å; G368-N370 PolarHBondContact O-N 3.35Å; N370-A374 VanDerWaalsContact O-CB 3.32Å; N370-A374 WeakPolarHBondContact O-CB 3.3Å; N370-A374 PolarHBondContact O-N 3.45Å |
| 371 | V | 97.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.6 | -45.7 | 174.7 | -177.8 | 0 | 0 | 0 | 0 | 110.1 | Y321 W324 H325 A355 Y358 G368 A374 G375 | Y321-V371 VanDerWaalsContact O-CG2 3.22Å; Y321-V371 WeakPolarHBondContact O-CG2 3.5Å; W324-V371 HydrophobicContact CB-CG1 3.85Å; W324-V371 HydrophobicContact CB-CG2 3.89Å; W324-V371 HydrophobicContact CE3-CG1 4.3Å; H325-V371 HydrophobicContact CB-CG2 3.95Å; A355-V371 HydrophobicContact CB-CG1 4.11Å; Y358-V371 HydrophobicContact CD1-CB 3.87Å; Y358-V371 HydrophobicContact CD1-CG1 4.05Å; Y358-V371 HydrophobicContact CD1-CG2 3.84Å; Y358-V371 HydrophobicContact CD2-CG1 4.2Å; Y358-V371 HydrophobicContact CE1-CG2 4.09Å; Y358-V371 HydrophobicContact CG-CB 4.02Å; Y358-V371 HydrophobicContact CG-CG1 3.68Å; Y358-V371 HydrophobicContact CG-CG2 4.31Å; G368-V371 WeakPolarHBondContact O-CA 3.42Å; G368-V371 WeakPolarHBondContact O-CB 3.4Å; G368-V371 PolarHBondContact O-N 2.85Å; V371-A374 CarbonylContact O-C 3.48Å; V371-A374 PolarHBondContact O-N 3.17Å; V371-G375 PolarHBondContact O-N 2.94Å |
| 372 | R | 97.9 | Very high | 89.5 | Confident | 10 Ų | 10 | 37.9 Ų | 37.9 | 4% | 0.038 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.4 | -43.1 | 177.4 | -61.5 | -166.3 | -63.7 | -100.9 | 12.5 | 112.2 | A355 L356 Y358 D359 G368 S369 G375 C376 D409 V414 | A355-R372 WeakPolarHBondContact O-CA 3.21Å; A355-R372 WeakPolarHBondContact O-CG 3.48Å; L356-R372 WeakPolarHBondContact O-CD 3.28Å; L356-R372 WeakPolarHBondContact O-CG 3.45Å; Y358-R372 WeakPolarHBondContact O-CD 3.33Å; Y358-R372 WeakPolarHBondContact O-CG 3.36Å; Y358-R372 PolarHBondContact O-NH1 3.27Å; D359-R372 IonicContact OD1-CZ 2.78Å; D359-R372 IonicContact OD1-NH1 2.68Å; D359-R372 PolarHBondContact OD1-NH1 2.93Å; G368-R372 PolarHBondContact O-N 3.41Å; S369-R372 PolarHBondContact O-N 3.21Å; R372-G375 PolarHBondContact O-N 2.98Å; R372-C376 PolarHBondContact O-N 3.4Å; R372-C376 PolarHBondContact O-SG 3.16Å; R372-D409 WeakPolarHBondContact CD-OD2 3.38Å; R372-D409 IonicContact CZ-OD1 3.05Å; R372-D409 IonicContact CZ-OD2 3.62Å; R372-D409 IonicContact NE-OD1 2.82Å; R372-D409 IonicContact NE-OD2 3.53Å; R372-D409 PolarHBondContact NE-OD2 3.41Å; R372-D409 IonicContact NH2-OD1 3.35Å; R372-D409 PolarHBondContact NH2-OD1 2.9Å; R372-D409 VanDerWaalsContact NH2-OD1 3.17Å; R372-D409 IonicContact NH2-OD2 3.67Å; R372-D409 PolarHBondContact NH2-OD2 3.44Å; R372-V414 HydrophobicContact CB-CG1 3.7Å; R372-V414 HydrophobicContact CB-CG2 4.41Å |
| 373 | D | 97.9 | Very high | 90.3 | Very high | 60 Ų | 60 | 35 Ų | 35 | 32% | 0.321 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -58.1 | -46.8 | 172.4 | -174.6 | 80.9 | 0 | 0 | 0 | 111.4 | S369 G375 C376 Y377 V414 A417 | S369-D373 VanDerWaalsContact O-CB 3.28Å; S369-D373 WeakPolarHBondContact O-CB 2.94Å; S369-D373 PolarHBondContact O-N 3.14Å; D373-G375 PolarHBondContact O-N 3.16Å; D373-C376 WeakPolarHBondContact O-CB 3.46Å; D373-C376 PolarHBondContact O-N 3.29Å; D373-Y377 PolarHBondContact O-N 3.27Å; D373-V414 HydrophobicContact CB-CG2 4.32Å; D373-A417 WeakPolarHBondContact OD1-CB 3.09Å |
| 374 | A | 98.1 | Very high | 91.1 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.008 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.6 | -33.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | H325 C328 L329 N370 V371 C376 Y377 V378 | H325-A374 VanDerWaalsContact CD2-CB 3.44Å; H325-A374 WeakPolarHBondContact CD2-CB 3.49Å; C328-A374 HydrophobicContact CB-CB 3.6Å; L329-A374 HydrophobicContact CD2-CB 4.15Å; L329-A374 HydrophobicContact CG-CB 4.46Å; N370-A374 VanDerWaalsContact O-CB 3.32Å; N370-A374 WeakPolarHBondContact O-CB 3.3Å; N370-A374 PolarHBondContact O-N 3.45Å; V371-A374 CarbonylContact O-C 3.48Å; V371-A374 PolarHBondContact O-N 3.17Å; A374-C376 VanDerWaalsContact C-N 3.3Å; A374-C376 PolarHBondContact O-N 2.75Å; A374-Y377 CarbonylContact O-C 3.59Å; A374-Y377 WeakPolarHBondContact O-CA 3.09Å; A374-Y377 WeakPolarHBondContact O-CB 3.4Å; A374-Y377 PolarHBondContact O-N 2.99Å; A374-Y377 VanDerWaalsContact O-N 3.11Å; A374-V378 WeakPolarHBondContact O-CG2 3.42Å; A374-V378 PolarHBondContact O-N 2.89Å |
| 375 | G | 98.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.1 | -43.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V371 R372 D373 Y377 V378 C379 | V371-G375 PolarHBondContact O-N 2.94Å; R372-G375 PolarHBondContact O-N 2.98Å; D373-G375 PolarHBondContact O-N 3.16Å; G375-Y377 VanDerWaalsContact C-N 3.33Å; G375-Y377 PolarHBondContact O-N 3.29Å; G375-V378 WeakPolarHBondContact O-CB 3.5Å; G375-V378 PolarHBondContact O-N 2.74Å; G375-C379 PolarHBondContact O-N 2.83Å; G375-C379 PolarHBondContact O-SG 3.07Å |
| 376 | C | 98.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.007 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62 | -41.1 | 172.5 | -60.4 | 0 | 0 | 0 | 0 | 111.3 | L356 R372 D373 A374 V378 C379 W380 A417 A421 | L356-C376 HydrophobicContact CD2-CB 4.44Å; L356-C376 VanDerWaalsContact CD2-SG 3.57Å; R372-C376 PolarHBondContact O-N 3.4Å; R372-C376 PolarHBondContact O-SG 3.16Å; D373-C376 WeakPolarHBondContact O-CB 3.46Å; D373-C376 PolarHBondContact O-N 3.29Å; A374-C376 VanDerWaalsContact C-N 3.3Å; A374-C376 PolarHBondContact O-N 2.75Å; C376-V378 VanDerWaalsContact C-N 3.33Å; C376-V378 PolarHBondContact O-N 3.09Å; C376-C379 WeakPolarHBondContact O-CB 3.34Å; C376-C379 PolarHBondContact O-N 3.08Å; C376-W380 PolarHBondContact O-N 3.02Å; C376-A417 HydrophobicContact CB-CB 3.78Å; C376-A421 HydrophobicContact CB-CB 4.3Å; C376-A421 WeakPolarHBondContact O-CB 3.12Å |
| 377 | Y | 98.1 | Very high | 94 | Very high | 48 Ų | 48 | 27.3 Ų | 27.3 | 19% | 0.188 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.7 | -35.7 | 174.8 | -180 | -123.6 | 0 | 0 | 0 | 112.8 | W286 L329 A332 D373 A374 G375 W380 A381 | W286-Y377 HydrophobicContact CH2-CE1 4.04Å; W286-Y377 HydrophobicContact CZ3-CD1 4.44Å; W286-Y377 AromaticContact CZ3-CE1 3.99Å; W286-Y377 HydrophobicContact CZ3-CE1 3.99Å; L329-Y377 HydrophobicContact CD2-CD1 4.05Å; L329-Y377 HydrophobicContact CD2-CE1 4.39Å; A332-Y377 HydrophobicContact CB-CD1 3.46Å; A332-Y377 VanDerWaalsContact CB-CD1 3.46Å; A332-Y377 HydrophobicContact CB-CE1 3.39Å; A332-Y377 HydrophobicContact CB-CG 4.32Å; D373-Y377 PolarHBondContact O-N 3.27Å; A374-Y377 CarbonylContact O-C 3.59Å; A374-Y377 WeakPolarHBondContact O-CA 3.09Å; A374-Y377 WeakPolarHBondContact O-CB 3.4Å; A374-Y377 PolarHBondContact O-N 2.99Å; A374-Y377 VanDerWaalsContact O-N 3.11Å; G375-Y377 VanDerWaalsContact C-N 3.33Å; G375-Y377 PolarHBondContact O-N 3.29Å; Y377-W380 HydrophobicContact CD2-CE3 4.06Å; Y377-W380 AromaticContact CE2-CE3 3.85Å; Y377-W380 HydrophobicContact CE2-CE3 3.85Å; Y377-W380 HydrophobicContact CE2-CZ3 4.04Å; Y377-W380 PolarHBondContact O-N 3.21Å; Y377-A381 VanDerWaalsContact O-CB 3.29Å; Y377-A381 WeakPolarHBondContact O-CB 3.36Å; Y377-A381 PolarHBondContact O-N 2.87Å |
| 378 | V | 98.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.4 | -49 | 171.4 | -175.5 | 0 | 0 | 0 | 0 | 110.3 | C328 L331 A332 V352 A374 G375 C376 W380 A381 F382 | C328-V378 HydrophobicContact CB-CG2 4.04Å; C328-V378 WeakPolarHBondContact O-CG2 3.32Å; L331-V378 HydrophobicContact CB-CG1 4.43Å; L331-V378 HydrophobicContact CB-CG2 4.25Å; A332-V378 HydrophobicContact CB-CG2 4.15Å; V352-V378 HydrophobicContact CG1-CB 4.17Å; V352-V378 HydrophobicContact CG1-CG1 4.22Å; V352-V378 HydrophobicContact CG2-CB 4.24Å; V352-V378 HydrophobicContact CG2-CG1 3.62Å; A374-V378 WeakPolarHBondContact O-CG2 3.42Å; A374-V378 PolarHBondContact O-N 2.89Å; G375-V378 WeakPolarHBondContact O-CB 3.5Å; G375-V378 PolarHBondContact O-N 2.74Å; C376-V378 VanDerWaalsContact C-N 3.33Å; C376-V378 PolarHBondContact O-N 3.09Å; V378-W380 VanDerWaalsContact C-N 3.31Å; V378-W380 PolarHBondContact O-N 2.83Å; V378-A381 PolarHBondContact O-N 3.14Å; V378-F382 HydrophobicContact CG1-CD1 3.87Å; V378-F382 HydrophobicContact CG1-CD2 3.96Å; V378-F382 HydrophobicContact CG1-CE1 3.57Å; V378-F382 HydrophobicContact CG1-CE2 3.67Å; V378-F382 HydrophobicContact CG1-CG 4.06Å; V378-F382 HydrophobicContact CG1-CZ 3.47Å; V378-F382 VanDerWaalsContact CG1-CZ 3.47Å; V378-F382 WeakPolarHBondContact O-CB 3.48Å; V378-F382 WeakPolarHBondContact O-CD1 3.38Å; V378-F382 WeakPolarHBondContact O-CG 3.37Å; V378-F382 PolarHBondContact O-N 2.86Å |
| 379 | C | 97.2 | Very high | 93.9 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.014 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.9 | -42.9 | 177.4 | -66.5 | 0 | 0 | 0 | 0 | 112.1 | G375 C376 F382 A383 I398 L402 A421 N425 | G375-C379 PolarHBondContact O-N 2.83Å; G375-C379 PolarHBondContact O-SG 3.07Å; C376-C379 WeakPolarHBondContact O-CB 3.34Å; C376-C379 PolarHBondContact O-N 3.08Å; C379-F382 PolarHBondContact O-N 3.33Å; C379-A383 WeakPolarHBondContact O-CB 3.45Å; C379-A383 PolarHBondContact O-N 2.6Å; C379-I398 HydrophobicContact CB-CG2 4.43Å; C379-L402 HydrophobicContact CB-CD1 4.12Å; C379-L402 HydrophobicContact CB-CD2 4.24Å; C379-A421 HydrophobicContact CB-CB 4.15Å; C379-N425 PolarHBondContact O-ND2 3.49Å |
| 380 | W | 95.7 | Very high | 93.5 | Very high | 75 Ų | 75 | 33.5 Ų | 33.5 | 28% | 0.284 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -64.1 | -44.7 | 175.3 | -178.6 | 88.1 | 0 | 0 | 0 | 112.1 | C376 Y377 V378 F382 A383 R384 A421 E424 | C376-W380 PolarHBondContact O-N 3.02Å; Y377-W380 HydrophobicContact CD2-CE3 4.06Å; Y377-W380 AromaticContact CE2-CE3 3.85Å; Y377-W380 HydrophobicContact CE2-CE3 3.85Å; Y377-W380 HydrophobicContact CE2-CZ3 4.04Å; Y377-W380 PolarHBondContact O-N 3.21Å; V378-W380 VanDerWaalsContact C-N 3.31Å; V378-W380 PolarHBondContact O-N 2.83Å; W380-F382 VanDerWaalsContact C-N 3.35Å; W380-F382 PolarHBondContact O-N 2.83Å; W380-A383 WeakPolarHBondContact O-CB 3.39Å; W380-A383 PolarHBondContact O-N 3.05Å; W380-R384 VanDerWaalsContact CH2-CD 3.43Å; W380-R384 PolarHBondContact O-N 3.07Å; W380-A421 HydrophobicContact CB-CB 4.1Å; W380-E424 HydrophobicContact CG-CB 4.42Å; W380-E424 HydrophobicContact CG-CG 4.42Å; W380-E424 PolarHBondContact NE1-OE2 3.24Å; W380-E424 VanDerWaalsContact NE1-OE2 3.11Å |
| 381 | A | 94.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.7 | -40.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | A332 R336 Y377 V378 A383 R384 A385 | A332-A381 HydrophobicContact CB-CB 4Å; R336-A381 HydrophobicContact CB-CB 4.48Å; Y377-A381 VanDerWaalsContact O-CB 3.29Å; Y377-A381 WeakPolarHBondContact O-CB 3.36Å; Y377-A381 PolarHBondContact O-N 2.87Å; V378-A381 PolarHBondContact O-N 3.14Å; A381-A383 VanDerWaalsContact C-N 3.34Å; A381-R384 PolarHBondContact O-N 3.19Å; A381-R384 VanDerWaalsContact O-N 3.14Å; A381-A385 WeakPolarHBondContact O-CB 2.99Å; A381-A385 PolarHBondContact O-N 3.22Å |
| 382 | F | 94.3 | Very high | 92.8 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 0% | 0.004 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.7 | -34.9 | 179.6 | -76.2 | 13.2 | 0 | 0 | 0 | 111.6 | L340 L345 V348 I349 V378 C379 W380 R384 A385 Y386 F391 R428 | L340-F382 HydrophobicContact CD1-CZ 4.03Å; L345-F382 HydrophobicContact CD2-CD2 4.31Å; L345-F382 HydrophobicContact CD2-CE2 4.11Å; V348-F382 HydrophobicContact CG1-CE2 3.89Å; V348-F382 HydrophobicContact CG1-CZ 3.89Å; I349-F382 HydrophobicContact CD1-CD2 3.95Å; I349-F382 HydrophobicContact CD1-CE2 4.02Å; V378-F382 HydrophobicContact CG1-CD1 3.87Å; V378-F382 HydrophobicContact CG1-CD2 3.96Å; V378-F382 HydrophobicContact CG1-CE1 3.57Å; V378-F382 HydrophobicContact CG1-CE2 3.67Å; V378-F382 HydrophobicContact CG1-CG 4.06Å; V378-F382 HydrophobicContact CG1-CZ 3.47Å; V378-F382 VanDerWaalsContact CG1-CZ 3.47Å; V378-F382 WeakPolarHBondContact O-CB 3.48Å; V378-F382 WeakPolarHBondContact O-CD1 3.38Å; V378-F382 WeakPolarHBondContact O-CG 3.37Å; V378-F382 PolarHBondContact O-N 2.86Å; C379-F382 PolarHBondContact O-N 3.33Å; W380-F382 VanDerWaalsContact C-N 3.35Å; W380-F382 PolarHBondContact O-N 2.83Å; F382-R384 PolarHBondContact O-N 2.76Å; F382-A385 PolarHBondContact O-N 2.99Å; F382-A385 VanDerWaalsContact O-N 3.09Å; F382-Y386 HydrophobicContact CB-CD2 3.96Å; F382-Y386 HydrophobicContact CB-CE2 3.93Å; F382-Y386 AromaticContact CD1-CE2 3.83Å; F382-Y386 HydrophobicContact CD1-CE2 3.83Å; F382-Y386 AromaticContact CD2-CE2 3.96Å; F382-Y386 HydrophobicContact CD2-CE2 3.96Å; F382-Y386 HydrophobicContact CE1-CE2 4.29Å; F382-Y386 HydrophobicContact CE2-CE2 4.41Å; F382-Y386 HydrophobicContact CG-CD2 4.19Å; F382-Y386 AromaticContact CG-CE2 3.64Å; F382-Y386 HydrophobicContact CG-CE2 3.64Å; F382-Y386 WeakPolarHBondContact O-CD2 3.32Å; F382-Y386 PolarHBondContact O-N 3.33Å; F382-Y386 VanDerWaalsContact O-N 3.15Å; F382-F391 HydrophobicContact CB-CE2 4.11Å; F382-F391 HydrophobicContact CB-CZ 4.08Å; F382-F391 HydrophobicContact CD2-CE2 4.16Å; F382-F391 HydrophobicContact CD2-CZ 4.42Å; F382-R428 PolarHBondContact O-NH2 3.02Å |
| 383 | A | 90.4 | Very high | 92.5 | Very high | 3 Ų | 3 | 43.4 Ų | 43.4 | 3% | 0.025 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.5 | -25.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | R205 C379 W380 A381 E424 N425 R428 | R205-A383 PolarHBondContact NH1-O 3.2Å; C379-A383 WeakPolarHBondContact O-CB 3.45Å; C379-A383 PolarHBondContact O-N 2.6Å; W380-A383 WeakPolarHBondContact O-CB 3.39Å; W380-A383 PolarHBondContact O-N 3.05Å; A381-A383 VanDerWaalsContact C-N 3.34Å; A383-E424 HydrophobicContact CB-CB 4.02Å; A383-E424 HydrophobicContact CB-CG 3.54Å; A383-N425 HydrophobicContact CB-CB 4.47Å; A383-N425 VanDerWaalsContact CB-CG 3.47Å; A383-N425 WeakPolarHBondContact CB-ND2 3.4Å; A383-N425 VanDerWaalsContact CB-OD1 3.28Å; A383-N425 WeakPolarHBondContact CB-OD1 3.07Å; A383-R428 VanDerWaalsContact CA-NH2 3.29Å; A383-R428 VanDerWaalsContact O-CZ 3.22Å; A383-R428 PolarHBondContact O-NE 2.95Å; A383-R428 VanDerWaalsContact O-NE 3.08Å; A383-R428 PolarHBondContact O-NH2 2.72Å |
| 384 | R | 87.6 | Confident | 92.3 | Very high | 121 Ų | 121 | 42.4 Ų | 42.4 | 46% | 0.457 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -96.6 | -23.2 | 176.7 | -63 | -178 | 70.1 | 86.5 | -2 | 113.4 | R205 W380 A381 F382 E424 | R205-R384 PolarHBondContact NH1-O 2.73Å; W380-R384 VanDerWaalsContact CH2-CD 3.43Å; W380-R384 PolarHBondContact O-N 3.07Å; A381-R384 PolarHBondContact O-N 3.19Å; A381-R384 VanDerWaalsContact O-N 3.14Å; F382-R384 PolarHBondContact O-N 2.76Å; R384-E424 WeakPolarHBondContact CD-OE1 3.45Å; R384-E424 HydrophobicContact CG-CG 3.85Å; R384-E424 WeakPolarHBondContact CG-OE1 3.41Å; R384-E424 IonicContact CZ-OE1 2.81Å; R384-E424 IonicContact NE-OE1 3.81Å; R384-E424 IonicContact NH1-OE1 3.24Å; R384-E424 PolarHBondContact NH1-OE1 3.47Å; R384-E424 IonicContact NH1-OE2 3.17Å |
| 385 | A | 89.3 | Confident | 92.1 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -82.9 | -48.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114 | Y203 R205 G335 A381 F382 | Y203-A385 WeakPolarHBondContact CE1-O 3.3Å; R205-A385 WeakPolarHBondContact CD-O 3.25Å; G335-A385 WeakPolarHBondContact O-CB 3.47Å; A381-A385 WeakPolarHBondContact O-CB 2.99Å; A381-A385 PolarHBondContact O-N 3.22Å; F382-A385 PolarHBondContact O-N 2.99Å; F382-A385 VanDerWaalsContact O-N 3.09Å |
| 386 | Y | 90.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -96.2 | 158.1 | -167.9 | -58.6 | -73.7 | 0 | 0 | 0 | 114.9 | Y203 R205 L340 P342 L345 F382 F391 R428 | Y203-Y386 HydrophobicContact CD1-CD1 4.3Å; Y203-Y386 HydrophobicContact CE1-CD1 4.2Å; R205-Y386 WeakPolarHBondContact CD-O 3.28Å; R205-Y386 PolarHBondContact NE-O 2.89Å; L340-Y386 WeakPolarHBondContact CB-OH 3.34Å; L340-Y386 WeakPolarHBondContact CD2-OH 3.24Å; L340-Y386 VanDerWaalsContact O-CE1 3.3Å; L340-Y386 WeakPolarHBondContact O-CE1 3.39Å; L340-Y386 PolarHBondContact O-OH 2.68Å; P342-Y386 HydrophobicContact CG-CD1 4.28Å; P342-Y386 HydrophobicContact CG-CE1 4.47Å; L345-Y386 HydrophobicContact CD1-CD1 4.31Å; L345-Y386 HydrophobicContact CD1-CE1 4.39Å; L345-Y386 HydrophobicContact CD1-CG 4.44Å; L345-Y386 HydrophobicContact CD2-CD2 4.39Å; L345-Y386 HydrophobicContact CD2-CE1 4.31Å; L345-Y386 HydrophobicContact CD2-CE2 3.82Å; F382-Y386 HydrophobicContact CB-CD2 3.96Å; F382-Y386 HydrophobicContact CB-CE2 3.93Å; F382-Y386 AromaticContact CD1-CE2 3.83Å; F382-Y386 HydrophobicContact CD1-CE2 3.83Å; F382-Y386 AromaticContact CD2-CE2 3.96Å; F382-Y386 HydrophobicContact CD2-CE2 3.96Å; F382-Y386 HydrophobicContact CE1-CE2 4.29Å; F382-Y386 HydrophobicContact CE2-CE2 4.41Å; F382-Y386 HydrophobicContact CG-CD2 4.19Å; F382-Y386 AromaticContact CG-CE2 3.64Å; F382-Y386 HydrophobicContact CG-CE2 3.64Å; F382-Y386 WeakPolarHBondContact O-CD2 3.32Å; F382-Y386 PolarHBondContact O-N 3.33Å; F382-Y386 VanDerWaalsContact O-N 3.15Å; Y386-F391 HydrophobicContact CD2-CD2 4.09Å; Y386-F391 HydrophobicContact CD2-CE2 4.08Å; Y386-F391 HydrophobicContact CG-CD2 4.35Å; Y386-R428 PolarHBondContact O-NH2 3.13Å |
| 387 | H | 86.3 | Confident | 91.7 | Very high | 73 Ų | 73 | 49.2 Ų | 49.2 | 34% | 0.338 | 24% | 0.24 | S | C | . | . | trans | -77.8 | 147.2 | 166.9 | -171.6 | -90.4 | 0 | 0 | 0 | 110 | Y203 K389 D390 F391 | Y203-H387 WeakPolarHBondContact OH-CA 3.19Å; Y203-H387 WeakPolarHBondContact OH-CB 3.36Å; Y203-H387 PolarHBondContact OH-N 3.14Å; H387-K389 VanDerWaalsContact C-N 3.25Å; H387-K389 PolarHBondContact ND1-N 3.28Å; H387-K389 PolarHBondContact O-N 3.28Å; H387-D390 PolarHBondContact O-N 3.22Å; H387-D390 VanDerWaalsContact O-N 3.13Å; H387-F391 PolarHBondContact O-N 3.03Å | ||
| 388 | P | 84.3 | Confident | 91.6 | Very high | 43 Ų | 43 | 47 Ų | 47 | 28% | 0.279 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -53.1 | -37.9 | -179.3 | -29.7 | 35.6 | 0 | 0 | 0 | 114.8 | D390 F391 L392 R428 | P388-D390 VanDerWaalsContact C-N 3.34Å; P388-D390 PolarHBondContact O-N 3.3Å; P388-F391 PolarHBondContact O-N 3.23Å; P388-F391 VanDerWaalsContact O-N 3.16Å; P388-L392 PolarHBondContact O-N 2.65Å; P388-R428 HydrophobicContact CG-CG 4.45Å |
| 389 | K | 87 | Confident | 91.6 | Very high | 167 Ų | 167 | 47 Ų | 47 | 73% | 0.726 | 23% | 0.231 | S | C | * | . | G | 310 helix | trans | -59.8 | -39.8 | 178.5 | -68.1 | 178.4 | 179.4 | 179.2 | 0 | 113.2 | H387 F391 | H387-K389 VanDerWaalsContact C-N 3.25Å; H387-K389 PolarHBondContact ND1-N 3.28Å; H387-K389 PolarHBondContact O-N 3.28Å; K389-F391 PolarHBondContact O-N 2.96Å |
| 390 | D | 88.2 | Confident | 91.6 | Very high | 67 Ų | 67 | 47.6 Ų | 47.6 | 36% | 0.358 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -77.8 | -12.1 | -178.9 | -60.6 | -40.9 | 0 | 0 | 0 | 112.7 | Y203 P342 H387 P388 | Y203-D390 VanDerWaalsContact CE2-OD2 3.31Å; Y203-D390 WeakPolarHBondContact CE2-OD2 3.43Å; Y203-D390 VanDerWaalsContact CZ-OD2 3.28Å; Y203-D390 PolarHBondContact OH-OD2 2.94Å; P342-D390 HydrophobicContact CB-CB 4.1Å; P342-D390 HydrophobicContact CG-CB 4.17Å; H387-D390 PolarHBondContact O-N 3.22Å; H387-D390 VanDerWaalsContact O-N 3.13Å; P388-D390 VanDerWaalsContact C-N 3.34Å; P388-D390 PolarHBondContact O-N 3.3Å |
| 391 | F | 89 | Confident | 91.7 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 0% | 0.004 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -108.2 | -1.6 | -176.4 | -147 | -111.1 | 0 | 0 | 0 | 112.9 | L345 I349 F382 Y386 H387 P388 K389 D393 Y394 I395 I398 | L345-F391 HydrophobicContact CD1-CD2 4Å; L345-F391 HydrophobicContact CD1-CE2 4.43Å; L345-F391 HydrophobicContact CD2-CE2 4.38Å; I349-F391 HydrophobicContact CD1-CE2 4.11Å; I349-F391 HydrophobicContact CD1-CZ 4.23Å; F382-F391 HydrophobicContact CB-CE2 4.11Å; F382-F391 HydrophobicContact CB-CZ 4.08Å; F382-F391 HydrophobicContact CD2-CE2 4.16Å; F382-F391 HydrophobicContact CD2-CZ 4.42Å; Y386-F391 HydrophobicContact CD2-CD2 4.09Å; Y386-F391 HydrophobicContact CD2-CE2 4.08Å; Y386-F391 HydrophobicContact CG-CD2 4.35Å; H387-F391 PolarHBondContact O-N 3.03Å; P388-F391 PolarHBondContact O-N 3.23Å; P388-F391 VanDerWaalsContact O-N 3.16Å; K389-F391 PolarHBondContact O-N 2.96Å; F391-D393 PolarHBondContact O-N 3.47Å; F391-Y394 HydrophobicContact CD2-CD2 4.22Å; F391-Y394 PolarHBondContact O-N 2.71Å; F391-I395 HydrophobicContact CD1-CG1 4.5Å; F391-I395 PolarHBondContact O-N 3.07Å; F391-I398 HydrophobicContact CD1-CD1 4.48Å; F391-I398 HydrophobicContact CE1-CD1 3.38Å; F391-I398 HydrophobicContact CE2-CD1 4.38Å; F391-I398 HydrophobicContact CZ-CD1 3.31Å |
| 392 | L | 89 | Confident | 91.9 | Very high | 114 Ų | 114 | 44.8 Ų | 44.8 | 60% | 0.597 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -54.5 | -47.3 | -168 | -172.4 | 66.8 | 0 | 0 | 0 | 112.5 | P388 Y394 I395 | P388-L392 PolarHBondContact O-N 2.65Å; L392-Y394 PolarHBondContact O-N 3.28Å; L392-Y394 VanDerWaalsContact O-N 3.11Å; L392-I395 HydrophobicContact CD1-CD1 4.03Å; L392-I395 PolarHBondContact O-N 3.04Å |
| 393 | D | 91.7 | Very high | 92.1 | Very high | 135 Ų | 135 | 44.8 Ų | 44.8 | 72% | 0.722 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -65.6 | -16.4 | -177.5 | -61.5 | -23.4 | 0 | 0 | 0 | 113.5 | F391 | F391-D393 PolarHBondContact O-N 3.47Š|
| 394 | Y | 93.7 | Very high | 92.4 | Very high | 38 Ų | 38 | 45.4 Ų | 45.4 | 15% | 0.149 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -106.4 | -7.1 | -176.1 | -45.9 | -63.6 | 0 | 0 | 0 | 113.1 | L345 P346 I349 F391 L392 V396 I398 | L345-Y394 HydrophobicContact CB-CD2 4.32Å; L345-Y394 HydrophobicContact CB-CE2 3.5Å; L345-Y394 VanDerWaalsContact CB-CE2 3.5Å; L345-Y394 HydrophobicContact CD1-CD2 4.28Å; L345-Y394 HydrophobicContact CD1-CE2 3.85Å; L345-Y394 HydrophobicContact CG-CE2 4.3Å; P346-Y394 VanDerWaalsContact CD-OH 3.22Å; P346-Y394 WeakPolarHBondContact CD-OH 3.46Å; P346-Y394 VanDerWaalsContact CG-OH 3.25Å; P346-Y394 WeakPolarHBondContact CG-OH 3.33Å; I349-Y394 HydrophobicContact CB-CD1 3.94Å; I349-Y394 HydrophobicContact CB-CE1 4.24Å; I349-Y394 HydrophobicContact CB-CG 4.38Å; I349-Y394 HydrophobicContact CG1-CD1 3.83Å; I349-Y394 HydrophobicContact CG1-CD2 4.13Å; I349-Y394 HydrophobicContact CG1-CE1 4.15Å; I349-Y394 HydrophobicContact CG1-CE2 4.44Å; I349-Y394 HydrophobicContact CG1-CG 3.81Å; I349-Y394 HydrophobicContact CG2-CD1 3.73Å; I349-Y394 HydrophobicContact CG2-CE1 4.46Å; I349-Y394 HydrophobicContact CG2-CG 4.16Å; F391-Y394 HydrophobicContact CD2-CD2 4.22Å; F391-Y394 PolarHBondContact O-N 2.71Å; L392-Y394 PolarHBondContact O-N 3.28Å; L392-Y394 VanDerWaalsContact O-N 3.11Å; Y394-V396 PolarHBondContact O-N 2.86Å; Y394-I398 WeakPolarHBondContact O-CB 3.35Å; Y394-I398 WeakPolarHBondContact O-CD1 3.35Å; Y394-I398 WeakPolarHBondContact O-CG1 3.39Å; Y394-I398 PolarHBondContact O-N 3.29Å; Y394-I398 VanDerWaalsContact O-N 3.11Å |
| 395 | I | 92.4 | Very high | 93 | Very high | 12 Ų | 12 | 39.6 Ų | 39.6 | 6% | 0.062 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57 | -55.2 | -176.4 | -76.1 | 170.5 | 0 | 0 | 0 | 111 | F391 L392 I398 A399 R428 F430 | F391-I395 HydrophobicContact CD1-CG1 4.5Å; F391-I395 PolarHBondContact O-N 3.07Å; L392-I395 HydrophobicContact CD1-CD1 4.03Å; L392-I395 PolarHBondContact O-N 3.04Å; I395-I398 PolarHBondContact O-N 3.25Å; I395-A399 WeakPolarHBondContact O-CB 3.49Å; I395-A399 PolarHBondContact O-N 2.95Å; I395-R428 VanDerWaalsContact CD1-O 3.29Å; I395-R428 WeakPolarHBondContact CD1-O 3.26Å; I395-F430 HydrophobicContact CB-CE1 4.45Å; I395-F430 HydrophobicContact CG1-CE1 4.47Å; I395-F430 HydrophobicContact CG2-CD1 3.73Å; I395-F430 HydrophobicContact CG2-CE1 4.04Å |
| 396 | V | 93.8 | Very high | 93.4 | Very high | 79 Ų | 79 | 39.9 Ų | 39.9 | 48% | 0.479 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.5 | -50.5 | -174.3 | 176.6 | 0 | 0 | 0 | 0 | 111.9 | Y394 I398 A399 S400 P431 | Y394-V396 PolarHBondContact O-N 2.86Å; V396-I398 VanDerWaalsContact C-N 3.31Å; V396-I398 PolarHBondContact O-N 3.26Å; V396-A399 PolarHBondContact O-N 3.23Å; V396-S400 WeakPolarHBondContact O-CB 3.39Å; V396-S400 PolarHBondContact O-N 2.95Å; V396-S400 PolarHBondContact O-OG 3.46Å; V396-P431 HydrophobicContact CG2-CG 4.49Å |
| 397 | P | 95.5 | Very high | 93.8 | Very high | 55 Ų | 55 | 39.9 Ų | 39.9 | 36% | 0.357 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -57.5 | -40.2 | 177.1 | -26.3 | 35 | 0 | 0 | 0 | 113.9 | L353 S401 | L353-P397 HydrophobicContact CD1-CB 3.89Å; L353-P397 HydrophobicContact CD2-CB 4.49Å; P397-S401 VanDerWaalsContact O-CB 3.28Å; P397-S401 WeakPolarHBondContact O-CB 3.42Å; P397-S401 PolarHBondContact O-N 3.04Å; P397-S401 PolarHBondContact O-OG 3.42Å |
| 398 | I | 96.5 | Very high | 94.3 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -73.4 | -44.9 | -179.8 | -65.9 | 170.2 | 0 | 0 | 0 | 110.4 | I349 L353 C379 F391 Y394 I395 V396 S400 S401 L402 F430 | I349-I398 HydrophobicContact CD1-CD1 4.03Å; I349-I398 HydrophobicContact CG2-CD1 4.42Å; L353-I398 HydrophobicContact CD2-CG1 3.98Å; C379-I398 HydrophobicContact CB-CG2 4.43Å; F391-I398 HydrophobicContact CD1-CD1 4.48Å; F391-I398 HydrophobicContact CE1-CD1 3.38Å; F391-I398 HydrophobicContact CE2-CD1 4.38Å; F391-I398 HydrophobicContact CZ-CD1 3.31Å; Y394-I398 WeakPolarHBondContact O-CB 3.35Å; Y394-I398 WeakPolarHBondContact O-CD1 3.35Å; Y394-I398 WeakPolarHBondContact O-CG1 3.39Å; Y394-I398 PolarHBondContact O-N 3.29Å; Y394-I398 VanDerWaalsContact O-N 3.11Å; I395-I398 PolarHBondContact O-N 3.25Å; V396-I398 VanDerWaalsContact C-N 3.31Å; V396-I398 PolarHBondContact O-N 3.26Å; I398-S400 PolarHBondContact O-N 3.08Å; I398-S401 PolarHBondContact O-N 2.96Å; I398-L402 HydrophobicContact CG2-CD1 3.72Å; I398-L402 HydrophobicContact CG2-CG 4.14Å; I398-L402 WeakPolarHBondContact O-CB 3.44Å; I398-L402 WeakPolarHBondContact O-CG 3.44Å; I398-L402 PolarHBondContact O-N 3.3Å; I398-F430 HydrophobicContact CB-CZ 4.38Å; I398-F430 HydrophobicContact CG2-CZ 3.93Å |
| 399 | A | 96.5 | Very high | 95 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.5 | -49.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | I395 V396 S401 L402 V403 F422 F430 Y465 | I395-A399 WeakPolarHBondContact O-CB 3.49Å; I395-A399 PolarHBondContact O-N 2.95Å; V396-A399 PolarHBondContact O-N 3.23Å; A399-S401 PolarHBondContact O-N 3.33Å; A399-L402 PolarHBondContact O-N 3Å; A399-V403 WeakPolarHBondContact O-CG2 3.26Å; A399-V403 PolarHBondContact O-N 3.25Å; A399-F422 HydrophobicContact CB-CE2 4.22Å; A399-F430 HydrophobicContact CB-CB 4.4Å; A399-F430 HydrophobicContact CB-CD1 4.04Å; A399-F430 HydrophobicContact CB-CD2 3.63Å; A399-F430 HydrophobicContact CB-CE1 4.05Å; A399-F430 HydrophobicContact CB-CE2 3.67Å; A399-F430 HydrophobicContact CB-CG 3.78Å; A399-F430 HydrophobicContact CB-CZ 3.86Å; A399-Y465 HydrophobicContact CB-CE1 4.21Å |
| 400 | S | 97.3 | Very high | 95.3 | Very high | 15 Ų | 15 | 30 Ų | 30 | 11% | 0.105 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61 | -44.6 | 177 | -61.4 | 0 | 0 | 0 | 0 | 111.5 | V396 I398 L402 V403 L404 | V396-S400 WeakPolarHBondContact O-CB 3.39Å; V396-S400 PolarHBondContact O-N 2.95Å; V396-S400 PolarHBondContact O-OG 3.46Å; I398-S400 PolarHBondContact O-N 3.08Å; S400-L402 PolarHBondContact O-N 2.93Å; S400-V403 PolarHBondContact O-N 3.2Å; S400-L404 VanDerWaalsContact O-CG 3.24Å; S400-L404 WeakPolarHBondContact O-CG 3.08Å; S400-L404 PolarHBondContact O-N 2.8Å |
| 401 | S | 98.3 | Very high | 95.7 | Very high | 15 Ų | 15 | 29.9 Ų | 29.9 | 11% | 0.105 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.7 | -43.6 | 178.8 | -61.2 | 0 | 0 | 0 | 0 | 112.8 | L353 P397 I398 A399 L404 V405 | L353-S401 WeakPolarHBondContact CD2-OG 3.3Å; P397-S401 VanDerWaalsContact O-CB 3.28Å; P397-S401 WeakPolarHBondContact O-CB 3.42Å; P397-S401 PolarHBondContact O-N 3.04Å; P397-S401 PolarHBondContact O-OG 3.42Å; I398-S401 PolarHBondContact O-N 2.96Å; A399-S401 PolarHBondContact O-N 3.33Å; S401-L404 PolarHBondContact O-N 2.82Å; S401-V405 VanDerWaalsContact O-CG2 3.28Å; S401-V405 WeakPolarHBondContact O-CG2 3.45Å; S401-V405 PolarHBondContact O-N 2.87Å |
| 402 | L | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.5 | -37.5 | 177.9 | -71.1 | 175.5 | 0 | 0 | 0 | 112 | L356 C379 I398 A399 S400 V405 S406 A418 A421 F422 F430 | L356-L402 HydrophobicContact CD1-CD2 4.27Å; L356-L402 HydrophobicContact CD2-CD2 4.01Å; C379-L402 HydrophobicContact CB-CD1 4.12Å; C379-L402 HydrophobicContact CB-CD2 4.24Å; I398-L402 HydrophobicContact CG2-CD1 3.72Å; I398-L402 HydrophobicContact CG2-CG 4.14Å; I398-L402 WeakPolarHBondContact O-CB 3.44Å; I398-L402 WeakPolarHBondContact O-CG 3.44Å; I398-L402 PolarHBondContact O-N 3.3Å; A399-L402 PolarHBondContact O-N 3Å; S400-L402 PolarHBondContact O-N 2.93Å; L402-V405 PolarHBondContact O-N 2.99Å; L402-S406 WeakPolarHBondContact O-CB 3.47Å; L402-S406 PolarHBondContact O-N 3.22Å; L402-S406 PolarHBondContact O-OG 3.26Å; L402-A418 HydrophobicContact CD2-CB 4.22Å; L402-A421 HydrophobicContact CD1-CB 4.07Å; L402-A421 HydrophobicContact CD2-CB 3.94Å; L402-F422 HydrophobicContact CB-CB 4.3Å; L402-F422 HydrophobicContact CB-CD2 4.05Å; L402-F422 HydrophobicContact CD1-CB 4.39Å; L402-F430 HydrophobicContact CD1-CE2 4.13Å; L402-F430 HydrophobicContact CD1-CZ 4.48Å |
| 403 | V | 98 | Very high | 96.4 | Very high | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.012 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.9 | -51.6 | 171.5 | 165.2 | 0 | 0 | 0 | 0 | 110.3 | A399 S400 V405 S406 L407 F422 V459 Y465 M469 | A399-V403 WeakPolarHBondContact O-CG2 3.26Å; A399-V403 PolarHBondContact O-N 3.25Å; S400-V403 PolarHBondContact O-N 3.2Å; V403-V405 VanDerWaalsContact C-N 3.33Å; V403-V405 PolarHBondContact O-N 3.22Å; V403-S406 WeakPolarHBondContact CA-OG 3.47Å; V403-S406 PolarHBondContact O-N 3.03Å; V403-S406 PolarHBondContact O-OG 3.35Å; V403-L407 HydrophobicContact CG1-CD1 3.77Å; V403-L407 HydrophobicContact CG1-CG 4.46Å; V403-L407 WeakPolarHBondContact O-CG 3.2Å; V403-L407 PolarHBondContact O-N 3.4Å; V403-F422 HydrophobicContact CG2-CD2 3.99Å; V403-F422 HydrophobicContact CG2-CE2 3.48Å; V403-F422 VanDerWaalsContact CG2-CE2 3.48Å; V403-F422 HydrophobicContact CG2-CZ 4.14Å; V403-V459 HydrophobicContact CG1-CG1 3.78Å; V403-Y465 HydrophobicContact CB-CD1 4.16Å; V403-Y465 HydrophobicContact CB-CE1 4.4Å; V403-Y465 HydrophobicContact CG1-CD1 4.26Å; V403-Y465 HydrophobicContact CG2-CD1 3.93Å; V403-Y465 HydrophobicContact CG2-CE1 3.79Å; V403-M469 HydrophobicContact CG1-SD 4.19Å |
| 404 | L | 98.5 | Very high | 96.6 | Very high | 15 Ų | 15 | 23.9 Ų | 23.9 | 8% | 0.079 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -57.9 | -44.5 | 179.3 | -66.3 | 177.3 | 0 | 0 | 0 | 112.2 | F357 S400 S401 F408 M469 H472 | F357-L404 HydrophobicContact CE1-CB 3.92Å; F357-L404 HydrophobicContact CE1-CD1 4.43Å; F357-L404 HydrophobicContact CZ-CB 3.85Å; F357-L404 HydrophobicContact CZ-CD1 3.94Å; S400-L404 VanDerWaalsContact O-CG 3.24Å; S400-L404 WeakPolarHBondContact O-CG 3.08Å; S400-L404 PolarHBondContact O-N 2.8Å; S401-L404 PolarHBondContact O-N 2.82Å; L404-F408 HydrophobicContact CD2-CD2 3.98Å; L404-F408 HydrophobicContact CD2-CE2 3.96Å; L404-F408 WeakPolarHBondContact O-CA 3.21Å; L404-F408 WeakPolarHBondContact O-CB 3.42Å; L404-F408 PolarHBondContact O-N 3.35Å; L404-M469 HydrophobicContact CD2-CB 4.16Å; L404-M469 HydrophobicContact CD2-CG 3.64Å; L404-H472 HydrophobicContact CD1-CB 3.92Å; L404-H472 HydrophobicContact CD2-CB 3.71Å; L404-H472 HydrophobicContact CG-CB 4.37Å |
| 405 | V | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66.8 | -43.5 | 177.2 | 178.2 | 0 | 0 | 0 | 0 | 110.9 | L356 F357 S401 L402 V403 L407 D409 V414 A418 | L356-V405 HydrophobicContact CB-CG2 4.1Å; L356-V405 WeakPolarHBondContact O-CG2 3.47Å; F357-V405 HydrophobicContact CD1-CG2 4.15Å; F357-V405 HydrophobicContact CE1-CG2 3.67Å; F357-V405 HydrophobicContact CZ-CG2 3.96Å; S401-V405 VanDerWaalsContact O-CG2 3.28Å; S401-V405 WeakPolarHBondContact O-CG2 3.45Å; S401-V405 PolarHBondContact O-N 2.87Å; L402-V405 PolarHBondContact O-N 2.99Å; V403-V405 VanDerWaalsContact C-N 3.33Å; V403-V405 PolarHBondContact O-N 3.22Å; V405-L407 VanDerWaalsContact C-N 3.27Å; V405-L407 PolarHBondContact O-N 2.84Å; V405-D409 HydrophobicContact CG1-CB 4.15Å; V405-D409 VanDerWaalsContact O-CB 3.23Å; V405-D409 WeakPolarHBondContact O-CB 3.47Å; V405-D409 PolarHBondContact O-N 3.4Å; V405-D409 VanDerWaalsContact O-N 3.1Å; V405-V414 HydrophobicContact CG1-CG1 3.53Å; V405-A418 HydrophobicContact CB-CB 3.81Å; V405-A418 HydrophobicContact CG1-CB 3.57Å |
| 406 | S | 98 | Very high | 97.1 | Very high | 5 Ų | 5 | 25.3 Ų | 25.3 | 4% | 0.035 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.1 | -31.7 | -179.6 | 73.7 | 0 | 0 | 0 | 0 | 113.3 | L402 V403 R415 | L402-S406 WeakPolarHBondContact O-CB 3.47Å; L402-S406 PolarHBondContact O-N 3.22Å; L402-S406 PolarHBondContact O-OG 3.26Å; V403-S406 WeakPolarHBondContact CA-OG 3.47Å; V403-S406 PolarHBondContact O-N 3.03Å; V403-S406 PolarHBondContact O-OG 3.35Å; S406-R415 WeakPolarHBondContact O-CB 3.37Å; S406-R415 VanDerWaalsContact O-CD 3.23Å; S406-R415 WeakPolarHBondContact O-CD 3.34Å; S406-R415 WeakPolarHBondContact O-CG 3.32Å |
| 407 | L | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -94.3 | -38.8 | -177.7 | -64.9 | 177.2 | 0 | 0 | 0 | 112.9 | V403 V405 C451 L455 V459 M469 | V403-L407 HydrophobicContact CG1-CD1 3.77Å; V403-L407 HydrophobicContact CG1-CG 4.46Å; V403-L407 WeakPolarHBondContact O-CG 3.2Å; V403-L407 PolarHBondContact O-N 3.4Å; V405-L407 VanDerWaalsContact C-N 3.27Å; V405-L407 PolarHBondContact O-N 2.84Å; L407-C451 WeakPolarHBondContact O-CB 3.46Å; L407-L455 HydrophobicContact CD2-CB 3.63Å; L407-L455 HydrophobicContact CD2-CD1 4.27Å; L407-V459 HydrophobicContact CD1-CB 4.28Å; L407-V459 HydrophobicContact CD1-CG2 4.18Å; L407-M469 HydrophobicContact CD1-CE 3.64Å; L407-M469 HydrophobicContact CD1-SD 4.15Å |
| 408 | F | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -119.2 | 1.9 | -164.2 | -52.6 | -52.2 | 0 | 0 | 0 | 114.8 | L404 Y452 M469 H472 L473 R477 | L404-F408 HydrophobicContact CD2-CD2 3.98Å; L404-F408 HydrophobicContact CD2-CE2 3.96Å; L404-F408 WeakPolarHBondContact O-CA 3.21Å; L404-F408 WeakPolarHBondContact O-CB 3.42Å; L404-F408 PolarHBondContact O-N 3.35Å; F408-Y452 HydrophobicContact CB-CE1 4.46Å; F408-Y452 HydrophobicContact CB-CE2 4.3Å; F408-Y452 AromaticContact CD1-CD1 3.73Å; F408-Y452 HydrophobicContact CD1-CD1 3.73Å; F408-Y452 HydrophobicContact CD1-CD2 4.01Å; F408-Y452 AromaticContact CD1-CE1 3.58Å; F408-Y452 HydrophobicContact CD1-CE1 3.58Å; F408-Y452 AromaticContact CD1-CE2 3.89Å; F408-Y452 HydrophobicContact CD1-CE2 3.89Å; F408-Y452 AromaticContact CD1-CG 3.96Å; F408-Y452 HydrophobicContact CD1-CG 3.96Å; F408-Y452 AromaticContact CD1-CZ 3.67Å; F408-Y452 HydrophobicContact CE1-CD1 4Å; F408-Y452 HydrophobicContact CE1-CE1 4.24Å; F408-Y452 HydrophobicContact CE1-CG 4.24Å; F408-Y452 HydrophobicContact CG-CE1 4.38Å; F408-Y452 PolarHBondContact O-OH 3.37Å; F408-M469 HydrophobicContact CE2-CB 3.99Å; F408-M469 HydrophobicContact CE2-CE 4Å; F408-M469 HydrophobicContact CE2-CG 3.93Å; F408-M469 HydrophobicContact CZ-CB 4.38Å; F408-M469 HydrophobicContact CZ-CE 3.67Å; F408-M469 HydrophobicContact CZ-CG 4.48Å; F408-H472 AromaticContact CD2-CD2 3.8Å; F408-L473 HydrophobicContact CD1-CD2 3.88Å; F408-L473 HydrophobicContact CD2-CD2 4.34Å; F408-L473 HydrophobicContact CE1-CD1 4.43Å; F408-L473 HydrophobicContact CE1-CD2 3.8Å; F408-L473 HydrophobicContact CE1-CG 4.4Å; F408-L473 HydrophobicContact CE2-CD2 4.25Å; F408-L473 HydrophobicContact CE2-CG 4.3Å; F408-L473 HydrophobicContact CG-CD2 4.15Å; F408-L473 HydrophobicContact CZ-CD1 4.13Å; F408-L473 HydrophobicContact CZ-CD2 3.97Å; F408-L473 HydrophobicContact CZ-CG 4.1Å; F408-R477 HydrophobicContact CB-CG 4.46Å; F408-R477 PolarHBondContact O-NE 3.05Å; F408-R477 PolarHBondContact O-NH1 2.94Å; F408-R477 PolarHBondContact O-NH2 3.49Å |
| 409 | D | 97.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.107 | C | C | . | . | trans | -68.5 | 143.4 | 170.5 | -155 | -78 | 0 | 0 | 0 | 111.2 | R372 V405 E411 V414 R415 | R372-D409 WeakPolarHBondContact CD-OD2 3.38Å; R372-D409 IonicContact CZ-OD1 3.05Å; R372-D409 IonicContact CZ-OD2 3.62Å; R372-D409 IonicContact NE-OD1 2.82Å; R372-D409 IonicContact NE-OD2 3.53Å; R372-D409 PolarHBondContact NE-OD2 3.41Å; R372-D409 IonicContact NH2-OD1 3.35Å; R372-D409 PolarHBondContact NH2-OD1 2.9Å; R372-D409 VanDerWaalsContact NH2-OD1 3.17Å; R372-D409 IonicContact NH2-OD2 3.67Å; R372-D409 PolarHBondContact NH2-OD2 3.44Å; V405-D409 HydrophobicContact CG1-CB 4.15Å; V405-D409 VanDerWaalsContact O-CB 3.23Å; V405-D409 WeakPolarHBondContact O-CB 3.47Å; V405-D409 PolarHBondContact O-N 3.4Å; V405-D409 VanDerWaalsContact O-N 3.1Å; D409-E411 PolarHBondContact OD1-N 3.16Å; D409-V414 HydrophobicContact CB-CB 4.31Å; D409-V414 HydrophobicContact CB-CG1 4.09Å; D409-R415 HydrophobicContact CB-CG 3.85Å; D409-R415 WeakPolarHBondContact O-CD 2.97Å; D409-R415 WeakPolarHBondContact O-CG 3.4Å; D409-R415 PolarHBondContact O-NH1 3Å | ||
| 410 | R | 94.8 | Very high | 97.4 | Very high | 76 Ų | 76 | 21.7 Ų | 21.7 | 29% | 0.287 | 12% | 0.12 | S | C | . | . | S | Bend | trans | -65.4 | -42 | 175.7 | 176.3 | -175.9 | 150.6 | 120.4 | -7.1 | 111.1 | R415 D482 I485 | R410-R415 PolarHBondContact O-NH1 3.36Å; R410-D482 IonicContact CZ-OD2 2.7Å; R410-D482 IonicContact NE-OD2 3.8Å; R410-D482 IonicContact NH1-OD2 3.07Å; R410-D482 PolarHBondContact NH1-OD2 2.93Å; R410-I485 HydrophobicContact CB-CD1 4.07Å; R410-I485 HydrophobicContact CB-CG1 4.36Å; R410-I485 HydrophobicContact CG-CD1 4.43Å; R410-I485 HydrophobicContact CG-CG1 4.47Å |
| 411 | E | 95.3 | Very high | 97.3 | Very high | 64 Ų | 64 | 21 Ų | 21 | 30% | 0.299 | 12% | 0.115 | S | C | . | . | S | Bend | trans | -87.9 | 125.8 | -169.7 | -60.7 | -55.1 | 141.1 | 0 | 0 | 111.5 | D409 S413 V414 R415 | D409-E411 PolarHBondContact OD1-N 3.16Å; E411-S413 VanDerWaalsContact C-N 3.31Å; E411-S413 PolarHBondContact O-N 2.73Å; E411-V414 HydrophobicContact CB-CB 4.24Å; E411-V414 HydrophobicContact CB-CG2 3.85Å; E411-V414 PolarHBondContact O-N 3.11Å; E411-V414 VanDerWaalsContact O-N 3.16Å; E411-R415 PolarHBondContact O-N 2.83Å |
| 412 | V | 96.3 | Very high | 97.2 | Very high | 61 Ų | 61 | 20.5 Ų | 20.5 | 37% | 0.37 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -63.9 | -35.3 | -175.3 | 64.8 | 0 | 0 | 0 | 0 | 112.9 | V414 R415 R416 | V412-V414 VanDerWaalsContact C-N 3.31Å; V412-V414 PolarHBondContact O-N 3.09Å; V412-R415 PolarHBondContact O-N 3.02Å; V412-R416 WeakPolarHBondContact O-CB 3.16Å; V412-R416 WeakPolarHBondContact O-CG 3.32Å; V412-R416 PolarHBondContact O-N 2.83Å |
| 413 | S | 96 | Very high | 97 | Very high | 64 Ų | 64 | 25.5 Ų | 25.5 | 45% | 0.448 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -63.4 | -39.4 | 176.4 | 54.7 | 0 | 0 | 0 | 0 | 111.4 | E411 R416 A417 | E411-S413 VanDerWaalsContact C-N 3.31Å; E411-S413 PolarHBondContact O-N 2.73Å; S413-R416 PolarHBondContact O-N 3.03Å; S413-A417 WeakPolarHBondContact O-CB 3.39Å; S413-A417 PolarHBondContact O-N 2.84Å |
| 414 | V | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -70 | -43.5 | 179 | -178.3 | 0 | 0 | 0 | 0 | 110.7 | S369 R372 D373 V405 D409 E411 V412 R416 A417 A418 | S369-V414 VanDerWaalsContact O-CG2 3.32Å; S369-V414 WeakPolarHBondContact O-CG2 3.49Å; R372-V414 HydrophobicContact CB-CG1 3.7Å; R372-V414 HydrophobicContact CB-CG2 4.41Å; D373-V414 HydrophobicContact CB-CG2 4.32Å; V405-V414 HydrophobicContact CG1-CG1 3.53Å; D409-V414 HydrophobicContact CB-CB 4.31Å; D409-V414 HydrophobicContact CB-CG1 4.09Å; E411-V414 HydrophobicContact CB-CB 4.24Å; E411-V414 HydrophobicContact CB-CG2 3.85Å; E411-V414 PolarHBondContact O-N 3.11Å; E411-V414 VanDerWaalsContact O-N 3.16Å; V412-V414 VanDerWaalsContact C-N 3.31Å; V412-V414 PolarHBondContact O-N 3.09Å; V414-R416 VanDerWaalsContact C-N 3.28Å; V414-R416 PolarHBondContact O-N 3.32Å; V414-A417 PolarHBondContact O-N 3.36Å; V414-A418 WeakPolarHBondContact O-CB 3.5Å; V414-A418 PolarHBondContact O-N 3.15Å |
| 415 | R | 98.1 | Very high | 96.3 | Very high | 6 Ų | 6 | 27.7 Ų | 27.7 | 2% | 0.023 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57 | -43.7 | 174.2 | -69.2 | -161.5 | -60.2 | -80.6 | -2 | 111.8 | S406 D409 R410 E411 V412 A418 S419 V445 G446 | S406-R415 WeakPolarHBondContact O-CB 3.37Å; S406-R415 VanDerWaalsContact O-CD 3.23Å; S406-R415 WeakPolarHBondContact O-CD 3.34Å; S406-R415 WeakPolarHBondContact O-CG 3.32Å; D409-R415 HydrophobicContact CB-CG 3.85Å; D409-R415 WeakPolarHBondContact O-CD 2.97Å; D409-R415 WeakPolarHBondContact O-CG 3.4Å; D409-R415 PolarHBondContact O-NH1 3Å; R410-R415 PolarHBondContact O-NH1 3.36Å; E411-R415 PolarHBondContact O-N 2.83Å; V412-R415 PolarHBondContact O-N 3.02Å; R415-A418 PolarHBondContact O-N 3.4Å; R415-S419 PolarHBondContact O-N 2.88Å; R415-V445 HydrophobicContact CB-CB 4.43Å; R415-V445 HydrophobicContact CB-CG2 4.33Å; R415-V445 PolarHBondContact NE-O 3.35Å; R415-G446 PolarHBondContact NH2-O 2.85Å |
| 416 | R | 97.4 | Very high | 95.7 | Very high | 73 Ų | 73 | 28.5 Ų | 28.5 | 28% | 0.275 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -65.5 | -43.4 | 176.5 | -81.8 | 176.2 | 167.1 | 177.8 | 6.2 | 113.1 | V412 S413 V414 A418 S419 A420 Y442 V445 | V412-R416 WeakPolarHBondContact O-CB 3.16Å; V412-R416 WeakPolarHBondContact O-CG 3.32Å; V412-R416 PolarHBondContact O-N 2.83Å; S413-R416 PolarHBondContact O-N 3.03Å; V414-R416 VanDerWaalsContact C-N 3.28Å; V414-R416 PolarHBondContact O-N 3.32Å; R416-A418 VanDerWaalsContact C-N 3.32Å; R416-S419 PolarHBondContact O-N 3.25Å; R416-A420 WeakPolarHBondContact O-CB 3.47Å; R416-A420 PolarHBondContact O-N 3.07Å; R416-Y442 HydrophobicContact CB-CD2 3.74Å; R416-Y442 HydrophobicContact CB-CE2 3.53Å; R416-Y442 HydrophobicContact CG-CD2 3.81Å; R416-Y442 HydrophobicContact CG-CE2 3.71Å; R416-Y442 HydrophobicContact CG-CG 4.28Å; R416-Y442 WeakPolarHBondContact CG-O 3.34Å; R416-Y442 PolarHBondContact NE-O 3.34Å; R416-V445 HydrophobicContact CG-CG2 4.08Å |
| 417 | A | 97.9 | Very high | 94.7 | Very high | 22 Ų | 22 | 31.6 Ų | 31.6 | 18% | 0.182 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.7 | -40.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | D373 C376 S413 V414 A420 A421 | D373-A417 WeakPolarHBondContact OD1-CB 3.09Å; C376-A417 HydrophobicContact CB-CB 3.78Å; S413-A417 WeakPolarHBondContact O-CB 3.39Å; S413-A417 PolarHBondContact O-N 2.84Å; V414-A417 PolarHBondContact O-N 3.36Å; A417-A420 PolarHBondContact O-N 2.77Å; A417-A421 VanDerWaalsContact O-CB 3.32Å; A417-A421 WeakPolarHBondContact O-CB 3.5Å; A417-A421 PolarHBondContact O-N 2.89Å |
| 418 | A | 98.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.1 | -43.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | L402 V405 V414 R415 R416 A421 F422 | L402-A418 HydrophobicContact CD2-CB 4.22Å; V405-A418 HydrophobicContact CB-CB 3.81Å; V405-A418 HydrophobicContact CG1-CB 3.57Å; V414-A418 WeakPolarHBondContact O-CB 3.5Å; V414-A418 PolarHBondContact O-N 3.15Å; R415-A418 PolarHBondContact O-N 3.4Å; R416-A418 VanDerWaalsContact C-N 3.32Å; A418-A421 PolarHBondContact O-N 3.03Å; A418-F422 WeakPolarHBondContact O-CB 3.24Å; A418-F422 PolarHBondContact O-N 3.11Å |
| 419 | S | 97 | Very high | 92.4 | Very high | 3 Ų | 3 | 39.5 Ų | 39.5 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.3 | -44.8 | 174 | 175.4 | 0 | 0 | 0 | 0 | 111.6 | R415 R416 A421 F422 Q423 C440 Y442 | R415-S419 PolarHBondContact O-N 2.88Å; R416-S419 PolarHBondContact O-N 3.25Å; S419-A421 PolarHBondContact O-N 3.49Å; S419-F422 WeakPolarHBondContact O-CB 3.34Å; S419-F422 PolarHBondContact O-N 3.05Å; S419-Q423 WeakPolarHBondContact O-CB 3.36Å; S419-Q423 PolarHBondContact O-N 3.35Å; S419-C440 PolarHBondContact OG-O 3.43Å; S419-Y442 PolarHBondContact OG-N 3.33Å |
| 420 | A | 95.8 | Very high | 92.1 | Very high | 34 Ų | 34 | 39.8 Ų | 39.8 | 28% | 0.281 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.3 | -38.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R416 A417 Q423 E424 | R416-A420 WeakPolarHBondContact O-CB 3.47Å; R416-A420 PolarHBondContact O-N 3.07Å; A417-A420 PolarHBondContact O-N 2.77Å; A420-Q423 WeakPolarHBondContact O-CB 3.35Å; A420-Q423 PolarHBondContact O-N 2.91Å; A420-E424 PolarHBondContact O-N 3.38Å |
| 421 | A | 95.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67 | -38.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | C376 C379 W380 L402 A417 A418 S419 N425 | C376-A421 HydrophobicContact CB-CB 4.3Å; C376-A421 WeakPolarHBondContact O-CB 3.12Å; C379-A421 HydrophobicContact CB-CB 4.15Å; W380-A421 HydrophobicContact CB-CB 4.1Å; L402-A421 HydrophobicContact CD1-CB 4.07Å; L402-A421 HydrophobicContact CD2-CB 3.94Å; A417-A421 VanDerWaalsContact O-CB 3.32Å; A417-A421 WeakPolarHBondContact O-CB 3.5Å; A417-A421 PolarHBondContact O-N 2.89Å; A418-A421 PolarHBondContact O-N 3.03Å; S419-A421 PolarHBondContact O-N 3.49Å; A421-N425 PolarHBondContact O-N 2.81Å; A421-N425 PolarHBondContact O-ND2 3.38Å |
| 422 | F | 96 | Very high | 91.8 | Very high | 6 Ų | 6 | 37.9 Ų | 37.9 | 3% | 0.026 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.2 | -48 | 174.9 | -171.2 | -85.8 | 0 | 0 | 0 | 110.3 | A399 L402 V403 A418 S419 E424 N425 V426 F430 I436 | A399-F422 HydrophobicContact CB-CE2 4.22Å; L402-F422 HydrophobicContact CB-CB 4.3Å; L402-F422 HydrophobicContact CB-CD2 4.05Å; L402-F422 HydrophobicContact CD1-CB 4.39Å; V403-F422 HydrophobicContact CG2-CD2 3.99Å; V403-F422 HydrophobicContact CG2-CE2 3.48Å; V403-F422 VanDerWaalsContact CG2-CE2 3.48Å; V403-F422 HydrophobicContact CG2-CZ 4.14Å; A418-F422 WeakPolarHBondContact O-CB 3.24Å; A418-F422 PolarHBondContact O-N 3.11Å; S419-F422 WeakPolarHBondContact O-CB 3.34Å; S419-F422 PolarHBondContact O-N 3.05Å; F422-E424 PolarHBondContact O-N 3.49Å; F422-N425 CarbonylContact O-C 3.59Å; F422-N425 WeakPolarHBondContact O-CA 3.28Å; F422-N425 PolarHBondContact O-N 2.9Å; F422-V426 HydrophobicContact CD1-CG2 3.88Å; F422-V426 HydrophobicContact CE1-CG2 3.85Å; F422-V426 WeakPolarHBondContact O-CG2 3.5Å; F422-V426 PolarHBondContact O-N 3.49Å; F422-F430 HydrophobicContact CD1-CD2 4.42Å; F422-F430 AromaticContact CD2-CD2 3.58Å; F422-F430 HydrophobicContact CD2-CD2 3.58Å; F422-F430 AromaticContact CD2-CE2 3.74Å; F422-F430 HydrophobicContact CD2-CE2 3.74Å; F422-F430 HydrophobicContact CE1-CD2 4.32Å; F422-F430 AromaticContact CE2-CD2 3.45Å; F422-F430 HydrophobicContact CE2-CD2 3.45Å; F422-F430 VanDerWaalsContact CE2-CD2 3.45Å; F422-F430 HydrophobicContact CE2-CE2 4Å; F422-F430 HydrophobicContact CE2-CG 4.44Å; F422-F430 HydrophobicContact CG-CD2 4.08Å; F422-F430 HydrophobicContact CG-CE2 4.3Å; F422-F430 HydrophobicContact CZ-CB 4.29Å; F422-F430 AromaticContact CZ-CD2 3.85Å; F422-F430 HydrophobicContact CZ-CD2 3.85Å; F422-I436 HydrophobicContact CE1-CB 4.03Å; F422-I436 HydrophobicContact CE1-CG2 3.8Å; F422-I436 HydrophobicContact CZ-CB 4.18Å; F422-I436 HydrophobicContact CZ-CD1 4.27Å; F422-I436 HydrophobicContact CZ-CG2 3.92Å |
| 423 | Q | 94.1 | Very high | 91.6 | Very high | 105 Ų | 105 | 35.1 Ų | 35.1 | 49% | 0.491 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -50.6 | -50.9 | 176.3 | -179.6 | 168.5 | 5.6 | 0 | 0 | 112.7 | S419 A420 N425 V426 L437 | S419-Q423 WeakPolarHBondContact O-CB 3.36Å; S419-Q423 PolarHBondContact O-N 3.35Å; A420-Q423 WeakPolarHBondContact O-CB 3.35Å; A420-Q423 PolarHBondContact O-N 2.91Å; Q423-N425 PolarHBondContact O-N 3.47Å; Q423-V426 PolarHBondContact O-N 3.24Å; Q423-V426 VanDerWaalsContact O-N 3.15Å; Q423-L437 HydrophobicContact CB-CD1 3.42Å; Q423-L437 VanDerWaalsContact CB-CD1 3.42Å; Q423-L437 HydrophobicContact CB-CD2 4.27Å; Q423-L437 HydrophobicContact CB-CG 4.47Å; Q423-L437 HydrophobicContact CG-CD1 3.58Å; Q423-L437 HydrophobicContact CG-CD2 3.71Å; Q423-L437 HydrophobicContact CG-CG 4.28Å |
| 424 | E | 91.2 | Very high | 91.5 | Very high | 62 Ų | 62 | 37.6 Ų | 37.6 | 29% | 0.29 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.9 | -26.6 | -179.7 | -168.3 | 72.9 | -150.9 | 0 | 0 | 112.3 | W380 A383 R384 A420 F422 | W380-E424 HydrophobicContact CG-CB 4.42Å; W380-E424 HydrophobicContact CG-CG 4.42Å; W380-E424 PolarHBondContact NE1-OE2 3.24Å; W380-E424 VanDerWaalsContact NE1-OE2 3.11Å; A383-E424 HydrophobicContact CB-CB 4.02Å; A383-E424 HydrophobicContact CB-CG 3.54Å; R384-E424 WeakPolarHBondContact CD-OE1 3.45Å; R384-E424 HydrophobicContact CG-CG 3.85Å; R384-E424 WeakPolarHBondContact CG-OE1 3.41Å; R384-E424 IonicContact CZ-OE1 2.81Å; R384-E424 IonicContact NE-OE1 3.81Å; R384-E424 IonicContact NH1-OE1 3.24Å; R384-E424 PolarHBondContact NH1-OE1 3.47Å; R384-E424 IonicContact NH1-OE2 3.17Å; A420-E424 PolarHBondContact O-N 3.38Å; F422-E424 PolarHBondContact O-N 3.49Å |
| 425 | N | 90.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -89.9 | -11.7 | 177.8 | -76.9 | -77.8 | 0 | 0 | 0 | 114.3 | C379 A383 A421 F422 Q423 G427 R428 F430 | C379-N425 PolarHBondContact O-ND2 3.49Å; A383-N425 HydrophobicContact CB-CB 4.47Å; A383-N425 VanDerWaalsContact CB-CG 3.47Å; A383-N425 WeakPolarHBondContact CB-ND2 3.4Å; A383-N425 VanDerWaalsContact CB-OD1 3.28Å; A383-N425 WeakPolarHBondContact CB-OD1 3.07Å; A421-N425 PolarHBondContact O-N 2.81Å; A421-N425 PolarHBondContact O-ND2 3.38Å; F422-N425 CarbonylContact O-C 3.59Å; F422-N425 WeakPolarHBondContact O-CA 3.28Å; F422-N425 PolarHBondContact O-N 2.9Å; Q423-N425 PolarHBondContact O-N 3.47Å; N425-G427 PolarHBondContact O-N 2.76Å; N425-R428 WeakPolarHBondContact O-CA 3.47Å; N425-R428 VanDerWaalsContact O-CB 3.25Å; N425-R428 WeakPolarHBondContact O-CB 3.36Å; N425-R428 PolarHBondContact O-N 3.3Å; N425-F430 HydrophobicContact CB-CD1 3.98Å; N425-F430 HydrophobicContact CB-CD2 3.78Å; N425-F430 HydrophobicContact CB-CE1 3.54Å; N425-F430 HydrophobicContact CB-CE2 3.3Å; N425-F430 HydrophobicContact CB-CG 4.14Å; N425-F430 HydrophobicContact CB-CZ 3.19Å |
| 426 | V | 85.8 | Confident | 91.2 | Very high | 18 Ų | 18 | 42 Ų | 42 | 11% | 0.109 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.1 | -38 | -179.8 | 173 | 0 | 0 | 0 | 0 | 111.8 | F422 Q423 R428 Q429 G433 I434 L437 | F422-V426 HydrophobicContact CD1-CG2 3.88Å; F422-V426 HydrophobicContact CE1-CG2 3.85Å; F422-V426 WeakPolarHBondContact O-CG2 3.5Å; F422-V426 PolarHBondContact O-N 3.49Å; Q423-V426 PolarHBondContact O-N 3.24Å; Q423-V426 VanDerWaalsContact O-N 3.15Å; V426-R428 PolarHBondContact O-N 3.1Å; V426-Q429 PolarHBondContact O-N 3.05Å; V426-Q429 VanDerWaalsContact O-N 3.12Å; V426-G433 WeakPolarHBondContact CG2-O 3.4Å; V426-I434 HydrophobicContact CG1-CB 4.46Å; V426-I434 HydrophobicContact CG1-CG1 3.6Å; V426-L437 HydrophobicContact CG2-CB 4.08Å; V426-L437 HydrophobicContact CG2-CD2 4.12Å |
| 427 | G | 77.1 | Confident | 90.9 | Very high | 69 Ų | 69 | 40.1 Ų | 40.1 | 71% | 0.711 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -7.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | N425 | N425-G427 PolarHBondContact O-N 2.76Š|
| 428 | R | 69.7 | Low | 90.7 | Very high | 6 Ų | 6 | 43.9 Ų | 43.9 | 2% | 0.023 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 22.5 | 177.5 | -54.4 | 178.6 | 165.3 | -139.1 | -5.1 | 113.1 | F382 A383 Y386 P388 I395 N425 V426 | F382-R428 PolarHBondContact O-NH2 3.02Å; A383-R428 VanDerWaalsContact CA-NH2 3.29Å; A383-R428 VanDerWaalsContact O-CZ 3.22Å; A383-R428 PolarHBondContact O-NE 2.95Å; A383-R428 VanDerWaalsContact O-NE 3.08Å; A383-R428 PolarHBondContact O-NH2 2.72Å; Y386-R428 PolarHBondContact O-NH2 3.13Å; P388-R428 HydrophobicContact CG-CG 4.45Å; I395-R428 VanDerWaalsContact CD1-O 3.29Å; I395-R428 WeakPolarHBondContact CD1-O 3.26Å; N425-R428 WeakPolarHBondContact O-CA 3.47Å; N425-R428 VanDerWaalsContact O-CB 3.25Å; N425-R428 WeakPolarHBondContact O-CB 3.36Å; N425-R428 PolarHBondContact O-N 3.3Å; V426-R428 PolarHBondContact O-N 3.1Å |
| 429 | Q | 78.4 | Confident | 90.4 | Very high | 160 Ų | 160 | 46.1 Ų | 46.1 | 75% | 0.748 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | 38.3 | 177.7 | -48.8 | -65 | -41.3 | 0 | 0 | 113.1 | V426 | V426-Q429 PolarHBondContact O-N 3.05Å; V426-Q429 VanDerWaalsContact O-N 3.12Å |
| 430 | F | 90.8 | Very high | 90.2 | Very high | 6 Ų | 6 | 46.2 Ų | 46.2 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | trans | -54 | 128.7 | 163.5 | -85.9 | 16.9 | 0 | 0 | 0 | 108.6 | I395 I398 A399 L402 F422 N425 H432 G433 | I395-F430 HydrophobicContact CB-CE1 4.45Å; I395-F430 HydrophobicContact CG1-CE1 4.47Å; I395-F430 HydrophobicContact CG2-CD1 3.73Å; I395-F430 HydrophobicContact CG2-CE1 4.04Å; I398-F430 HydrophobicContact CB-CZ 4.38Å; I398-F430 HydrophobicContact CG2-CZ 3.93Å; A399-F430 HydrophobicContact CB-CB 4.4Å; A399-F430 HydrophobicContact CB-CD1 4.04Å; A399-F430 HydrophobicContact CB-CD2 3.63Å; A399-F430 HydrophobicContact CB-CE1 4.05Å; A399-F430 HydrophobicContact CB-CE2 3.67Å; A399-F430 HydrophobicContact CB-CG 3.78Å; A399-F430 HydrophobicContact CB-CZ 3.86Å; L402-F430 HydrophobicContact CD1-CE2 4.13Å; L402-F430 HydrophobicContact CD1-CZ 4.48Å; F422-F430 HydrophobicContact CD1-CD2 4.42Å; F422-F430 AromaticContact CD2-CD2 3.58Å; F422-F430 HydrophobicContact CD2-CD2 3.58Å; F422-F430 AromaticContact CD2-CE2 3.74Å; F422-F430 HydrophobicContact CD2-CE2 3.74Å; F422-F430 HydrophobicContact CE1-CD2 4.32Å; F422-F430 AromaticContact CE2-CD2 3.45Å; F422-F430 HydrophobicContact CE2-CD2 3.45Å; F422-F430 VanDerWaalsContact CE2-CD2 3.45Å; F422-F430 HydrophobicContact CE2-CE2 4Å; F422-F430 HydrophobicContact CE2-CG 4.44Å; F422-F430 HydrophobicContact CG-CD2 4.08Å; F422-F430 HydrophobicContact CG-CE2 4.3Å; F422-F430 HydrophobicContact CZ-CB 4.29Å; F422-F430 AromaticContact CZ-CD2 3.85Å; F422-F430 HydrophobicContact CZ-CD2 3.85Å; N425-F430 HydrophobicContact CB-CD1 3.98Å; N425-F430 HydrophobicContact CB-CD2 3.78Å; N425-F430 HydrophobicContact CB-CE1 3.54Å; N425-F430 HydrophobicContact CB-CE2 3.3Å; N425-F430 HydrophobicContact CB-CG 4.14Å; N425-F430 HydrophobicContact CB-CZ 3.19Å; F430-H432 PolarHBondContact O-N 3.32Å; F430-G433 WeakPolarHBondContact O-CA 3.5Å; F430-G433 PolarHBondContact O-N 2.89Å | ||
| 431 | P | 90.5 | Very high | 90 | Very high | 30 Ų | 30 | 47.1 Ų | 47.1 | 20% | 0.195 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 125.4 | -177.7 | -26.8 | 33.1 | 0 | 0 | 0 | 110.7 | V396 G433 E464 Y465 | V396-P431 HydrophobicContact CG2-CG 4.49Å; P431-G433 PolarHBondContact O-N 3.34Å; P431-E464 HydrophobicContact CB-CG 4.39Å; P431-Y465 HydrophobicContact CB-CE2 4.25Å; P431-Y465 WeakPolarHBondContact CD-OH 3.27Å; P431-Y465 WeakPolarHBondContact O-CE2 3.5Å; P431-Y465 PolarHBondContact O-OH 2.96Å |
| 432 | H | 93.8 | Very high | 89.7 | Confident | 70 Ų | 70 | 52 Ų | 52 | 32% | 0.324 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 27.3 | 179.8 | -49.1 | 99.4 | 0 | 0 | 0 | 113.9 | F430 I434 E435 I436 F462 E464 | F430-H432 PolarHBondContact O-N 3.32Å; H432-I434 VanDerWaalsContact C-N 3.34Å; H432-I434 PolarHBondContact O-N 3.37Å; H432-E435 PolarHBondContact O-N 3.29Å; H432-I436 HydrophobicContact CB-CD1 4.32Å; H432-I436 WeakPolarHBondContact O-CG1 3.3Å; H432-I436 PolarHBondContact O-N 2.91Å; H432-F462 HydrophobicContact CB-CB 4.49Å; H432-F462 HydrophobicContact CB-CD1 3.47Å; H432-F462 VanDerWaalsContact CB-CD1 3.47Å; H432-F462 HydrophobicContact CB-CD2 4.17Å; H432-F462 HydrophobicContact CB-CE1 3.57Å; H432-F462 HydrophobicContact CB-CE2 4.28Å; H432-F462 HydrophobicContact CB-CG 3.78Å; H432-F462 HydrophobicContact CB-CZ 3.98Å; H432-F462 AromaticContact CD2-CD1 3.35Å; H432-F462 WeakPolarHBondContact CD2-CD1 3.46Å; H432-F462 AromaticContact CD2-CE1 3.52Å; H432-F462 AromaticContact CE1-CD1 3.93Å; H432-F462 AromaticContact CG-CD1 3.15Å; H432-F462 AromaticContact CG-CE1 3.57Å; H432-F462 AromaticContact CG-CG 3.76Å; H432-F462 AromaticContact ND1-CD1 3.55Å; H432-F462 AromaticContact ND1-CG 3.91Å; H432-F462 AromaticContact NE2-CD1 3.84Å; H432-E464 IonicContact CE1-OE1 3.38Å; H432-E464 PolarHBondContact CE1-OE1 2.95Å; H432-E464 IonicContact CE1-OE2 3.4Å; H432-E464 PolarHBondContact CE1-OE2 2.91Å; H432-E464 VanDerWaalsContact CE1-OE2 3.28Å; H432-E464 IonicContact ND1-OE2 3.72Å; H432-E464 PolarHBondContact ND1-OE2 3.39Å |
| 433 | G | 92.1 | Very high | 89.4 | Confident | 3 Ų | 3 | 59 Ų | 59 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.2 | -31.6 | -168 | 0 | 0 | 0 | 0 | 0 | 114.1 | V426 F430 P431 L437 | V426-G433 WeakPolarHBondContact CG2-O 3.4Å; F430-G433 WeakPolarHBondContact O-CA 3.5Å; F430-G433 PolarHBondContact O-N 2.89Å; P431-G433 PolarHBondContact O-N 3.34Å; G433-L437 WeakPolarHBondContact O-CB 3.24Å; G433-L437 PolarHBondContact O-N 3.37Å |
| 434 | I | 92.3 | Very high | 89.3 | Confident | 116 Ų | 116 | 56.2 Ų | 56.2 | 60% | 0.595 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -70.2 | -46.7 | 179.6 | -63.6 | 176.4 | 0 | 0 | 0 | 109.8 | V426 H432 L437 T438 | V426-I434 HydrophobicContact CG1-CB 4.46Å; V426-I434 HydrophobicContact CG1-CG1 3.6Å; H432-I434 VanDerWaalsContact C-N 3.34Å; H432-I434 PolarHBondContact O-N 3.37Å; I434-L437 PolarHBondContact O-N 2.87Å; I434-T438 WeakPolarHBondContact O-CB 3.26Å; I434-T438 PolarHBondContact O-N 3.15Å; I434-T438 PolarHBondContact O-OG1 2.81Å |
| 435 | E | 94.4 | Very high | 89.5 | Confident | 94 Ų | 94 | 53.2 Ų | 53.2 | 44% | 0.439 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 179.7 | -61.2 | 93.5 | 140.7 | 0 | 0 | 111.3 | H432 T439 F462 | H432-E435 PolarHBondContact O-N 3.29Å; E435-T439 PolarHBondContact O-N 2.61Å; E435-T439 PolarHBondContact O-OG1 3.35Å; E435-T439 VanDerWaalsContact O-OG1 3.12Å; E435-F462 HydrophobicContact CB-CZ 3.82Å |
| 436 | I | 95.5 | Very high | 89.6 | Confident | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.7 | -49.1 | 175.7 | -66.8 | 171 | 0 | 0 | 0 | 110.7 | F422 H432 T438 T439 C440 V459 F462 Y465 | F422-I436 HydrophobicContact CE1-CB 4.03Å; F422-I436 HydrophobicContact CE1-CG2 3.8Å; F422-I436 HydrophobicContact CZ-CB 4.18Å; F422-I436 HydrophobicContact CZ-CD1 4.27Å; F422-I436 HydrophobicContact CZ-CG2 3.92Å; H432-I436 HydrophobicContact CB-CD1 4.32Å; H432-I436 WeakPolarHBondContact O-CG1 3.3Å; H432-I436 PolarHBondContact O-N 2.91Å; I436-T438 VanDerWaalsContact C-N 3.28Å; I436-T438 PolarHBondContact O-N 2.95Å; I436-T439 PolarHBondContact O-N 3.16Å; I436-C440 HydrophobicContact CG2-CB 4.25Å; I436-C440 WeakPolarHBondContact O-CA 3.46Å; I436-C440 VanDerWaalsContact O-CB 3.29Å; I436-C440 WeakPolarHBondContact O-CB 3.32Å; I436-C440 PolarHBondContact O-N 3.25Å; I436-V459 HydrophobicContact CD1-CG1 4.15Å; I436-V459 HydrophobicContact CG1-CG2 4.43Å; I436-V459 HydrophobicContact CG2-CG2 4.29Å; I436-F462 HydrophobicContact CD1-CD2 3.88Å; I436-F462 HydrophobicContact CD1-CE2 4.25Å; I436-F462 HydrophobicContact CG1-CD2 3.79Å; I436-F462 HydrophobicContact CG1-CE2 3.65Å; I436-Y465 HydrophobicContact CD1-CD2 3.69Å; I436-Y465 HydrophobicContact CD1-CE2 3.31Å |
| 437 | L | 92.3 | Very high | 90.1 | Very high | 34 Ų | 34 | 57.9 Ų | 57.9 | 18% | 0.178 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.6 | -40.8 | 179.6 | 171.1 | 65 | 0 | 0 | 0 | 112.5 | Q423 V426 G433 I434 T439 D441 | Q423-L437 HydrophobicContact CB-CD1 3.42Å; Q423-L437 VanDerWaalsContact CB-CD1 3.42Å; Q423-L437 HydrophobicContact CB-CD2 4.27Å; Q423-L437 HydrophobicContact CB-CG 4.47Å; Q423-L437 HydrophobicContact CG-CD1 3.58Å; Q423-L437 HydrophobicContact CG-CD2 3.71Å; Q423-L437 HydrophobicContact CG-CG 4.28Å; V426-L437 HydrophobicContact CG2-CB 4.08Å; V426-L437 HydrophobicContact CG2-CD2 4.12Å; G433-L437 WeakPolarHBondContact O-CB 3.24Å; G433-L437 PolarHBondContact O-N 3.37Å; I434-L437 PolarHBondContact O-N 2.87Å; L437-T439 PolarHBondContact O-N 2.99Å; L437-D441 PolarHBondContact O-N 3.12Å |
| 438 | T | 92.1 | Very high | 91 | Very high | 101 Ų | 101 | 58 Ų | 58 | 62% | 0.62 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -65.3 | -29 | -177.9 | -54.9 | 0 | 0 | 0 | 0 | 111.7 | I434 I436 | I434-T438 WeakPolarHBondContact O-CB 3.26Å; I434-T438 PolarHBondContact O-N 3.15Å; I434-T438 PolarHBondContact O-OG1 2.81Å; I436-T438 VanDerWaalsContact C-N 3.28Å; I436-T438 PolarHBondContact O-N 2.95Å |
| 439 | T | 92.5 | Very high | 92.3 | Very high | 47 Ų | 47 | 59.7 Ų | 59.7 | 29% | 0.288 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -100.4 | -35.8 | -177.3 | -48.3 | 0 | 0 | 0 | 0 | 112.7 | E435 I436 L437 L455 F458 | E435-T439 PolarHBondContact O-N 2.61Å; E435-T439 PolarHBondContact O-OG1 3.35Å; E435-T439 VanDerWaalsContact O-OG1 3.12Å; I436-T439 PolarHBondContact O-N 3.16Å; L437-T439 PolarHBondContact O-N 2.99Å; T439-L455 HydrophobicContact CG2-CD2 4.06Å; T439-F458 VanDerWaalsContact CB-CE1 3.46Å; T439-F458 HydrophobicContact CG2-CD1 3.71Å; T439-F458 HydrophobicContact CG2-CD2 4.23Å; T439-F458 HydrophobicContact CG2-CE1 3.88Å; T439-F458 HydrophobicContact CG2-CE2 4.37Å; T439-F458 HydrophobicContact CG2-CG 3.91Å; T439-F458 HydrophobicContact CG2-CZ 4.2Å; T439-F458 WeakPolarHBondContact OG1-CE1 3.39Å; T439-F458 WeakPolarHBondContact OG1-CZ 3.03Å |
| 440 | C | 93 | Very high | 93.2 | Very high | 5 Ų | 5 | 54.4 Ų | 54.4 | 3% | 0.034 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -103.7 | 47.9 | -178.2 | -61.5 | 0 | 0 | 0 | 0 | 111.2 | S419 I436 V445 | S419-C440 PolarHBondContact OG-O 3.43Å; I436-C440 HydrophobicContact CG2-CB 4.25Å; I436-C440 WeakPolarHBondContact O-CA 3.46Å; I436-C440 VanDerWaalsContact O-CB 3.29Å; I436-C440 WeakPolarHBondContact O-CB 3.32Å; I436-C440 PolarHBondContact O-N 3.25Å; C440-V445 HydrophobicContact CB-CG1 4.27Å |
| 441 | D | 91.4 | Very high | 93.6 | Very high | 53 Ų | 53 | 54.1 Ų | 54.1 | 28% | 0.283 | 28% | 0.282 | S | S | . | . | trans | -74.3 | 173.2 | -178.4 | 78.5 | 8.9 | 0 | 0 | 0 | 113.2 | L437 F443 T444 V445 | L437-D441 PolarHBondContact O-N 3.12Å; D441-F443 PolarHBondContact O-N 2.82Å; D441-F443 VanDerWaalsContact O-N 3.16Å; D441-F443 PolarHBondContact OD1-N 2.93Å; D441-T444 PolarHBondContact O-N 2.63Å; D441-T444 VanDerWaalsContact OD1-CB 3.23Å; D441-T444 WeakPolarHBondContact OD1-CB 3.25Å; D441-T444 PolarHBondContact OD1-N 3.06Å; D441-T444 PolarHBondContact OD1-OG1 2.92Å; D441-V445 WeakPolarHBondContact O-CG1 3.29Å; D441-V445 WeakPolarHBondContact O-CG2 3.2Å; D441-V445 PolarHBondContact O-N 3.32Å; D441-V445 VanDerWaalsContact O-N 3.1Å | ||
| 442 | Y | 89.1 | Confident | 94 | Very high | 102 Ų | 102 | 52.7 Ų | 52.7 | 40% | 0.4 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -33.4 | -178.5 | 177.5 | -89.7 | 0 | 0 | 0 | 114.5 | R416 S419 | R416-Y442 HydrophobicContact CB-CD2 3.74Å; R416-Y442 HydrophobicContact CB-CE2 3.53Å; R416-Y442 HydrophobicContact CG-CD2 3.81Å; R416-Y442 HydrophobicContact CG-CE2 3.71Å; R416-Y442 HydrophobicContact CG-CG 4.28Å; R416-Y442 WeakPolarHBondContact CG-O 3.34Å; R416-Y442 PolarHBondContact NE-O 3.34Å; S419-Y442 PolarHBondContact OG-N 3.33Å |
| 443 | F | 91.3 | Very high | 94.2 | Very high | 154 Ų | 154 | 51.1 Ų | 51.1 | 68% | 0.675 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -45.1 | -178 | -66.9 | -77 | 0 | 0 | 0 | 111 | D441 V445 G446 | D441-F443 PolarHBondContact O-N 2.82Å; D441-F443 VanDerWaalsContact O-N 3.16Å; D441-F443 PolarHBondContact OD1-N 2.93Å; F443-V445 PolarHBondContact O-N 2.78Å; F443-G446 WeakPolarHBondContact O-CA 3.47Å; F443-G446 PolarHBondContact O-N 2.95Å |
| 444 | T | 91.4 | Very high | 94.5 | Very high | 46 Ų | 46 | 56.5 Ų | 56.5 | 28% | 0.282 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -67.5 | -36.8 | -173.8 | -50.5 | 0 | 0 | 0 | 0 | 111.5 | D441 G446 H450 L455 | D441-T444 PolarHBondContact O-N 2.63Å; D441-T444 VanDerWaalsContact OD1-CB 3.23Å; D441-T444 WeakPolarHBondContact OD1-CB 3.25Å; D441-T444 PolarHBondContact OD1-N 3.06Å; D441-T444 PolarHBondContact OD1-OG1 2.92Å; T444-G446 PolarHBondContact O-N 3.04Å; T444-H450 VanDerWaalsContact CG2-NE2 3.28Å; T444-H450 WeakPolarHBondContact CG2-NE2 3.35Å; T444-L455 HydrophobicContact CG2-CD1 4.04Å; T444-L455 HydrophobicContact CG2-CD2 3.9Å; T444-L455 HydrophobicContact CG2-CG 4.44Å |
| 445 | V | 95.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -68.8 | -1.4 | 173 | -57 | 0 | 0 | 0 | 0 | 113.9 | R415 R416 C440 D441 F443 C451 L455 | R415-V445 HydrophobicContact CB-CB 4.43Å; R415-V445 HydrophobicContact CB-CG2 4.33Å; R415-V445 PolarHBondContact NE-O 3.35Å; R416-V445 HydrophobicContact CG-CG2 4.08Å; C440-V445 HydrophobicContact CB-CG1 4.27Å; D441-V445 WeakPolarHBondContact O-CG1 3.29Å; D441-V445 WeakPolarHBondContact O-CG2 3.2Å; D441-V445 PolarHBondContact O-N 3.32Å; D441-V445 VanDerWaalsContact O-N 3.1Å; F443-V445 PolarHBondContact O-N 2.78Å; V445-C451 VanDerWaalsContact CA-SG 3.54Å; V445-C451 PolarHBondContact O-SG 3.07Å; V445-C451 VanDerWaalsContact O-SG 3.4Å; V445-L455 HydrophobicContact CG1-CD1 4.16Å |
| 446 | G | 93.2 | Very high | 94.9 | Very high | 21 Ų | 21 | 46.7 Ų | 46.7 | 22% | 0.216 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -62.1 | -40 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | R415 F443 T444 | R415-G446 PolarHBondContact NH2-O 2.85Å; F443-G446 WeakPolarHBondContact O-CA 3.47Å; F443-G446 PolarHBondContact O-N 2.95Å; T444-G446 PolarHBondContact O-N 3.04Å |
| 447 | N | 95.1 | Very high | 95 | Very high | 95 Ų | 95 | 48.5 Ų | 48.5 | 51% | 0.508 | 25% | 0.252 | S | S | . | . | trans | -90.1 | 113.6 | -177.8 | -177.5 | -36.7 | 0 | 0 | 0 | 111.4 | A449 H450 C451 | N447-A449 PolarHBondContact OD1-N 3.04Å; N447-H450 HydrophobicContact CB-CB 3.73Å; N447-H450 WeakPolarHBondContact O-CB 3.36Å; N447-H450 PolarHBondContact O-N 3.3Å; N447-H450 PolarHBondContact OD1-N 3.33Å; N447-C451 PolarHBondContact O-N 3.41Å; N447-C451 PolarHBondContact O-SG 3.4Å | ||
| 448 | R | 96.5 | Very high | 95.3 | Very high | 71 Ų | 71 | 49.2 Ų | 49.2 | 27% | 0.268 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.7 | -46.1 | -176.9 | -176 | 173.5 | 61.4 | 176.2 | 5.4 | 113.3 | H450 C451 Y452 D482 S484 L488 | R448-H450 VanDerWaalsContact C-N 3.31Å; R448-H450 PolarHBondContact O-N 2.55Å; R448-C451 WeakPolarHBondContact O-CB 3.32Å; R448-C451 PolarHBondContact O-N 3.46Å; R448-Y452 HydrophobicContact CG-CD2 4.18Å; R448-Y452 HydrophobicContact CG-CE2 4.1Å; R448-Y452 VanDerWaalsContact O-CD2 3.3Å; R448-Y452 WeakPolarHBondContact O-CD2 3.46Å; R448-Y452 PolarHBondContact O-N 3.1Å; R448-Y452 VanDerWaalsContact O-N 3.16Å; R448-D482 IonicContact NH1-OD2 3.77Å; R448-D482 PolarHBondContact NH1-OD2 3.42Å; R448-S484 PolarHBondContact NH1-OG 2.68Å; R448-S484 PolarHBondContact NH2-OG 2.86Å; R448-L488 HydrophobicContact CG-CD1 3.92Å |
| 449 | A | 97.6 | Very high | 95.6 | Very high | 41 Ų | 41 | 44.4 Ų | 44.4 | 34% | 0.339 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.3 | -39.4 | 180 | 0 | 0 | 0 | 0 | 0 | 111.1 | N447 C451 Y452 L453 L488 | N447-A449 PolarHBondContact OD1-N 3.04Å; A449-C451 PolarHBondContact O-N 2.8Å; A449-Y452 PolarHBondContact O-N 3.44Å; A449-L453 VanDerWaalsContact O-CB 3.29Å; A449-L453 WeakPolarHBondContact O-CB 3.5Å; A449-L453 WeakPolarHBondContact O-CG 3.49Å; A449-L453 PolarHBondContact O-N 2.84Å; A449-L488 HydrophobicContact CB-CD2 4.1Å |
| 450 | H | 97.7 | Very high | 95.8 | Very high | 49 Ų | 49 | 42.6 Ų | 42.6 | 23% | 0.227 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.4 | -42.3 | 174.1 | -176.9 | 69.5 | 0 | 0 | 0 | 112.2 | T444 N447 R448 Y452 Q454 L455 | T444-H450 VanDerWaalsContact CG2-NE2 3.28Å; T444-H450 WeakPolarHBondContact CG2-NE2 3.35Å; N447-H450 HydrophobicContact CB-CB 3.73Å; N447-H450 WeakPolarHBondContact O-CB 3.36Å; N447-H450 PolarHBondContact O-N 3.3Å; N447-H450 PolarHBondContact OD1-N 3.33Å; R448-H450 VanDerWaalsContact C-N 3.31Å; R448-H450 PolarHBondContact O-N 2.55Å; H450-Y452 PolarHBondContact O-N 2.74Å; H450-Q454 PolarHBondContact CE1-OE1 3.02Å; H450-Q454 PolarHBondContact ND1-OE1 3.44Å; H450-Q454 WeakPolarHBondContact O-CB 3.28Å; H450-Q454 PolarHBondContact O-N 2.95Å; H450-L455 WeakPolarHBondContact NE2-CD2 3.41Å; H450-L455 PolarHBondContact O-N 3.4Å |
| 451 | C | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | I | π-helix | trans | -58.3 | -47.7 | 175.6 | -63.6 | 0 | 0 | 0 | 0 | 112.1 | L407 V445 N447 R448 A449 S456 | L407-C451 WeakPolarHBondContact O-CB 3.46Å; V445-C451 VanDerWaalsContact CA-SG 3.54Å; V445-C451 PolarHBondContact O-SG 3.07Å; V445-C451 VanDerWaalsContact O-SG 3.4Å; N447-C451 PolarHBondContact O-N 3.41Å; N447-C451 PolarHBondContact O-SG 3.4Å; R448-C451 WeakPolarHBondContact O-CB 3.32Å; R448-C451 PolarHBondContact O-N 3.46Å; A449-C451 PolarHBondContact O-N 2.8Å; C451-S456 WeakPolarHBondContact O-CB 3.24Å; C451-S456 PolarHBondContact O-N 3.23Å |
| 452 | Y | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | I | π-helix | trans | -73.2 | -36.7 | -177.8 | -86.1 | -104.7 | 0 | 0 | 0 | 113.8 | F408 R448 A449 H450 S456 L473 I485 L488 A489 A492 | F408-Y452 HydrophobicContact CB-CE1 4.46Å; F408-Y452 HydrophobicContact CB-CE2 4.3Å; F408-Y452 AromaticContact CD1-CD1 3.73Å; F408-Y452 HydrophobicContact CD1-CD1 3.73Å; F408-Y452 HydrophobicContact CD1-CD2 4.01Å; F408-Y452 AromaticContact CD1-CE1 3.58Å; F408-Y452 HydrophobicContact CD1-CE1 3.58Å; F408-Y452 AromaticContact CD1-CE2 3.89Å; F408-Y452 HydrophobicContact CD1-CE2 3.89Å; F408-Y452 AromaticContact CD1-CG 3.96Å; F408-Y452 HydrophobicContact CD1-CG 3.96Å; F408-Y452 AromaticContact CD1-CZ 3.67Å; F408-Y452 HydrophobicContact CE1-CD1 4Å; F408-Y452 HydrophobicContact CE1-CE1 4.24Å; F408-Y452 HydrophobicContact CE1-CG 4.24Å; F408-Y452 HydrophobicContact CG-CE1 4.38Å; F408-Y452 PolarHBondContact O-OH 3.37Å; R448-Y452 HydrophobicContact CG-CD2 4.18Å; R448-Y452 HydrophobicContact CG-CE2 4.1Å; R448-Y452 VanDerWaalsContact O-CD2 3.3Å; R448-Y452 WeakPolarHBondContact O-CD2 3.46Å; R448-Y452 PolarHBondContact O-N 3.1Å; R448-Y452 VanDerWaalsContact O-N 3.16Å; A449-Y452 PolarHBondContact O-N 3.44Å; H450-Y452 PolarHBondContact O-N 2.74Å; Y452-S456 PolarHBondContact O-OG 3.22Å; Y452-L473 HydrophobicContact CD1-CD2 4.26Å; Y452-L473 HydrophobicContact CE1-CD2 3.87Å; Y452-I485 HydrophobicContact CE2-CD1 4.35Å; Y452-L488 HydrophobicContact CD1-CB 3.68Å; Y452-L488 WeakPolarHBondContact CD1-O 3.16Å; Y452-L488 HydrophobicContact CD2-CB 4.37Å; Y452-L488 HydrophobicContact CD2-CD1 4.38Å; Y452-L488 HydrophobicContact CE1-CB 4.13Å; Y452-L488 HydrophobicContact CG-CB 3.8Å; Y452-L488 HydrophobicContact CG-CD1 4.5Å; Y452-A489 HydrophobicContact CE1-CB 4.1Å; Y452-A492 HydrophobicContact CD1-CB 4.07Å; Y452-A492 WeakPolarHBondContact O-CB 3.42Å |
| 453 | L | 98.3 | Very high | 96.4 | Very high | 38 Ų | 38 | 52.3 Ų | 52.3 | 20% | 0.199 | 26% | 0.255 | C | S | . | . | I | π-helix | trans | -110.2 | -5.3 | -165.1 | -56.3 | -179.1 | 0 | 0 | 0 | 114.7 | A449 I457 L488 C491 K495 | A449-L453 VanDerWaalsContact O-CB 3.29Å; A449-L453 WeakPolarHBondContact O-CB 3.5Å; A449-L453 WeakPolarHBondContact O-CG 3.49Å; A449-L453 PolarHBondContact O-N 2.84Å; L453-I457 WeakPolarHBondContact O-CD1 3.31Å; L453-L488 HydrophobicContact CD1-CD2 4Å; L453-L488 HydrophobicContact CG-CD2 4.2Å; L453-C491 HydrophobicContact CD2-CB 3.56Å; L453-K495 PolarHBondContact O-NZ 3.25Å; L453-K495 VanDerWaalsContact O-NZ 3.15Å |
| 454 | Q | 97.8 | Very high | 96.5 | Very high | 115 Ų | 115 | 48.9 Ų | 48.9 | 54% | 0.537 | 24% | 0.242 | S | C | . | . | I | π-helix | trans | -136.4 | -56.4 | 179.5 | -66.7 | -175.2 | -16.8 | 0 | 0 | 111.7 | H450 S456 I457 F458 | H450-Q454 PolarHBondContact CE1-OE1 3.02Å; H450-Q454 PolarHBondContact ND1-OE1 3.44Å; H450-Q454 WeakPolarHBondContact O-CB 3.28Å; H450-Q454 PolarHBondContact O-N 2.95Å; Q454-S456 PolarHBondContact O-N 2.81Å; Q454-I457 PolarHBondContact O-N 2.97Å; Q454-F458 PolarHBondContact O-N 3.38Å |
| 455 | L | 97.9 | Very high | 96.8 | Very high | 5 Ų | 5 | 46.9 Ų | 46.9 | 3% | 0.026 | 23% | 0.229 | C | C | . | . | I | π-helix | trans | -65.1 | -39.1 | -179 | -60.7 | -176.8 | 0 | 0 | 0 | 112.4 | L407 T439 T444 V445 H450 I457 F458 V459 | L407-L455 HydrophobicContact CD2-CB 3.63Å; L407-L455 HydrophobicContact CD2-CD1 4.27Å; T439-L455 HydrophobicContact CG2-CD2 4.06Å; T444-L455 HydrophobicContact CG2-CD1 4.04Å; T444-L455 HydrophobicContact CG2-CD2 3.9Å; T444-L455 HydrophobicContact CG2-CG 4.44Å; V445-L455 HydrophobicContact CG1-CD1 4.16Å; H450-L455 WeakPolarHBondContact NE2-CD2 3.41Å; H450-L455 PolarHBondContact O-N 3.4Å; L455-I457 VanDerWaalsContact C-N 3.25Å; L455-I457 PolarHBondContact O-N 3.4Å; L455-F458 WeakPolarHBondContact O-CB 3.45Å; L455-F458 PolarHBondContact O-N 3.44Å; L455-V459 WeakPolarHBondContact O-CG2 3.3Å; L455-V459 PolarHBondContact O-N 3.24Å |
| 456 | S | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.7 | -39.6 | 176.5 | 67.8 | 0 | 0 | 0 | 0 | 112.4 | C451 Y452 Q454 V459 A460 M469 | C451-S456 WeakPolarHBondContact O-CB 3.24Å; C451-S456 PolarHBondContact O-N 3.23Å; Y452-S456 PolarHBondContact O-OG 3.22Å; Q454-S456 PolarHBondContact O-N 2.81Å; S456-V459 PolarHBondContact O-N 3.27Å; S456-A460 VanDerWaalsContact O-CB 3.27Å; S456-A460 WeakPolarHBondContact O-CB 3.39Å; S456-A460 PolarHBondContact O-N 3.02Å; S456-M469 VanDerWaalsContact O-CE 3.26Å; S456-M469 WeakPolarHBondContact O-CE 3.32Å |
| 457 | I | 98 | Very high | 97 | Very high | 42 Ų | 42 | 50.8 Ų | 50.8 | 22% | 0.215 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.5 | -39.4 | -180 | -53.7 | 168.6 | 0 | 0 | 0 | 110 | L453 Q454 L455 K495 I498 | L453-I457 WeakPolarHBondContact O-CD1 3.31Å; Q454-I457 PolarHBondContact O-N 2.97Å; L455-I457 VanDerWaalsContact C-N 3.25Å; L455-I457 PolarHBondContact O-N 3.4Å; I457-K495 HydrophobicContact CD1-CB 3.77Å; I457-K495 HydrophobicContact CD1-CD 3.51Å; I457-K495 HydrophobicContact CD1-CG 4.28Å; I457-K495 HydrophobicContact CG1-CB 4.14Å; I457-I498 HydrophobicContact CG2-CD1 4.43Å |
| 458 | F | 97.8 | Very high | 97.1 | Very high | 48 Ų | 48 | 48.3 Ų | 48.3 | 21% | 0.211 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.3 | -50.1 | 173.3 | 170.9 | -95.3 | 0 | 0 | 0 | 111.2 | T439 Q454 L455 A460 K461 F462 | T439-F458 VanDerWaalsContact CB-CE1 3.46Å; T439-F458 HydrophobicContact CG2-CD1 3.71Å; T439-F458 HydrophobicContact CG2-CD2 4.23Å; T439-F458 HydrophobicContact CG2-CE1 3.88Å; T439-F458 HydrophobicContact CG2-CE2 4.37Å; T439-F458 HydrophobicContact CG2-CG 3.91Å; T439-F458 HydrophobicContact CG2-CZ 4.2Å; T439-F458 WeakPolarHBondContact OG1-CE1 3.39Å; T439-F458 WeakPolarHBondContact OG1-CZ 3.03Å; Q454-F458 PolarHBondContact O-N 3.38Å; L455-F458 WeakPolarHBondContact O-CB 3.45Å; L455-F458 PolarHBondContact O-N 3.44Å; F458-A460 VanDerWaalsContact C-N 3.32Å; F458-A460 PolarHBondContact O-N 2.92Å; F458-K461 WeakPolarHBondContact O-CB 3.45Å; F458-K461 WeakPolarHBondContact O-CG 3.49Å; F458-K461 PolarHBondContact O-N 3.15Å; F458-F462 AromaticContact CE1-CE2 3.98Å; F458-F462 HydrophobicContact CE1-CE2 3.98Å; F458-F462 HydrophobicContact CZ-CE2 4.13Å; F458-F462 HydrophobicContact CZ-CZ 4.35Å |
| 459 | V | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.4 | -33.2 | -178.3 | 178.6 | 0 | 0 | 0 | 0 | 111.9 | V403 L407 I436 L455 S456 K461 F462 Y465 M469 | V403-V459 HydrophobicContact CG1-CG1 3.78Å; L407-V459 HydrophobicContact CD1-CB 4.28Å; L407-V459 HydrophobicContact CD1-CG2 4.18Å; I436-V459 HydrophobicContact CD1-CG1 4.15Å; I436-V459 HydrophobicContact CG1-CG2 4.43Å; I436-V459 HydrophobicContact CG2-CG2 4.29Å; L455-V459 WeakPolarHBondContact O-CG2 3.3Å; L455-V459 PolarHBondContact O-N 3.24Å; S456-V459 PolarHBondContact O-N 3.27Å; V459-K461 PolarHBondContact O-N 2.69Å; V459-K461 VanDerWaalsContact O-N 3.11Å; V459-F462 WeakPolarHBondContact O-CB 3.21Å; V459-F462 WeakPolarHBondContact O-CD2 3.41Å; V459-F462 PolarHBondContact O-N 2.68Å; V459-Y465 HydrophobicContact CG1-CD2 4.21Å; V459-Y465 HydrophobicContact CG1-CG 4.09Å; V459-M469 HydrophobicContact CB-CE 4.43Å; V459-M469 HydrophobicContact CB-SD 4.14Å; V459-M469 HydrophobicContact CG1-SD 3.77Å |
| 460 | A | 97 | Very high | 97.2 | Very high | 9 Ų | 9 | 43 Ų | 43 | 7% | 0.074 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -11.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S456 F458 F462 A466 L496 A499 | S456-A460 VanDerWaalsContact O-CB 3.27Å; S456-A460 WeakPolarHBondContact O-CB 3.39Å; S456-A460 PolarHBondContact O-N 3.02Å; F458-A460 VanDerWaalsContact C-N 3.32Å; F458-A460 PolarHBondContact O-N 2.92Å; A460-F462 PolarHBondContact O-N 3.11Å; A460-A466 HydrophobicContact CB-CB 4.35Å; A460-L496 HydrophobicContact CB-CD2 3.33Å; A460-A499 HydrophobicContact CB-CB 3.98Å |
| 461 | K | 96.6 | Very high | 97.3 | Very high | 153 Ų | 153 | 42.8 Ų | 42.8 | 67% | 0.665 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -22.6 | 168.8 | -63.4 | 178.3 | -179.1 | -178.6 | 0 | 112.3 | F458 V459 | F458-K461 WeakPolarHBondContact O-CB 3.45Å; F458-K461 WeakPolarHBondContact O-CG 3.49Å; F458-K461 PolarHBondContact O-N 3.15Å; V459-K461 PolarHBondContact O-N 2.69Å; V459-K461 VanDerWaalsContact O-N 3.11Å |
| 462 | F | 96.5 | Very high | 97.3 | Very high | 28 Ų | 28 | 43.4 Ų | 43.4 | 12% | 0.123 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -94.3 | 110.7 | 176.1 | -53.2 | -64.4 | 0 | 0 | 0 | 109.2 | H432 E435 I436 F458 V459 A460 E464 Y465 A466 | H432-F462 HydrophobicContact CB-CB 4.49Å; H432-F462 HydrophobicContact CB-CD1 3.47Å; H432-F462 VanDerWaalsContact CB-CD1 3.47Å; H432-F462 HydrophobicContact CB-CD2 4.17Å; H432-F462 HydrophobicContact CB-CE1 3.57Å; H432-F462 HydrophobicContact CB-CE2 4.28Å; H432-F462 HydrophobicContact CB-CG 3.78Å; H432-F462 HydrophobicContact CB-CZ 3.98Å; H432-F462 AromaticContact CD2-CD1 3.35Å; H432-F462 WeakPolarHBondContact CD2-CD1 3.46Å; H432-F462 AromaticContact CD2-CE1 3.52Å; H432-F462 AromaticContact CE1-CD1 3.93Å; H432-F462 AromaticContact CG-CD1 3.15Å; H432-F462 AromaticContact CG-CE1 3.57Å; H432-F462 AromaticContact CG-CG 3.76Å; H432-F462 AromaticContact ND1-CD1 3.55Å; H432-F462 AromaticContact ND1-CG 3.91Å; H432-F462 AromaticContact NE2-CD1 3.84Å; E435-F462 HydrophobicContact CB-CZ 3.82Å; I436-F462 HydrophobicContact CD1-CD2 3.88Å; I436-F462 HydrophobicContact CD1-CE2 4.25Å; I436-F462 HydrophobicContact CG1-CD2 3.79Å; I436-F462 HydrophobicContact CG1-CE2 3.65Å; F458-F462 AromaticContact CE1-CE2 3.98Å; F458-F462 HydrophobicContact CE1-CE2 3.98Å; F458-F462 HydrophobicContact CZ-CE2 4.13Å; F458-F462 HydrophobicContact CZ-CZ 4.35Å; V459-F462 WeakPolarHBondContact O-CB 3.21Å; V459-F462 WeakPolarHBondContact O-CD2 3.41Å; V459-F462 PolarHBondContact O-N 2.68Å; A460-F462 PolarHBondContact O-N 3.11Å; F462-E464 PolarHBondContact O-N 3.05Å; F462-E464 VanDerWaalsContact O-N 3.09Å; F462-Y465 HydrophobicContact CB-CD2 3.83Å; F462-Y465 HydrophobicContact CB-CE2 4.45Å; F462-Y465 PolarHBondContact O-N 3.4Å; F462-A466 PolarHBondContact O-N 3.21Å |
| 463 | K | 93 | Very high | 97.3 | Very high | 183 Ų | 183 | 43.4 Ų | 43.4 | 80% | 0.796 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -59.3 | -27.7 | -168.5 | -67.3 | -173.4 | 177.3 | -174.5 | 0 | 113.4 | Y465 | K463-Y465 PolarHBondContact O-N 3.01Å |
| 464 | E | 93.6 | Very high | 97.3 | Very high | 83 Ų | 83 | 41.9 Ų | 41.9 | 39% | 0.388 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -65.9 | -23.5 | 179.4 | -52.5 | 78.7 | -170.8 | 0 | 0 | 112.6 | P431 H432 F462 P468 | P431-E464 HydrophobicContact CB-CG 4.39Å; H432-E464 IonicContact CE1-OE1 3.38Å; H432-E464 PolarHBondContact CE1-OE1 2.95Å; H432-E464 IonicContact CE1-OE2 3.4Å; H432-E464 PolarHBondContact CE1-OE2 2.91Å; H432-E464 VanDerWaalsContact CE1-OE2 3.28Å; H432-E464 IonicContact ND1-OE2 3.72Å; H432-E464 PolarHBondContact ND1-OE2 3.39Å; F462-E464 PolarHBondContact O-N 3.05Å; F462-E464 VanDerWaalsContact O-N 3.09Å; E464-P468 WeakPolarHBondContact O-CG 3.44Å |
| 465 | Y | 97.3 | Very high | 97.2 | Very high | 3 Ų | 3 | 40.9 Ų | 40.9 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -105.4 | -26.6 | -178.6 | -59.5 | -69 | 0 | 0 | 0 | 113.4 | A399 V403 P431 I436 V459 F462 K463 K467 P468 M469 | A399-Y465 HydrophobicContact CB-CE1 4.21Å; V403-Y465 HydrophobicContact CB-CD1 4.16Å; V403-Y465 HydrophobicContact CB-CE1 4.4Å; V403-Y465 HydrophobicContact CG1-CD1 4.26Å; V403-Y465 HydrophobicContact CG2-CD1 3.93Å; V403-Y465 HydrophobicContact CG2-CE1 3.79Å; P431-Y465 HydrophobicContact CB-CE2 4.25Å; P431-Y465 WeakPolarHBondContact CD-OH 3.27Å; P431-Y465 WeakPolarHBondContact O-CE2 3.5Å; P431-Y465 PolarHBondContact O-OH 2.96Å; I436-Y465 HydrophobicContact CD1-CD2 3.69Å; I436-Y465 HydrophobicContact CD1-CE2 3.31Å; V459-Y465 HydrophobicContact CG1-CD2 4.21Å; V459-Y465 HydrophobicContact CG1-CG 4.09Å; F462-Y465 HydrophobicContact CB-CD2 3.83Å; F462-Y465 HydrophobicContact CB-CE2 4.45Å; F462-Y465 PolarHBondContact O-N 3.4Å; K463-Y465 PolarHBondContact O-N 3.01Å; Y465-K467 PolarHBondContact O-N 3.19Å; Y465-P468 WeakPolarHBondContact O-CD 3.35Å; Y465-M469 WeakPolarHBondContact O-CB 3.27Å; Y465-M469 WeakPolarHBondContact O-CG 3.4Å; Y465-M469 PolarHBondContact O-N 3.5Å |
| 466 | A | 96.5 | Very high | 97.1 | Very high | 7 Ų | 7 | 43.9 Ų | 43.9 | 6% | 0.058 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -54 | -56.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | A460 F462 M469 I470 A499 | A460-A466 HydrophobicContact CB-CB 4.35Å; F462-A466 PolarHBondContact O-N 3.21Å; A466-M469 WeakPolarHBondContact O-CB 3.33Å; A466-M469 PolarHBondContact O-N 3.41Å; A466-I470 WeakPolarHBondContact O-CG1 3.48Å; A466-I470 PolarHBondContact O-N 2.89Å; A466-A499 HydrophobicContact CB-CB 4.28Å |
| 467 | K | 96.9 | Very high | 97.1 | Very high | 96 Ų | 96 | 44.3 Ų | 44.3 | 42% | 0.417 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.4 | -47.3 | -179.1 | -178.4 | 171.8 | -176.3 | 168.8 | 0 | 113.2 | Y465 M469 I470 D471 Y503 | Y465-K467 PolarHBondContact O-N 3.19Å; K467-M469 PolarHBondContact O-N 3.31Å; K467-I470 PolarHBondContact O-N 2.98Å; K467-I470 VanDerWaalsContact O-N 3.17Å; K467-D471 WeakPolarHBondContact O-CB 3.34Å; K467-D471 PolarHBondContact O-N 2.93Å; K467-Y503 HydrophobicContact CG-CE1 4.14Å |
| 468 | P | 97.6 | Very high | 97.1 | Very high | 43 Ų | 43 | 42.3 Ų | 42.3 | 28% | 0.279 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -54.2 | -36.7 | 172.3 | -29.2 | 35.5 | 0 | 0 | 0 | 114.2 | E464 Y465 H472 | E464-P468 WeakPolarHBondContact O-CG 3.44Å; Y465-P468 WeakPolarHBondContact O-CD 3.35Å; P468-H472 VanDerWaalsContact O-CB 3.23Å; P468-H472 WeakPolarHBondContact O-CB 3.41Å; P468-H472 PolarHBondContact O-N 3.49Å |
| 469 | M | 98.3 | Very high | 97 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.4 | -48 | 175.9 | -70.6 | 170.5 | 59.6 | 0 | 0 | 112.1 | V403 L404 L407 F408 S456 V459 Y465 A466 K467 H472 L473 | V403-M469 HydrophobicContact CG1-SD 4.19Å; L404-M469 HydrophobicContact CD2-CB 4.16Å; L404-M469 HydrophobicContact CD2-CG 3.64Å; L407-M469 HydrophobicContact CD1-CE 3.64Å; L407-M469 HydrophobicContact CD1-SD 4.15Å; F408-M469 HydrophobicContact CE2-CB 3.99Å; F408-M469 HydrophobicContact CE2-CE 4Å; F408-M469 HydrophobicContact CE2-CG 3.93Å; F408-M469 HydrophobicContact CZ-CB 4.38Å; F408-M469 HydrophobicContact CZ-CE 3.67Å; F408-M469 HydrophobicContact CZ-CG 4.48Å; S456-M469 VanDerWaalsContact O-CE 3.26Å; S456-M469 WeakPolarHBondContact O-CE 3.32Å; V459-M469 HydrophobicContact CB-CE 4.43Å; V459-M469 HydrophobicContact CB-SD 4.14Å; V459-M469 HydrophobicContact CG1-SD 3.77Å; Y465-M469 WeakPolarHBondContact O-CB 3.27Å; Y465-M469 WeakPolarHBondContact O-CG 3.4Å; Y465-M469 PolarHBondContact O-N 3.5Å; A466-M469 WeakPolarHBondContact O-CB 3.33Å; A466-M469 PolarHBondContact O-N 3.41Å; K467-M469 PolarHBondContact O-N 3.31Å; M469-H472 PolarHBondContact O-N 3.31Å; M469-L473 WeakPolarHBondContact O-CG 3.21Å; M469-L473 PolarHBondContact O-N 2.95Å |
| 470 | I | 98.5 | Very high | 96.8 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.5 | -50.8 | 175.8 | -68.6 | 164.6 | 0 | 0 | 0 | 110.2 | A466 K467 H472 L473 V474 L493 L496 D500 Y503 M504 V508 | A466-I470 WeakPolarHBondContact O-CG1 3.48Å; A466-I470 PolarHBondContact O-N 2.89Å; K467-I470 PolarHBondContact O-N 2.98Å; K467-I470 VanDerWaalsContact O-N 3.17Å; I470-H472 VanDerWaalsContact C-N 3.31Å; I470-H472 PolarHBondContact O-N 3.5Å; I470-L473 PolarHBondContact O-N 3.26Å; I470-L473 VanDerWaalsContact O-N 3.16Å; I470-V474 HydrophobicContact CG2-CG2 4.42Å; I470-V474 WeakPolarHBondContact O-CG2 3.32Å; I470-V474 PolarHBondContact O-N 2.8Å; I470-L493 HydrophobicContact CG2-CD1 4.15Å; I470-L496 HydrophobicContact CG1-CB 4.45Å; I470-D500 HydrophobicContact CD1-CB 4.33Å; I470-Y503 HydrophobicContact CG2-CD1 4.17Å; I470-Y503 HydrophobicContact CG2-CE1 3.86Å; I470-M504 HydrophobicContact CB-SD 4.46Å; I470-M504 HydrophobicContact CD1-CG 4.27Å; I470-M504 HydrophobicContact CD1-SD 3.89Å; I470-M504 HydrophobicContact CG1-SD 4.08Å; I470-M504 HydrophobicContact CG2-SD 3.51Å; I470-M504 VanDerWaalsContact CG2-SD 3.51Å; I470-V508 HydrophobicContact CG2-CG2 3.8Å |
| 471 | D | 98.4 | Very high | 96.5 | Very high | 43 Ų | 43 | 44.1 Ų | 44.1 | 23% | 0.23 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.8 | -38.4 | -179.3 | -70.9 | -18 | 0 | 0 | 0 | 112.2 | K467 N475 Y503 | K467-D471 WeakPolarHBondContact O-CB 3.34Å; K467-D471 PolarHBondContact O-N 2.93Å; D471-N475 WeakPolarHBondContact O-CB 3.33Å; D471-N475 PolarHBondContact O-N 2.93Å; D471-N475 PolarHBondContact O-ND2 2.96Å; D471-Y503 WeakPolarHBondContact OD1-CE1 3.48Å; D471-Y503 PolarHBondContact OD1-OH 3.29Å |
| 472 | H | 98.3 | Very high | 96.3 | Very high | 14 Ų | 14 | 37.7 Ų | 37.7 | 7% | 0.065 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.2 | -41.4 | 176.1 | -174.2 | 71.2 | 0 | 0 | 0 | 112.1 | F357 L404 F408 P468 M469 I470 V476 R477 | F357-H472 AromaticContact CD1-CE1 3.68Å; F357-H472 AromaticContact CE1-CE1 3.54Å; L404-H472 HydrophobicContact CD1-CB 3.92Å; L404-H472 HydrophobicContact CD2-CB 3.71Å; L404-H472 HydrophobicContact CG-CB 4.37Å; F408-H472 AromaticContact CD2-CD2 3.8Å; P468-H472 VanDerWaalsContact O-CB 3.23Å; P468-H472 WeakPolarHBondContact O-CB 3.41Å; P468-H472 PolarHBondContact O-N 3.49Å; M469-H472 PolarHBondContact O-N 3.31Å; I470-H472 VanDerWaalsContact C-N 3.31Å; I470-H472 PolarHBondContact O-N 3.5Å; H472-V476 WeakPolarHBondContact O-CA 3.27Å; H472-V476 VanDerWaalsContact O-CB 3.28Å; H472-V476 WeakPolarHBondContact O-CB 3.34Å; H472-V476 PolarHBondContact O-N 3.1Å; H472-R477 PolarHBondContact NE2-NE 3.44Å; H472-R477 PolarHBondContact NE2-NH2 3.45Å; H472-R477 PolarHBondContact O-N 3.44Å; H472-R477 VanDerWaalsContact O-N 3.11Å |
| 473 | L | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | I | π-helix | trans | -61.2 | -49.3 | 176.5 | -70.8 | 177.5 | 0 | 0 | 0 | 110.7 | F408 Y452 M469 I470 R477 L478 A489 A492 L496 | F408-L473 HydrophobicContact CD1-CD2 3.88Å; F408-L473 HydrophobicContact CD2-CD2 4.34Å; F408-L473 HydrophobicContact CE1-CD1 4.43Å; F408-L473 HydrophobicContact CE1-CD2 3.8Å; F408-L473 HydrophobicContact CE1-CG 4.4Å; F408-L473 HydrophobicContact CE2-CD2 4.25Å; F408-L473 HydrophobicContact CE2-CG 4.3Å; F408-L473 HydrophobicContact CG-CD2 4.15Å; F408-L473 HydrophobicContact CZ-CD1 4.13Å; F408-L473 HydrophobicContact CZ-CD2 3.97Å; F408-L473 HydrophobicContact CZ-CG 4.1Å; Y452-L473 HydrophobicContact CD1-CD2 4.26Å; Y452-L473 HydrophobicContact CE1-CD2 3.87Å; M469-L473 WeakPolarHBondContact O-CG 3.21Å; M469-L473 PolarHBondContact O-N 2.95Å; I470-L473 PolarHBondContact O-N 3.26Å; I470-L473 VanDerWaalsContact O-N 3.16Å; L473-R477 HydrophobicContact CD2-CB 4.16Å; L473-R477 HydrophobicContact CD2-CG 4.19Å; L473-R477 CarbonylContact O-C 3.48Å; L473-R477 WeakPolarHBondContact O-CA 3.43Å; L473-R477 PolarHBondContact O-N 3.1Å; L473-R477 VanDerWaalsContact O-N 3.1Å; L473-L478 WeakPolarHBondContact O-CG 3.31Å; L473-L478 PolarHBondContact O-N 3.3Å; L473-A489 HydrophobicContact CD2-CB 3.9Å; L473-A492 HydrophobicContact CD1-CB 3.82Å; L473-L496 HydrophobicContact CD1-CD1 3.53Å |
| 474 | V | 98.3 | Very high | 96.3 | Very high | 5 Ų | 5 | 31.1 Ų | 31.1 | 3% | 0.03 | 17% | 0.168 | C | C | . | . | I | π-helix | trans | -67.5 | -52.4 | -177.3 | 176.9 | 0 | 0 | 0 | 0 | 111.8 | I470 L493 V508 Q511 I512 | I470-V474 HydrophobicContact CG2-CG2 4.42Å; I470-V474 WeakPolarHBondContact O-CG2 3.32Å; I470-V474 PolarHBondContact O-N 2.8Å; V474-L493 HydrophobicContact CG2-CD1 3.82Å; V474-L493 HydrophobicContact CG2-CD2 4.18Å; V474-V508 HydrophobicContact CG2-CG1 3.58Å; V474-V508 HydrophobicContact CG2-CG2 4.44Å; V474-Q511 HydrophobicContact CG1-CG 4.41Å; V474-I512 HydrophobicContact CG1-CG2 4.02Å |
| 475 | N | 97.3 | Very high | 96.5 | Very high | 94 Ų | 94 | 27.2 Ų | 27.2 | 50% | 0.503 | 15% | 0.15 | S | C | . | . | I | π-helix | trans | -85.6 | -19.5 | -169.1 | -60.9 | -50.3 | 0 | 0 | 0 | 113.8 | D471 Q511 | D471-N475 WeakPolarHBondContact O-CB 3.33Å; D471-N475 PolarHBondContact O-N 2.93Å; D471-N475 PolarHBondContact O-ND2 2.96Å; N475-Q511 PolarHBondContact OD1-NE2 3.39Å |
| 476 | V | 95.8 | Very high | 96.5 | Very high | 69 Ų | 69 | 27.2 Ų | 27.2 | 42% | 0.418 | 15% | 0.15 | S | C | . | . | I | π-helix | trans | -121.3 | -48 | -175.9 | -171.9 | 0 | 0 | 0 | 0 | 112 | H472 H480 | H472-V476 WeakPolarHBondContact O-CA 3.27Å; H472-V476 VanDerWaalsContact O-CB 3.28Å; H472-V476 WeakPolarHBondContact O-CB 3.34Å; H472-V476 PolarHBondContact O-N 3.1Å; V476-H480 PolarHBondContact O-N 3.11Å |
| 477 | R | 97.2 | Very high | 96.6 | Very high | 9 Ų | 9 | 31.4 Ų | 31.4 | 3% | 0.034 | 17% | 0.165 | C | C | . | . | I | π-helix | trans | -85.9 | -33.2 | -169.2 | -57.4 | -62.4 | 178.2 | -178.2 | -0.7 | 114.8 | F408 H472 L473 G479 H480 I485 A489 | F408-R477 HydrophobicContact CB-CG 4.46Å; F408-R477 PolarHBondContact O-NE 3.05Å; F408-R477 PolarHBondContact O-NH1 2.94Å; F408-R477 PolarHBondContact O-NH2 3.49Å; H472-R477 PolarHBondContact NE2-NE 3.44Å; H472-R477 PolarHBondContact NE2-NH2 3.45Å; H472-R477 PolarHBondContact O-N 3.44Å; H472-R477 VanDerWaalsContact O-N 3.11Å; L473-R477 HydrophobicContact CD2-CB 4.16Å; L473-R477 HydrophobicContact CD2-CG 4.19Å; L473-R477 CarbonylContact O-C 3.48Å; L473-R477 WeakPolarHBondContact O-CA 3.43Å; L473-R477 PolarHBondContact O-N 3.1Å; L473-R477 VanDerWaalsContact O-N 3.1Å; R477-G479 PolarHBondContact O-N 3.1Å; R477-H480 WeakPolarHBondContact O-CB 3.44Å; R477-H480 PolarHBondContact O-N 3.12Å; R477-H480 VanDerWaalsContact O-N 3.12Å; R477-I485 HydrophobicContact CB-CG2 4.25Å; R477-A489 HydrophobicContact CB-CB 3.62Å |
| 478 | L | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -31.2 | 171.9 | -66.9 | -173.8 | 0 | 0 | 0 | 111.8 | L473 R486 A489 A490 L493 I512 G526 | L473-L478 WeakPolarHBondContact O-CG 3.31Å; L473-L478 PolarHBondContact O-N 3.3Å; L478-R486 WeakPolarHBondContact O-CD 3.05Å; L478-R486 VanDerWaalsContact O-CG 3.32Å; L478-R486 WeakPolarHBondContact O-CG 3.47Å; L478-A489 HydrophobicContact CD2-CB 3.94Å; L478-A490 HydrophobicContact CD2-CB 4.05Å; L478-L493 HydrophobicContact CD1-CD2 4.41Å; L478-I512 HydrophobicContact CD1-CG2 3.81Å; L478-G526 WeakPolarHBondContact O-CA 3.35Å |
| 479 | G | 95.2 | Very high | 96.7 | Very high | 27 Ų | 27 | 25.6 Ų | 25.6 | 28% | 0.278 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 0.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | R477 N523 | R477-G479 PolarHBondContact O-N 3.1Å; G479-N523 WeakPolarHBondContact CA-OD1 3.48Å; G479-N523 PolarHBondContact N-OD1 2.87Å |
| 480 | H | 94.2 | Very high | 96.8 | Very high | 10 Ų | 10 | 25.5 Ų | 25.5 | 5% | 0.046 | 14% | 0.136 | C | C | . | . | trans | -63.6 | 151.5 | -174.7 | -168.2 | -92.3 | 0 | 0 | 0 | 111.5 | V476 R477 D482 I485 R486 | V476-H480 PolarHBondContact O-N 3.11Å; R477-H480 WeakPolarHBondContact O-CB 3.44Å; R477-H480 PolarHBondContact O-N 3.12Å; R477-H480 VanDerWaalsContact O-N 3.12Å; H480-D482 WeakPolarHBondContact ND1-CB 3.36Å; H480-D482 PolarHBondContact ND1-N 2.9Å; H480-D482 VanDerWaalsContact ND1-N 3.1Å; H480-I485 HydrophobicContact CB-CB 4.29Å; H480-I485 HydrophobicContact CB-CG2 3.69Å; H480-R486 HydrophobicContact CB-CG 4.45Å; H480-R486 WeakPolarHBondContact O-CD 3.32Å; H480-R486 WeakPolarHBondContact O-CG 3.43Å; H480-R486 PolarHBondContact O-NH1 3.45Å | ||
| 481 | W | 91.3 | Very high | 96.8 | Very high | 58 Ų | 58 | 26 Ų | 26 | 22% | 0.22 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -75.4 | -29.2 | -176 | 64 | -89.4 | 0 | 0 | 0 | 114.5 | N366 D483 R486 H522 | N366-W481 HydrophobicContact CB-CZ2 3.82Å; N366-W481 PolarHBondContact ND2-NE1 3.45Å; W481-D483 PolarHBondContact O-N 3.04Å; W481-R486 PolarHBondContact O-NH1 3.36Å; W481-H522 WeakPolarHBondContact CA-ND1 3.45Å |
| 482 | D | 92.5 | Very high | 96.8 | Very high | 17 Ų | 17 | 24 Ų | 24 | 9% | 0.091 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -74.5 | 118.3 | 172.4 | -178.7 | -10.8 | 0 | 0 | 0 | 110.7 | R410 R448 H480 S484 I485 R486 | R410-D482 IonicContact CZ-OD2 2.7Å; R410-D482 IonicContact NE-OD2 3.8Å; R410-D482 IonicContact NH1-OD2 3.07Å; R410-D482 PolarHBondContact NH1-OD2 2.93Å; R448-D482 IonicContact NH1-OD2 3.77Å; R448-D482 PolarHBondContact NH1-OD2 3.42Å; H480-D482 WeakPolarHBondContact ND1-CB 3.36Å; H480-D482 PolarHBondContact ND1-N 2.9Å; H480-D482 VanDerWaalsContact ND1-N 3.1Å; D482-S484 VanDerWaalsContact C-N 3.3Å; D482-S484 PolarHBondContact O-N 2.91Å; D482-S484 WeakPolarHBondContact OD1-CB 3.43Å; D482-S484 PolarHBondContact OD1-N 2.78Å; D482-S484 PolarHBondContact OD1-OG 3.35Å; D482-S484 PolarHBondContact OD2-OG 3.12Å; D482-I485 HydrophobicContact CB-CB 4.13Å; D482-I485 HydrophobicContact CB-CG1 3.82Å; D482-I485 WeakPolarHBondContact O-CB 3.35Å; D482-I485 PolarHBondContact O-N 3.11Å; D482-I485 VanDerWaalsContact O-N 3.16Å; D482-R486 PolarHBondContact O-N 2.91Å |
| 483 | D | 93.8 | Very high | 96.8 | Very high | 38 Ų | 38 | 23.3 Ų | 23.3 | 20% | 0.203 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -57 | -38.7 | 177.9 | 177.9 | 58.1 | 0 | 0 | 0 | 113.5 | W481 I485 R486 Y487 Q525 K574 | W481-D483 PolarHBondContact O-N 3.04Å; D483-I485 VanDerWaalsContact C-N 3.31Å; D483-I485 PolarHBondContact O-N 3.15Å; D483-R486 VanDerWaalsContact CA-CZ 3.5Å; D483-R486 VanDerWaalsContact CA-NH2 3.34Å; D483-R486 PolarHBondContact O-N 3.02Å; D483-R486 IonicContact OD1-NH2 3.82Å; D483-Y487 PolarHBondContact O-N 2.92Å; D483-Q525 PolarHBondContact OD1-NE2 3.31Å; D483-Q525 PolarHBondContact OD1-OE1 2.9Å; D483-Q525 VanDerWaalsContact OD1-OE1 3.14Å; D483-K574 IonicContact OD1-NZ 3.79Å; D483-K574 IonicContact OD2-NZ 2.68Å; D483-K574 PolarHBondContact OD2-NZ 3.32Å |
| 484 | S | 95.9 | Very high | 96.7 | Very high | 36 Ų | 36 | 23.4 Ų | 23.4 | 25% | 0.252 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -67.2 | -33 | 178.8 | 68.2 | 0 | 0 | 0 | 0 | 112.4 | R448 D482 L488 | R448-S484 PolarHBondContact NH1-OG 2.68Å; R448-S484 PolarHBondContact NH2-OG 2.86Å; D482-S484 VanDerWaalsContact C-N 3.3Å; D482-S484 PolarHBondContact O-N 2.91Å; D482-S484 WeakPolarHBondContact OD1-CB 3.43Å; D482-S484 PolarHBondContact OD1-N 2.78Å; D482-S484 PolarHBondContact OD1-OG 3.35Å; D482-S484 PolarHBondContact OD2-OG 3.12Å; S484-L488 WeakPolarHBondContact O-CB 3.34Å; S484-L488 VanDerWaalsContact O-CG 3.31Å; S484-L488 WeakPolarHBondContact O-CG 3.14Å; S484-L488 PolarHBondContact O-N 2.94Å |
| 485 | I | 96.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -69.3 | -42.7 | 175.1 | -66.4 | -71.3 | 0 | 0 | 0 | 110.4 | R410 Y452 R477 H480 D482 D483 L488 A489 | R410-I485 HydrophobicContact CB-CD1 4.07Å; R410-I485 HydrophobicContact CB-CG1 4.36Å; R410-I485 HydrophobicContact CG-CD1 4.43Å; R410-I485 HydrophobicContact CG-CG1 4.47Å; Y452-I485 HydrophobicContact CE2-CD1 4.35Å; R477-I485 HydrophobicContact CB-CG2 4.25Å; H480-I485 HydrophobicContact CB-CB 4.29Å; H480-I485 HydrophobicContact CB-CG2 3.69Å; D482-I485 HydrophobicContact CB-CB 4.13Å; D482-I485 HydrophobicContact CB-CG1 3.82Å; D482-I485 WeakPolarHBondContact O-CB 3.35Å; D482-I485 PolarHBondContact O-N 3.11Å; D482-I485 VanDerWaalsContact O-N 3.16Å; D483-I485 VanDerWaalsContact C-N 3.31Å; D483-I485 PolarHBondContact O-N 3.15Å; I485-L488 PolarHBondContact O-N 3.05Å; I485-A489 WeakPolarHBondContact O-CB 3.28Å; I485-A489 PolarHBondContact O-N 3.31Å |
| 486 | R | 97.8 | Very high | 96.7 | Very high | 3 Ų | 3 | 23.3 Ų | 23.3 | 1% | 0.011 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.6 | -46.5 | 176.7 | -64.2 | -166.9 | -70.2 | -82.4 | 1.7 | 111.5 | L478 H480 W481 D482 D483 A489 A490 H522 | L478-R486 WeakPolarHBondContact O-CD 3.05Å; L478-R486 VanDerWaalsContact O-CG 3.32Å; L478-R486 WeakPolarHBondContact O-CG 3.47Å; H480-R486 HydrophobicContact CB-CG 4.45Å; H480-R486 WeakPolarHBondContact O-CD 3.32Å; H480-R486 WeakPolarHBondContact O-CG 3.43Å; H480-R486 PolarHBondContact O-NH1 3.45Å; W481-R486 PolarHBondContact O-NH1 3.36Å; D482-R486 PolarHBondContact O-N 2.91Å; D483-R486 VanDerWaalsContact CA-CZ 3.5Å; D483-R486 VanDerWaalsContact CA-NH2 3.34Å; D483-R486 PolarHBondContact O-N 3.02Å; D483-R486 IonicContact OD1-NH2 3.82Å; R486-A489 PolarHBondContact O-N 2.9Å; R486-A490 PolarHBondContact O-N 3.27Å; R486-H522 WeakPolarHBondContact CD-O 3.47Å |
| 487 | Y | 98.6 | Very high | 96.7 | Very high | 96 Ų | 96 | 21.2 Ų | 21.2 | 38% | 0.376 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -61.5 | -50.6 | 177.7 | 178.9 | -102.6 | 0 | 0 | 0 | 111.9 | D483 A489 A490 C491 Y529 H578 | D483-Y487 PolarHBondContact O-N 2.92Å; Y487-A489 VanDerWaalsContact C-N 3.29Å; Y487-A489 PolarHBondContact O-N 3.44Å; Y487-A490 PolarHBondContact O-N 2.98Å; Y487-C491 PolarHBondContact O-N 3.42Å; Y487-C491 PolarHBondContact O-SG 3.17Å; Y487-C491 VanDerWaalsContact O-SG 3.39Å; Y487-Y529 AromaticContact CD2-CD1 3.92Å; Y487-Y529 HydrophobicContact CD2-CD1 3.92Å; Y487-Y529 AromaticContact CD2-CE1 3.75Å; Y487-Y529 HydrophobicContact CD2-CE1 3.75Å; Y487-Y529 HydrophobicContact CD2-CE2 4.41Å; Y487-Y529 HydrophobicContact CD2-CG 4.34Å; Y487-Y529 HydrophobicContact CE2-CD1 4.34Å; Y487-Y529 HydrophobicContact CE2-CE1 4.17Å; Y487-H578 AromaticContact CE2-CE1 3.61Å; Y487-H578 AromaticContact CE2-ND1 3.74Å |
| 488 | L | 98.7 | Very high | 96.6 | Very high | 16 Ų | 16 | 26.9 Ų | 26.9 | 8% | 0.084 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.1 | -36.9 | 177.6 | -73.9 | 174.3 | 0 | 0 | 0 | 112.5 | R448 A449 Y452 L453 S484 I485 C491 A492 | R448-L488 HydrophobicContact CG-CD1 3.92Å; A449-L488 HydrophobicContact CB-CD2 4.1Å; Y452-L488 HydrophobicContact CD1-CB 3.68Å; Y452-L488 WeakPolarHBondContact CD1-O 3.16Å; Y452-L488 HydrophobicContact CD2-CB 4.37Å; Y452-L488 HydrophobicContact CD2-CD1 4.38Å; Y452-L488 HydrophobicContact CE1-CB 4.13Å; Y452-L488 HydrophobicContact CG-CB 3.8Å; Y452-L488 HydrophobicContact CG-CD1 4.5Å; L453-L488 HydrophobicContact CD1-CD2 4Å; L453-L488 HydrophobicContact CG-CD2 4.2Å; S484-L488 WeakPolarHBondContact O-CB 3.34Å; S484-L488 VanDerWaalsContact O-CG 3.31Å; S484-L488 WeakPolarHBondContact O-CG 3.14Å; S484-L488 PolarHBondContact O-N 2.94Å; I485-L488 PolarHBondContact O-N 3.05Å; L488-C491 PolarHBondContact O-N 3.12Å; L488-A492 VanDerWaalsContact O-CB 3.24Å; L488-A492 WeakPolarHBondContact O-CB 3.24Å; L488-A492 PolarHBondContact O-N 3.47Å |
| 489 | A | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.5 | -42.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y452 L473 R477 L478 I485 R486 Y487 A492 L493 | Y452-A489 HydrophobicContact CE1-CB 4.1Å; L473-A489 HydrophobicContact CD2-CB 3.9Å; R477-A489 HydrophobicContact CB-CB 3.62Å; L478-A489 HydrophobicContact CD2-CB 3.94Å; I485-A489 WeakPolarHBondContact O-CB 3.28Å; I485-A489 PolarHBondContact O-N 3.31Å; R486-A489 PolarHBondContact O-N 2.9Å; Y487-A489 VanDerWaalsContact C-N 3.29Å; Y487-A489 PolarHBondContact O-N 3.44Å; A489-A492 PolarHBondContact O-N 3.1Å; A489-L493 WeakPolarHBondContact O-CB 3.4Å; A489-L493 PolarHBondContact O-N 3.08Å |
| 490 | A | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.9 | -46.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L478 R486 Y487 A492 L493 G494 Y529 E533 | L478-A490 HydrophobicContact CD2-CB 4.05Å; R486-A490 PolarHBondContact O-N 3.27Å; Y487-A490 PolarHBondContact O-N 2.98Å; A490-A492 VanDerWaalsContact C-N 3.33Å; A490-A492 PolarHBondContact O-N 3.16Å; A490-L493 WeakPolarHBondContact O-CB 3.02Å; A490-L493 PolarHBondContact O-N 3.36Å; A490-G494 PolarHBondContact O-N 3.36Å; A490-Y529 HydrophobicContact CB-CG 4.48Å; A490-E533 HydrophobicContact CB-CG 4.35Å; A490-E533 VanDerWaalsContact O-CB 3.3Å; A490-E533 WeakPolarHBondContact O-CB 3.47Å |
| 491 | C | 98.7 | Very high | 96.5 | Very high | 12 Ų | 12 | 31.8 Ų | 31.8 | 8% | 0.081 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.4 | -39.7 | 176.5 | -64.2 | 0 | 0 | 0 | 0 | 112 | L453 Y487 L488 L493 G494 K495 E533 | L453-C491 HydrophobicContact CD2-CB 3.56Å; Y487-C491 PolarHBondContact O-N 3.42Å; Y487-C491 PolarHBondContact O-SG 3.17Å; Y487-C491 VanDerWaalsContact O-SG 3.39Å; L488-C491 PolarHBondContact O-N 3.12Å; C491-L493 VanDerWaalsContact C-N 3.33Å; C491-G494 PolarHBondContact O-N 2.9Å; C491-K495 WeakPolarHBondContact O-CG 3.4Å; C491-K495 PolarHBondContact O-N 3.24Å; C491-K495 VanDerWaalsContact O-N 3.15Å; C491-E533 PolarHBondContact SG-OE1 2.92Å |
| 492 | A | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.3 | -41.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y452 L473 L488 A489 A490 G494 K495 L496 | Y452-A492 HydrophobicContact CD1-CB 4.07Å; Y452-A492 WeakPolarHBondContact O-CB 3.42Å; L473-A492 HydrophobicContact CD1-CB 3.82Å; L488-A492 VanDerWaalsContact O-CB 3.24Å; L488-A492 WeakPolarHBondContact O-CB 3.24Å; L488-A492 PolarHBondContact O-N 3.47Å; A489-A492 PolarHBondContact O-N 3.1Å; A490-A492 VanDerWaalsContact C-N 3.33Å; A490-A492 PolarHBondContact O-N 3.16Å; A492-G494 PolarHBondContact O-N 2.89Å; A492-K495 PolarHBondContact O-N 3.44Å; A492-L496 WeakPolarHBondContact O-CB 3.33Å; A492-L496 WeakPolarHBondContact O-CG 3.27Å; A492-L496 PolarHBondContact O-N 3.25Å |
| 493 | L | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59 | -46.7 | 177 | -169.8 | 68.9 | 0 | 0 | 0 | 111.7 | I470 V474 L478 A489 A490 C491 K495 L496 Y497 M504 V508 I512 | I470-L493 HydrophobicContact CG2-CD1 4.15Å; V474-L493 HydrophobicContact CG2-CD1 3.82Å; V474-L493 HydrophobicContact CG2-CD2 4.18Å; L478-L493 HydrophobicContact CD1-CD2 4.41Å; A489-L493 WeakPolarHBondContact O-CB 3.4Å; A489-L493 PolarHBondContact O-N 3.08Å; A490-L493 WeakPolarHBondContact O-CB 3.02Å; A490-L493 PolarHBondContact O-N 3.36Å; C491-L493 VanDerWaalsContact C-N 3.33Å; L493-K495 PolarHBondContact O-N 3.03Å; L493-L496 PolarHBondContact O-N 3.13Å; L493-Y497 PolarHBondContact O-N 3.32Å; L493-M504 HydrophobicContact CD1-CE 3.41Å; L493-M504 VanDerWaalsContact CD1-CE 3.41Å; L493-M504 HydrophobicContact CD1-SD 3.88Å; L493-M504 HydrophobicContact CG-CE 3.65Å; L493-M504 WeakPolarHBondContact O-CE 3.42Å; L493-V508 HydrophobicContact CD1-CG1 4.22Å; L493-V508 HydrophobicContact CD2-CG1 4.08Å; L493-I512 HydrophobicContact CD2-CD1 3.92Å |
| 494 | G | 97.6 | Very high | 97 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56.9 | -47.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A490 C491 A492 L496 Y497 S537 | A490-G494 PolarHBondContact O-N 3.36Å; C491-G494 PolarHBondContact O-N 2.9Å; A492-G494 PolarHBondContact O-N 2.89Å; G494-L496 VanDerWaalsContact C-N 3.33Å; G494-L496 PolarHBondContact O-N 3.49Å; G494-Y497 WeakPolarHBondContact O-CB 3.26Å; G494-Y497 PolarHBondContact O-N 3.06Å; G494-S537 VanDerWaalsContact C-OG 3.28Å; G494-S537 VanDerWaalsContact CA-OG 3.32Å; G494-S537 WeakPolarHBondContact CA-OG 3.5Å; G494-S537 WeakPolarHBondContact O-CB 3.45Å; G494-S537 PolarHBondContact O-OG 3.32Å; G494-S537 VanDerWaalsContact O-OG 3.13Å |
| 495 | K | 97.8 | Very high | 96.9 | Very high | 96 Ų | 96 | 33.1 Ų | 33.1 | 42% | 0.417 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -68.4 | -27.8 | 178.9 | -66.6 | -164.7 | -179 | -163.1 | 0 | 114.4 | L453 I457 C491 A492 L493 Y497 | L453-K495 PolarHBondContact O-NZ 3.25Å; L453-K495 VanDerWaalsContact O-NZ 3.15Å; I457-K495 HydrophobicContact CD1-CB 3.77Å; I457-K495 HydrophobicContact CD1-CD 3.51Å; I457-K495 HydrophobicContact CD1-CG 4.28Å; I457-K495 HydrophobicContact CG1-CB 4.14Å; C491-K495 WeakPolarHBondContact O-CG 3.4Å; C491-K495 PolarHBondContact O-N 3.24Å; C491-K495 VanDerWaalsContact O-N 3.15Å; A492-K495 PolarHBondContact O-N 3.44Å; L493-K495 PolarHBondContact O-N 3.03Å; K495-Y497 VanDerWaalsContact C-N 3.27Å |
| 496 | L | 97.6 | Very high | 96.8 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -80.3 | -6.4 | 177.8 | -73.3 | 172.1 | 0 | 0 | 0 | 113.2 | A460 I470 L473 A492 L493 G494 I498 A499 | A460-L496 HydrophobicContact CB-CD2 3.33Å; I470-L496 HydrophobicContact CG1-CB 4.45Å; L473-L496 HydrophobicContact CD1-CD1 3.53Å; A492-L496 WeakPolarHBondContact O-CB 3.33Å; A492-L496 WeakPolarHBondContact O-CG 3.27Å; A492-L496 PolarHBondContact O-N 3.25Å; L493-L496 PolarHBondContact O-N 3.13Å; G494-L496 VanDerWaalsContact C-N 3.33Å; G494-L496 PolarHBondContact O-N 3.49Å; L496-I498 PolarHBondContact O-N 3.47Å; L496-I498 VanDerWaalsContact O-N 3.14Å; L496-A499 WeakPolarHBondContact O-CB 3.22Å; L496-A499 PolarHBondContact O-N 3.01Å |
| 497 | Y | 96.3 | Very high | 96.8 | Very high | 24 Ų | 24 | 43.8 Ų | 43.8 | 9% | 0.094 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -46.7 | -42.9 | 174.5 | 170.1 | -113.4 | 0 | 0 | 0 | 112.8 | L493 G494 K495 A499 D500 P501 M504 M505 L534 S537 | L493-Y497 PolarHBondContact O-N 3.32Å; G494-Y497 WeakPolarHBondContact O-CB 3.26Å; G494-Y497 PolarHBondContact O-N 3.06Å; K495-Y497 VanDerWaalsContact C-N 3.27Å; Y497-A499 PolarHBondContact O-N 3.41Å; Y497-A499 VanDerWaalsContact O-N 3.13Å; Y497-D500 CarbonylContact O-C 3.45Å; Y497-D500 PolarHBondContact O-N 2.96Å; Y497-P501 HydrophobicContact CD2-CB 4.39Å; Y497-P501 HydrophobicContact CE2-CB 3.7Å; Y497-P501 WeakPolarHBondContact O-CA 3.47Å; Y497-P501 WeakPolarHBondContact O-CD 3.44Å; Y497-P501 WeakPolarHBondContact O-CG 3.49Å; Y497-M504 HydrophobicContact CD2-CB 4.02Å; Y497-M505 HydrophobicContact CE2-CG 3.85Å; Y497-M505 HydrophobicContact CE2-SD 4.09Å; Y497-L534 HydrophobicContact CD2-CD1 3.84Å; Y497-L534 HydrophobicContact CG-CD1 4.25Å; Y497-S537 WeakPolarHBondContact CD1-O 3.46Å |
| 498 | I | 94.6 | Very high | 96.7 | Very high | 128 Ų | 128 | 39.2 Ų | 39.2 | 66% | 0.656 | 20% | 0.203 | S | C | * | . | G | 310 helix | trans | -64.2 | -17 | -178.8 | 62.2 | 171.1 | 0 | 0 | 0 | 114.5 | I457 L496 | I457-I498 HydrophobicContact CG2-CD1 4.43Å; L496-I498 PolarHBondContact O-N 3.47Å; L496-I498 VanDerWaalsContact O-N 3.14Å |
| 499 | A | 94.8 | Very high | 96.7 | Very high | 40 Ų | 40 | 38.5 Ų | 38.5 | 33% | 0.331 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -80.1 | -33.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A460 A466 L496 Y497 | A460-A499 HydrophobicContact CB-CB 3.98Å; A466-A499 HydrophobicContact CB-CB 4.28Å; L496-A499 WeakPolarHBondContact O-CB 3.22Å; L496-A499 PolarHBondContact O-N 3.01Å; Y497-A499 PolarHBondContact O-N 3.41Å; Y497-A499 VanDerWaalsContact O-N 3.13Å |
| 500 | D | 95.3 | Very high | 96.6 | Very high | 53 Ų | 53 | 40.3 Ų | 40.3 | 28% | 0.283 | 21% | 0.211 | S | C | . | . | trans | -153.9 | 74.7 | 177.2 | -164.2 | -20.6 | 0 | 0 | 0 | 110.8 | I470 Y497 D502 Y503 M504 | I470-D500 HydrophobicContact CD1-CB 4.33Å; Y497-D500 CarbonylContact O-C 3.45Å; Y497-D500 PolarHBondContact O-N 2.96Å; D500-D502 VanDerWaalsContact C-N 3.3Å; D500-D502 PolarHBondContact O-N 2.98Å; D500-Y503 PolarHBondContact O-N 3.37Å; D500-Y503 VanDerWaalsContact OD1-CB 3.23Å; D500-Y503 WeakPolarHBondContact OD1-CB 3.39Å; D500-Y503 PolarHBondContact OD1-N 2.62Å; D500-Y503 WeakPolarHBondContact OD2-CB 3.26Å; D500-M504 WeakPolarHBondContact O-CB 3.32Å; D500-M504 WeakPolarHBondContact O-CG 3.29Å; D500-M504 PolarHBondContact O-N 3.22Å | ||
| 501 | P | 95 | Very high | 96.6 | Very high | 47 Ų | 47 | 44.1 Ų | 44.1 | 31% | 0.305 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -57.6 | -39.6 | -174.9 | -27.9 | 36.3 | 0 | 0 | 0 | 114 | Y497 M504 M505 | Y497-P501 HydrophobicContact CD2-CB 4.39Å; Y497-P501 HydrophobicContact CE2-CB 3.7Å; Y497-P501 WeakPolarHBondContact O-CA 3.47Å; Y497-P501 WeakPolarHBondContact O-CD 3.44Å; Y497-P501 WeakPolarHBondContact O-CG 3.49Å; P501-M504 PolarHBondContact O-N 3.02Å; P501-M505 VanDerWaalsContact O-CG 3.31Å; P501-M505 WeakPolarHBondContact O-CG 3.43Å; P501-M505 PolarHBondContact O-N 3.38Å |
| 502 | D | 94.3 | Very high | 96.6 | Very high | 117 Ų | 117 | 43.6 Ų | 43.6 | 63% | 0.626 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -68.1 | -50 | -176.5 | -60.6 | -30 | 0 | 0 | 0 | 110.4 | D500 M504 M505 E506 | D500-D502 VanDerWaalsContact C-N 3.3Å; D500-D502 PolarHBondContact O-N 2.98Å; D502-M504 VanDerWaalsContact C-N 3.25Å; D502-M504 PolarHBondContact O-N 3Å; D502-M505 PolarHBondContact O-N 3.37Å; D502-E506 WeakPolarHBondContact O-CB 3.2Å; D502-E506 WeakPolarHBondContact O-CG 3.3Å; D502-E506 PolarHBondContact O-N 3.13Å |
| 503 | Y | 96.4 | Very high | 96.5 | Very high | 35 Ų | 35 | 43.7 Ų | 43.7 | 14% | 0.137 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.8 | -40.1 | 175.5 | -177.1 | -116.9 | 0 | 0 | 0 | 112.2 | K467 I470 D471 D500 I507 V508 | K467-Y503 HydrophobicContact CG-CE1 4.14Å; I470-Y503 HydrophobicContact CG2-CD1 4.17Å; I470-Y503 HydrophobicContact CG2-CE1 3.86Å; D471-Y503 WeakPolarHBondContact OD1-CE1 3.48Å; D471-Y503 PolarHBondContact OD1-OH 3.29Å; D500-Y503 PolarHBondContact O-N 3.37Å; D500-Y503 VanDerWaalsContact OD1-CB 3.23Å; D500-Y503 WeakPolarHBondContact OD1-CB 3.39Å; D500-Y503 PolarHBondContact OD1-N 2.62Å; D500-Y503 WeakPolarHBondContact OD2-CB 3.26Å; Y503-I507 HydrophobicContact CD2-CB 3.9Å; Y503-I507 HydrophobicContact CD2-CG1 3.78Å; Y503-I507 HydrophobicContact CD2-CG2 4.45Å; Y503-I507 HydrophobicContact CE2-CB 3.73Å; Y503-I507 HydrophobicContact CE2-CG1 3.84Å; Y503-I507 HydrophobicContact CE2-CG2 3.77Å; Y503-I507 WeakPolarHBondContact O-CB 3.29Å; Y503-I507 PolarHBondContact O-N 2.94Å; Y503-V508 HydrophobicContact CD1-CG2 4.01Å; Y503-V508 HydrophobicContact CE1-CG2 3.77Å; Y503-V508 PolarHBondContact O-N 2.87Å |
| 504 | M | 96.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | I | π-helix | trans | -66.3 | -38.8 | -178.8 | -69.9 | -74.5 | -81.6 | 0 | 0 | 112.1 | I470 L493 Y497 D500 P501 D502 V508 L509 L534 | I470-M504 HydrophobicContact CB-SD 4.46Å; I470-M504 HydrophobicContact CD1-CG 4.27Å; I470-M504 HydrophobicContact CD1-SD 3.89Å; I470-M504 HydrophobicContact CG1-SD 4.08Å; I470-M504 HydrophobicContact CG2-SD 3.51Å; I470-M504 VanDerWaalsContact CG2-SD 3.51Å; L493-M504 HydrophobicContact CD1-CE 3.41Å; L493-M504 VanDerWaalsContact CD1-CE 3.41Å; L493-M504 HydrophobicContact CD1-SD 3.88Å; L493-M504 HydrophobicContact CG-CE 3.65Å; L493-M504 WeakPolarHBondContact O-CE 3.42Å; Y497-M504 HydrophobicContact CD2-CB 4.02Å; D500-M504 WeakPolarHBondContact O-CB 3.32Å; D500-M504 WeakPolarHBondContact O-CG 3.29Å; D500-M504 PolarHBondContact O-N 3.22Å; P501-M504 PolarHBondContact O-N 3.02Å; D502-M504 VanDerWaalsContact C-N 3.25Å; D502-M504 PolarHBondContact O-N 3Å; M504-V508 WeakPolarHBondContact O-CB 3.36Å; M504-V508 HydrophobicContact SD-CB 4.18Å; M504-V508 HydrophobicContact SD-CG1 4.24Å; M504-V508 HydrophobicContact SD-CG2 3.96Å; M504-L509 WeakPolarHBondContact O-CB 3.44Å; M504-L509 PolarHBondContact O-N 3.28Å; M504-L534 HydrophobicContact CB-CD1 4.25Å; M504-L534 HydrophobicContact CE-CD1 3.69Å; M504-L534 HydrophobicContact CE-CD2 4.37Å |
| 505 | M | 95.1 | Very high | 96.5 | Very high | 25 Ų | 25 | 48.1 Ų | 48.1 | 12% | 0.123 | 25% | 0.251 | C | S | . | . | I | π-helix | trans | -85.1 | -36.1 | -178.7 | -65.1 | -56.8 | -66.6 | 0 | 0 | 113.5 | Y497 P501 D502 L509 P510 S538 I543 | Y497-M505 HydrophobicContact CE2-CG 3.85Å; Y497-M505 HydrophobicContact CE2-SD 4.09Å; P501-M505 VanDerWaalsContact O-CG 3.31Å; P501-M505 WeakPolarHBondContact O-CG 3.43Å; P501-M505 PolarHBondContact O-N 3.38Å; D502-M505 PolarHBondContact O-N 3.37Å; M505-L509 HydrophobicContact CE-CD2 3.45Å; M505-L509 VanDerWaalsContact CE-CD2 3.45Å; M505-L509 HydrophobicContact SD-CD2 3.98Å; M505-P510 WeakPolarHBondContact O-CD 3.35Å; M505-S538 VanDerWaalsContact SD-CB 3.59Å; M505-I543 HydrophobicContact CE-CG1 4.07Å |
| 506 | E | 94.5 | Very high | 96.6 | Very high | 142 Ų | 142 | 43.6 Ų | 43.6 | 66% | 0.664 | 23% | 0.231 | S | C | * | . | I | π-helix | trans | -84.7 | -33.9 | -175.4 | -65.8 | -174.6 | 169.8 | 0 | 0 | 113.3 | D502 | D502-E506 WeakPolarHBondContact O-CB 3.2Å; D502-E506 WeakPolarHBondContact O-CG 3.3Å; D502-E506 PolarHBondContact O-N 3.13Å |
| 507 | I | 96.6 | Very high | 96.5 | Very high | 86 Ų | 86 | 45.9 Ų | 45.9 | 44% | 0.441 | 24% | 0.243 | S | C | . | . | I | π-helix | trans | -112.7 | -54.4 | -174.4 | -55 | -60.9 | 0 | 0 | 0 | 111.3 | Y503 Q511 | Y503-I507 HydrophobicContact CD2-CB 3.9Å; Y503-I507 HydrophobicContact CD2-CG1 3.78Å; Y503-I507 HydrophobicContact CD2-CG2 4.45Å; Y503-I507 HydrophobicContact CE2-CB 3.73Å; Y503-I507 HydrophobicContact CE2-CG1 3.84Å; Y503-I507 HydrophobicContact CE2-CG2 3.77Å; Y503-I507 WeakPolarHBondContact O-CB 3.29Å; Y503-I507 PolarHBondContact O-N 2.94Å; I507-Q511 WeakPolarHBondContact O-CB 3.44Å; I507-Q511 PolarHBondContact O-N 3.14Å |
| 508 | V | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.267 | C | S | . | . | I | π-helix | trans | -70.8 | -47.2 | -171 | 175.8 | 0 | 0 | 0 | 0 | 111.8 | I470 V474 L493 Y503 M504 Q511 I512 L534 | I470-V508 HydrophobicContact CG2-CG2 3.8Å; V474-V508 HydrophobicContact CG2-CG1 3.58Å; V474-V508 HydrophobicContact CG2-CG2 4.44Å; L493-V508 HydrophobicContact CD1-CG1 4.22Å; L493-V508 HydrophobicContact CD2-CG1 4.08Å; Y503-V508 HydrophobicContact CD1-CG2 4.01Å; Y503-V508 HydrophobicContact CE1-CG2 3.77Å; Y503-V508 PolarHBondContact O-N 2.87Å; M504-V508 WeakPolarHBondContact O-CB 3.36Å; M504-V508 HydrophobicContact SD-CB 4.18Å; M504-V508 HydrophobicContact SD-CG1 4.24Å; M504-V508 HydrophobicContact SD-CG2 3.96Å; V508-Q511 WeakPolarHBondContact O-CB 3.47Å; V508-Q511 PolarHBondContact O-N 3.19Å; V508-I512 HydrophobicContact CG1-CD1 4.35Å; V508-I512 HydrophobicContact CG1-CG2 4.29Å; V508-I512 WeakPolarHBondContact O-CG1 3.43Å; V508-I512 PolarHBondContact O-N 3.11Å; V508-L534 HydrophobicContact CG1-CD2 4.24Å |
| 509 | L | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.3 | -50.7 | -177.3 | 178.3 | 65.4 | 0 | 0 | 0 | 112.3 | M504 M505 Q511 I512 I513 T531 L534 V535 I543 | M504-L509 WeakPolarHBondContact O-CB 3.44Å; M504-L509 PolarHBondContact O-N 3.28Å; M505-L509 HydrophobicContact CE-CD2 3.45Å; M505-L509 VanDerWaalsContact CE-CD2 3.45Å; M505-L509 HydrophobicContact SD-CD2 3.98Å; L509-Q511 VanDerWaalsContact C-N 3.28Å; L509-Q511 PolarHBondContact O-N 3.25Å; L509-I512 HydrophobicContact CD1-CD1 4.49Å; L509-I512 HydrophobicContact CD1-CG1 4.49Å; L509-I512 WeakPolarHBondContact O-CG1 3.36Å; L509-I512 PolarHBondContact O-N 2.98Å; L509-I513 HydrophobicContact CD1-CD1 3.8Å; L509-I513 HydrophobicContact CD1-CG1 4.03Å; L509-I513 HydrophobicContact CD2-CD1 4.45Å; L509-I513 HydrophobicContact CG-CD1 3.71Å; L509-I513 HydrophobicContact CG-CG1 4.38Å; L509-I513 WeakPolarHBondContact O-CB 3.48Å; L509-I513 VanDerWaalsContact O-CG1 3.24Å; L509-I513 WeakPolarHBondContact O-CG1 3.16Å; L509-I513 PolarHBondContact O-N 3.42Å; L509-T531 HydrophobicContact CD1-CG2 4.35Å; L509-L534 HydrophobicContact CB-CD2 3.8Å; L509-L534 HydrophobicContact CD1-CD2 4.12Å; L509-L534 HydrophobicContact CD1-CG 4.42Å; L509-V535 HydrophobicContact CD1-CG2 4.22Å; L509-I543 HydrophobicContact CD2-CG2 4.48Å |
| 510 | P | 97.4 | Very high | 96.3 | Very high | 39 Ų | 39 | 48.6 Ų | 48.6 | 25% | 0.253 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -57.9 | -38.8 | 174.5 | -26.5 | 35.7 | 0 | 0 | 0 | 113.4 | M505 N514 | M505-P510 WeakPolarHBondContact O-CD 3.35Å; P510-N514 PolarHBondContact O-N 2.97Å; P510-N514 VanDerWaalsContact O-N 3.07Å |
| 511 | Q | 98 | Very high | 96.3 | Very high | 79 Ų | 79 | 48.7 Ų | 48.7 | 37% | 0.369 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.1 | -48.8 | 178.8 | 179.4 | -177.8 | -9.7 | 0 | 0 | 111.7 | V474 N475 I507 V508 L509 N514 G515 | V474-Q511 HydrophobicContact CG1-CG 4.41Å; N475-Q511 PolarHBondContact OD1-NE2 3.39Å; I507-Q511 WeakPolarHBondContact O-CB 3.44Å; I507-Q511 PolarHBondContact O-N 3.14Å; V508-Q511 WeakPolarHBondContact O-CB 3.47Å; V508-Q511 PolarHBondContact O-N 3.19Å; L509-Q511 VanDerWaalsContact C-N 3.28Å; L509-Q511 PolarHBondContact O-N 3.25Å; Q511-N514 PolarHBondContact O-N 3.43Å; Q511-G515 PolarHBondContact O-N 2.92Å |
| 512 | I | 98.2 | Very high | 96.3 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -76.6 | -28.2 | -177.7 | 66.3 | -176.3 | 0 | 0 | 0 | 112.6 | V474 L478 L493 V508 L509 G515 S516 C527 T531 L534 | V474-I512 HydrophobicContact CG1-CG2 4.02Å; L478-I512 HydrophobicContact CD1-CG2 3.81Å; L493-I512 HydrophobicContact CD2-CD1 3.92Å; V508-I512 HydrophobicContact CG1-CD1 4.35Å; V508-I512 HydrophobicContact CG1-CG2 4.29Å; V508-I512 WeakPolarHBondContact O-CG1 3.43Å; V508-I512 PolarHBondContact O-N 3.11Å; L509-I512 HydrophobicContact CD1-CD1 4.49Å; L509-I512 HydrophobicContact CD1-CG1 4.49Å; L509-I512 WeakPolarHBondContact O-CG1 3.36Å; L509-I512 PolarHBondContact O-N 2.98Å; I512-G515 PolarHBondContact O-N 3.24Å; I512-S516 PolarHBondContact O-N 3.43Å; I512-S516 PolarHBondContact O-OG 2.89Å; I512-C527 HydrophobicContact CB-CB 4.41Å; I512-C527 WeakPolarHBondContact O-CB 3.19Å; I512-T531 PolarHBondContact O-OG1 3.46Å; I512-L534 HydrophobicContact CD1-CB 4.35Å; I512-L534 HydrophobicContact CD1-CD2 3.94Å |
| 513 | I | 98.2 | Very high | 96.4 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.8 | -50.1 | 168.8 | -71.4 | 165.9 | 0 | 0 | 0 | 109.7 | L509 G515 S516 T531 N547 K550 I551 | L509-I513 HydrophobicContact CD1-CD1 3.8Å; L509-I513 HydrophobicContact CD1-CG1 4.03Å; L509-I513 HydrophobicContact CD2-CD1 4.45Å; L509-I513 HydrophobicContact CG-CD1 3.71Å; L509-I513 HydrophobicContact CG-CG1 4.38Å; L509-I513 WeakPolarHBondContact O-CB 3.48Å; L509-I513 VanDerWaalsContact O-CG1 3.24Å; L509-I513 WeakPolarHBondContact O-CG1 3.16Å; L509-I513 PolarHBondContact O-N 3.42Å; I513-G515 VanDerWaalsContact C-N 3.31Å; I513-G515 PolarHBondContact O-N 2.94Å; I513-S516 VanDerWaalsContact O-CB 3.31Å; I513-S516 WeakPolarHBondContact O-CB 3.33Å; I513-S516 PolarHBondContact O-N 3.38Å; I513-S516 VanDerWaalsContact O-N 3.13Å; I513-T531 HydrophobicContact CG1-CG2 3.73Å; I513-N547 HydrophobicContact CD1-CB 3.97Å; I513-K550 HydrophobicContact CG2-CB 3.51Å; I513-K550 HydrophobicContact CG2-CD 4.34Å; I513-I551 HydrophobicContact CD1-CD1 4.05Å; I513-I551 HydrophobicContact CD1-CG1 3.68Å; I513-I551 HydrophobicContact CG1-CG1 4.02Å |
| 514 | N | 97.8 | Very high | 96.5 | Very high | 88 Ų | 88 | 42.7 Ų | 42.7 | 47% | 0.471 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.3 | -41.8 | 176.5 | -178.5 | 49.2 | 0 | 0 | 0 | 111.5 | P510 Q511 S516 I517 N518 | P510-N514 PolarHBondContact O-N 2.97Å; P510-N514 VanDerWaalsContact O-N 3.07Å; Q511-N514 PolarHBondContact O-N 3.43Å; N514-S516 PolarHBondContact O-N 3.18Å; N514-I517 PolarHBondContact O-N 3.39Å; N514-I517 VanDerWaalsContact O-N 3.14Å; N514-N518 PolarHBondContact O-N 3.15Å; N514-N518 PolarHBondContact OD1-ND2 3.18Å |
| 515 | G | 97.8 | Very high | 96.6 | Very high | 7 Ų | 7 | 42.7 Ų | 42.7 | 7% | 0.072 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.3 | -29.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114 | Q511 I512 I513 I517 S519 Q524 C527 | Q511-G515 PolarHBondContact O-N 2.92Å; I512-G515 PolarHBondContact O-N 3.24Å; I513-G515 VanDerWaalsContact C-N 3.31Å; I513-G515 PolarHBondContact O-N 2.94Å; G515-I517 PolarHBondContact O-N 3.44Å; G515-S519 WeakPolarHBondContact O-CB 3.42Å; G515-S519 PolarHBondContact O-OG 3.48Å; G515-Q524 WeakPolarHBondContact O-CA 3.44Å; G515-C527 VanDerWaalsContact C-CB 3.5Å |
| 516 | S | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.5 | -22 | 176.8 | -60.7 | 0 | 0 | 0 | 0 | 113 | I512 I513 N514 Q524 C527 I528 T531 | I512-S516 PolarHBondContact O-N 3.43Å; I512-S516 PolarHBondContact O-OG 2.89Å; I513-S516 VanDerWaalsContact O-CB 3.31Å; I513-S516 WeakPolarHBondContact O-CB 3.33Å; I513-S516 PolarHBondContact O-N 3.38Å; I513-S516 VanDerWaalsContact O-N 3.13Å; N514-S516 PolarHBondContact O-N 3.18Å; S516-Q524 VanDerWaalsContact O-CG 3.3Å; S516-Q524 WeakPolarHBondContact O-CG 3.34Å; S516-Q524 PolarHBondContact O-NE2 3.25Å; S516-C527 PolarHBondContact OG-O 3.18Å; S516-C527 VanDerWaalsContact OG-O 3.13Å; S516-I528 WeakPolarHBondContact OG-CA 3.29Å; S516-I528 PolarHBondContact OG-N 2.84Å; S516-T531 PolarHBondContact OG-OG1 2.99Å; S516-T531 VanDerWaalsContact OG-OG1 3.14Å |
| 517 | I | 96 | Very high | 96.9 | Very high | 50 Ų | 50 | 35 Ų | 35 | 26% | 0.256 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -108.9 | -47.1 | -179.7 | -56.5 | 175.5 | 0 | 0 | 0 | 110.7 | N514 G515 Q524 I554 A557 | N514-I517 PolarHBondContact O-N 3.39Å; N514-I517 VanDerWaalsContact O-N 3.14Å; G515-I517 PolarHBondContact O-N 3.44Å; I517-Q524 PolarHBondContact O-NE2 3.23Å; I517-Q524 VanDerWaalsContact O-NE2 3.13Å; I517-I554 HydrophobicContact CD1-CG1 4.3Å; I517-I554 HydrophobicContact CG1-CG1 4.34Å; I517-A557 HydrophobicContact CD1-CB 4.18Å; I517-A557 HydrophobicContact CG1-CB 4.3Å; I517-A557 HydrophobicContact CG2-CB 3.98Å |
| 518 | N | 93.6 | Very high | 97 | Very high | 112 Ų | 112 | 30.9 Ų | 30.9 | 60% | 0.599 | 17% | 0.171 | S | C | * | . | S | Bend | trans | -113.8 | 61.7 | -166.9 | -62.6 | -44.3 | 0 | 0 | 0 | 112.3 | N514 | N514-N518 PolarHBondContact O-N 3.15Å; N514-N518 PolarHBondContact OD1-ND2 3.18Å |
| 519 | S | 94.2 | Very high | 97.1 | Very high | 36 Ų | 36 | 31 Ų | 31 | 25% | 0.252 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -152.2 | 179.5 | 173.3 | 75 | 0 | 0 | 0 | 0 | 114.5 | G515 N523 Q524 | G515-S519 WeakPolarHBondContact O-CB 3.42Å; G515-S519 PolarHBondContact O-OG 3.48Å; S519-N523 VanDerWaalsContact CB-ND2 3.27Å; S519-N523 WeakPolarHBondContact CB-ND2 3.49Å; S519-N523 PolarHBondContact OG-ND2 3.47Å; S519-N523 VanDerWaalsContact OG-ND2 3.11Å; S519-Q524 WeakPolarHBondContact OG-CA 3.23Å; S519-Q524 WeakPolarHBondContact OG-CB 3.29Å; S519-Q524 PolarHBondContact OG-N 3.43Å |
| 520 | T | 93.9 | Very high | 97.1 | Very high | 102 Ų | 102 | 31 Ų | 31 | 63% | 0.626 | 17% | 0.172 | S | C | * | . | trans | -67.3 | 153.8 | 176 | 61.9 | 0 | 0 | 0 | 0 | 110.6 | H522 N523 Q524 | T520-H522 VanDerWaalsContact C-N 3.31Å; T520-H522 PolarHBondContact O-N 3.06Å; T520-H522 VanDerWaalsContact O-N 3.09Å; T520-N523 PolarHBondContact O-N 3.45Å; T520-Q524 VanDerWaalsContact O-CB 3.28Å; T520-Q524 WeakPolarHBondContact O-CB 3.06Å; T520-Q524 PolarHBondContact O-N 2.94Å | ||
| 521 | L | 94.8 | Very high | 97.2 | Very high | 54 Ų | 54 | 29.2 Ų | 29.2 | 28% | 0.283 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -44.6 | -49.4 | -173.3 | 175.6 | 62.6 | 0 | 0 | 0 | 114.7 | Q525 S568 L571 I572 | L521-Q525 PolarHBondContact O-N 2.93Å; L521-S568 WeakPolarHBondContact CD2-OG 3.23Å; L521-L571 HydrophobicContact CD2-CD1 4.34Å; L521-I572 HydrophobicContact CD1-CD1 3.98Å; L521-I572 HydrophobicContact CD1-CG1 3.88Å |
| 522 | H | 94.9 | Very high | 97.2 | Very high | 35 Ų | 35 | 25.4 Ų | 25.4 | 16% | 0.162 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.4 | -48.8 | -178.1 | -61.7 | 168.2 | 0 | 0 | 0 | 111.4 | W481 R486 T520 Q524 Q525 G526 | W481-H522 WeakPolarHBondContact CA-ND1 3.45Å; R486-H522 WeakPolarHBondContact CD-O 3.47Å; T520-H522 VanDerWaalsContact C-N 3.31Å; T520-H522 PolarHBondContact O-N 3.06Å; T520-H522 VanDerWaalsContact O-N 3.09Å; H522-Q524 PolarHBondContact O-N 3.48Å; H522-Q525 PolarHBondContact O-N 3.25Å; H522-G526 PolarHBondContact O-N 3.09Å |
| 523 | N | 97.1 | Very high | 97.2 | Very high | 36 Ų | 36 | 26 Ų | 26 | 19% | 0.193 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.2 | -36.8 | 177.8 | -168 | 73.4 | 0 | 0 | 0 | 111.7 | G479 S519 T520 G526 C527 | G479-N523 WeakPolarHBondContact CA-OD1 3.48Å; G479-N523 PolarHBondContact N-OD1 2.87Å; S519-N523 VanDerWaalsContact CB-ND2 3.27Å; S519-N523 WeakPolarHBondContact CB-ND2 3.49Å; S519-N523 PolarHBondContact OG-ND2 3.47Å; S519-N523 VanDerWaalsContact OG-ND2 3.11Å; T520-N523 PolarHBondContact O-N 3.45Å; N523-G526 PolarHBondContact O-N 3.46Å; N523-C527 PolarHBondContact ND2-SG 3.31Å; N523-C527 WeakPolarHBondContact O-CB 3.2Å; N523-C527 PolarHBondContact O-N 3.33Å; N523-C527 PolarHBondContact O-SG 2.75Å |
| 524 | Q | 98 | Very high | 97.1 | Very high | 3 Ų | 3 | 25.9 Ų | 25.9 | 1% | 0.014 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.6 | -50.2 | 176.8 | 179.3 | 165.9 | 53.1 | 0 | 0 | 110.4 | G515 S516 I517 S519 T520 H522 G526 C527 I528 L558 I572 | G515-Q524 WeakPolarHBondContact O-CA 3.44Å; S516-Q524 VanDerWaalsContact O-CG 3.3Å; S516-Q524 WeakPolarHBondContact O-CG 3.34Å; S516-Q524 PolarHBondContact O-NE2 3.25Å; I517-Q524 PolarHBondContact O-NE2 3.23Å; I517-Q524 VanDerWaalsContact O-NE2 3.13Å; S519-Q524 WeakPolarHBondContact OG-CA 3.23Å; S519-Q524 WeakPolarHBondContact OG-CB 3.29Å; S519-Q524 PolarHBondContact OG-N 3.43Å; T520-Q524 VanDerWaalsContact O-CB 3.28Å; T520-Q524 WeakPolarHBondContact O-CB 3.06Å; T520-Q524 PolarHBondContact O-N 2.94Å; H522-Q524 PolarHBondContact O-N 3.48Å; Q524-G526 PolarHBondContact O-N 2.68Å; Q524-C527 PolarHBondContact O-N 3.38Å; Q524-I528 HydrophobicContact CG-CD1 4.01Å; Q524-I528 WeakPolarHBondContact O-CD1 3.49Å; Q524-I528 VanDerWaalsContact O-CG1 3.24Å; Q524-I528 WeakPolarHBondContact O-CG1 3.41Å; Q524-I528 PolarHBondContact O-N 3.24Å; Q524-L558 HydrophobicContact CG-CD2 4.48Å; Q524-L558 VanDerWaalsContact NE2-CD2 3.31Å; Q524-I572 HydrophobicContact CB-CD1 4.36Å; Q524-I572 HydrophobicContact CG-CD1 3.93Å |
| 525 | Q | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.7 | -46.4 | 177.2 | -165.7 | -161.1 | 13.9 | 0 | 0 | 112.1 | D483 L521 H522 C527 I528 Y529 L571 I572 A575 | D483-Q525 PolarHBondContact OD1-NE2 3.31Å; D483-Q525 PolarHBondContact OD1-OE1 2.9Å; D483-Q525 VanDerWaalsContact OD1-OE1 3.14Å; L521-Q525 PolarHBondContact O-N 2.93Å; H522-Q525 PolarHBondContact O-N 3.25Å; Q525-C527 VanDerWaalsContact C-N 3.34Å; Q525-C527 PolarHBondContact O-N 3.41Å; Q525-I528 PolarHBondContact O-N 3.18Å; Q525-Y529 HydrophobicContact CG-CD2 4.23Å; Q525-Y529 HydrophobicContact CG-CE2 3.81Å; Q525-Y529 VanDerWaalsContact O-CD2 3.26Å; Q525-Y529 WeakPolarHBondContact O-CD2 3.45Å; Q525-Y529 PolarHBondContact O-N 2.59Å; Q525-Y529 VanDerWaalsContact O-N 3.13Å; Q525-L571 HydrophobicContact CG-CB 4.36Å; Q525-L571 WeakPolarHBondContact CG-O 3.38Å; Q525-L571 PolarHBondContact NE2-O 3.17Å; Q525-I572 HydrophobicContact CB-CD1 4Å; Q525-I572 HydrophobicContact CG-CD1 4.5Å; Q525-A575 HydrophobicContact CG-CB 3.57Å |
| 526 | G | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.4 | -42.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L478 H522 N523 Q524 I528 Y529 G530 | L478-G526 WeakPolarHBondContact O-CA 3.35Å; H522-G526 PolarHBondContact O-N 3.09Å; N523-G526 PolarHBondContact O-N 3.46Å; Q524-G526 PolarHBondContact O-N 2.68Å; G526-I528 PolarHBondContact O-N 2.97Å; G526-Y529 PolarHBondContact O-N 3.44Å; G526-G530 PolarHBondContact O-N 2.97Å |
| 527 | C | 98.8 | Very high | 96.9 | Very high | 5 Ų | 5 | 24.3 Ų | 24.3 | 3% | 0.034 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.3 | -37.7 | 176.3 | -73 | 0 | 0 | 0 | 0 | 112.7 | I512 G515 S516 N523 Q524 Q525 G530 T531 | I512-C527 HydrophobicContact CB-CB 4.41Å; I512-C527 WeakPolarHBondContact O-CB 3.19Å; G515-C527 VanDerWaalsContact C-CB 3.5Å; S516-C527 PolarHBondContact OG-O 3.18Å; S516-C527 VanDerWaalsContact OG-O 3.13Å; N523-C527 PolarHBondContact ND2-SG 3.31Å; N523-C527 WeakPolarHBondContact O-CB 3.2Å; N523-C527 PolarHBondContact O-N 3.33Å; N523-C527 PolarHBondContact O-SG 2.75Å; Q524-C527 PolarHBondContact O-N 3.38Å; Q525-C527 VanDerWaalsContact C-N 3.34Å; Q525-C527 PolarHBondContact O-N 3.41Å; C527-G530 PolarHBondContact O-N 3.34Å; C527-T531 WeakPolarHBondContact O-CB 3.2Å; C527-T531 PolarHBondContact O-N 3Å; C527-T531 PolarHBondContact O-OG1 3.46Å |
| 528 | I | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63 | -47.9 | 175.4 | -67.9 | 161.3 | 0 | 0 | 0 | 110.3 | S516 Q524 Q525 G526 G530 T531 G532 L558 I572 A575 F579 | S516-I528 WeakPolarHBondContact OG-CA 3.29Å; S516-I528 PolarHBondContact OG-N 2.84Å; Q524-I528 HydrophobicContact CG-CD1 4.01Å; Q524-I528 WeakPolarHBondContact O-CD1 3.49Å; Q524-I528 VanDerWaalsContact O-CG1 3.24Å; Q524-I528 WeakPolarHBondContact O-CG1 3.41Å; Q524-I528 PolarHBondContact O-N 3.24Å; Q525-I528 PolarHBondContact O-N 3.18Å; G526-I528 PolarHBondContact O-N 2.97Å; I528-G530 PolarHBondContact O-N 3.02Å; I528-T531 PolarHBondContact O-N 2.86Å; I528-G532 PolarHBondContact O-N 2.78Å; I528-L558 HydrophobicContact CD1-CD1 3.69Å; I528-L558 HydrophobicContact CD1-CD2 4.33Å; I528-L558 HydrophobicContact CG1-CD1 4.43Å; I528-I572 HydrophobicContact CD1-CD1 4.12Å; I528-I572 HydrophobicContact CD1-CG2 4.16Å; I528-A575 HydrophobicContact CB-CB 3.98Å; I528-A575 HydrophobicContact CG2-CB 3.74Å; I528-A575 WeakPolarHBondContact CG2-O 3.39Å; I528-F579 HydrophobicContact CG2-CB 3.69Å; I528-F579 HydrophobicContact CG2-CG 4.29Å |
| 529 | Y | 98.7 | Very high | 96.4 | Very high | 3 Ų | 3 | 20.5 Ų | 20.5 | 1% | 0.012 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59 | -48 | 173.5 | -73.7 | -61.1 | 0 | 0 | 0 | 111.6 | Y487 A490 Q525 G526 T531 G532 E533 K574 A575 H578 | Y487-Y529 AromaticContact CD2-CD1 3.92Å; Y487-Y529 HydrophobicContact CD2-CD1 3.92Å; Y487-Y529 AromaticContact CD2-CE1 3.75Å; Y487-Y529 HydrophobicContact CD2-CE1 3.75Å; Y487-Y529 HydrophobicContact CD2-CE2 4.41Å; Y487-Y529 HydrophobicContact CD2-CG 4.34Å; Y487-Y529 HydrophobicContact CE2-CD1 4.34Å; Y487-Y529 HydrophobicContact CE2-CE1 4.17Å; A490-Y529 HydrophobicContact CB-CG 4.48Å; Q525-Y529 HydrophobicContact CG-CD2 4.23Å; Q525-Y529 HydrophobicContact CG-CE2 3.81Å; Q525-Y529 VanDerWaalsContact O-CD2 3.26Å; Q525-Y529 WeakPolarHBondContact O-CD2 3.45Å; Q525-Y529 PolarHBondContact O-N 2.59Å; Q525-Y529 VanDerWaalsContact O-N 3.13Å; G526-Y529 PolarHBondContact O-N 3.44Å; Y529-T531 VanDerWaalsContact C-N 3.33Å; Y529-T531 PolarHBondContact O-N 3.44Å; Y529-G532 PolarHBondContact O-N 3.07Å; Y529-E533 WeakPolarHBondContact O-CG 3.45Å; Y529-E533 PolarHBondContact O-N 3.32Å; Y529-K574 WeakPolarHBondContact OH-CE 3.38Å; Y529-K574 WeakPolarHBondContact OH-CG 3.4Å; Y529-A575 HydrophobicContact CD1-CB 4.18Å; Y529-A575 HydrophobicContact CD2-CB 3.97Å; Y529-A575 VanDerWaalsContact CE1-CA 3.48Å; Y529-A575 HydrophobicContact CE1-CB 3.96Å; Y529-A575 HydrophobicContact CE2-CB 3.74Å; Y529-A575 HydrophobicContact CG-CB 4.17Å; Y529-H578 HydrophobicContact CD1-CB 3.78Å; Y529-H578 AromaticContact CD1-CD2 3.55Å; Y529-H578 AromaticContact CD1-CG 3.62Å; Y529-H578 HydrophobicContact CE1-CB 3.59Å; Y529-H578 AromaticContact CE1-CG 3.78Å |
| 530 | G | 98.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.5 | -40.8 | -177 | 0 | 0 | 0 | 0 | 0 | 112.2 | G526 C527 I528 E533 L534 | G526-G530 PolarHBondContact O-N 2.97Å; C527-G530 PolarHBondContact O-N 3.34Å; I528-G530 PolarHBondContact O-N 3.02Å; G530-E533 PolarHBondContact O-N 3.3Å; G530-L534 VanDerWaalsContact O-CB 3.29Å; G530-L534 WeakPolarHBondContact O-CB 3.49Å; G530-L534 PolarHBondContact O-N 2.82Å |
| 531 | T | 98.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.2 | -49.4 | 176 | -55.5 | 0 | 0 | 0 | 0 | 110 | L509 I512 I513 S516 C527 I528 Y529 L534 V535 I551 I554 F579 | L509-T531 HydrophobicContact CD1-CG2 4.35Å; I512-T531 PolarHBondContact O-OG1 3.46Å; I513-T531 HydrophobicContact CG1-CG2 3.73Å; S516-T531 PolarHBondContact OG-OG1 2.99Å; S516-T531 VanDerWaalsContact OG-OG1 3.14Å; C527-T531 WeakPolarHBondContact O-CB 3.2Å; C527-T531 PolarHBondContact O-N 3Å; C527-T531 PolarHBondContact O-OG1 3.46Å; I528-T531 PolarHBondContact O-N 2.86Å; Y529-T531 VanDerWaalsContact C-N 3.33Å; Y529-T531 PolarHBondContact O-N 3.44Å; T531-L534 PolarHBondContact O-N 3.27Å; T531-V535 HydrophobicContact CG2-CG2 4.3Å; T531-V535 VanDerWaalsContact O-CB 3.28Å; T531-V535 WeakPolarHBondContact O-CB 3.34Å; T531-V535 WeakPolarHBondContact O-CG2 3.29Å; T531-V535 PolarHBondContact O-N 3.12Å; T531-I551 HydrophobicContact CG2-CG1 4.26Å; T531-I554 HydrophobicContact CG2-CD1 3.99Å; T531-F579 HydrophobicContact CG2-CD2 4.41Å; T531-F579 HydrophobicContact CG2-CE2 3.91Å |
| 532 | G | 98.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.1 | -49.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I528 Y529 L534 V535 C536 K582 | I528-G532 PolarHBondContact O-N 2.78Å; Y529-G532 PolarHBondContact O-N 3.07Å; G532-L534 PolarHBondContact O-N 2.96Å; G532-V535 PolarHBondContact O-N 2.96Å; G532-C536 WeakPolarHBondContact O-CB 3.37Å; G532-C536 PolarHBondContact O-N 2.89Å; G532-K582 VanDerWaalsContact O-CB 3.26Å; G532-K582 WeakPolarHBondContact O-CB 3.45Å |
| 533 | E | 98.2 | Very high | 94.4 | Very high | 13 Ų | 13 | 25.1 Ų | 25.1 | 6% | 0.061 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62 | -41.8 | -179.7 | -71.5 | -68.8 | 172.4 | 0 | 0 | 112.9 | A490 C491 Y529 G530 S537 H578 K582 | A490-E533 HydrophobicContact CB-CG 4.35Å; A490-E533 VanDerWaalsContact O-CB 3.3Å; A490-E533 WeakPolarHBondContact O-CB 3.47Å; C491-E533 PolarHBondContact SG-OE1 2.92Å; Y529-E533 WeakPolarHBondContact O-CG 3.45Å; Y529-E533 PolarHBondContact O-N 3.32Å; G530-E533 PolarHBondContact O-N 3.3Å; E533-S537 WeakPolarHBondContact O-CB 3.39Å; E533-S537 PolarHBondContact O-N 3.45Å; E533-S537 PolarHBondContact O-OG 3.16Å; E533-H578 IonicContact OE1-CE1 3.95Å; E533-H578 PolarHBondContact OE1-CE1 3.46Å; E533-H578 IonicContact OE1-NE2 2.74Å; E533-H578 PolarHBondContact OE1-NE2 2.97Å; E533-K582 WeakPolarHBondContact OE1-CE 3.29Å; E533-K582 IonicContact OE1-NZ 3.43Å; E533-K582 PolarHBondContact OE1-NZ 3.06Å; E533-K582 WeakPolarHBondContact OE2-CE 3.49Å; E533-K582 IonicContact OE2-NZ 3.24Å; E533-K582 PolarHBondContact OE2-NZ 2.89Å |
| 534 | L | 97.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.6 | -44.8 | 178.7 | -174.6 | 52.8 | 0 | 0 | 0 | 111.4 | Y497 M504 V508 L509 I512 G530 T531 G532 C536 S537 S538 | Y497-L534 HydrophobicContact CD2-CD1 3.84Å; Y497-L534 HydrophobicContact CG-CD1 4.25Å; M504-L534 HydrophobicContact CB-CD1 4.25Å; M504-L534 HydrophobicContact CE-CD1 3.69Å; M504-L534 HydrophobicContact CE-CD2 4.37Å; V508-L534 HydrophobicContact CG1-CD2 4.24Å; L509-L534 HydrophobicContact CB-CD2 3.8Å; L509-L534 HydrophobicContact CD1-CD2 4.12Å; L509-L534 HydrophobicContact CD1-CG 4.42Å; I512-L534 HydrophobicContact CD1-CB 4.35Å; I512-L534 HydrophobicContact CD1-CD2 3.94Å; G530-L534 VanDerWaalsContact O-CB 3.29Å; G530-L534 WeakPolarHBondContact O-CB 3.49Å; G530-L534 PolarHBondContact O-N 2.82Å; T531-L534 PolarHBondContact O-N 3.27Å; G532-L534 PolarHBondContact O-N 2.96Å; L534-C536 VanDerWaalsContact C-N 3.34Å; L534-C536 PolarHBondContact O-N 3.3Å; L534-S537 PolarHBondContact O-N 3.45Å; L534-S538 WeakPolarHBondContact O-CB 3.25Å; L534-S538 PolarHBondContact O-N 3.48Å; L534-S538 PolarHBondContact O-OG 2.98Å |
| 535 | V | 96.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.6 | -44.9 | 175.3 | 164.6 | 0 | 0 | 0 | 0 | 111.9 | L509 T531 G532 S537 S538 S539 I543 I551 A586 L588 | L509-V535 HydrophobicContact CD1-CG2 4.22Å; T531-V535 HydrophobicContact CG2-CG2 4.3Å; T531-V535 VanDerWaalsContact O-CB 3.28Å; T531-V535 WeakPolarHBondContact O-CB 3.34Å; T531-V535 WeakPolarHBondContact O-CG2 3.29Å; T531-V535 PolarHBondContact O-N 3.12Å; G532-V535 PolarHBondContact O-N 2.96Å; V535-S537 VanDerWaalsContact C-N 3.33Å; V535-S537 PolarHBondContact O-N 2.87Å; V535-S538 PolarHBondContact O-N 3.26Å; V535-S538 PolarHBondContact O-OG 3.43Å; V535-S539 PolarHBondContact O-N 3.39Å; V535-I543 HydrophobicContact CB-CD1 4.4Å; V535-I543 HydrophobicContact CG1-CD1 3.97Å; V535-I543 HydrophobicContact CG2-CD1 4.02Å; V535-I551 HydrophobicContact CG2-CD1 3.67Å; V535-A586 HydrophobicContact CG1-CB 3.95Å; V535-L588 HydrophobicContact CG1-CD1 4.02Å; V535-L588 HydrophobicContact CG1-CD2 3.85Å; V535-L588 HydrophobicContact CG1-CG 4.13Å |
| 536 | C | 96.4 | Very high | 93.7 | Very high | 21 Ų | 21 | 40.3 Ų | 40.3 | 14% | 0.142 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66 | -38.2 | 178.2 | -174.4 | 0 | 0 | 0 | 0 | 112.2 | G532 L534 S539 K582 | G532-C536 WeakPolarHBondContact O-CB 3.37Å; G532-C536 PolarHBondContact O-N 2.89Å; L534-C536 VanDerWaalsContact C-N 3.34Å; L534-C536 PolarHBondContact O-N 3.3Å; C536-S539 WeakPolarHBondContact O-CB 3.25Å; C536-S539 PolarHBondContact O-OG 3.17Å; C536-K582 HydrophobicContact CB-CB 4Å; C536-K582 HydrophobicContact CB-CD 3.8Å; C536-K582 HydrophobicContact CB-CG 4.48Å |
| 537 | S | 95.7 | Very high | 93.6 | Very high | 40 Ų | 40 | 40.6 Ų | 40.6 | 28% | 0.28 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -75.2 | -26.7 | -178.8 | -54.9 | 0 | 0 | 0 | 0 | 112.6 | G494 Y497 E533 L534 V535 S539 | G494-S537 VanDerWaalsContact C-OG 3.28Å; G494-S537 VanDerWaalsContact CA-OG 3.32Å; G494-S537 WeakPolarHBondContact CA-OG 3.5Å; G494-S537 WeakPolarHBondContact O-CB 3.45Å; G494-S537 PolarHBondContact O-OG 3.32Å; G494-S537 VanDerWaalsContact O-OG 3.13Å; Y497-S537 WeakPolarHBondContact CD1-O 3.46Å; E533-S537 WeakPolarHBondContact O-CB 3.39Å; E533-S537 PolarHBondContact O-N 3.45Å; E533-S537 PolarHBondContact O-OG 3.16Å; L534-S537 PolarHBondContact O-N 3.45Å; V535-S537 VanDerWaalsContact C-N 3.33Å; V535-S537 PolarHBondContact O-N 2.87Å; S537-S539 VanDerWaalsContact C-N 3.35Å |
| 538 | S | 92.3 | Very high | 93.4 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.007 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 19.9 | 176.2 | 65.6 | 0 | 0 | 0 | 0 | 113.9 | M505 L534 V535 S540 C541 | M505-S538 VanDerWaalsContact SD-CB 3.59Å; L534-S538 WeakPolarHBondContact O-CB 3.25Å; L534-S538 PolarHBondContact O-N 3.48Å; L534-S538 PolarHBondContact O-OG 2.98Å; V535-S538 PolarHBondContact O-N 3.26Å; V535-S538 PolarHBondContact O-OG 3.43Å; S538-S540 PolarHBondContact O-N 2.91Å; S538-C541 WeakPolarHBondContact O-CA 2.97Å; S538-C541 WeakPolarHBondContact O-CB 3.45Å; S538-C541 PolarHBondContact O-N 3.41Å |
| 539 | S | 85.7 | Confident | 93.3 | Very high | 81 Ų | 81 | 46.7 Ų | 46.7 | 57% | 0.566 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -17.7 | 179.8 | 48.5 | 0 | 0 | 0 | 0 | 114.9 | V535 C536 S537 C541 | V535-S539 PolarHBondContact O-N 3.39Å; C536-S539 WeakPolarHBondContact O-CB 3.25Å; C536-S539 PolarHBondContact O-OG 3.17Å; S537-S539 VanDerWaalsContact C-N 3.35Å; S539-C541 VanDerWaalsContact C-N 3.35Å |
| 540 | S | 81.4 | Confident | 93.2 | Very high | 110 Ų | 110 | 50.3 Ų | 50.3 | 77% | 0.769 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -12.5 | 171.2 | 54.6 | 0 | 0 | 0 | 0 | 114.2 | S538 | S538-S540 PolarHBondContact O-N 2.91Š|
| 541 | C | 83.4 | Confident | 93.2 | Very high | 55 Ų | 55 | 50.3 Ų | 50.3 | 37% | 0.372 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -108.8 | 142.3 | -177.6 | -173.1 | 0 | 0 | 0 | 0 | 110.5 | S538 S539 I543 | S538-C541 WeakPolarHBondContact O-CA 2.97Å; S538-C541 WeakPolarHBondContact O-CB 3.45Å; S538-C541 PolarHBondContact O-N 3.41Å; S539-C541 VanDerWaalsContact C-N 3.35Å; C541-I543 PolarHBondContact O-N 2.87Å |
| 542 | V | 82.9 | Confident | 93.1 | Very high | 137 Ų | 137 | 52.2 Ų | 52.2 | 83% | 0.83 | 29% | 0.291 | S | S | * | . | trans | -76.8 | 110.6 | 175 | -177.8 | 0 | 0 | 0 | 0 | 108.6 | N544 | V542-N544 PolarHBondContact O-N 2.98Š| ||
| 543 | I | 89.9 | Confident | 93 | Very high | 21 Ų | 21 | 57 Ų | 57 | 11% | 0.108 | 31% | 0.313 | C | S | . | . | trans | -64.3 | 128 | 170.1 | -56.3 | 179.3 | 0 | 0 | 0 | 108 | M505 L509 V535 C541 N547 L548 I551 L588 | M505-I543 HydrophobicContact CE-CG1 4.07Å; L509-I543 HydrophobicContact CD2-CG2 4.48Å; V535-I543 HydrophobicContact CB-CD1 4.4Å; V535-I543 HydrophobicContact CG1-CD1 3.97Å; V535-I543 HydrophobicContact CG2-CD1 4.02Å; C541-I543 PolarHBondContact O-N 2.87Å; I543-N547 HydrophobicContact CG2-CB 3.81Å; I543-L548 HydrophobicContact CG2-CB 4.45Å; I543-I551 HydrophobicContact CD1-CD1 4.23Å; I543-I551 HydrophobicContact CG2-CD1 4.17Å; I543-L588 HydrophobicContact CD1-CD2 3.96Å | ||
| 544 | N | 91.5 | Very high | 93 | Very high | 84 Ų | 84 | 56.3 Ų | 56.3 | 45% | 0.449 | 31% | 0.311 | S | S | . | . | trans | -60.5 | 153 | 178.8 | 70.8 | 20.7 | 0 | 0 | 0 | 111.7 | V542 E546 N547 L548 | V542-N544 PolarHBondContact O-N 2.98Å; N544-E546 VanDerWaalsContact C-N 3.26Å; N544-E546 PolarHBondContact O-N 3.03Å; N544-N547 PolarHBondContact O-N 3.31Å; N544-N547 WeakPolarHBondContact OD1-CB 3.1Å; N544-N547 PolarHBondContact OD1-N 3.18Å; N544-N547 PolarHBondContact OD1-ND2 3.33Å; N544-N547 VanDerWaalsContact OD1-ND2 3.12Å; N544-L548 WeakPolarHBondContact O-CB 3.42Å; N544-L548 PolarHBondContact O-N 3.47Å | ||
| 545 | E | 92.2 | Very high | 93.1 | Very high | 157 Ų | 157 | 56.4 Ų | 56.4 | 73% | 0.734 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -60.6 | -36.1 | -172.8 | -166.1 | 172.9 | -169.1 | 0 | 0 | 112.3 | L548 L549 | E545-L548 PolarHBondContact O-N 3.03Å; E545-L549 WeakPolarHBondContact O-CG 3.43Å; E545-L549 PolarHBondContact O-N 3.48Å |
| 546 | E | 94.8 | Very high | 93.1 | Very high | 118 Ų | 118 | 57.9 Ų | 57.9 | 55% | 0.551 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61.9 | -49 | 176.8 | -172.4 | -173 | 164.3 | 0 | 0 | 112.4 | N544 L548 L549 K550 | N544-E546 VanDerWaalsContact C-N 3.26Å; N544-E546 PolarHBondContact O-N 3.03Å; E546-L548 VanDerWaalsContact C-N 3.34Å; E546-L549 PolarHBondContact O-N 3.34Å; E546-K550 WeakPolarHBondContact O-CG 3.21Å; E546-K550 PolarHBondContact O-N 3.05Å; E546-K550 VanDerWaalsContact O-N 3.1Å; E546-K550 WeakPolarHBondContact OE1-CE 3.35Å; E546-K550 IonicContact OE1-NZ 3.89Å; E546-K550 PolarHBondContact OE1-NZ 2.7Å |
| 547 | N | 95 | Very high | 93.2 | Very high | 6 Ų | 6 | 58 Ų | 58 | 3% | 0.032 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69.1 | -35.5 | 178.1 | -71.7 | -28.5 | 0 | 0 | 0 | 111.1 | I513 I543 N544 L549 K550 I551 | I513-N547 HydrophobicContact CD1-CB 3.97Å; I543-N547 HydrophobicContact CG2-CB 3.81Å; N544-N547 PolarHBondContact O-N 3.31Å; N544-N547 WeakPolarHBondContact OD1-CB 3.1Å; N544-N547 PolarHBondContact OD1-N 3.18Å; N544-N547 PolarHBondContact OD1-ND2 3.33Å; N544-N547 VanDerWaalsContact OD1-ND2 3.12Å; N547-L549 VanDerWaalsContact C-N 3.35Å; N547-L549 PolarHBondContact O-N 2.79Å; N547-K550 PolarHBondContact O-N 3.31Å; N547-I551 WeakPolarHBondContact O-CB 3.48Å; N547-I551 WeakPolarHBondContact O-CD1 3.49Å; N547-I551 WeakPolarHBondContact O-CG1 3.28Å; N547-I551 PolarHBondContact O-N 2.99Å |
| 548 | L | 95.6 | Very high | 93.2 | Very high | 31 Ų | 31 | 56.2 Ų | 56.2 | 16% | 0.162 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.8 | -43.9 | 176.3 | -172.3 | 69.9 | 0 | 0 | 0 | 111.6 | I543 N544 E545 E546 I551 K552 L588 P589 F590 | I543-L548 HydrophobicContact CG2-CB 4.45Å; N544-L548 WeakPolarHBondContact O-CB 3.42Å; N544-L548 PolarHBondContact O-N 3.47Å; E545-L548 PolarHBondContact O-N 3.03Å; E546-L548 VanDerWaalsContact C-N 3.34Å; L548-I551 PolarHBondContact O-N 3.04Å; L548-K552 PolarHBondContact O-N 3.03Å; L548-L588 HydrophobicContact CD1-CD1 4.49Å; L548-L588 HydrophobicContact CD1-CD2 4.22Å; L548-P589 HydrophobicContact CD1-CG 4.48Å; L548-P589 HydrophobicContact CD2-CG 3.9Å; L548-F590 HydrophobicContact CD1-CE1 3.76Å; L548-F590 HydrophobicContact CD1-CE2 4.3Å; L548-F590 HydrophobicContact CD1-CZ 3.44Å; L548-F590 VanDerWaalsContact CD1-CZ 3.44Å; L548-F590 HydrophobicContact CD2-CE1 4.2Å; L548-F590 HydrophobicContact CG-CE1 3.72Å; L548-F590 HydrophobicContact CG-CZ 3.81Å |
| 549 | L | 96.4 | Very high | 93.4 | Very high | 101 Ų | 101 | 60.7 Ų | 60.7 | 53% | 0.529 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.5 | -43.2 | 173.6 | -71.7 | 172.9 | 0 | 0 | 0 | 111.8 | E545 E546 N547 I551 K552 E553 | E545-L549 WeakPolarHBondContact O-CG 3.43Å; E545-L549 PolarHBondContact O-N 3.48Å; E546-L549 PolarHBondContact O-N 3.34Å; N547-L549 VanDerWaalsContact C-N 3.35Å; N547-L549 PolarHBondContact O-N 2.79Å; L549-I551 PolarHBondContact O-N 3.44Å; L549-K552 WeakPolarHBondContact O-CB 3.4Å; L549-K552 PolarHBondContact O-N 3.24Å; L549-E553 WeakPolarHBondContact O-CG 3.25Å; L549-E553 PolarHBondContact O-N 3.17Å; L549-E553 VanDerWaalsContact O-N 3.17Å |
| 550 | K | 96.9 | Very high | 93.9 | Very high | 79 Ų | 79 | 61.3 Ų | 61.3 | 34% | 0.343 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.9 | -37.2 | 177.4 | -66.5 | 171.9 | -175.7 | 167 | 0 | 112.6 | I513 E546 N547 E553 I554 | I513-K550 HydrophobicContact CG2-CB 3.51Å; I513-K550 HydrophobicContact CG2-CD 4.34Å; E546-K550 WeakPolarHBondContact O-CG 3.21Å; E546-K550 PolarHBondContact O-N 3.05Å; E546-K550 VanDerWaalsContact O-N 3.1Å; E546-K550 WeakPolarHBondContact OE1-CE 3.35Å; E546-K550 IonicContact OE1-NZ 3.89Å; E546-K550 PolarHBondContact OE1-NZ 2.7Å; N547-K550 PolarHBondContact O-N 3.31Å; K550-E553 PolarHBondContact O-N 3.5Å; K550-I554 WeakPolarHBondContact O-CG1 3.42Å; K550-I554 PolarHBondContact O-N 3.07Å |
| 551 | I | 97.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.6 | -45.6 | 174.6 | -73.5 | 164.1 | 0 | 0 | 0 | 110.1 | I513 T531 V535 I543 N547 L548 L549 E553 I554 F579 L588 | I513-I551 HydrophobicContact CD1-CD1 4.05Å; I513-I551 HydrophobicContact CD1-CG1 3.68Å; I513-I551 HydrophobicContact CG1-CG1 4.02Å; T531-I551 HydrophobicContact CG2-CG1 4.26Å; V535-I551 HydrophobicContact CG2-CD1 3.67Å; I543-I551 HydrophobicContact CD1-CD1 4.23Å; I543-I551 HydrophobicContact CG2-CD1 4.17Å; N547-I551 WeakPolarHBondContact O-CB 3.48Å; N547-I551 WeakPolarHBondContact O-CD1 3.49Å; N547-I551 WeakPolarHBondContact O-CG1 3.28Å; N547-I551 PolarHBondContact O-N 2.99Å; L548-I551 PolarHBondContact O-N 3.04Å; L549-I551 PolarHBondContact O-N 3.44Å; I551-E553 VanDerWaalsContact C-N 3.27Å; I551-E553 PolarHBondContact O-N 3.13Å; I551-I554 PolarHBondContact O-N 2.83Å; I551-F579 HydrophobicContact CG2-CE2 4.09Å; I551-F579 HydrophobicContact CG2-CZ 3.71Å; I551-L588 HydrophobicContact CG2-CD1 3.87Å |
| 552 | K | 97 | Very high | 95.1 | Very high | 41 Ų | 41 | 60 Ų | 60 | 18% | 0.178 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56.2 | -40.7 | 176.7 | -177.8 | -176.6 | 168.6 | 175.4 | 0 | 112 | L548 L549 I554 P556 F590 D593 I595 | L548-K552 PolarHBondContact O-N 3.03Å; L549-K552 WeakPolarHBondContact O-CB 3.4Å; L549-K552 PolarHBondContact O-N 3.24Å; K552-I554 VanDerWaalsContact C-N 3.35Å; K552-I554 PolarHBondContact O-N 2.74Å; K552-P556 VanDerWaalsContact O-CD 3.32Å; K552-P556 WeakPolarHBondContact O-CD 3.34Å; K552-F590 HydrophobicContact CB-CE1 4.06Å; K552-F590 HydrophobicContact CB-CZ 3.86Å; K552-F590 HydrophobicContact CD-CE1 4.35Å; K552-F590 HydrophobicContact CG-CE1 4.39Å; K552-D593 WeakPolarHBondContact CE-OD1 3.37Å; K552-D593 WeakPolarHBondContact CE-OD2 3.14Å; K552-D593 IonicContact NZ-OD1 3.09Å; K552-D593 PolarHBondContact NZ-OD1 3.04Å; K552-D593 IonicContact NZ-OD2 2.74Å; K552-D593 PolarHBondContact NZ-OD2 3.34Å; K552-I595 HydrophobicContact CG-CB 3.98Å; K552-I595 HydrophobicContact CG-CD1 4.19Å; K552-I595 HydrophobicContact CG-CG1 3.85Å; K552-I595 HydrophobicContact CG-CG2 4.2Å; K552-I595 VanDerWaalsContact O-CD1 3.27Å; K552-I595 WeakPolarHBondContact O-CD1 3.07Å |
| 553 | E | 96.9 | Very high | 95.7 | Very high | 99 Ų | 99 | 57.6 Ų | 57.6 | 46% | 0.463 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -77.5 | -8.9 | -176.6 | -70.4 | -57.4 | 128.1 | 0 | 0 | 115.3 | L549 K550 I551 V555 P556 A557 | L549-E553 WeakPolarHBondContact O-CG 3.25Å; L549-E553 PolarHBondContact O-N 3.17Å; L549-E553 VanDerWaalsContact O-N 3.17Å; K550-E553 PolarHBondContact O-N 3.5Å; I551-E553 VanDerWaalsContact C-N 3.27Å; I551-E553 PolarHBondContact O-N 3.13Å; E553-V555 PolarHBondContact O-N 2.94Å; E553-P556 WeakPolarHBondContact O-CD 3.44Å; E553-A557 WeakPolarHBondContact O-CB 3.38Å; E553-A557 PolarHBondContact O-N 2.99Å |
| 554 | I | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.4 | -54.2 | -177.4 | -66.9 | 174.5 | 0 | 0 | 0 | 111.5 | I517 T531 K550 I551 K552 A557 L558 F579 | I517-I554 HydrophobicContact CD1-CG1 4.3Å; I517-I554 HydrophobicContact CG1-CG1 4.34Å; T531-I554 HydrophobicContact CG2-CD1 3.99Å; K550-I554 WeakPolarHBondContact O-CG1 3.42Å; K550-I554 PolarHBondContact O-N 3.07Å; I551-I554 PolarHBondContact O-N 2.83Å; K552-I554 VanDerWaalsContact C-N 3.35Å; K552-I554 PolarHBondContact O-N 2.74Å; I554-A557 PolarHBondContact O-N 3.32Å; I554-L558 HydrophobicContact CG2-CD1 3.9Å; I554-L558 HydrophobicContact CG2-CG 4.48Å; I554-L558 VanDerWaalsContact O-CG 3.23Å; I554-L558 WeakPolarHBondContact O-CG 3.23Å; I554-L558 PolarHBondContact O-N 3.3Å; I554-F579 HydrophobicContact CB-CE1 4.5Å; I554-F579 HydrophobicContact CB-CZ 4.38Å; I554-F579 HydrophobicContact CD1-CE2 3.93Å; I554-F579 HydrophobicContact CD1-CZ 3.92Å |
| 555 | V | 98.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.5 | -45.9 | -176.3 | -175.3 | 0 | 0 | 0 | 0 | 112 | E553 A557 L558 K559 F564 T576 F579 V598 F602 | E553-V555 PolarHBondContact O-N 2.94Å; V555-A557 PolarHBondContact O-N 2.74Å; V555-L558 PolarHBondContact O-N 2.77Å; V555-K559 PolarHBondContact O-N 3.3Å; V555-F564 HydrophobicContact CG1-CZ 4.35Å; V555-T576 HydrophobicContact CG1-CG2 4.17Å; V555-T576 HydrophobicContact CG2-CG2 3.76Å; V555-F579 HydrophobicContact CG2-CD1 4.14Å; V555-F579 HydrophobicContact CG2-CE1 3.96Å; V555-V598 HydrophobicContact CG1-CG1 4.34Å; V555-F602 HydrophobicContact CG1-CB 4.48Å |
| 556 | P | 97.9 | Very high | 96 | Very high | 33 Ų | 33 | 57.6 Ų | 57.6 | 21% | 0.214 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -55.9 | -44.6 | 171.8 | -27.2 | 34.8 | 0 | 0 | 0 | 113.7 | K552 E553 L558 K559 S560 I595 V598 | K552-P556 VanDerWaalsContact O-CD 3.32Å; K552-P556 WeakPolarHBondContact O-CD 3.34Å; E553-P556 WeakPolarHBondContact O-CD 3.44Å; P556-L558 PolarHBondContact O-N 3.14Å; P556-K559 PolarHBondContact O-N 3.42Å; P556-S560 PolarHBondContact O-N 3.35Å; P556-S560 PolarHBondContact O-OG 2.93Å; P556-I595 HydrophobicContact CG-CD1 3.51Å; P556-V598 HydrophobicContact CG-CG1 4.43Å |
| 557 | A | 97.6 | Very high | 95.8 | Very high | 23 Ų | 23 | 59 Ų | 59 | 19% | 0.19 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.2 | -39.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I517 E553 I554 V555 S560 A561 | I517-A557 HydrophobicContact CD1-CB 4.18Å; I517-A557 HydrophobicContact CG1-CB 4.3Å; I517-A557 HydrophobicContact CG2-CB 3.98Å; E553-A557 WeakPolarHBondContact O-CB 3.38Å; E553-A557 PolarHBondContact O-N 2.99Å; I554-A557 PolarHBondContact O-N 3.32Å; V555-A557 PolarHBondContact O-N 2.74Å; A557-S560 PolarHBondContact O-OG 3.27Å; A557-A561 VanDerWaalsContact O-CB 3.25Å; A557-A561 WeakPolarHBondContact O-CB 3.19Å; A557-A561 PolarHBondContact O-N 2.99Å |
| 558 | L | 97.2 | Very high | 95.6 | Very high | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.4 | -39.6 | 174.4 | -67.8 | 171.7 | 0 | 0 | 0 | 112 | Q524 I528 I554 V555 P556 N562 K563 F564 I572 | Q524-L558 HydrophobicContact CG-CD2 4.48Å; Q524-L558 VanDerWaalsContact NE2-CD2 3.31Å; I528-L558 HydrophobicContact CD1-CD1 3.69Å; I528-L558 HydrophobicContact CD1-CD2 4.33Å; I528-L558 HydrophobicContact CG1-CD1 4.43Å; I554-L558 HydrophobicContact CG2-CD1 3.9Å; I554-L558 HydrophobicContact CG2-CG 4.48Å; I554-L558 VanDerWaalsContact O-CG 3.23Å; I554-L558 WeakPolarHBondContact O-CG 3.23Å; I554-L558 PolarHBondContact O-N 3.3Å; V555-L558 PolarHBondContact O-N 2.77Å; P556-L558 PolarHBondContact O-N 3.14Å; L558-N562 PolarHBondContact O-N 2.89Å; L558-K563 HydrophobicContact CB-CB 4.31Å; L558-K563 HydrophobicContact CD2-CB 4.02Å; L558-K563 HydrophobicContact CD2-CG 3.97Å; L558-K563 WeakPolarHBondContact O-CB 3.46Å; L558-K563 PolarHBondContact O-N 3.27Å; L558-F564 HydrophobicContact CB-CE1 4.02Å; L558-F564 HydrophobicContact CB-CE2 3.98Å; L558-F564 HydrophobicContact CB-CZ 3.5Å; L558-F564 VanDerWaalsContact CB-CZ 3.5Å; L558-F564 HydrophobicContact CD1-CE1 4.26Å; L558-F564 HydrophobicContact CD1-CZ 4.19Å; L558-I572 HydrophobicContact CD1-CG2 4.07Å; L558-I572 HydrophobicContact CD2-CG2 4.2Å |
| 559 | K | 96 | Very high | 95.6 | Very high | 96 Ų | 96 | 60.2 Ų | 60.2 | 42% | 0.417 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.6 | -50.5 | 176.7 | -167.6 | 172.7 | -179.3 | 174.5 | 0 | 110.7 | V555 P556 A561 N562 F564 E601 | V555-K559 PolarHBondContact O-N 3.3Å; P556-K559 PolarHBondContact O-N 3.42Å; K559-A561 VanDerWaalsContact C-N 3.32Å; K559-A561 PolarHBondContact O-N 3.34Å; K559-N562 PolarHBondContact O-N 3.1Å; K559-F564 HydrophobicContact CB-CD2 4.41Å; K559-F564 HydrophobicContact CB-CE2 3.91Å; K559-E601 IonicContact NZ-OE2 2.69Å; K559-E601 PolarHBondContact NZ-OE2 3.14Å |
| 560 | S | 96.1 | Very high | 95.6 | Very high | 93 Ų | 93 | 57.9 Ų | 57.9 | 65% | 0.65 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -64.2 | -36 | -178.9 | 66.8 | 0 | 0 | 0 | 0 | 112.5 | P556 A557 N562 | P556-S560 PolarHBondContact O-N 3.35Å; P556-S560 PolarHBondContact O-OG 2.93Å; A557-S560 PolarHBondContact O-OG 3.27Å; S560-N562 PolarHBondContact O-N 2.97Å |
| 561 | A | 95.1 | Very high | 95.6 | Very high | 53 Ų | 53 | 56.2 Ų | 56.2 | 44% | 0.438 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | 8.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | A557 K559 K563 | A557-A561 VanDerWaalsContact O-CB 3.25Å; A557-A561 WeakPolarHBondContact O-CB 3.19Å; A557-A561 PolarHBondContact O-N 2.99Å; K559-A561 VanDerWaalsContact C-N 3.32Å; K559-A561 PolarHBondContact O-N 3.34Å; A561-K563 HydrophobicContact CB-CD 4.43Å; A561-K563 HydrophobicContact CB-CG 3.85Å; A561-K563 PolarHBondContact O-N 2.94Å |
| 562 | N | 94.7 | Very high | 95.6 | Very high | 86 Ų | 86 | 56.2 Ų | 56.2 | 46% | 0.46 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 32.4 | -180 | -70.5 | -75.6 | 0 | 0 | 0 | 114.3 | L558 K559 S560 F564 R565 | L558-N562 PolarHBondContact O-N 2.89Å; K559-N562 PolarHBondContact O-N 3.1Å; S560-N562 PolarHBondContact O-N 2.97Å; N562-F564 PolarHBondContact O-N 3.44Å; N562-R565 VanDerWaalsContact OD1-CZ 3.28Å; N562-R565 PolarHBondContact OD1-NE 3.31Å; N562-R565 PolarHBondContact OD1-NH2 2.89Å |
| 563 | K | 95.6 | Very high | 95.7 | Very high | 86 Ų | 86 | 56 Ų | 56 | 37% | 0.374 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -11.4 | -173.3 | -63.3 | -68.1 | -178.8 | 171.4 | 0 | 114.4 | L558 A561 G569 I572 | L558-K563 HydrophobicContact CB-CB 4.31Å; L558-K563 HydrophobicContact CD2-CB 4.02Å; L558-K563 HydrophobicContact CD2-CG 3.97Å; L558-K563 WeakPolarHBondContact O-CB 3.46Å; L558-K563 PolarHBondContact O-N 3.27Å; A561-K563 HydrophobicContact CB-CD 4.43Å; A561-K563 HydrophobicContact CB-CG 3.85Å; A561-K563 PolarHBondContact O-N 2.94Å; K563-G569 VanDerWaalsContact O-CA 3.25Å; K563-G569 WeakPolarHBondContact O-CA 3.41Å; K563-I572 HydrophobicContact CB-CG2 4.36Å |
| 564 | F | 96.1 | Very high | 95.7 | Very high | 21 Ų | 21 | 52.6 Ų | 52.6 | 9% | 0.092 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 9.9 | -178.6 | -55.3 | -55.3 | 0 | 0 | 0 | 114.8 | V555 L558 K559 N562 I572 R573 T576 F602 | V555-F564 HydrophobicContact CG1-CZ 4.35Å; L558-F564 HydrophobicContact CB-CE1 4.02Å; L558-F564 HydrophobicContact CB-CE2 3.98Å; L558-F564 HydrophobicContact CB-CZ 3.5Å; L558-F564 VanDerWaalsContact CB-CZ 3.5Å; L558-F564 HydrophobicContact CD1-CE1 4.26Å; L558-F564 HydrophobicContact CD1-CZ 4.19Å; K559-F564 HydrophobicContact CB-CD2 4.41Å; K559-F564 HydrophobicContact CB-CE2 3.91Å; N562-F564 PolarHBondContact O-N 3.44Å; F564-I572 HydrophobicContact CD1-CG2 3.84Å; F564-I572 HydrophobicContact CE1-CG2 3.7Å; F564-R573 HydrophobicContact CB-CG 4.2Å; F564-R573 HydrophobicContact CD1-CG 3.93Å; F564-R573 HydrophobicContact CG-CG 4.42Å; F564-R573 PolarHBondContact O-NE 2.76Å; F564-R573 PolarHBondContact O-NH2 3.47Å; F564-R573 VanDerWaalsContact O-NH2 3.14Å; F564-T576 HydrophobicContact CE1-CG2 4.19Å; F564-T576 WeakPolarHBondContact CE1-OG1 3.42Å; F564-T576 HydrophobicContact CZ-CG2 4.2Å; F564-F602 HydrophobicContact CD1-CD2 4.44Å; F564-F602 AromaticContact CD1-CE2 3.73Å; F564-F602 HydrophobicContact CD1-CE2 3.73Å; F564-F602 HydrophobicContact CD2-CD2 4.34Å; F564-F602 HydrophobicContact CD2-CE2 4.41Å; F564-F602 HydrophobicContact CE1-CD2 4.07Å; F564-F602 AromaticContact CE1-CE2 3.47Å; F564-F602 HydrophobicContact CE1-CE2 3.47Å; F564-F602 VanDerWaalsContact CE1-CE2 3.47Å; F564-F602 HydrophobicContact CE1-CZ 4.31Å; F564-F602 AromaticContact CE2-CD2 3.97Å; F564-F602 HydrophobicContact CE2-CD2 3.97Å; F564-F602 HydrophobicContact CE2-CE2 4.19Å; F564-F602 HydrophobicContact CG-CE2 4.2Å; F564-F602 AromaticContact CZ-CD2 3.83Å; F564-F602 HydrophobicContact CZ-CD2 3.83Å; F564-F602 AromaticContact CZ-CE2 3.72Å; F564-F602 HydrophobicContact CZ-CE2 3.72Å |
| 565 | R | 92.7 | Very high | 95.7 | Very high | 183 Ų | 183 | 52.6 Ų | 52.6 | 69% | 0.691 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -98.5 | 145.3 | -178.1 | -64.2 | -174 | -178.4 | -177.6 | 1.6 | 112.5 | N562 G569 | N562-R565 VanDerWaalsContact OD1-CZ 3.28Å; N562-R565 PolarHBondContact OD1-NE 3.31Å; N562-R565 PolarHBondContact OD1-NH2 2.89Å; R565-G569 PolarHBondContact O-N 3.3Å |
| 566 | G | 91.9 | Very high | 95.7 | Very high | 58 Ų | 58 | 52.6 Ų | 52.6 | 60% | 0.598 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | 68.4 | -169.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | S568 G569 E570 | G566-S568 PolarHBondContact O-N 2.76Å; G566-G569 WeakPolarHBondContact O-CA 3.37Å; G566-G569 PolarHBondContact O-N 2.92Å; G566-E570 PolarHBondContact O-N 3.14Å |
| 567 | L | 89.2 | Confident | 95.8 | Very high | 146 Ų | 146 | 51 Ų | 51 | 76% | 0.764 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -56.3 | -44.6 | -179.9 | -83.1 | 139.7 | 0 | 0 | 0 | 112.7 | G569 E570 | L567-G569 PolarHBondContact O-N 3.41Å; L567-E570 WeakPolarHBondContact O-CB 3.47Å; L567-E570 PolarHBondContact O-N 3.28Å; L567-E570 VanDerWaalsContact O-N 3.1Å |
| 568 | S | 91.1 | Very high | 95.8 | Very high | 62 Ų | 62 | 50.5 Ų | 50.5 | 43% | 0.434 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.4 | -34.3 | 174.5 | -54.2 | 0 | 0 | 0 | 0 | 112.1 | L521 G566 E570 L571 I572 | L521-S568 WeakPolarHBondContact CD2-OG 3.23Å; G566-S568 PolarHBondContact O-N 2.76Å; S568-E570 VanDerWaalsContact C-N 3.3Å; S568-E570 PolarHBondContact O-N 3.47Å; S568-L571 PolarHBondContact O-N 2.7Å; S568-I572 PolarHBondContact O-N 2.78Å |
| 569 | G | 95.9 | Very high | 95.9 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.8 | -27.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.9 | K563 R565 G566 L567 I572 R573 | K563-G569 VanDerWaalsContact O-CA 3.25Å; K563-G569 WeakPolarHBondContact O-CA 3.41Å; R565-G569 PolarHBondContact O-N 3.3Å; G566-G569 WeakPolarHBondContact O-CA 3.37Å; G566-G569 PolarHBondContact O-N 2.92Å; L567-G569 PolarHBondContact O-N 3.41Å; G569-I572 PolarHBondContact O-N 3.29Å; G569-R573 VanDerWaalsContact O-CB 3.32Å; G569-R573 WeakPolarHBondContact O-CB 3.09Å; G569-R573 WeakPolarHBondContact O-CG 3.45Å; G569-R573 PolarHBondContact O-N 2.82Å |
| 570 | E | 96.4 | Very high | 96 | Very high | 53 Ų | 53 | 45.8 Ų | 45.8 | 25% | 0.248 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 175.8 | -55.8 | -172.9 | 157.8 | 0 | 0 | 111.4 | G566 L567 S568 R573 K574 H609 N611 V614 | G566-E570 PolarHBondContact O-N 3.14Å; L567-E570 WeakPolarHBondContact O-CB 3.47Å; L567-E570 PolarHBondContact O-N 3.28Å; L567-E570 VanDerWaalsContact O-N 3.1Å; S568-E570 VanDerWaalsContact C-N 3.3Å; S568-E570 PolarHBondContact O-N 3.47Å; E570-R573 PolarHBondContact O-N 3.17Å; E570-K574 PolarHBondContact O-N 3.46Å; E570-H609 IonicContact OE1-CE1 2.65Å; E570-N611 PolarHBondContact OE2-ND2 3.5Å; E570-V614 HydrophobicContact CB-CG2 4Å; E570-V614 WeakPolarHBondContact O-CG2 3.31Å |
| 571 | L | 96.2 | Very high | 96.1 | Very high | 43 Ų | 43 | 42.7 Ų | 42.7 | 23% | 0.225 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.6 | -48.3 | 175.1 | -68.4 | 179.6 | 0 | 0 | 0 | 111.6 | L521 Q525 S568 K574 A575 | L521-L571 HydrophobicContact CD2-CD1 4.34Å; Q525-L571 HydrophobicContact CG-CB 4.36Å; Q525-L571 WeakPolarHBondContact CG-O 3.38Å; Q525-L571 PolarHBondContact NE2-O 3.17Å; S568-L571 PolarHBondContact O-N 2.7Å; L571-K574 PolarHBondContact O-N 2.9Å; L571-A575 PolarHBondContact O-N 2.95Å; L571-A575 VanDerWaalsContact O-N 3.16Å |
| 572 | I | 98 | Very high | 96.3 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.4 | -37.4 | -179.3 | -61.1 | -58.8 | 0 | 0 | 0 | 111.1 | L521 Q524 Q525 I528 L558 K563 F564 S568 G569 A575 T576 | L521-I572 HydrophobicContact CD1-CD1 3.98Å; L521-I572 HydrophobicContact CD1-CG1 3.88Å; Q524-I572 HydrophobicContact CB-CD1 4.36Å; Q524-I572 HydrophobicContact CG-CD1 3.93Å; Q525-I572 HydrophobicContact CB-CD1 4Å; Q525-I572 HydrophobicContact CG-CD1 4.5Å; I528-I572 HydrophobicContact CD1-CD1 4.12Å; I528-I572 HydrophobicContact CD1-CG2 4.16Å; L558-I572 HydrophobicContact CD1-CG2 4.07Å; L558-I572 HydrophobicContact CD2-CG2 4.2Å; K563-I572 HydrophobicContact CB-CG2 4.36Å; F564-I572 HydrophobicContact CD1-CG2 3.84Å; F564-I572 HydrophobicContact CE1-CG2 3.7Å; S568-I572 PolarHBondContact O-N 2.78Å; G569-I572 PolarHBondContact O-N 3.29Å; I572-A575 PolarHBondContact O-N 3.43Å; I572-T576 VanDerWaalsContact O-CB 3.29Å; I572-T576 WeakPolarHBondContact O-CB 3.37Å; I572-T576 PolarHBondContact O-N 2.91Å; I572-T576 PolarHBondContact O-OG1 3.08Å |
| 573 | R | 98.2 | Very high | 96.4 | Very high | 37 Ų | 37 | 37.6 Ų | 37.6 | 14% | 0.14 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.8 | -47.4 | 174.8 | -78.9 | 175.6 | -175.7 | -81.3 | 0.5 | 111.5 | F564 G569 E570 A575 T576 A577 F602 C606 V614 | F564-R573 HydrophobicContact CB-CG 4.2Å; F564-R573 HydrophobicContact CD1-CG 3.93Å; F564-R573 HydrophobicContact CG-CG 4.42Å; F564-R573 PolarHBondContact O-NE 2.76Å; F564-R573 PolarHBondContact O-NH2 3.47Å; F564-R573 VanDerWaalsContact O-NH2 3.14Å; G569-R573 VanDerWaalsContact O-CB 3.32Å; G569-R573 WeakPolarHBondContact O-CB 3.09Å; G569-R573 WeakPolarHBondContact O-CG 3.45Å; G569-R573 PolarHBondContact O-N 2.82Å; E570-R573 PolarHBondContact O-N 3.17Å; R573-A575 VanDerWaalsContact C-N 3.32Å; R573-A575 PolarHBondContact O-N 3.16Å; R573-T576 PolarHBondContact O-N 3.39Å; R573-A577 PolarHBondContact O-N 3.21Å; R573-F602 HydrophobicContact CB-CE2 4.48Å; R573-F602 HydrophobicContact CB-CZ 4.2Å; R573-F602 HydrophobicContact CG-CE2 3.99Å; R573-F602 HydrophobicContact CG-CZ 4.2Å; R573-C606 PolarHBondContact NH1-SG 3.5Å; R573-V614 HydrophobicContact CB-CG1 3.83Å; R573-V614 HydrophobicContact CB-CG2 4.34Å |
| 574 | K | 97.6 | Very high | 96.5 | Very high | 27 Ų | 27 | 33.6 Ų | 33.6 | 12% | 0.117 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.5 | -46.4 | 177.8 | -165.4 | 173.4 | 70.2 | 179.2 | 0 | 111.9 | D483 Y529 E570 L571 H578 E613 A617 | D483-K574 IonicContact OD1-NZ 3.79Å; D483-K574 IonicContact OD2-NZ 2.68Å; D483-K574 PolarHBondContact OD2-NZ 3.32Å; Y529-K574 WeakPolarHBondContact OH-CE 3.38Å; Y529-K574 WeakPolarHBondContact OH-CG 3.4Å; E570-K574 PolarHBondContact O-N 3.46Å; L571-K574 PolarHBondContact O-N 2.9Å; K574-H578 PolarHBondContact O-N 3.4Å; K574-H578 VanDerWaalsContact O-N 3.17Å; K574-E613 HydrophobicContact CD-CB 3.91Å; K574-A617 HydrophobicContact CG-CB 3.7Å |
| 575 | A | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.7 | -38.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q525 I528 Y529 L571 I572 R573 H578 F579 | Q525-A575 HydrophobicContact CG-CB 3.57Å; I528-A575 HydrophobicContact CB-CB 3.98Å; I528-A575 HydrophobicContact CG2-CB 3.74Å; I528-A575 WeakPolarHBondContact CG2-O 3.39Å; Y529-A575 HydrophobicContact CD1-CB 4.18Å; Y529-A575 HydrophobicContact CD2-CB 3.97Å; Y529-A575 VanDerWaalsContact CE1-CA 3.48Å; Y529-A575 HydrophobicContact CE1-CB 3.96Å; Y529-A575 HydrophobicContact CE2-CB 3.74Å; Y529-A575 HydrophobicContact CG-CB 4.17Å; L571-A575 PolarHBondContact O-N 2.95Å; L571-A575 VanDerWaalsContact O-N 3.16Å; I572-A575 PolarHBondContact O-N 3.43Å; R573-A575 VanDerWaalsContact C-N 3.32Å; R573-A575 PolarHBondContact O-N 3.16Å; A575-H578 PolarHBondContact O-N 3.49Å; A575-F579 WeakPolarHBondContact O-CB 3.24Å; A575-F579 PolarHBondContact O-N 3.11Å |
| 576 | T | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.9 | -40.4 | -179.7 | -56.4 | 0 | 0 | 0 | 0 | 111.7 | V555 F564 I572 R573 F579 I580 F602 | V555-T576 HydrophobicContact CG1-CG2 4.17Å; V555-T576 HydrophobicContact CG2-CG2 3.76Å; F564-T576 HydrophobicContact CE1-CG2 4.19Å; F564-T576 WeakPolarHBondContact CE1-OG1 3.42Å; F564-T576 HydrophobicContact CZ-CG2 4.2Å; I572-T576 VanDerWaalsContact O-CB 3.29Å; I572-T576 WeakPolarHBondContact O-CB 3.37Å; I572-T576 PolarHBondContact O-N 2.91Å; I572-T576 PolarHBondContact O-OG1 3.08Å; R573-T576 PolarHBondContact O-N 3.39Å; T576-F579 WeakPolarHBondContact O-CB 3.47Å; T576-F579 PolarHBondContact O-N 3.02Å; T576-I580 HydrophobicContact CG2-CD1 4.18Å; T576-I580 WeakPolarHBondContact O-CG1 3.46Å; T576-I580 PolarHBondContact O-N 2.84Å; T576-F602 HydrophobicContact CG2-CD1 4.06Å; T576-F602 HydrophobicContact CG2-CD2 4.33Å; T576-F602 HydrophobicContact CG2-CE1 3.66Å; T576-F602 HydrophobicContact CG2-CE2 3.95Å; T576-F602 HydrophobicContact CG2-CG 4.4Å; T576-F602 HydrophobicContact CG2-CZ 3.61Å |
| 577 | A | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.3 | -46.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | R573 F579 I580 Q581 F602 L603 A617 A621 | R573-A577 PolarHBondContact O-N 3.21Å; A577-F579 VanDerWaalsContact C-N 3.35Å; A577-F579 PolarHBondContact O-N 3.26Å; A577-I580 PolarHBondContact O-N 3.12Å; A577-Q581 PolarHBondContact O-N 2.86Å; A577-F602 HydrophobicContact CB-CE1 4.24Å; A577-L603 HydrophobicContact CB-CD2 4.35Å; A577-A617 HydrophobicContact CB-CB 4.02Å; A577-A621 HydrophobicContact CB-CB 4.35Å; A577-A621 WeakPolarHBondContact O-CB 3.47Å |
| 578 | H | 98.6 | Very high | 97 | Very high | 12 Ų | 12 | 26.8 Ų | 26.8 | 6% | 0.056 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.3 | -41.2 | 174.5 | -176.6 | 100.6 | 0 | 0 | 0 | 112.6 | Y487 Y529 E533 K574 A575 Q581 K582 | Y487-H578 AromaticContact CE2-CE1 3.61Å; Y487-H578 AromaticContact CE2-ND1 3.74Å; Y529-H578 HydrophobicContact CD1-CB 3.78Å; Y529-H578 AromaticContact CD1-CD2 3.55Å; Y529-H578 AromaticContact CD1-CG 3.62Å; Y529-H578 HydrophobicContact CE1-CB 3.59Å; Y529-H578 AromaticContact CE1-CG 3.78Å; E533-H578 IonicContact OE1-CE1 3.95Å; E533-H578 PolarHBondContact OE1-CE1 3.46Å; E533-H578 IonicContact OE1-NE2 2.74Å; E533-H578 PolarHBondContact OE1-NE2 2.97Å; K574-H578 PolarHBondContact O-N 3.4Å; K574-H578 VanDerWaalsContact O-N 3.17Å; A575-H578 PolarHBondContact O-N 3.49Å; H578-Q581 WeakPolarHBondContact O-CB 3.32Å; H578-Q581 PolarHBondContact O-N 2.89Å; H578-K582 WeakPolarHBondContact NE2-CE 3.4Å; H578-K582 VanDerWaalsContact O-CG 3.24Å; H578-K582 WeakPolarHBondContact O-CG 3.27Å; H578-K582 PolarHBondContact O-N 3.44Å |
| 579 | F | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.5 | -48.2 | 175 | 165.2 | -98.1 | 0 | 0 | 0 | 111.5 | I528 T531 I551 I554 V555 A575 T576 A577 Q581 K582 C583 W599 | I528-F579 HydrophobicContact CG2-CB 3.69Å; I528-F579 HydrophobicContact CG2-CG 4.29Å; T531-F579 HydrophobicContact CG2-CD2 4.41Å; T531-F579 HydrophobicContact CG2-CE2 3.91Å; I551-F579 HydrophobicContact CG2-CE2 4.09Å; I551-F579 HydrophobicContact CG2-CZ 3.71Å; I554-F579 HydrophobicContact CB-CE1 4.5Å; I554-F579 HydrophobicContact CB-CZ 4.38Å; I554-F579 HydrophobicContact CD1-CE2 3.93Å; I554-F579 HydrophobicContact CD1-CZ 3.92Å; V555-F579 HydrophobicContact CG2-CD1 4.14Å; V555-F579 HydrophobicContact CG2-CE1 3.96Å; A575-F579 WeakPolarHBondContact O-CB 3.24Å; A575-F579 PolarHBondContact O-N 3.11Å; T576-F579 WeakPolarHBondContact O-CB 3.47Å; T576-F579 PolarHBondContact O-N 3.02Å; A577-F579 VanDerWaalsContact C-N 3.35Å; A577-F579 PolarHBondContact O-N 3.26Å; F579-Q581 VanDerWaalsContact C-N 3.33Å; F579-Q581 PolarHBondContact O-N 3.34Å; F579-K582 PolarHBondContact O-N 3.3Å; F579-K582 VanDerWaalsContact O-N 3.16Å; F579-C583 WeakPolarHBondContact CE2-SG 3.48Å; F579-C583 WeakPolarHBondContact CZ-SG 3.34Å; F579-C583 PolarHBondContact O-N 3.25Å; F579-C583 PolarHBondContact O-SG 2.83Å; F579-W599 HydrophobicContact CE1-CZ2 4.07Å |
| 580 | I | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.4 | -44 | 176.5 | -67.6 | 165.1 | 0 | 0 | 0 | 110.7 | T576 A577 K582 C583 A584 W599 F602 L603 F625 | T576-I580 HydrophobicContact CG2-CD1 4.18Å; T576-I580 WeakPolarHBondContact O-CG1 3.46Å; T576-I580 PolarHBondContact O-N 2.84Å; A577-I580 PolarHBondContact O-N 3.12Å; I580-K582 VanDerWaalsContact C-N 3.29Å; I580-K582 PolarHBondContact O-N 3.18Å; I580-C583 PolarHBondContact O-N 3.18Å; I580-A584 WeakPolarHBondContact O-CB 3.37Å; I580-A584 PolarHBondContact O-N 3.22Å; I580-W599 HydrophobicContact CD1-CB 3.97Å; I580-W599 HydrophobicContact CD1-CG 4.01Å; I580-W599 HydrophobicContact CG1-CB 4.33Å; I580-W599 HydrophobicContact CG1-CD2 3.98Å; I580-W599 HydrophobicContact CG1-CE3 4.34Å; I580-W599 HydrophobicContact CG1-CG 3.98Å; I580-W599 HydrophobicContact CG2-CB 4.4Å; I580-W599 HydrophobicContact CG2-CD2 4.37Å; I580-W599 HydrophobicContact CG2-CE3 4Å; I580-F602 HydrophobicContact CD1-CD1 3.5Å; I580-F602 HydrophobicContact CD1-CE1 4.01Å; I580-F602 HydrophobicContact CD1-CG 4.39Å; I580-L603 HydrophobicContact CD1-CD2 4.28Å; I580-L603 HydrophobicContact CD1-CG 4.32Å; I580-L603 HydrophobicContact CG2-CD1 4.09Å; I580-F625 HydrophobicContact CG2-CD2 4Å |
| 581 | Q | 98.4 | Very high | 96.9 | Very high | 28 Ų | 28 | 27.4 Ų | 27.4 | 13% | 0.131 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -52.5 | -50.3 | 174.6 | -174.1 | -177.9 | -3.3 | 0 | 0 | 111.1 | A577 H578 F579 A584 M585 A621 H624 | A577-Q581 PolarHBondContact O-N 2.86Å; H578-Q581 WeakPolarHBondContact O-CB 3.32Å; H578-Q581 PolarHBondContact O-N 2.89Å; F579-Q581 VanDerWaalsContact C-N 3.33Å; F579-Q581 PolarHBondContact O-N 3.34Å; Q581-A584 PolarHBondContact O-N 3.48Å; Q581-M585 HydrophobicContact CG-SD 4.07Å; Q581-M585 VanDerWaalsContact O-CG 3.27Å; Q581-M585 WeakPolarHBondContact O-CG 3.12Å; Q581-M585 PolarHBondContact O-N 3.1Å; Q581-A621 HydrophobicContact CB-CB 3.74Å; Q581-A621 HydrophobicContact CG-CB 4.47Å; Q581-H624 HydrophobicContact CG-CB 4.19Å; Q581-H624 PolarHBondContact NE2-CE1 2.87Å |
| 582 | K | 98.1 | Very high | 96.5 | Very high | 31 Ų | 31 | 30.4 Ų | 30.4 | 14% | 0.135 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -70 | -37.5 | -175.9 | -67.5 | -71.9 | 170.5 | 156.8 | 0 | 112.7 | G532 E533 C536 H578 F579 I580 M585 A586 | G532-K582 VanDerWaalsContact O-CB 3.26Å; G532-K582 WeakPolarHBondContact O-CB 3.45Å; E533-K582 WeakPolarHBondContact OE1-CE 3.29Å; E533-K582 IonicContact OE1-NZ 3.43Å; E533-K582 PolarHBondContact OE1-NZ 3.06Å; E533-K582 WeakPolarHBondContact OE2-CE 3.49Å; E533-K582 IonicContact OE2-NZ 3.24Å; E533-K582 PolarHBondContact OE2-NZ 2.89Å; C536-K582 HydrophobicContact CB-CB 4Å; C536-K582 HydrophobicContact CB-CD 3.8Å; C536-K582 HydrophobicContact CB-CG 4.48Å; H578-K582 WeakPolarHBondContact NE2-CE 3.4Å; H578-K582 VanDerWaalsContact O-CG 3.24Å; H578-K582 WeakPolarHBondContact O-CG 3.27Å; H578-K582 PolarHBondContact O-N 3.44Å; F579-K582 PolarHBondContact O-N 3.3Å; F579-K582 VanDerWaalsContact O-N 3.16Å; I580-K582 VanDerWaalsContact C-N 3.29Å; I580-K582 PolarHBondContact O-N 3.18Å; K582-M585 HydrophobicContact CD-SD 4.27Å; K582-M585 PolarHBondContact O-N 3.46Å; K582-A586 WeakPolarHBondContact O-CB 3.37Å; K582-A586 PolarHBondContact O-N 3.39Å |
| 583 | C | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62 | -42.3 | 171.6 | -71.4 | 0 | 0 | 0 | 0 | 112.1 | F579 I580 A586 K587 L588 W599 | F579-C583 WeakPolarHBondContact CE2-SG 3.48Å; F579-C583 WeakPolarHBondContact CZ-SG 3.34Å; F579-C583 PolarHBondContact O-N 3.25Å; F579-C583 PolarHBondContact O-SG 2.83Å; I580-C583 PolarHBondContact O-N 3.18Å; C583-A586 PolarHBondContact O-N 3.19Å; C583-K587 PolarHBondContact O-N 3.29Å; C583-L588 HydrophobicContact CB-CD1 3.79Å; C583-L588 HydrophobicContact CB-CG 4.29Å; C583-L588 PolarHBondContact O-N 3.09Å; C583-W599 HydrophobicContact CB-CH2 3.66Å; C583-W599 HydrophobicContact CB-CZ3 3.83Å |
| 584 | A | 97 | Very high | 96.2 | Very high | 3 Ų | 3 | 35.2 Ų | 35.2 | 3% | 0.025 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.2 | -41.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I580 Q581 A586 K587 H624 A628 Y629 | I580-A584 WeakPolarHBondContact O-CB 3.37Å; I580-A584 PolarHBondContact O-N 3.22Å; Q581-A584 PolarHBondContact O-N 3.48Å; A584-A586 VanDerWaalsContact C-N 3.28Å; A584-A586 PolarHBondContact O-N 3.28Å; A584-K587 WeakPolarHBondContact O-CA 3.38Å; A584-K587 PolarHBondContact O-N 3.3Å; A584-H624 HydrophobicContact CB-CB 4.24Å; A584-A628 HydrophobicContact CB-CB 4.08Å; A584-Y629 HydrophobicContact CB-CE2 3.91Å |
| 585 | M | 96.5 | Very high | 96.2 | Very high | 81 Ų | 81 | 34.3 Ų | 34.3 | 40% | 0.399 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.6 | -37.3 | 172.9 | -71.8 | 174.3 | 72.8 | 0 | 0 | 112.4 | Q581 K582 K587 H624 | Q581-M585 HydrophobicContact CG-SD 4.07Å; Q581-M585 VanDerWaalsContact O-CG 3.27Å; Q581-M585 WeakPolarHBondContact O-CG 3.12Å; Q581-M585 PolarHBondContact O-N 3.1Å; K582-M585 HydrophobicContact CD-SD 4.27Å; K582-M585 PolarHBondContact O-N 3.46Å; M585-K587 PolarHBondContact O-N 3.01Å; M585-H624 HydrophobicContact CG-CB 4.24Å; M585-H624 WeakPolarHBondContact CG-CD2 3.21Å |
| 586 | A | 95.4 | Very high | 96.1 | Very high | 18 Ų | 18 | 34.9 Ų | 34.9 | 15% | 0.149 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -7.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | V535 K582 C583 A584 L588 | V535-A586 HydrophobicContact CG1-CB 3.95Å; K582-A586 WeakPolarHBondContact O-CB 3.37Å; K582-A586 PolarHBondContact O-N 3.39Å; C583-A586 PolarHBondContact O-N 3.19Å; A584-A586 VanDerWaalsContact C-N 3.28Å; A584-A586 PolarHBondContact O-N 3.28Å; A586-L588 VanDerWaalsContact C-N 3.27Å; A586-L588 HydrophobicContact CB-CD2 4.32Å; A586-L588 HydrophobicContact CB-CG 4.35Å; A586-L588 PolarHBondContact O-N 3.25Å |
| 587 | K | 93.2 | Very high | 96 | Very high | 156 Ų | 156 | 37.8 Ų | 37.8 | 68% | 0.678 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 45.4 | -174.9 | -58 | -177.7 | 179 | -175.7 | 0 | 112.3 | C583 A584 M585 | C583-K587 PolarHBondContact O-N 3.29Å; A584-K587 WeakPolarHBondContact O-CA 3.38Å; A584-K587 PolarHBondContact O-N 3.3Å; M585-K587 PolarHBondContact O-N 3.01Å |
| 588 | L | 94.8 | Very high | 95.9 | Very high | 10 Ų | 10 | 39.5 Ų | 39.5 | 5% | 0.052 | 21% | 0.209 | C | C | . | . | trans | -53 | 139.6 | 178.2 | -70.6 | -171.4 | 0 | 0 | 0 | 110.5 | V535 I543 L548 I551 C583 A586 F590 Y629 | V535-L588 HydrophobicContact CG1-CD1 4.02Å; V535-L588 HydrophobicContact CG1-CD2 3.85Å; V535-L588 HydrophobicContact CG1-CG 4.13Å; I543-L588 HydrophobicContact CD1-CD2 3.96Å; L548-L588 HydrophobicContact CD1-CD1 4.49Å; L548-L588 HydrophobicContact CD1-CD2 4.22Å; I551-L588 HydrophobicContact CG2-CD1 3.87Å; C583-L588 HydrophobicContact CB-CD1 3.79Å; C583-L588 HydrophobicContact CB-CG 4.29Å; C583-L588 PolarHBondContact O-N 3.09Å; A586-L588 VanDerWaalsContact C-N 3.27Å; A586-L588 HydrophobicContact CB-CD2 4.32Å; A586-L588 HydrophobicContact CB-CG 4.35Å; A586-L588 PolarHBondContact O-N 3.25Å; L588-F590 HydrophobicContact CB-CD2 3.74Å; L588-F590 HydrophobicContact CB-CE2 3.76Å; L588-F590 HydrophobicContact CB-CG 4.49Å; L588-F590 HydrophobicContact CB-CZ 4.5Å; L588-F590 HydrophobicContact CD1-CD2 4.24Å; L588-F590 HydrophobicContact CD1-CE2 3.51Å; L588-F590 HydrophobicContact CD1-CZ 4.22Å; L588-F590 HydrophobicContact CG-CE2 4.31Å; L588-F590 PolarHBondContact O-N 3.01Å; L588-Y629 PolarHBondContact O-OH 3.46Å | ||
| 589 | P | 93.5 | Very high | 95.9 | Very high | 77 Ų | 77 | 39 Ų | 39 | 50% | 0.5 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -78.6 | 57.1 | -168.4 | 34.7 | -39 | 0 | 0 | 0 | 112.4 | L548 | L548-P589 HydrophobicContact CD1-CG 4.48Å; L548-P589 HydrophobicContact CD2-CG 3.9Å |
| 590 | F | 94.7 | Very high | 95.8 | Very high | 8 Ų | 8 | 40.8 Ų | 40.8 | 4% | 0.035 | 21% | 0.213 | C | C | . | . | trans | -106.1 | 15.8 | 177.7 | -58.6 | -42.3 | 0 | 0 | 0 | 112.6 | L548 K552 L588 D592 D593 I595 I596 W599 Y629 | L548-F590 HydrophobicContact CD1-CE1 3.76Å; L548-F590 HydrophobicContact CD1-CE2 4.3Å; L548-F590 HydrophobicContact CD1-CZ 3.44Å; L548-F590 VanDerWaalsContact CD1-CZ 3.44Å; L548-F590 HydrophobicContact CD2-CE1 4.2Å; L548-F590 HydrophobicContact CG-CE1 3.72Å; L548-F590 HydrophobicContact CG-CZ 3.81Å; K552-F590 HydrophobicContact CB-CE1 4.06Å; K552-F590 HydrophobicContact CB-CZ 3.86Å; K552-F590 HydrophobicContact CD-CE1 4.35Å; K552-F590 HydrophobicContact CG-CE1 4.39Å; L588-F590 HydrophobicContact CB-CD2 3.74Å; L588-F590 HydrophobicContact CB-CE2 3.76Å; L588-F590 HydrophobicContact CB-CG 4.49Å; L588-F590 HydrophobicContact CB-CZ 4.5Å; L588-F590 HydrophobicContact CD1-CD2 4.24Å; L588-F590 HydrophobicContact CD1-CE2 3.51Å; L588-F590 HydrophobicContact CD1-CZ 4.22Å; L588-F590 HydrophobicContact CG-CE2 4.31Å; L588-F590 PolarHBondContact O-N 3.01Å; F590-D592 PolarHBondContact O-N 2.95Å; F590-D593 HydrophobicContact CB-CB 4.23Å; F590-D593 WeakPolarHBondContact O-CB 3.37Å; F590-D593 PolarHBondContact O-N 3.28Å; F590-D593 VanDerWaalsContact O-N 3.1Å; F590-I595 HydrophobicContact CB-CG2 3.86Å; F590-I595 HydrophobicContact CD2-CG2 4.44Å; F590-I595 HydrophobicContact CG-CG2 4.07Å; F590-I596 HydrophobicContact CB-CD1 3.86Å; F590-I596 HydrophobicContact CB-CG1 4.44Å; F590-I596 WeakPolarHBondContact O-CG1 3.37Å; F590-W599 AromaticContact CD2-CH2 3.65Å; F590-W599 HydrophobicContact CD2-CH2 3.65Å; F590-W599 HydrophobicContact CD2-CZ2 4.31Å; F590-W599 HydrophobicContact CD2-CZ3 4.21Å; F590-W599 AromaticContact CE2-CH2 3.8Å; F590-W599 HydrophobicContact CE2-CH2 3.8Å; F590-W599 HydrophobicContact CE2-CZ2 4.26Å; F590-Y629 HydrophobicContact CB-CE1 4.46Å | ||
| 591 | H | 93.1 | Very high | 95.7 | Very high | 44 Ų | 44 | 44.6 Ų | 44.6 | 20% | 0.204 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 137.1 | 170.4 | -50.2 | 84.5 | 0 | 0 | 0 | 109.3 | D593 R633 | H591-D593 PolarHBondContact O-N 2.86Å; H591-R633 HydrophobicContact CB-CB 3.91Å |
| 592 | D | 88.7 | Confident | 95.7 | Very high | 106 Ų | 106 | 43.7 Ų | 43.7 | 57% | 0.567 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | 2.8 | -177.9 | -43.2 | -49.9 | 0 | 0 | 0 | 115.6 | F590 | F590-D592 PolarHBondContact O-N 2.95Š|
| 593 | D | 94.3 | Very high | 95.7 | Very high | 41 Ų | 41 | 42.2 Ų | 42.2 | 22% | 0.219 | 22% | 0.221 | C | C | . | . | trans | -83.6 | 137.3 | 178.6 | -167.7 | -66.3 | 0 | 0 | 0 | 111.2 | K552 F590 H591 I595 I596 | K552-D593 WeakPolarHBondContact CE-OD1 3.37Å; K552-D593 WeakPolarHBondContact CE-OD2 3.14Å; K552-D593 IonicContact NZ-OD1 3.09Å; K552-D593 PolarHBondContact NZ-OD1 3.04Å; K552-D593 IonicContact NZ-OD2 2.74Å; K552-D593 PolarHBondContact NZ-OD2 3.34Å; F590-D593 HydrophobicContact CB-CB 4.23Å; F590-D593 WeakPolarHBondContact O-CB 3.37Å; F590-D593 PolarHBondContact O-N 3.28Å; F590-D593 VanDerWaalsContact O-N 3.1Å; H591-D593 PolarHBondContact O-N 2.86Å; D593-I595 HydrophobicContact CB-CG2 3.89Å; D593-I595 PolarHBondContact O-N 3.33Å; D593-I595 WeakPolarHBondContact OD1-CB 3.22Å; D593-I595 VanDerWaalsContact OD1-CG2 3.24Å; D593-I595 WeakPolarHBondContact OD1-CG2 3.36Å; D593-I595 PolarHBondContact OD1-N 3.34Å; D593-I596 WeakPolarHBondContact O-CB 3.43Å; D593-I596 WeakPolarHBondContact O-CG1 3.43Å; D593-I596 PolarHBondContact O-N 3.32Å | ||
| 594 | P | 95.5 | Very high | 95.7 | Very high | 98 Ų | 98 | 43.5 Ų | 43.5 | 64% | 0.636 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -21.1 | 176.8 | -27.8 | 34.9 | 0 | 0 | 0 | 115.2 | I596 E597 V598 | P594-I596 PolarHBondContact O-N 3.28Å; P594-E597 PolarHBondContact O-N 3.41Å; P594-V598 PolarHBondContact O-N 3.32Å |
| 595 | I | 96.8 | Very high | 95.6 | Very high | 7 Ų | 7 | 48.5 Ų | 48.5 | 4% | 0.036 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.1 | -29.8 | 175.8 | -167.7 | 64.3 | 0 | 0 | 0 | 113 | K552 P556 F590 D593 E597 V598 W599 | K552-I595 HydrophobicContact CG-CB 3.98Å; K552-I595 HydrophobicContact CG-CD1 4.19Å; K552-I595 HydrophobicContact CG-CG1 3.85Å; K552-I595 HydrophobicContact CG-CG2 4.2Å; K552-I595 VanDerWaalsContact O-CD1 3.27Å; K552-I595 WeakPolarHBondContact O-CD1 3.07Å; P556-I595 HydrophobicContact CG-CD1 3.51Å; F590-I595 HydrophobicContact CB-CG2 3.86Å; F590-I595 HydrophobicContact CD2-CG2 4.44Å; F590-I595 HydrophobicContact CG-CG2 4.07Å; D593-I595 HydrophobicContact CB-CG2 3.89Å; D593-I595 PolarHBondContact O-N 3.33Å; D593-I595 WeakPolarHBondContact OD1-CB 3.22Å; D593-I595 VanDerWaalsContact OD1-CG2 3.24Å; D593-I595 WeakPolarHBondContact OD1-CG2 3.36Å; D593-I595 PolarHBondContact OD1-N 3.34Å; I595-E597 VanDerWaalsContact C-N 3.27Å; I595-E597 PolarHBondContact O-N 3.18Å; I595-V598 HydrophobicContact CD1-CB 4.18Å; I595-V598 HydrophobicContact CD1-CG1 4.44Å; I595-V598 WeakPolarHBondContact O-CB 3.11Å; I595-V598 PolarHBondContact O-N 3.17Å; I595-V598 VanDerWaalsContact O-N 3.09Å; I595-W599 HydrophobicContact CG1-CD2 4.35Å; I595-W599 HydrophobicContact CG1-CG 4.43Å; I595-W599 HydrophobicContact CG1-CZ2 4.18Å; I595-W599 PolarHBondContact O-N 3.32Å |
| 596 | I | 96.6 | Very high | 95.6 | Very high | 12 Ų | 12 | 44.6 Ų | 44.6 | 6% | 0.062 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.9 | -40 | 179.1 | -62.1 | -51.9 | 0 | 0 | 0 | 110.5 | F590 D593 P594 W599 R600 F625 Y629 | F590-I596 HydrophobicContact CB-CD1 3.86Å; F590-I596 HydrophobicContact CB-CG1 4.44Å; F590-I596 WeakPolarHBondContact O-CG1 3.37Å; D593-I596 WeakPolarHBondContact O-CB 3.43Å; D593-I596 WeakPolarHBondContact O-CG1 3.43Å; D593-I596 PolarHBondContact O-N 3.32Å; P594-I596 PolarHBondContact O-N 3.28Å; I596-W599 HydrophobicContact CD1-CE3 4.35Å; I596-W599 PolarHBondContact O-N 3.48Å; I596-R600 WeakPolarHBondContact O-CB 3.43Å; I596-R600 PolarHBondContact O-N 3.47Å; I596-F625 HydrophobicContact CG2-CE2 3.93Å; I596-F625 HydrophobicContact CG2-CZ 3.55Å; I596-F625 WeakPolarHBondContact O-CZ 3.38Å; I596-Y629 HydrophobicContact CD1-CD1 3.52Å; I596-Y629 HydrophobicContact CD1-CD2 3.81Å; I596-Y629 HydrophobicContact CD1-CE1 3.58Å; I596-Y629 HydrophobicContact CD1-CE2 3.85Å; I596-Y629 HydrophobicContact CD1-CG 3.64Å; I596-Y629 HydrophobicContact CG1-CD1 4.19Å; I596-Y629 HydrophobicContact CG1-CG 4.33Å; I596-Y629 HydrophobicContact CG2-CG 4.27Å |
| 597 | E | 96.6 | Very high | 95.7 | Very high | 61 Ų | 61 | 43.8 Ų | 43.8 | 29% | 0.285 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -67.3 | -38.6 | 174.5 | -72.9 | -53.1 | 108.5 | 0 | 0 | 112.5 | P594 I595 W599 R600 E601 Y641 | P594-E597 PolarHBondContact O-N 3.41Å; I595-E597 VanDerWaalsContact C-N 3.27Å; I595-E597 PolarHBondContact O-N 3.18Å; E597-W599 VanDerWaalsContact C-N 3.32Å; E597-W599 PolarHBondContact O-N 3Å; E597-R600 PolarHBondContact O-N 2.99Å; E597-R600 IonicContact OE1-NE 2.86Å; E597-R600 IonicContact OE2-CZ 2.79Å; E597-R600 VanDerWaalsContact OE2-CZ 3.24Å; E597-R600 IonicContact OE2-NE 3.03Å; E597-R600 PolarHBondContact OE2-NE 2.74Å; E597-R600 IonicContact OE2-NH2 3.71Å; E597-R600 PolarHBondContact OE2-NH2 3.35Å; E597-E601 WeakPolarHBondContact O-CB 3.35Å; E597-E601 WeakPolarHBondContact O-CG 3.5Å; E597-E601 PolarHBondContact O-N 3.41Å; E597-Y641 WeakPolarHBondContact OE1-CE2 3.24Å; E597-Y641 PolarHBondContact OE1-OH 3.42Å |
| 598 | V | 97.6 | Very high | 95.6 | Very high | 37 Ų | 37 | 37.1 Ų | 37.1 | 22% | 0.224 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.1 | -41.2 | 176 | 178.8 | 0 | 0 | 0 | 0 | 111.1 | V555 P556 P594 I595 F602 | V555-V598 HydrophobicContact CG1-CG1 4.34Å; P556-V598 HydrophobicContact CG-CG1 4.43Å; P594-V598 PolarHBondContact O-N 3.32Å; I595-V598 HydrophobicContact CD1-CB 4.18Å; I595-V598 HydrophobicContact CD1-CG1 4.44Å; I595-V598 WeakPolarHBondContact O-CB 3.11Å; I595-V598 PolarHBondContact O-N 3.17Å; I595-V598 VanDerWaalsContact O-N 3.09Å; V598-F602 WeakPolarHBondContact O-CB 3.29Å; V598-F602 PolarHBondContact O-N 3.34Å; V598-F602 VanDerWaalsContact O-N 3.12Å |
| 599 | W | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.9 | -43.7 | 176.5 | -71.8 | 5.9 | 0 | 0 | 0 | 111.5 | F579 I580 C583 F590 I595 I596 E597 F602 L603 F625 Y629 | F579-W599 HydrophobicContact CE1-CZ2 4.07Å; I580-W599 HydrophobicContact CD1-CB 3.97Å; I580-W599 HydrophobicContact CD1-CG 4.01Å; I580-W599 HydrophobicContact CG1-CB 4.33Å; I580-W599 HydrophobicContact CG1-CD2 3.98Å; I580-W599 HydrophobicContact CG1-CE3 4.34Å; I580-W599 HydrophobicContact CG1-CG 3.98Å; I580-W599 HydrophobicContact CG2-CB 4.4Å; I580-W599 HydrophobicContact CG2-CD2 4.37Å; I580-W599 HydrophobicContact CG2-CE3 4Å; C583-W599 HydrophobicContact CB-CH2 3.66Å; C583-W599 HydrophobicContact CB-CZ3 3.83Å; F590-W599 AromaticContact CD2-CH2 3.65Å; F590-W599 HydrophobicContact CD2-CH2 3.65Å; F590-W599 HydrophobicContact CD2-CZ2 4.31Å; F590-W599 HydrophobicContact CD2-CZ3 4.21Å; F590-W599 AromaticContact CE2-CH2 3.8Å; F590-W599 HydrophobicContact CE2-CH2 3.8Å; F590-W599 HydrophobicContact CE2-CZ2 4.26Å; I595-W599 HydrophobicContact CG1-CD2 4.35Å; I595-W599 HydrophobicContact CG1-CG 4.43Å; I595-W599 HydrophobicContact CG1-CZ2 4.18Å; I595-W599 PolarHBondContact O-N 3.32Å; I596-W599 HydrophobicContact CD1-CE3 4.35Å; I596-W599 PolarHBondContact O-N 3.48Å; E597-W599 VanDerWaalsContact C-N 3.32Å; E597-W599 PolarHBondContact O-N 3Å; W599-F602 WeakPolarHBondContact O-CB 3.24Å; W599-F602 PolarHBondContact O-N 2.93Å; W599-L603 WeakPolarHBondContact O-CG 3.47Å; W599-L603 PolarHBondContact O-N 3.05Å; W599-F625 HydrophobicContact CB-CE2 3.96Å; W599-Y629 HydrophobicContact CE3-CE2 4.27Å; W599-Y629 HydrophobicContact CZ3-CE2 4.06Å |
| 600 | R | 97.1 | Very high | 95.5 | Very high | 38 Ų | 38 | 44 Ų | 44 | 14% | 0.143 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.8 | -52.6 | 174.6 | -175.9 | -164.6 | 57.9 | 84.3 | -2.9 | 111.8 | I596 E597 F602 L603 D604 Y622 F625 Y641 L645 | I596-R600 WeakPolarHBondContact O-CB 3.43Å; I596-R600 PolarHBondContact O-N 3.47Å; E597-R600 PolarHBondContact O-N 2.99Å; E597-R600 IonicContact OE1-NE 2.86Å; E597-R600 IonicContact OE2-CZ 2.79Å; E597-R600 VanDerWaalsContact OE2-CZ 3.24Å; E597-R600 IonicContact OE2-NE 3.03Å; E597-R600 PolarHBondContact OE2-NE 2.74Å; E597-R600 IonicContact OE2-NH2 3.71Å; E597-R600 PolarHBondContact OE2-NH2 3.35Å; R600-F602 PolarHBondContact O-N 2.98Å; R600-L603 PolarHBondContact O-N 2.89Å; R600-D604 IonicContact CZ-OD2 2.8Å; R600-D604 IonicContact NH1-OD2 3.7Å; R600-D604 PolarHBondContact NH1-OD2 2.73Å; R600-D604 PolarHBondContact O-N 3.19Å; R600-Y622 WeakPolarHBondContact CG-OH 3.18Å; R600-F625 HydrophobicContact CB-CE1 4.11Å; R600-F625 HydrophobicContact CB-CZ 3.8Å; R600-F625 HydrophobicContact CG-CE1 4.37Å; R600-Y641 WeakPolarHBondContact CD-OH 3.37Å; R600-L645 HydrophobicContact CG-CD2 4.36Å |
| 601 | E | 96.8 | Very high | 95.4 | Very high | 80 Ų | 80 | 45.6 Ų | 45.6 | 37% | 0.374 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -55.7 | -42.3 | 178.2 | -76.4 | 179.6 | 179.4 | 0 | 0 | 111.7 | K559 E597 D604 D605 | K559-E601 IonicContact NZ-OE2 2.69Å; K559-E601 PolarHBondContact NZ-OE2 3.14Å; E597-E601 WeakPolarHBondContact O-CB 3.35Å; E597-E601 WeakPolarHBondContact O-CG 3.5Å; E597-E601 PolarHBondContact O-N 3.41Å; E601-D604 PolarHBondContact O-N 3.36Å; E601-D605 PolarHBondContact O-N 2.92Å |
| 602 | F | 98 | Very high | 95.4 | Very high | 10 Ų | 10 | 47.6 Ų | 47.6 | 4% | 0.044 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 175.9 | 167.7 | -89.2 | 0 | 0 | 0 | 112 | V555 F564 R573 T576 A577 I580 V598 W599 R600 D605 C606 | V555-F602 HydrophobicContact CG1-CB 4.48Å; F564-F602 HydrophobicContact CD1-CD2 4.44Å; F564-F602 AromaticContact CD1-CE2 3.73Å; F564-F602 HydrophobicContact CD1-CE2 3.73Å; F564-F602 HydrophobicContact CD2-CD2 4.34Å; F564-F602 HydrophobicContact CD2-CE2 4.41Å; F564-F602 HydrophobicContact CE1-CD2 4.07Å; F564-F602 AromaticContact CE1-CE2 3.47Å; F564-F602 HydrophobicContact CE1-CE2 3.47Å; F564-F602 VanDerWaalsContact CE1-CE2 3.47Å; F564-F602 HydrophobicContact CE1-CZ 4.31Å; F564-F602 AromaticContact CE2-CD2 3.97Å; F564-F602 HydrophobicContact CE2-CD2 3.97Å; F564-F602 HydrophobicContact CE2-CE2 4.19Å; F564-F602 HydrophobicContact CG-CE2 4.2Å; F564-F602 AromaticContact CZ-CD2 3.83Å; F564-F602 HydrophobicContact CZ-CD2 3.83Å; F564-F602 AromaticContact CZ-CE2 3.72Å; F564-F602 HydrophobicContact CZ-CE2 3.72Å; R573-F602 HydrophobicContact CB-CE2 4.48Å; R573-F602 HydrophobicContact CB-CZ 4.2Å; R573-F602 HydrophobicContact CG-CE2 3.99Å; R573-F602 HydrophobicContact CG-CZ 4.2Å; T576-F602 HydrophobicContact CG2-CD1 4.06Å; T576-F602 HydrophobicContact CG2-CD2 4.33Å; T576-F602 HydrophobicContact CG2-CE1 3.66Å; T576-F602 HydrophobicContact CG2-CE2 3.95Å; T576-F602 HydrophobicContact CG2-CG 4.4Å; T576-F602 HydrophobicContact CG2-CZ 3.61Å; A577-F602 HydrophobicContact CB-CE1 4.24Å; I580-F602 HydrophobicContact CD1-CD1 3.5Å; I580-F602 HydrophobicContact CD1-CE1 4.01Å; I580-F602 HydrophobicContact CD1-CG 4.39Å; V598-F602 WeakPolarHBondContact O-CB 3.29Å; V598-F602 PolarHBondContact O-N 3.34Å; V598-F602 VanDerWaalsContact O-N 3.12Å; W599-F602 WeakPolarHBondContact O-CB 3.24Å; W599-F602 PolarHBondContact O-N 2.93Å; R600-F602 PolarHBondContact O-N 2.98Å; F602-D605 PolarHBondContact O-N 2.8Å; F602-C606 PolarHBondContact O-N 3.43Å; F602-C606 PolarHBondContact O-SG 3.49Å |
| 603 | L | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.7 | -46.1 | 177.2 | -67.9 | 174.5 | 0 | 0 | 0 | 110.6 | A577 I580 W599 R600 D605 C606 V607 T618 A621 Y622 F625 | A577-L603 HydrophobicContact CB-CD2 4.35Å; I580-L603 HydrophobicContact CD1-CD2 4.28Å; I580-L603 HydrophobicContact CD1-CG 4.32Å; I580-L603 HydrophobicContact CG2-CD1 4.09Å; W599-L603 WeakPolarHBondContact O-CG 3.47Å; W599-L603 PolarHBondContact O-N 3.05Å; R600-L603 PolarHBondContact O-N 2.89Å; L603-D605 VanDerWaalsContact C-N 3.28Å; L603-D605 PolarHBondContact O-N 3.32Å; L603-C606 CarbonylContact O-C 3.53Å; L603-C606 WeakPolarHBondContact O-CA 3.41Å; L603-C606 PolarHBondContact O-N 3.13Å; L603-V607 VanDerWaalsContact O-CG2 3.23Å; L603-V607 WeakPolarHBondContact O-CG2 3.39Å; L603-V607 PolarHBondContact O-N 3.48Å; L603-T618 HydrophobicContact CB-CG2 4.15Å; L603-T618 HydrophobicContact CD2-CG2 3.87Å; L603-T618 VanDerWaalsContact O-CG2 3.29Å; L603-T618 WeakPolarHBondContact O-CG2 3.41Å; L603-A621 HydrophobicContact CD2-CB 3.93Å; L603-Y622 HydrophobicContact CB-CD2 3.6Å; L603-Y622 HydrophobicContact CB-CE2 3.51Å; L603-Y622 HydrophobicContact CB-CG 4.41Å; L603-Y622 HydrophobicContact CD1-CD1 4.31Å; L603-Y622 HydrophobicContact CD1-CD2 4.09Å; L603-Y622 HydrophobicContact CD1-CE2 4.39Å; L603-Y622 HydrophobicContact CD1-CG 4.06Å; L603-Y622 HydrophobicContact CG-CD2 4.39Å; L603-F625 HydrophobicContact CD1-CB 4Å; L603-F625 HydrophobicContact CD1-CD1 4.35Å; L603-F625 HydrophobicContact CD1-CD2 4.18Å; L603-F625 HydrophobicContact CD1-CG 3.92Å |
| 604 | D | 96.8 | Very high | 95.8 | Very high | 26 Ų | 26 | 45.1 Ų | 45.1 | 14% | 0.139 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -54.8 | -42.5 | 176.9 | -75 | -15.5 | 0 | 0 | 0 | 112.3 | R600 E601 C606 Y622 | R600-D604 IonicContact CZ-OD2 2.8Å; R600-D604 IonicContact NH1-OD2 3.7Å; R600-D604 PolarHBondContact NH1-OD2 2.73Å; R600-D604 PolarHBondContact O-N 3.19Å; E601-D604 PolarHBondContact O-N 3.36Å; D604-C606 PolarHBondContact O-N 3.22Å; D604-Y622 VanDerWaalsContact OD1-CE2 3.27Å; D604-Y622 WeakPolarHBondContact OD1-CE2 3.42Å; D604-Y622 VanDerWaalsContact OD1-CZ 3.31Å; D604-Y622 PolarHBondContact OD1-OH 3.16Å |
| 605 | D | 95.2 | Very high | 95.9 | Very high | 108 Ų | 108 | 41.6 Ų | 41.6 | 58% | 0.578 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -62.3 | -26.9 | 174.7 | -83.2 | -7.8 | 0 | 0 | 0 | 113 | E601 F602 L603 | E601-D605 PolarHBondContact O-N 2.92Å; F602-D605 PolarHBondContact O-N 2.8Å; L603-D605 VanDerWaalsContact C-N 3.28Å; L603-D605 PolarHBondContact O-N 3.32Å |
| 606 | C | 97.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -98.2 | -18.7 | -175.6 | -61.5 | 0 | 0 | 0 | 0 | 114.2 | R573 F602 L603 D604 G608 H609 V614 T618 | R573-C606 PolarHBondContact NH1-SG 3.5Å; F602-C606 PolarHBondContact O-N 3.43Å; F602-C606 PolarHBondContact O-SG 3.49Å; L603-C606 CarbonylContact O-C 3.53Å; L603-C606 WeakPolarHBondContact O-CA 3.41Å; L603-C606 PolarHBondContact O-N 3.13Å; D604-C606 PolarHBondContact O-N 3.22Å; C606-G608 VanDerWaalsContact C-N 3.31Å; C606-G608 PolarHBondContact O-N 3.01Å; C606-H609 WeakPolarHBondContact O-CB 3.23Å; C606-H609 PolarHBondContact O-N 2.83Å; C606-H609 VanDerWaalsContact O-N 3.13Å; C606-V614 HydrophobicContact CB-CG1 4.04Å; C606-T618 HydrophobicContact CB-CG2 3.76Å; C606-T618 WeakPolarHBondContact CB-OG1 3.42Å |
| 607 | V | 96.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.5 | -44.6 | -177.5 | 178.6 | 0 | 0 | 0 | 0 | 111.8 | L603 H609 Q615 T618 Y622 G663 Y664 I667 | L603-V607 VanDerWaalsContact O-CG2 3.23Å; L603-V607 WeakPolarHBondContact O-CG2 3.39Å; L603-V607 PolarHBondContact O-N 3.48Å; V607-H609 VanDerWaalsContact C-N 3.34Å; V607-Q615 WeakPolarHBondContact O-CG 3Å; V607-Q615 PolarHBondContact O-NE2 3.46Å; V607-T618 HydrophobicContact CG2-CG2 3.94Å; V607-Y622 HydrophobicContact CG2-CD2 3.9Å; V607-Y622 HydrophobicContact CG2-CE2 3.95Å; V607-G663 VanDerWaalsContact CG1-C 3.4Å; V607-Y664 HydrophobicContact CB-CD2 4.33Å; V607-Y664 HydrophobicContact CB-CE2 3.89Å; V607-Y664 HydrophobicContact CG1-CD1 4.26Å; V607-Y664 HydrophobicContact CG1-CD2 3.53Å; V607-Y664 HydrophobicContact CG1-CE1 4.34Å; V607-Y664 HydrophobicContact CG1-CE2 3.62Å; V607-Y664 HydrophobicContact CG1-CG 3.86Å; V607-Y664 HydrophobicContact CG2-CE1 4.42Å; V607-Y664 HydrophobicContact CG2-CE2 4.48Å; V607-I667 HydrophobicContact CB-CD1 4.14Å; V607-I667 HydrophobicContact CG1-CD1 3.57Å; V607-I667 HydrophobicContact CG2-CD1 3.41Å; V607-I667 VanDerWaalsContact CG2-CD1 3.41Å |
| 608 | G | 92.7 | Very high | 96 | Very high | 16 Ų | 16 | 44.1 Ų | 44.1 | 17% | 0.165 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 17.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115 | C606 | C606-G608 VanDerWaalsContact C-N 3.31Å; C606-G608 PolarHBondContact O-N 3.01Å |
| 609 | H | 94.6 | Very high | 96 | Very high | 39 Ų | 39 | 42.8 Ų | 42.8 | 18% | 0.181 | 21% | 0.213 | C | C | . | . | trans | -66.6 | 141.6 | -172.9 | -163.2 | -87.1 | 0 | 0 | 0 | 111.5 | E570 C606 V607 N611 V614 | E570-H609 IonicContact OE1-CE1 2.65Å; C606-H609 WeakPolarHBondContact O-CB 3.23Å; C606-H609 PolarHBondContact O-N 2.83Å; C606-H609 VanDerWaalsContact O-N 3.13Å; V607-H609 VanDerWaalsContact C-N 3.34Å; H609-N611 VanDerWaalsContact C-N 3.31Å; H609-N611 WeakPolarHBondContact ND1-CB 3.45Å; H609-N611 PolarHBondContact ND1-N 3.13Å; H609-N611 PolarHBondContact O-N 3.37Å; H609-V614 HydrophobicContact CB-CB 4.2Å; H609-V614 HydrophobicContact CB-CG1 3.84Å | ||
| 610 | K | 90.2 | Very high | 96 | Very high | 194 Ų | 194 | 46.5 Ų | 46.5 | 84% | 0.843 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -67.7 | -30.4 | -177.7 | -66.8 | -177 | 178.3 | -178.9 | 0 | 113.3 | P612 | K610-P612 WeakPolarHBondContact O-CD 3.14Š|
| 611 | N | 93.7 | Very high | 96.1 | Very high | 40 Ų | 40 | 44.7 Ų | 44.7 | 21% | 0.214 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -76.9 | 117.9 | 174 | -174 | -39.9 | 0 | 0 | 0 | 109.8 | E570 H609 E613 V614 Q615 | E570-N611 PolarHBondContact OE2-ND2 3.5Å; H609-N611 VanDerWaalsContact C-N 3.31Å; H609-N611 WeakPolarHBondContact ND1-CB 3.45Å; H609-N611 PolarHBondContact ND1-N 3.13Å; H609-N611 PolarHBondContact O-N 3.37Å; N611-E613 VanDerWaalsContact C-N 3.27Å; N611-E613 PolarHBondContact O-N 3.37Å; N611-E613 WeakPolarHBondContact OD1-CB 3.3Å; N611-E613 PolarHBondContact OD1-N 2.7Å; N611-V614 HydrophobicContact CB-CB 4.4Å; N611-V614 HydrophobicContact CB-CG2 4.08Å; N611-V614 PolarHBondContact O-N 2.97Å; N611-Q615 PolarHBondContact O-N 2.87Å |
| 612 | P | 92.4 | Very high | 96.1 | Very high | 86 Ų | 86 | 40.9 Ų | 40.9 | 56% | 0.558 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -64.6 | -27.7 | -176 | 26.3 | -35.1 | 0 | 0 | 0 | 113.4 | K610 Q615 K616 | K610-P612 WeakPolarHBondContact O-CD 3.14Å; P612-Q615 PolarHBondContact O-N 3.44Å; P612-K616 WeakPolarHBondContact O-CB 3.34Å; P612-K616 PolarHBondContact O-N 3.38Å |
| 613 | E | 95 | Very high | 96.1 | Very high | 95 Ų | 95 | 40.9 Ų | 40.9 | 44% | 0.444 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -71.1 | -36.6 | 178.3 | -68.1 | -67.4 | 127.5 | 0 | 0 | 111.9 | K574 N611 A617 | K574-E613 HydrophobicContact CD-CB 3.91Å; N611-E613 VanDerWaalsContact C-N 3.27Å; N611-E613 PolarHBondContact O-N 3.37Å; N611-E613 WeakPolarHBondContact OD1-CB 3.3Å; N611-E613 PolarHBondContact OD1-N 2.7Å; E613-A617 WeakPolarHBondContact O-CB 3.2Å; E613-A617 PolarHBondContact O-N 3.46Å |
| 614 | V | 97.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.4 | -46.7 | 174.1 | 175.4 | 0 | 0 | 0 | 0 | 110.1 | E570 R573 C606 H609 N611 A617 T618 | E570-V614 HydrophobicContact CB-CG2 4Å; E570-V614 WeakPolarHBondContact O-CG2 3.31Å; R573-V614 HydrophobicContact CB-CG1 3.83Å; R573-V614 HydrophobicContact CB-CG2 4.34Å; C606-V614 HydrophobicContact CB-CG1 4.04Å; H609-V614 HydrophobicContact CB-CB 4.2Å; H609-V614 HydrophobicContact CB-CG1 3.84Å; N611-V614 HydrophobicContact CB-CB 4.4Å; N611-V614 HydrophobicContact CB-CG2 4.08Å; N611-V614 PolarHBondContact O-N 2.97Å; V614-A617 PolarHBondContact O-N 3.01Å; V614-T618 WeakPolarHBondContact O-CB 3.39Å; V614-T618 PolarHBondContact O-N 3.21Å; V614-T618 PolarHBondContact O-OG1 3.16Å |
| 615 | Q | 96.7 | Very high | 96.2 | Very high | 23 Ų | 23 | 43 Ų | 43 | 11% | 0.107 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58 | -50.2 | 175.8 | 172.8 | 173 | 73.3 | 0 | 0 | 110.7 | V607 N611 P612 A617 T618 V619 S659 | V607-Q615 WeakPolarHBondContact O-CG 3Å; V607-Q615 PolarHBondContact O-NE2 3.46Å; N611-Q615 PolarHBondContact O-N 2.87Å; P612-Q615 PolarHBondContact O-N 3.44Å; Q615-A617 PolarHBondContact O-N 3.4Å; Q615-T618 CarbonylContact O-C 3.52Å; Q615-T618 WeakPolarHBondContact O-CA 3.33Å; Q615-T618 WeakPolarHBondContact O-CB 3.4Å; Q615-T618 PolarHBondContact O-N 3.09Å; Q615-V619 HydrophobicContact CG-CG2 4Å; Q615-V619 WeakPolarHBondContact O-CB 3.42Å; Q615-V619 VanDerWaalsContact O-CG2 3.3Å; Q615-V619 WeakPolarHBondContact O-CG2 3.4Å; Q615-V619 PolarHBondContact O-N 3.4Å; Q615-S659 PolarHBondContact NE2-O 3.36Å |
| 616 | K | 96.7 | Very high | 96.2 | Very high | 120 Ų | 120 | 37.8 Ų | 37.8 | 52% | 0.522 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -57.8 | -46.1 | -179.9 | -178.2 | 179.2 | 178.6 | -178.2 | 0 | 112.6 | P612 T618 V619 N620 | P612-K616 WeakPolarHBondContact O-CB 3.34Å; P612-K616 PolarHBondContact O-N 3.38Å; K616-T618 VanDerWaalsContact C-N 3.27Å; K616-T618 PolarHBondContact O-N 2.85Å; K616-V619 PolarHBondContact O-N 3Å; K616-N620 WeakPolarHBondContact O-CB 3.38Å; K616-N620 PolarHBondContact O-N 3.38Å; K616-N620 PolarHBondContact O-ND2 3.04Å |
| 617 | A | 97.7 | Very high | 96.2 | Very high | 13 Ų | 13 | 41 Ų | 41 | 11% | 0.107 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.7 | -38.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | K574 A577 E613 V614 Q615 A621 | K574-A617 HydrophobicContact CG-CB 3.7Å; A577-A617 HydrophobicContact CB-CB 4.02Å; E613-A617 WeakPolarHBondContact O-CB 3.2Å; E613-A617 PolarHBondContact O-N 3.46Å; V614-A617 PolarHBondContact O-N 3.01Å; Q615-A617 PolarHBondContact O-N 3.4Å; A617-A621 WeakPolarHBondContact O-CB 3.32Å; A617-A621 PolarHBondContact O-N 3.43Å |
| 618 | T | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.2 | -46.3 | 178.5 | -53 | 0 | 0 | 0 | 0 | 112.1 | L603 C606 V607 V614 Q615 K616 N620 A621 Y622 | L603-T618 HydrophobicContact CB-CG2 4.15Å; L603-T618 HydrophobicContact CD2-CG2 3.87Å; L603-T618 VanDerWaalsContact O-CG2 3.29Å; L603-T618 WeakPolarHBondContact O-CG2 3.41Å; C606-T618 HydrophobicContact CB-CG2 3.76Å; C606-T618 WeakPolarHBondContact CB-OG1 3.42Å; V607-T618 HydrophobicContact CG2-CG2 3.94Å; V614-T618 WeakPolarHBondContact O-CB 3.39Å; V614-T618 PolarHBondContact O-N 3.21Å; V614-T618 PolarHBondContact O-OG1 3.16Å; Q615-T618 CarbonylContact O-C 3.52Å; Q615-T618 WeakPolarHBondContact O-CA 3.33Å; Q615-T618 WeakPolarHBondContact O-CB 3.4Å; Q615-T618 PolarHBondContact O-N 3.09Å; K616-T618 VanDerWaalsContact C-N 3.27Å; K616-T618 PolarHBondContact O-N 2.85Å; T618-N620 PolarHBondContact O-N 2.85Å; T618-A621 WeakPolarHBondContact O-CB 3.48Å; T618-A621 PolarHBondContact O-N 2.82Å; T618-Y622 PolarHBondContact O-N 3.42Å |
| 619 | V | 97.9 | Very high | 96.3 | Very high | 9 Ų | 9 | 40.8 Ų | 40.8 | 6% | 0.055 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.8 | -33.6 | 177.2 | 168.5 | 0 | 0 | 0 | 0 | 111.4 | Q615 K616 P623 Q666 I667 | Q615-V619 HydrophobicContact CG-CG2 4Å; Q615-V619 WeakPolarHBondContact O-CB 3.42Å; Q615-V619 VanDerWaalsContact O-CG2 3.3Å; Q615-V619 WeakPolarHBondContact O-CG2 3.4Å; Q615-V619 PolarHBondContact O-N 3.4Å; K616-V619 PolarHBondContact O-N 3Å; V619-P623 WeakPolarHBondContact O-CD 3.39Å; V619-P623 WeakPolarHBondContact O-CG 3.33Å; V619-Q666 HydrophobicContact CB-CB 4.46Å; V619-Q666 HydrophobicContact CG1-CB 3.37Å; V619-Q666 HydrophobicContact CG1-CG 4.34Å; V619-Q666 HydrophobicContact CG2-CB 4.21Å; V619-I667 HydrophobicContact CB-CG1 4.42Å; V619-I667 HydrophobicContact CG1-CG1 4.45Å; V619-I667 HydrophobicContact CG2-CD1 4.49Å; V619-I667 HydrophobicContact CG2-CG1 4.16Å |
| 620 | N | 97.5 | Very high | 96.3 | Very high | 78 Ų | 78 | 39 Ų | 39 | 42% | 0.417 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -73.1 | -33.4 | 172.7 | -69.9 | -19.4 | 0 | 0 | 0 | 112.7 | K616 T618 H624 | K616-N620 WeakPolarHBondContact O-CB 3.38Å; K616-N620 PolarHBondContact O-N 3.38Å; K616-N620 PolarHBondContact O-ND2 3.04Å; T618-N620 PolarHBondContact O-N 2.85Å; N620-H624 PolarHBondContact O-ND1 3.1Å |
| 621 | A | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -75.1 | -43.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A577 Q581 L603 A617 T618 H624 F625 | A577-A621 HydrophobicContact CB-CB 4.35Å; A577-A621 WeakPolarHBondContact O-CB 3.47Å; Q581-A621 HydrophobicContact CB-CB 3.74Å; Q581-A621 HydrophobicContact CG-CB 4.47Å; L603-A621 HydrophobicContact CD2-CB 3.93Å; A617-A621 WeakPolarHBondContact O-CB 3.32Å; A617-A621 PolarHBondContact O-N 3.43Å; T618-A621 WeakPolarHBondContact O-CB 3.48Å; T618-A621 PolarHBondContact O-N 2.82Å; A621-H624 PolarHBondContact O-N 3.16Å; A621-F625 PolarHBondContact O-N 2.94Å |
| 622 | Y | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.4 | -45.3 | -170.7 | -136 | -50.1 | 0 | 0 | 0 | 113.6 | R600 L603 D604 V607 T618 H624 F625 L626 F649 I667 | R600-Y622 WeakPolarHBondContact CG-OH 3.18Å; L603-Y622 HydrophobicContact CB-CD2 3.6Å; L603-Y622 HydrophobicContact CB-CE2 3.51Å; L603-Y622 HydrophobicContact CB-CG 4.41Å; L603-Y622 HydrophobicContact CD1-CD1 4.31Å; L603-Y622 HydrophobicContact CD1-CD2 4.09Å; L603-Y622 HydrophobicContact CD1-CE2 4.39Å; L603-Y622 HydrophobicContact CD1-CG 4.06Å; L603-Y622 HydrophobicContact CG-CD2 4.39Å; D604-Y622 VanDerWaalsContact OD1-CE2 3.27Å; D604-Y622 WeakPolarHBondContact OD1-CE2 3.42Å; D604-Y622 VanDerWaalsContact OD1-CZ 3.31Å; D604-Y622 PolarHBondContact OD1-OH 3.16Å; V607-Y622 HydrophobicContact CG2-CD2 3.9Å; V607-Y622 HydrophobicContact CG2-CE2 3.95Å; T618-Y622 PolarHBondContact O-N 3.42Å; Y622-H624 VanDerWaalsContact C-N 3.3Å; Y622-H624 PolarHBondContact O-N 3.22Å; Y622-F625 HydrophobicContact CD1-CD1 4.17Å; Y622-F625 HydrophobicContact CE1-CD1 4.02Å; Y622-F625 HydrophobicContact CE1-CE1 4.43Å; Y622-F625 WeakPolarHBondContact O-CB 3.28Å; Y622-F625 PolarHBondContact O-N 2.93Å; Y622-F625 VanDerWaalsContact O-N 3.14Å; Y622-L626 HydrophobicContact CD1-CD1 3.96Å; Y622-L626 HydrophobicContact CD1-CD2 4.29Å; Y622-L626 HydrophobicContact CD1-CG 3.83Å; Y622-L626 HydrophobicContact CE1-CD1 4.43Å; Y622-L626 HydrophobicContact CE1-CD2 4.08Å; Y622-L626 HydrophobicContact CE1-CG 4.15Å; Y622-L626 WeakPolarHBondContact O-CG 3.44Å; Y622-L626 PolarHBondContact O-N 2.63Å; Y622-F649 HydrophobicContact CD1-CZ 4.14Å; Y622-F649 HydrophobicContact CE1-CE1 4.27Å; Y622-F649 AromaticContact CE1-CZ 3.6Å; Y622-F649 HydrophobicContact CE1-CZ 3.6Å; Y622-F649 HydrophobicContact CE2-CE1 4.49Å; Y622-F649 HydrophobicContact CE2-CZ 4.28Å; Y622-F649 AromaticContact CZ-CE1 3.9Å; Y622-F649 AromaticContact CZ-CZ 3.66Å; Y622-I667 HydrophobicContact CD1-CG2 4.34Å; Y622-I667 HydrophobicContact CD2-CD1 3.58Å; Y622-I667 HydrophobicContact CD2-CG1 4.45Å; Y622-I667 HydrophobicContact CE2-CD1 4.36Å; Y622-I667 HydrophobicContact CG-CD1 3.99Å; Y622-I667 HydrophobicContact CG-CG1 4.39Å; Y622-I667 HydrophobicContact CG-CG2 4.06Å |
| 623 | P | 97.6 | Very high | 96.4 | Very high | 11 Ų | 11 | 36.8 Ų | 36.8 | 7% | 0.071 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.1 | -37.7 | 177.2 | -29 | 37.9 | 0 | 0 | 0 | 114.1 | V619 L626 S627 A670 | V619-P623 WeakPolarHBondContact O-CD 3.39Å; V619-P623 WeakPolarHBondContact O-CG 3.33Å; P623-L626 PolarHBondContact O-N 3.14Å; P623-S627 WeakPolarHBondContact O-CB 3.12Å; P623-S627 PolarHBondContact O-N 2.97Å; P623-S627 PolarHBondContact O-OG 3.27Å; P623-A670 HydrophobicContact CB-CB 4.15Å; P623-A670 WeakPolarHBondContact CB-O 3.47Å; P623-A670 HydrophobicContact CG-CB 3.56Å |
| 624 | H | 97.8 | Very high | 96.2 | Very high | 69 Ų | 69 | 38.8 Ų | 38.8 | 32% | 0.319 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -70.5 | -41 | 175.9 | -63.9 | 88.4 | 0 | 0 | 0 | 111 | Q581 A584 M585 N620 A621 Y622 S627 A628 | Q581-H624 HydrophobicContact CG-CB 4.19Å; Q581-H624 PolarHBondContact NE2-CE1 2.87Å; A584-H624 HydrophobicContact CB-CB 4.24Å; M585-H624 HydrophobicContact CG-CB 4.24Å; M585-H624 WeakPolarHBondContact CG-CD2 3.21Å; N620-H624 PolarHBondContact O-ND1 3.1Å; A621-H624 PolarHBondContact O-N 3.16Å; Y622-H624 VanDerWaalsContact C-N 3.3Å; Y622-H624 PolarHBondContact O-N 3.22Å; H624-S627 PolarHBondContact O-N 2.77Å; H624-A628 PolarHBondContact O-N 3.1Å; H624-A628 VanDerWaalsContact O-N 3.08Å |
| 625 | F | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -56.7 | -48.5 | 172.3 | 173.7 | -87.4 | 0 | 0 | 0 | 111.4 | I580 I596 W599 R600 L603 A621 Y622 S627 A628 Y629 | I580-F625 HydrophobicContact CG2-CD2 4Å; I596-F625 HydrophobicContact CG2-CE2 3.93Å; I596-F625 HydrophobicContact CG2-CZ 3.55Å; I596-F625 WeakPolarHBondContact O-CZ 3.38Å; W599-F625 HydrophobicContact CB-CE2 3.96Å; R600-F625 HydrophobicContact CB-CE1 4.11Å; R600-F625 HydrophobicContact CB-CZ 3.8Å; R600-F625 HydrophobicContact CG-CE1 4.37Å; L603-F625 HydrophobicContact CD1-CB 4Å; L603-F625 HydrophobicContact CD1-CD1 4.35Å; L603-F625 HydrophobicContact CD1-CD2 4.18Å; L603-F625 HydrophobicContact CD1-CG 3.92Å; A621-F625 PolarHBondContact O-N 2.94Å; Y622-F625 HydrophobicContact CD1-CD1 4.17Å; Y622-F625 HydrophobicContact CE1-CD1 4.02Å; Y622-F625 HydrophobicContact CE1-CE1 4.43Å; Y622-F625 WeakPolarHBondContact O-CB 3.28Å; Y622-F625 PolarHBondContact O-N 2.93Å; Y622-F625 VanDerWaalsContact O-N 3.14Å; F625-S627 PolarHBondContact O-N 3.09Å; F625-A628 PolarHBondContact O-N 2.97Å; F625-Y629 AromaticContact CD2-CD2 3.58Å; F625-Y629 HydrophobicContact CD2-CD2 3.58Å; F625-Y629 HydrophobicContact CD2-CE2 4.13Å; F625-Y629 AromaticContact CE2-CD2 3.73Å; F625-Y629 HydrophobicContact CE2-CD2 3.73Å; F625-Y629 HydrophobicContact CE2-CE2 4.43Å; F625-Y629 HydrophobicContact CE2-CG 4.47Å; F625-Y629 HydrophobicContact CG-CD2 4.18Å; F625-Y629 HydrophobicContact CZ-CD2 4.44Å; F625-Y629 WeakPolarHBondContact O-CD2 3.34Å; F625-Y629 PolarHBondContact O-N 3.06Å |
| 626 | L | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.5 | -43.6 | 177.3 | -68.8 | 167.8 | 0 | 0 | 0 | 111.7 | Y622 P623 A628 L630 L645 F649 I667 A671 P672 L675 | Y622-L626 HydrophobicContact CD1-CD1 3.96Å; Y622-L626 HydrophobicContact CD1-CD2 4.29Å; Y622-L626 HydrophobicContact CD1-CG 3.83Å; Y622-L626 HydrophobicContact CE1-CD1 4.43Å; Y622-L626 HydrophobicContact CE1-CD2 4.08Å; Y622-L626 HydrophobicContact CE1-CG 4.15Å; Y622-L626 WeakPolarHBondContact O-CG 3.44Å; Y622-L626 PolarHBondContact O-N 2.63Å; P623-L626 PolarHBondContact O-N 3.14Å; L626-A628 PolarHBondContact O-N 3.3Å; L626-L630 HydrophobicContact CB-CD1 3.8Å; L626-L630 HydrophobicContact CB-CG 4.09Å; L626-L630 HydrophobicContact CD2-CD1 4.02Å; L626-L630 HydrophobicContact CD2-CD2 4.05Å; L626-L630 HydrophobicContact CD2-CG 3.88Å; L626-L630 HydrophobicContact CG-CD1 4.45Å; L626-L630 WeakPolarHBondContact O-CB 3.42Å; L626-L630 VanDerWaalsContact O-CG 3.24Å; L626-L630 WeakPolarHBondContact O-CG 3.37Å; L626-L630 PolarHBondContact O-N 3.34Å; L626-L645 HydrophobicContact CD2-CD1 3.77Å; L626-F649 HydrophobicContact CD1-CE2 4.17Å; L626-F649 HydrophobicContact CD1-CZ 4.48Å; L626-I667 HydrophobicContact CD1-CG2 4.29Å; L626-A671 HydrophobicContact CD1-CB 3.86Å; L626-P672 HydrophobicContact CB-CG 4.09Å; L626-L675 HydrophobicContact CD1-CD2 4.1Å; L626-L675 HydrophobicContact CD2-CD1 4.44Å |
| 627 | S | 96 | Very high | 95.6 | Very high | 66 Ų | 66 | 43.3 Ų | 43.3 | 46% | 0.462 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.2 | -25.9 | -179.8 | -59.1 | 0 | 0 | 0 | 0 | 113.3 | P623 H624 F625 Y631 | P623-S627 WeakPolarHBondContact O-CB 3.12Å; P623-S627 PolarHBondContact O-N 2.97Å; P623-S627 PolarHBondContact O-OG 3.27Å; H624-S627 PolarHBondContact O-N 2.77Å; F625-S627 PolarHBondContact O-N 3.09Å; S627-Y631 WeakPolarHBondContact O-CD2 3.1Å; S627-Y631 WeakPolarHBondContact O-CE2 3.47Å |
| 628 | A | 95.5 | Very high | 95.5 | Very high | 9 Ų | 9 | 45.5 Ų | 45.5 | 7% | 0.074 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -90.3 | -48.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A584 H624 F625 L626 | A584-A628 HydrophobicContact CB-CB 4.08Å; H624-A628 PolarHBondContact O-N 3.1Å; H624-A628 VanDerWaalsContact O-N 3.08Å; F625-A628 PolarHBondContact O-N 2.97Å; L626-A628 PolarHBondContact O-N 3.3Å |
| 629 | Y | 96.3 | Very high | 95.2 | Very high | 3 Ų | 3 | 50.9 Ų | 50.9 | 1% | 0.012 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -111.9 | 3.8 | -162.7 | -54.5 | -61.3 | 0 | 0 | 0 | 115.1 | A584 L588 F590 I596 W599 F625 Y631 | A584-Y629 HydrophobicContact CB-CE2 3.91Å; L588-Y629 PolarHBondContact O-OH 3.46Å; F590-Y629 HydrophobicContact CB-CE1 4.46Å; I596-Y629 HydrophobicContact CD1-CD1 3.52Å; I596-Y629 HydrophobicContact CD1-CD2 3.81Å; I596-Y629 HydrophobicContact CD1-CE1 3.58Å; I596-Y629 HydrophobicContact CD1-CE2 3.85Å; I596-Y629 HydrophobicContact CD1-CG 3.64Å; I596-Y629 HydrophobicContact CG1-CD1 4.19Å; I596-Y629 HydrophobicContact CG1-CG 4.33Å; I596-Y629 HydrophobicContact CG2-CG 4.27Å; W599-Y629 HydrophobicContact CE3-CE2 4.27Å; W599-Y629 HydrophobicContact CZ3-CE2 4.06Å; F625-Y629 AromaticContact CD2-CD2 3.58Å; F625-Y629 HydrophobicContact CD2-CD2 3.58Å; F625-Y629 HydrophobicContact CD2-CE2 4.13Å; F625-Y629 AromaticContact CE2-CD2 3.73Å; F625-Y629 HydrophobicContact CE2-CD2 3.73Å; F625-Y629 HydrophobicContact CE2-CE2 4.43Å; F625-Y629 HydrophobicContact CE2-CG 4.47Å; F625-Y629 HydrophobicContact CG-CD2 4.18Å; F625-Y629 HydrophobicContact CZ-CD2 4.44Å; F625-Y629 WeakPolarHBondContact O-CD2 3.34Å; F625-Y629 PolarHBondContact O-N 3.06Å; Y629-Y631 PolarHBondContact O-N 3.06Å |
| 630 | L | 95.4 | Very high | 94.9 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -67.9 | -18.9 | 159.9 | -78.7 | 173.3 | 0 | 0 | 0 | 112.2 | L626 L637 Q638 Y641 K642 L645 P672 L675 | L626-L630 HydrophobicContact CB-CD1 3.8Å; L626-L630 HydrophobicContact CB-CG 4.09Å; L626-L630 HydrophobicContact CD2-CD1 4.02Å; L626-L630 HydrophobicContact CD2-CD2 4.05Å; L626-L630 HydrophobicContact CD2-CG 3.88Å; L626-L630 HydrophobicContact CG-CD1 4.45Å; L626-L630 WeakPolarHBondContact O-CB 3.42Å; L626-L630 VanDerWaalsContact O-CG 3.24Å; L626-L630 WeakPolarHBondContact O-CG 3.37Å; L626-L630 PolarHBondContact O-N 3.34Å; L630-L637 HydrophobicContact CB-CD1 4.1Å; L630-Q638 WeakPolarHBondContact O-CB 3.5Å; L630-Q638 PolarHBondContact O-N 2.71Å; L630-Y641 HydrophobicContact CD2-CD1 4.37Å; L630-K642 HydrophobicContact CD2-CB 4.15Å; L630-L645 HydrophobicContact CD2-CD1 3.82Å; L630-P672 HydrophobicContact CD1-CG 3.92Å; L630-L675 HydrophobicContact CD1-CB 4.27Å; L630-L675 HydrophobicContact CD1-CD1 4.49Å; L630-L675 HydrophobicContact CD2-CD1 4.43Å |
| 631 | Y | 95.3 | Very high | 94.8 | Very high | 58 Ų | 58 | 51 Ų | 51 | 23% | 0.227 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -101.9 | 150.9 | -178.3 | -52.4 | -88.1 | 0 | 0 | 0 | 110 | S627 Y629 G635 E636 L637 Q638 S674 | S627-Y631 WeakPolarHBondContact O-CD2 3.1Å; S627-Y631 WeakPolarHBondContact O-CE2 3.47Å; Y629-Y631 PolarHBondContact O-N 3.06Å; Y631-G635 WeakPolarHBondContact CD1-O 3.41Å; Y631-E636 CarbonylContact C-O 3.54Å; Y631-E636 VanDerWaalsContact CA-O 3.24Å; Y631-E636 WeakPolarHBondContact CA-O 3.31Å; Y631-L637 HydrophobicContact CD1-CB 4.22Å; Y631-L637 HydrophobicContact CD1-CD1 4.37Å; Y631-L637 HydrophobicContact CE1-CB 4.21Å; Y631-L637 HydrophobicContact CE1-CD1 4.11Å; Y631-Q638 PolarHBondContact O-NE2 3.34Å; Y631-Q638 VanDerWaalsContact O-NE2 3.12Å; Y631-S674 PolarHBondContact OH-OG 2.94Å |
| 632 | D | 92.6 | Very high | 94.6 | Very high | 29 Ų | 29 | 51.6 Ų | 51.6 | 16% | 0.155 | 28% | 0.279 | C | S | . | . | trans | -75.5 | -178.9 | 170.3 | 77.7 | -4.3 | 0 | 0 | 0 | 110.8 | N634 G635 E636 Q638 | D632-N634 PolarHBondContact O-N 3.44Å; D632-N634 VanDerWaalsContact OD1-CA 3.3Å; D632-N634 WeakPolarHBondContact OD1-CA 3.49Å; D632-N634 WeakPolarHBondContact OD1-CB 3.44Å; D632-N634 PolarHBondContact OD1-N 2.79Å; D632-N634 PolarHBondContact OD2-ND2 2.87Å; D632-G635 PolarHBondContact O-N 3.47Å; D632-G635 PolarHBondContact OD1-N 2.73Å; D632-E636 PolarHBondContact N-O 2.83Å; D632-E636 PolarHBondContact OD1-N 3.44Å; D632-Q638 HydrophobicContact CB-CG 4.02Å | ||
| 633 | R | 89.8 | Confident | 94.4 | Very high | 188 Ų | 188 | 53.7 Ų | 53.7 | 71% | 0.709 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -23.4 | 177.8 | -168.1 | 175.2 | 177.9 | 176 | 0.8 | 113.9 | H591 G635 | H591-R633 HydrophobicContact CB-CB 3.91Å; R633-G635 VanDerWaalsContact C-N 3.33Å |
| 634 | N | 90.9 | Very high | 94.2 | Very high | 137 Ų | 137 | 58 Ų | 58 | 73% | 0.733 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -6.4 | 178.9 | -56.3 | -43.5 | 0 | 0 | 0 | 112.3 | D632 E636 | D632-N634 PolarHBondContact O-N 3.44Å; D632-N634 VanDerWaalsContact OD1-CA 3.3Å; D632-N634 WeakPolarHBondContact OD1-CA 3.49Å; D632-N634 WeakPolarHBondContact OD1-CB 3.44Å; D632-N634 PolarHBondContact OD1-N 2.79Å; D632-N634 PolarHBondContact OD2-ND2 2.87Å; N634-E636 HydrophobicContact CB-CG 4.46Å |
| 635 | G | 90.6 | Very high | 94.1 | Very high | 50 Ų | 50 | 54.7 Ų | 54.7 | 52% | 0.515 | 30% | 0.297 | S | S | . | . | S | Bend | trans | 85.3 | 11.2 | -176 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y631 D632 R633 | Y631-G635 WeakPolarHBondContact CD1-O 3.41Å; D632-G635 PolarHBondContact O-N 3.47Å; D632-G635 PolarHBondContact OD1-N 2.73Å; R633-G635 VanDerWaalsContact C-N 3.33Å |
| 636 | E | 93.9 | Very high | 93.9 | Very high | 137 Ų | 137 | 55.2 Ų | 55.2 | 64% | 0.64 | 30% | 0.299 | S | S | * | . | trans | -83.5 | 137.5 | 176.2 | -61.9 | -166.1 | 163.6 | 0 | 0 | 110.8 | Y631 D632 N634 Q638 | Y631-E636 CarbonylContact C-O 3.54Å; Y631-E636 VanDerWaalsContact CA-O 3.24Å; Y631-E636 WeakPolarHBondContact CA-O 3.31Å; D632-E636 PolarHBondContact N-O 2.83Å; D632-E636 PolarHBondContact OD1-N 3.44Å; N634-E636 HydrophobicContact CB-CG 4.46Å; E636-Q638 PolarHBondContact O-N 3.43Å | ||
| 637 | L | 94 | Very high | 93.8 | Very high | 52 Ų | 52 | 63 Ų | 63 | 27% | 0.272 | 33% | 0.328 | S | S | . | . | B | Isolated β-bridge | trans | -67.7 | 121.9 | 179.5 | 179.8 | 65.4 | 0 | 0 | 0 | 110.7 | L630 Y631 L639 K642 | L630-L637 HydrophobicContact CB-CD1 4.1Å; Y631-L637 HydrophobicContact CD1-CB 4.22Å; Y631-L637 HydrophobicContact CD1-CD1 4.37Å; Y631-L637 HydrophobicContact CE1-CB 4.21Å; Y631-L637 HydrophobicContact CE1-CD1 4.11Å; L637-L639 HydrophobicContact CD2-CD2 4.18Å; L637-L639 PolarHBondContact O-N 2.92Å; L637-K642 HydrophobicContact CD1-CB 4.26Å; L637-K642 HydrophobicContact CD1-CG 4.39Å |
| 638 | Q | 94 | Very high | 93.6 | Very high | 58 Ų | 58 | 61.7 Ų | 61.7 | 27% | 0.271 | 32% | 0.316 | S | S | . | . | trans | -77.9 | 86.7 | 178.2 | -60.7 | -173.7 | 54.1 | 0 | 0 | 110.8 | L630 Y631 D632 E636 G640 Y641 K642 | L630-Q638 WeakPolarHBondContact O-CB 3.5Å; L630-Q638 PolarHBondContact O-N 2.71Å; Y631-Q638 PolarHBondContact O-NE2 3.34Å; Y631-Q638 VanDerWaalsContact O-NE2 3.12Å; D632-Q638 HydrophobicContact CB-CG 4.02Å; E636-Q638 PolarHBondContact O-N 3.43Å; Q638-G640 VanDerWaalsContact C-N 3.35Å; Q638-G640 PolarHBondContact O-N 2.97Å; Q638-Y641 PolarHBondContact O-N 3.39Å; Q638-K642 WeakPolarHBondContact O-CB 3.44Å; Q638-K642 PolarHBondContact O-N 3.07Å | ||
| 639 | L | 92.5 | Very high | 93.6 | Very high | 113 Ų | 113 | 61.3 Ų | 61.3 | 59% | 0.592 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -52 | -46.6 | -173.2 | -69.3 | 174.3 | 0 | 0 | 0 | 114 | L637 Y641 K642 D643 | L637-L639 HydrophobicContact CD2-CD2 4.18Å; L637-L639 PolarHBondContact O-N 2.92Å; L639-Y641 VanDerWaalsContact C-N 3.32Å; L639-Y641 PolarHBondContact O-N 2.66Å; L639-K642 PolarHBondContact O-N 3.47Å; L639-D643 WeakPolarHBondContact O-CB 3.15Å; L639-D643 PolarHBondContact O-N 2.76Å |
| 640 | G | 92.6 | Very high | 93.5 | Very high | 61 Ų | 61 | 63.4 Ų | 63.4 | 63% | 0.629 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -63.3 | -37.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q638 L644 | Q638-G640 VanDerWaalsContact C-N 3.35Å; Q638-G640 PolarHBondContact O-N 2.97Å; G640-L644 WeakPolarHBondContact O-CB 3.28Å; G640-L644 PolarHBondContact O-N 3.28Å |
| 641 | Y | 93.7 | Very high | 93.4 | Very high | 28 Ų | 28 | 69.1 Ų | 69.1 | 11% | 0.11 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -73.1 | -45.7 | 177 | -172.4 | -125 | 0 | 0 | 0 | 111.5 | E597 R600 L630 Q638 L639 D643 L644 L645 | E597-Y641 WeakPolarHBondContact OE1-CE2 3.24Å; E597-Y641 PolarHBondContact OE1-OH 3.42Å; R600-Y641 WeakPolarHBondContact CD-OH 3.37Å; L630-Y641 HydrophobicContact CD2-CD1 4.37Å; Q638-Y641 PolarHBondContact O-N 3.39Å; L639-Y641 VanDerWaalsContact C-N 3.32Å; L639-Y641 PolarHBondContact O-N 2.66Å; Y641-D643 PolarHBondContact O-N 3.3Å; Y641-L644 WeakPolarHBondContact O-CB 3.37Å; Y641-L644 PolarHBondContact O-N 3.07Å; Y641-L645 HydrophobicContact CD1-CD1 4.07Å; Y641-L645 HydrophobicContact CD2-CG 4.47Å; Y641-L645 HydrophobicContact CE1-CD1 3.62Å; Y641-L645 HydrophobicContact CE1-CG 4.34Å; Y641-L645 HydrophobicContact CE2-CD1 4.32Å; Y641-L645 HydrophobicContact CE2-CD2 4.15Å; Y641-L645 HydrophobicContact CE2-CG 4.22Å; Y641-L645 WeakPolarHBondContact O-CG 3.43Å; Y641-L645 PolarHBondContact O-N 3.22Å |
| 642 | K | 94.4 | Very high | 93.3 | Very high | 13 Ų | 13 | 68.4 Ų | 68.4 | 6% | 0.057 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -54.4 | -48.2 | 174.3 | 170.4 | -107.1 | 164.7 | -170.2 | 0 | 111.8 | L630 L637 Q638 L639 L644 L645 Y646 S674 L675 C677 | L630-K642 HydrophobicContact CD2-CB 4.15Å; L637-K642 HydrophobicContact CD1-CB 4.26Å; L637-K642 HydrophobicContact CD1-CG 4.39Å; Q638-K642 WeakPolarHBondContact O-CB 3.44Å; Q638-K642 PolarHBondContact O-N 3.07Å; L639-K642 PolarHBondContact O-N 3.47Å; K642-L644 PolarHBondContact O-N 2.54Å; K642-L645 PolarHBondContact O-N 2.64Å; K642-Y646 WeakPolarHBondContact O-CB 3.47Å; K642-Y646 PolarHBondContact O-N 2.88Å; K642-S674 WeakPolarHBondContact CE-O 3.32Å; K642-S674 VanDerWaalsContact CG-O 3.29Å; K642-S674 WeakPolarHBondContact CG-O 3.43Å; K642-L675 WeakPolarHBondContact CE-O 3.15Å; K642-C677 PolarHBondContact NZ-O 3.22Å |
| 643 | D | 94.3 | Very high | 93.4 | Very high | 45 Ų | 45 | 67.7 Ų | 67.7 | 24% | 0.241 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.6 | -35.4 | 179.3 | -71.9 | -14.9 | 0 | 0 | 0 | 112.5 | L639 Y641 R647 | L639-D643 WeakPolarHBondContact O-CB 3.15Å; L639-D643 PolarHBondContact O-N 2.76Å; Y641-D643 PolarHBondContact O-N 3.3Å; D643-R647 WeakPolarHBondContact O-CB 3.32Å; D643-R647 VanDerWaalsContact O-CG 3.24Å; D643-R647 WeakPolarHBondContact O-CG 3.33Å; D643-R647 PolarHBondContact O-N 3.18Å |
| 644 | L | 93.8 | Very high | 93.5 | Very high | 100 Ų | 100 | 64.4 Ų | 64.4 | 52% | 0.524 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.8 | -48.2 | 173.9 | 177.8 | 67.7 | 0 | 0 | 0 | 111.3 | G640 Y641 K642 N648 | G640-L644 WeakPolarHBondContact O-CB 3.28Å; G640-L644 PolarHBondContact O-N 3.28Å; Y641-L644 WeakPolarHBondContact O-CB 3.37Å; Y641-L644 PolarHBondContact O-N 3.07Å; K642-L644 PolarHBondContact O-N 2.54Å; L644-N648 PolarHBondContact O-N 3.34Å |
| 645 | L | 94.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.1 | -45 | 179.3 | -65.3 | -172.9 | 0 | 0 | 0 | 112 | R600 L626 L630 Y641 K642 R647 N648 F649 L675 | R600-L645 HydrophobicContact CG-CD2 4.36Å; L626-L645 HydrophobicContact CD2-CD1 3.77Å; L630-L645 HydrophobicContact CD2-CD1 3.82Å; Y641-L645 HydrophobicContact CD1-CD1 4.07Å; Y641-L645 HydrophobicContact CD2-CG 4.47Å; Y641-L645 HydrophobicContact CE1-CD1 3.62Å; Y641-L645 HydrophobicContact CE1-CG 4.34Å; Y641-L645 HydrophobicContact CE2-CD1 4.32Å; Y641-L645 HydrophobicContact CE2-CD2 4.15Å; Y641-L645 HydrophobicContact CE2-CG 4.22Å; Y641-L645 WeakPolarHBondContact O-CG 3.43Å; Y641-L645 PolarHBondContact O-N 3.22Å; K642-L645 PolarHBondContact O-N 2.64Å; L645-R647 VanDerWaalsContact C-N 3.33Å; L645-R647 PolarHBondContact O-N 3.07Å; L645-N648 PolarHBondContact O-N 3.17Å; L645-N648 VanDerWaalsContact O-N 3.17Å; L645-F649 WeakPolarHBondContact O-CD1 3.24Å; L645-F649 PolarHBondContact O-N 3.23Å; L645-L675 HydrophobicContact CB-CD1 4.11Å |
| 646 | Y | 94.9 | Very high | 93.6 | Very high | 10 Ų | 10 | 62.8 Ų | 62.8 | 4% | 0.039 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57.4 | -47.2 | 177.4 | 178.2 | -106.2 | 0 | 0 | 0 | 111.5 | K642 N648 F649 L650 H679 L683 | K642-Y646 WeakPolarHBondContact O-CB 3.47Å; K642-Y646 PolarHBondContact O-N 2.88Å; Y646-N648 VanDerWaalsContact C-N 3.35Å; Y646-N648 PolarHBondContact O-N 2.98Å; Y646-F649 PolarHBondContact O-N 2.92Å; Y646-L650 HydrophobicContact CE1-CD2 4.35Å; Y646-L650 WeakPolarHBondContact O-CB 3.21Å; Y646-L650 PolarHBondContact O-N 3.42Å; Y646-H679 HydrophobicContact CD1-CB 4.16Å; Y646-H679 AromaticContact CD1-CD2 3.34Å; Y646-H679 WeakPolarHBondContact CD1-CD2 3.18Å; Y646-H679 AromaticContact CD1-CG 3.84Å; Y646-H679 AromaticContact CD1-NE2 3.98Å; Y646-H679 HydrophobicContact CE1-CB 3.29Å; Y646-H679 AromaticContact CE1-CD2 3.35Å; Y646-H679 WeakPolarHBondContact CE1-CD2 3.26Å; Y646-H679 AromaticContact CE1-CG 3.31Å; Y646-H679 HydrophobicContact CE2-CB 4.21Å; Y646-H679 AromaticContact CZ-CG 3.92Å; Y646-H679 VanDerWaalsContact OH-CB 3.28Å; Y646-H679 WeakPolarHBondContact OH-CB 3.23Å; Y646-H679 PolarHBondContact OH-O 3.05Å; Y646-L683 HydrophobicContact CE2-CD1 4.5Å |
| 647 | R | 94.2 | Very high | 93.6 | Very high | 163 Ų | 163 | 58.2 Ų | 58.2 | 62% | 0.615 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -60.3 | -42.8 | 176 | -74.3 | 174.9 | -173.6 | 167.6 | 6 | 112.3 | D643 L645 L650 L651 | D643-R647 WeakPolarHBondContact O-CB 3.32Å; D643-R647 VanDerWaalsContact O-CG 3.24Å; D643-R647 WeakPolarHBondContact O-CG 3.33Å; D643-R647 PolarHBondContact O-N 3.18Å; L645-R647 VanDerWaalsContact C-N 3.33Å; L645-R647 PolarHBondContact O-N 3.07Å; R647-L650 PolarHBondContact O-N 2.82Å; R647-L651 VanDerWaalsContact O-CG 3.29Å; R647-L651 WeakPolarHBondContact O-CG 3.3Å; R647-L651 PolarHBondContact O-N 3.22Å |
| 648 | N | 93.5 | Very high | 93.6 | Very high | 39 Ų | 39 | 57.8 Ų | 57.8 | 21% | 0.209 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.5 | -47.5 | 175.7 | -177.7 | 36.6 | 0 | 0 | 0 | 110.8 | L644 L645 Y646 L650 L651 Q652 | L644-N648 PolarHBondContact O-N 3.34Å; L645-N648 PolarHBondContact O-N 3.17Å; L645-N648 VanDerWaalsContact O-N 3.17Å; Y646-N648 VanDerWaalsContact C-N 3.35Å; Y646-N648 PolarHBondContact O-N 2.98Å; N648-L650 PolarHBondContact O-N 3.2Å; N648-L651 WeakPolarHBondContact O-CB 3.48Å; N648-L651 PolarHBondContact O-N 3.45Å; N648-Q652 VanDerWaalsContact O-CG 3.3Å; N648-Q652 WeakPolarHBondContact O-CG 3.37Å; N648-Q652 PolarHBondContact O-N 3.13Å |
| 649 | F | 94.7 | Very high | 93.6 | Very high | 1 Ų | 1 | 56.9 Ų | 56.9 | 0% | 0.004 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.3 | -43.7 | -179.1 | -75.8 | 17.6 | 0 | 0 | 0 | 111.7 | Y622 L626 L645 Y646 L651 Q652 L653 Y664 I667 I668 L675 | Y622-F649 HydrophobicContact CD1-CZ 4.14Å; Y622-F649 HydrophobicContact CE1-CE1 4.27Å; Y622-F649 AromaticContact CE1-CZ 3.6Å; Y622-F649 HydrophobicContact CE1-CZ 3.6Å; Y622-F649 HydrophobicContact CE2-CE1 4.49Å; Y622-F649 HydrophobicContact CE2-CZ 4.28Å; Y622-F649 AromaticContact CZ-CE1 3.9Å; Y622-F649 AromaticContact CZ-CZ 3.66Å; L626-F649 HydrophobicContact CD1-CE2 4.17Å; L626-F649 HydrophobicContact CD1-CZ 4.48Å; L645-F649 WeakPolarHBondContact O-CD1 3.24Å; L645-F649 PolarHBondContact O-N 3.23Å; Y646-F649 PolarHBondContact O-N 2.92Å; F649-L651 VanDerWaalsContact C-N 3.32Å; F649-L651 PolarHBondContact O-N 3.41Å; F649-Q652 PolarHBondContact O-N 3Å; F649-L653 PolarHBondContact O-N 3.41Å; F649-L653 VanDerWaalsContact O-N 3.13Å; F649-Y664 HydrophobicContact CB-CD1 4.42Å; F649-Y664 AromaticContact CD1-CD1 3.88Å; F649-Y664 HydrophobicContact CD1-CD1 3.88Å; F649-Y664 AromaticContact CD1-CE1 3.62Å; F649-Y664 HydrophobicContact CD1-CE1 3.62Å; F649-Y664 HydrophobicContact CE1-CD1 4.27Å; F649-Y664 AromaticContact CE1-CE1 3.81Å; F649-Y664 HydrophobicContact CE1-CE1 3.81Å; F649-Y664 HydrophobicContact CG-CD1 4.03Å; F649-Y664 HydrophobicContact CG-CE1 4.25Å; F649-I667 HydrophobicContact CD2-CG2 4.48Å; F649-I667 HydrophobicContact CE2-CG2 3.61Å; F649-I667 HydrophobicContact CZ-CG2 4.08Å; F649-I668 HydrophobicContact CB-CD1 4.24Å; F649-I668 HydrophobicContact CB-CG1 4.47Å; F649-I668 HydrophobicContact CD2-CG1 3.91Å; F649-L675 HydrophobicContact CD2-CD2 3.76Å; F649-L675 HydrophobicContact CE2-CD2 3.74Å |
| 650 | L | 93.1 | Very high | 93.8 | Very high | 47 Ų | 47 | 55.6 Ų | 55.6 | 25% | 0.246 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.7 | -40 | 176.5 | -170.8 | 65.6 | 0 | 0 | 0 | 112.1 | Y646 R647 N648 Q652 L653 T686 | Y646-L650 HydrophobicContact CE1-CD2 4.35Å; Y646-L650 WeakPolarHBondContact O-CB 3.21Å; Y646-L650 PolarHBondContact O-N 3.42Å; R647-L650 PolarHBondContact O-N 2.82Å; N648-L650 PolarHBondContact O-N 3.2Å; L650-Q652 VanDerWaalsContact C-N 3.3Å; L650-Q652 PolarHBondContact O-N 3.01Å; L650-L653 HydrophobicContact CD1-CD1 4.46Å; L650-L653 PolarHBondContact O-N 2.95Å; L650-T686 HydrophobicContact CD1-CG2 4.14Å |
| 651 | L | 93.8 | Very high | 93.9 | Very high | 122 Ų | 122 | 53.1 Ų | 53.1 | 64% | 0.639 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -61.9 | -38.2 | 173.4 | -72.4 | 169.4 | 0 | 0 | 0 | 112 | R647 N648 F649 L653 N654 | R647-L651 VanDerWaalsContact O-CG 3.29Å; R647-L651 WeakPolarHBondContact O-CG 3.3Å; R647-L651 PolarHBondContact O-N 3.22Å; N648-L651 WeakPolarHBondContact O-CB 3.48Å; N648-L651 PolarHBondContact O-N 3.45Å; F649-L651 VanDerWaalsContact C-N 3.32Å; F649-L651 PolarHBondContact O-N 3.41Å; L651-L653 VanDerWaalsContact C-N 3.29Å; L651-L653 PolarHBondContact O-N 2.85Å; L651-N654 PolarHBondContact O-N 3.49Å |
| 652 | Q | 94.5 | Very high | 94 | Very high | 43 Ų | 43 | 52 Ų | 52 | 20% | 0.201 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -72.6 | -19.9 | 179.8 | -59.5 | -66.6 | -28 | 0 | 0 | 113.1 | N648 F649 L650 N654 T655 Y664 | N648-Q652 VanDerWaalsContact O-CG 3.3Å; N648-Q652 WeakPolarHBondContact O-CG 3.37Å; N648-Q652 PolarHBondContact O-N 3.13Å; F649-Q652 PolarHBondContact O-N 3Å; L650-Q652 VanDerWaalsContact C-N 3.3Å; L650-Q652 PolarHBondContact O-N 3.01Å; Q652-N654 PolarHBondContact O-N 2.92Å; Q652-T655 WeakPolarHBondContact O-CB 3.23Å; Q652-T655 WeakPolarHBondContact O-CG2 3.25Å; Q652-T655 PolarHBondContact O-N 3.12Å; Q652-Y664 HydrophobicContact CB-CD1 4.02Å; Q652-Y664 HydrophobicContact CB-CD2 3.4Å; Q652-Y664 VanDerWaalsContact CB-CD2 3.4Å; Q652-Y664 HydrophobicContact CB-CE1 4.1Å; Q652-Y664 HydrophobicContact CB-CE2 3.52Å; Q652-Y664 HydrophobicContact CB-CG 3.68Å; Q652-Y664 HydrophobicContact CG-CD1 4.35Å; Q652-Y664 HydrophobicContact CG-CD2 3.99Å; Q652-Y664 HydrophobicContact CG-CE1 3.93Å; Q652-Y664 HydrophobicContact CG-CE2 3.54Å; Q652-Y664 HydrophobicContact CG-CG 4.39Å |
| 653 | L | 93.7 | Very high | 94.2 | Very high | 13 Ų | 13 | 51.4 Ų | 51.4 | 7% | 0.068 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.1 | -20.7 | 170.7 | -63.2 | -173.9 | 0 | 0 | 0 | 113 | F649 L650 L651 T655 L661 L665 I668 L683 T686 | F649-L653 PolarHBondContact O-N 3.41Å; F649-L653 VanDerWaalsContact O-N 3.13Å; L650-L653 HydrophobicContact CD1-CD1 4.46Å; L650-L653 PolarHBondContact O-N 2.95Å; L651-L653 VanDerWaalsContact C-N 3.29Å; L651-L653 PolarHBondContact O-N 2.85Å; L653-T655 VanDerWaalsContact C-N 3.29Å; L653-T655 PolarHBondContact O-N 2.93Å; L653-L661 HydrophobicContact CB-CD1 4.35Å; L653-L661 HydrophobicContact CD2-CD1 3.92Å; L653-L661 WeakPolarHBondContact O-CD1 3.23Å; L653-L665 HydrophobicContact CD2-CD2 3.77Å; L653-L665 HydrophobicContact CD2-CG 3.84Å; L653-I668 HydrophobicContact CD1-CD1 3.75Å; L653-I668 HydrophobicContact CD2-CD1 3.94Å; L653-I668 HydrophobicContact CG-CD1 4.03Å; L653-L683 HydrophobicContact CD1-CD1 4.31Å; L653-T686 HydrophobicContact CB-CG2 3.96Å; L653-T686 HydrophobicContact CD1-CG2 3.72Å |
| 654 | N | 91.6 | Very high | 94.3 | Very high | 119 Ų | 119 | 49.5 Ų | 49.5 | 64% | 0.636 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 17.4 | 175 | -72.6 | -50.9 | 0 | 0 | 0 | 113.8 | L651 Q652 | L651-N654 PolarHBondContact O-N 3.49Å; Q652-N654 PolarHBondContact O-N 2.92Å |
| 655 | T | 92.2 | Very high | 94.5 | Very high | 24 Ų | 24 | 44.8 Ų | 44.8 | 15% | 0.147 | 23% | 0.225 | C | C | . | . | trans | -68.2 | 163 | -174.8 | -169.2 | 0 | 0 | 0 | 0 | 114.6 | Q652 L653 S657 K660 L661 | Q652-T655 WeakPolarHBondContact O-CB 3.23Å; Q652-T655 WeakPolarHBondContact O-CG2 3.25Å; Q652-T655 PolarHBondContact O-N 3.12Å; L653-T655 VanDerWaalsContact C-N 3.29Å; L653-T655 PolarHBondContact O-N 2.93Å; T655-S657 VanDerWaalsContact CG2-O 3.26Å; T655-S657 WeakPolarHBondContact CG2-O 3.15Å; T655-S657 PolarHBondContact OG1-N 3.37Å; T655-K660 HydrophobicContact CG2-CB 3.73Å; T655-L661 HydrophobicContact CG2-CB 3.75Å | ||
| 656 | N | 91.8 | Very high | 94.7 | Very high | 130 Ų | 130 | 47.7 Ų | 47.7 | 70% | 0.695 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -96.3 | 12.8 | 173.2 | -70.4 | -31.8 | 0 | 0 | 0 | 113.1 | K696 | N656-K696 WeakPolarHBondContact OD1-CE 3.48Å; N656-K696 PolarHBondContact OD1-NZ 3.35Å |
| 657 | S | 93.5 | Very high | 94.8 | Very high | 40 Ų | 40 | 47.2 Ų | 47.2 | 28% | 0.28 | 24% | 0.237 | S | C | . | . | trans | -125.6 | 120.9 | -177.3 | 169.5 | 0 | 0 | 0 | 0 | 110.9 | T655 S659 K660 L661 | T655-S657 VanDerWaalsContact CG2-O 3.26Å; T655-S657 WeakPolarHBondContact CG2-O 3.15Å; T655-S657 PolarHBondContact OG1-N 3.37Å; S657-S659 VanDerWaalsContact C-N 3.31Å; S657-S659 PolarHBondContact O-N 2.96Å; S657-K660 PolarHBondContact O-N 3.45Å; S657-K660 PolarHBondContact OG-N 3.21Å; S657-L661 PolarHBondContact O-N 3.32Å | ||
| 658 | E | 94.5 | Very high | 94.9 | Very high | 44 Ų | 44 | 39.7 Ų | 39.7 | 21% | 0.206 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -54.8 | -46.3 | 174.9 | 178 | 174.5 | -162.1 | 0 | 0 | 112 | K660 L661 S662 W700 V701 D702 | E658-K660 VanDerWaalsContact C-N 3.34Å; E658-K660 PolarHBondContact O-N 2.97Å; E658-L661 PolarHBondContact O-N 2.96Å; E658-S662 VanDerWaalsContact O-CB 3.24Å; E658-S662 WeakPolarHBondContact O-CB 3.44Å; E658-S662 PolarHBondContact O-N 2.97Å; E658-W700 HydrophobicContact CB-CB 4.26Å; E658-W700 HydrophobicContact CB-CD2 3.82Å; E658-W700 HydrophobicContact CB-CE3 4.32Å; E658-W700 HydrophobicContact CB-CG 3.79Å; E658-W700 HydrophobicContact CG-CB 3.89Å; E658-W700 HydrophobicContact CG-CD2 4.39Å; E658-W700 HydrophobicContact CG-CG 3.98Å; E658-W700 WeakPolarHBondContact OE1-CA 3.23Å; E658-V701 PolarHBondContact OE1-N 3.5Å; E658-V701 VanDerWaalsContact OE1-N 3.15Å; E658-D702 PolarHBondContact OE1-N 3.25Å |
| 659 | S | 94.4 | Very high | 95 | Very high | 38 Ų | 38 | 38 Ų | 38 | 27% | 0.266 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -59.5 | -44.5 | 179.9 | -49.8 | 0 | 0 | 0 | 0 | 111.4 | Q615 S657 G663 | Q615-S659 PolarHBondContact NE2-O 3.36Å; S657-S659 VanDerWaalsContact C-N 3.31Å; S657-S659 PolarHBondContact O-N 2.96Å; S659-G663 PolarHBondContact O-N 3.34Å |
| 660 | K | 95.4 | Very high | 95 | Very high | 86 Ų | 86 | 40.6 Ų | 40.6 | 37% | 0.374 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.8 | -50.2 | 174.9 | -78.9 | -175.3 | 173.4 | -161.4 | 0 | 111.5 | T655 S657 E658 S662 G663 Y664 | T655-K660 HydrophobicContact CG2-CB 3.73Å; S657-K660 PolarHBondContact O-N 3.45Å; S657-K660 PolarHBondContact OG-N 3.21Å; E658-K660 VanDerWaalsContact C-N 3.34Å; E658-K660 PolarHBondContact O-N 2.97Å; K660-S662 PolarHBondContact O-N 3.46Å; K660-G663 PolarHBondContact O-N 3.48Å; K660-Y664 VanDerWaalsContact O-CD2 3.32Å; K660-Y664 WeakPolarHBondContact O-CD2 3.29Å; K660-Y664 PolarHBondContact O-N 3.09Å |
| 661 | L | 96.2 | Very high | 95.2 | Very high | 10 Ų | 10 | 38.4 Ų | 38.4 | 5% | 0.052 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.9 | -50.6 | -178.6 | 179.8 | 56.1 | 0 | 0 | 0 | 110.8 | L653 T655 S657 E658 G663 Y664 L665 W700 | L653-L661 HydrophobicContact CB-CD1 4.35Å; L653-L661 HydrophobicContact CD2-CD1 3.92Å; L653-L661 WeakPolarHBondContact O-CD1 3.23Å; T655-L661 HydrophobicContact CG2-CB 3.75Å; S657-L661 PolarHBondContact O-N 3.32Å; E658-L661 PolarHBondContact O-N 2.96Å; L661-G663 PolarHBondContact O-N 3.32Å; L661-Y664 PolarHBondContact O-N 2.79Å; L661-L665 HydrophobicContact CD1-CD1 3.77Å; L661-L665 HydrophobicContact CD1-CG 4.05Å; L661-L665 HydrophobicContact CG-CD1 3.75Å; L661-L665 HydrophobicContact CG-CG 4.47Å; L661-L665 WeakPolarHBondContact O-CB 3.49Å; L661-L665 WeakPolarHBondContact O-CD1 3.24Å; L661-L665 WeakPolarHBondContact O-CG 3.34Å; L661-L665 PolarHBondContact O-N 2.91Å; L661-W700 HydrophobicContact CD2-CE3 3.91Å; L661-W700 HydrophobicContact CD2-CZ3 3.9Å |
| 662 | S | 96 | Very high | 95.2 | Very high | 4 Ų | 4 | 33.8 Ų | 33.8 | 3% | 0.028 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -55.8 | -48.8 | 176.2 | 177 | 0 | 0 | 0 | 0 | 112.2 | E658 K660 L665 Q666 S706 | E658-S662 VanDerWaalsContact O-CB 3.24Å; E658-S662 WeakPolarHBondContact O-CB 3.44Å; E658-S662 PolarHBondContact O-N 2.97Å; K660-S662 PolarHBondContact O-N 3.46Å; S662-L665 PolarHBondContact O-N 2.97Å; S662-Q666 VanDerWaalsContact O-CG 3.31Å; S662-Q666 WeakPolarHBondContact O-CG 3.41Å; S662-Q666 PolarHBondContact O-N 3.35Å; S662-Q666 PolarHBondContact O-NE2 3.16Å; S662-Q666 PolarHBondContact OG-NE2 3.24Å; S662-Q666 VanDerWaalsContact OG-NE2 3.1Å; S662-S706 PolarHBondContact OG-OG 3.28Å |
| 663 | G | 97 | Very high | 95.1 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63 | -46.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V607 S659 K660 L661 Q666 I667 | V607-G663 VanDerWaalsContact CG1-C 3.4Å; S659-G663 PolarHBondContact O-N 3.34Å; K660-G663 PolarHBondContact O-N 3.48Å; L661-G663 PolarHBondContact O-N 3.32Å; G663-Q666 PolarHBondContact O-N 3.3Å; G663-I667 WeakPolarHBondContact O-CG1 3.48Å; G663-I667 PolarHBondContact O-N 3.3Å; G663-I667 VanDerWaalsContact O-N 3.09Å |
| 664 | Y | 97.6 | Very high | 95.1 | Very high | 6 Ų | 6 | 35.5 Ų | 35.5 | 2% | 0.024 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69 | -36.6 | 179.1 | -81.4 | -79.2 | 0 | 0 | 0 | 112.4 | V607 F649 Q652 K660 L661 Q666 I667 I668 | V607-Y664 HydrophobicContact CB-CD2 4.33Å; V607-Y664 HydrophobicContact CB-CE2 3.89Å; V607-Y664 HydrophobicContact CG1-CD1 4.26Å; V607-Y664 HydrophobicContact CG1-CD2 3.53Å; V607-Y664 HydrophobicContact CG1-CE1 4.34Å; V607-Y664 HydrophobicContact CG1-CE2 3.62Å; V607-Y664 HydrophobicContact CG1-CG 3.86Å; V607-Y664 HydrophobicContact CG2-CE1 4.42Å; V607-Y664 HydrophobicContact CG2-CE2 4.48Å; F649-Y664 HydrophobicContact CB-CD1 4.42Å; F649-Y664 AromaticContact CD1-CD1 3.88Å; F649-Y664 HydrophobicContact CD1-CD1 3.88Å; F649-Y664 AromaticContact CD1-CE1 3.62Å; F649-Y664 HydrophobicContact CD1-CE1 3.62Å; F649-Y664 HydrophobicContact CE1-CD1 4.27Å; F649-Y664 AromaticContact CE1-CE1 3.81Å; F649-Y664 HydrophobicContact CE1-CE1 3.81Å; F649-Y664 HydrophobicContact CG-CD1 4.03Å; F649-Y664 HydrophobicContact CG-CE1 4.25Å; Q652-Y664 HydrophobicContact CB-CD1 4.02Å; Q652-Y664 HydrophobicContact CB-CD2 3.4Å; Q652-Y664 VanDerWaalsContact CB-CD2 3.4Å; Q652-Y664 HydrophobicContact CB-CE1 4.1Å; Q652-Y664 HydrophobicContact CB-CE2 3.52Å; Q652-Y664 HydrophobicContact CB-CG 3.68Å; Q652-Y664 HydrophobicContact CG-CD1 4.35Å; Q652-Y664 HydrophobicContact CG-CD2 3.99Å; Q652-Y664 HydrophobicContact CG-CE1 3.93Å; Q652-Y664 HydrophobicContact CG-CE2 3.54Å; Q652-Y664 HydrophobicContact CG-CG 4.39Å; K660-Y664 VanDerWaalsContact O-CD2 3.32Å; K660-Y664 WeakPolarHBondContact O-CD2 3.29Å; K660-Y664 PolarHBondContact O-N 3.09Å; L661-Y664 PolarHBondContact O-N 2.79Å; Y664-Q666 VanDerWaalsContact C-N 3.35Å; Y664-Q666 PolarHBondContact O-N 3.14Å; Y664-I667 PolarHBondContact O-N 3.01Å; Y664-I668 WeakPolarHBondContact O-CB 3.21Å; Y664-I668 VanDerWaalsContact O-CG1 3.24Å; Y664-I668 WeakPolarHBondContact O-CG1 3.33Å; Y664-I668 PolarHBondContact O-N 3.03Å |
| 665 | L | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.9 | -44.7 | 173 | -74 | 165.8 | 0 | 0 | 0 | 111.6 | L653 L661 S662 I667 I668 G669 V687 A690 S703 A707 A710 | L653-L665 HydrophobicContact CD2-CD2 3.77Å; L653-L665 HydrophobicContact CD2-CG 3.84Å; L661-L665 HydrophobicContact CD1-CD1 3.77Å; L661-L665 HydrophobicContact CD1-CG 4.05Å; L661-L665 HydrophobicContact CG-CD1 3.75Å; L661-L665 HydrophobicContact CG-CG 4.47Å; L661-L665 WeakPolarHBondContact O-CB 3.49Å; L661-L665 WeakPolarHBondContact O-CD1 3.24Å; L661-L665 WeakPolarHBondContact O-CG 3.34Å; L661-L665 PolarHBondContact O-N 2.91Å; S662-L665 PolarHBondContact O-N 2.97Å; L665-I667 VanDerWaalsContact C-N 3.35Å; L665-I667 PolarHBondContact O-N 3.38Å; L665-I668 PolarHBondContact O-N 3.27Å; L665-G669 PolarHBondContact O-N 3.47Å; L665-V687 HydrophobicContact CD2-CG1 4.3Å; L665-V687 HydrophobicContact CD2-CG2 4.05Å; L665-A690 HydrophobicContact CD1-CB 4.29Å; L665-S703 WeakPolarHBondContact CD1-O 3.21Å; L665-A707 HydrophobicContact CD1-CB 3.77Å; L665-A707 HydrophobicContact CD2-CB 4.31Å; L665-A710 HydrophobicContact CB-CB 4.36Å; L665-A710 HydrophobicContact CD2-CB 4.45Å; L665-A710 VanDerWaalsContact O-CB 3.31Å; L665-A710 WeakPolarHBondContact O-CB 3.49Å |
| 666 | Q | 97.6 | Very high | 95.3 | Very high | 63 Ų | 63 | 28.8 Ų | 28.8 | 29% | 0.294 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -64.3 | -39.4 | 177.9 | -67.5 | 173 | 63.3 | 0 | 0 | 112.4 | V619 S662 G663 Y664 A670 S706 | V619-Q666 HydrophobicContact CB-CB 4.46Å; V619-Q666 HydrophobicContact CG1-CB 3.37Å; V619-Q666 HydrophobicContact CG1-CG 4.34Å; V619-Q666 HydrophobicContact CG2-CB 4.21Å; S662-Q666 VanDerWaalsContact O-CG 3.31Å; S662-Q666 WeakPolarHBondContact O-CG 3.41Å; S662-Q666 PolarHBondContact O-N 3.35Å; S662-Q666 PolarHBondContact O-NE2 3.16Å; S662-Q666 PolarHBondContact OG-NE2 3.24Å; S662-Q666 VanDerWaalsContact OG-NE2 3.1Å; G663-Q666 PolarHBondContact O-N 3.3Å; Y664-Q666 VanDerWaalsContact C-N 3.35Å; Y664-Q666 PolarHBondContact O-N 3.14Å; Q666-A670 PolarHBondContact O-N 3.05Å; Q666-S706 PolarHBondContact NE2-OG 2.97Å |
| 667 | I | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64 | -49.6 | 176.2 | -69 | 163.2 | 0 | 0 | 0 | 110.5 | V607 V619 Y622 L626 F649 G663 Y664 L665 G669 A670 A671 | V607-I667 HydrophobicContact CB-CD1 4.14Å; V607-I667 HydrophobicContact CG1-CD1 3.57Å; V607-I667 HydrophobicContact CG2-CD1 3.41Å; V607-I667 VanDerWaalsContact CG2-CD1 3.41Å; V619-I667 HydrophobicContact CB-CG1 4.42Å; V619-I667 HydrophobicContact CG1-CG1 4.45Å; V619-I667 HydrophobicContact CG2-CD1 4.49Å; V619-I667 HydrophobicContact CG2-CG1 4.16Å; Y622-I667 HydrophobicContact CD1-CG2 4.34Å; Y622-I667 HydrophobicContact CD2-CD1 3.58Å; Y622-I667 HydrophobicContact CD2-CG1 4.45Å; Y622-I667 HydrophobicContact CE2-CD1 4.36Å; Y622-I667 HydrophobicContact CG-CD1 3.99Å; Y622-I667 HydrophobicContact CG-CG1 4.39Å; Y622-I667 HydrophobicContact CG-CG2 4.06Å; L626-I667 HydrophobicContact CD1-CG2 4.29Å; F649-I667 HydrophobicContact CD2-CG2 4.48Å; F649-I667 HydrophobicContact CE2-CG2 3.61Å; F649-I667 HydrophobicContact CZ-CG2 4.08Å; G663-I667 WeakPolarHBondContact O-CG1 3.48Å; G663-I667 PolarHBondContact O-N 3.3Å; G663-I667 VanDerWaalsContact O-N 3.09Å; Y664-I667 PolarHBondContact O-N 3.01Å; L665-I667 VanDerWaalsContact C-N 3.35Å; L665-I667 PolarHBondContact O-N 3.38Å; I667-G669 VanDerWaalsContact C-N 3.32Å; I667-G669 PolarHBondContact O-N 3.31Å; I667-A670 CarbonylContact O-C 3.58Å; I667-A670 PolarHBondContact O-N 2.92Å; I667-A670 VanDerWaalsContact O-N 3.15Å; I667-A671 VanDerWaalsContact O-CB 3.28Å; I667-A671 WeakPolarHBondContact O-CB 3.28Å; I667-A671 PolarHBondContact O-N 3.23Å |
| 668 | I | 96.3 | Very high | 94.9 | Very high | 4 Ų | 4 | 26.7 Ų | 26.7 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60 | -44.4 | -179.7 | -70.1 | 169.4 | 0 | 0 | 0 | 110.6 | F649 L653 Y664 L665 A670 A671 L683 I714 | F649-I668 HydrophobicContact CB-CD1 4.24Å; F649-I668 HydrophobicContact CB-CG1 4.47Å; F649-I668 HydrophobicContact CD2-CG1 3.91Å; L653-I668 HydrophobicContact CD1-CD1 3.75Å; L653-I668 HydrophobicContact CD2-CD1 3.94Å; L653-I668 HydrophobicContact CG-CD1 4.03Å; Y664-I668 WeakPolarHBondContact O-CB 3.21Å; Y664-I668 VanDerWaalsContact O-CG1 3.24Å; Y664-I668 WeakPolarHBondContact O-CG1 3.33Å; Y664-I668 PolarHBondContact O-N 3.03Å; L665-I668 PolarHBondContact O-N 3.27Å; I668-A670 PolarHBondContact O-N 3.45Å; I668-A671 PolarHBondContact O-N 2.89Å; I668-L683 HydrophobicContact CD1-CD1 4.39Å; I668-L683 HydrophobicContact CG2-CD1 3.99Å; I668-L683 HydrophobicContact CG2-CD2 3.94Å; I668-L683 HydrophobicContact CG2-CG 4.47Å; I668-I714 HydrophobicContact CG2-CD1 3.85Å; I668-I714 HydrophobicContact CG2-CG1 4.33Å |
| 669 | G | 95.7 | Very high | 94.7 | Very high | 3 Ų | 3 | 27.3 Ų | 27.3 | 3% | 0.031 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.1 | -35.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L665 I667 E713 N717 | L665-G669 PolarHBondContact O-N 3.47Å; I667-G669 VanDerWaalsContact C-N 3.32Å; I667-G669 PolarHBondContact O-N 3.31Å; G669-E713 WeakPolarHBondContact O-CB 3.47Å; G669-N717 PolarHBondContact O-ND2 3.16Å; G669-N717 VanDerWaalsContact O-ND2 3.14Å |
| 670 | A | 96.1 | Very high | 94.5 | Very high | 56 Ų | 56 | 25.5 Ų | 25.5 | 46% | 0.463 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -94.6 | -6.6 | -180 | 0 | 0 | 0 | 0 | 0 | 114.4 | P623 Q666 I667 I668 | P623-A670 HydrophobicContact CB-CB 4.15Å; P623-A670 WeakPolarHBondContact CB-O 3.47Å; P623-A670 HydrophobicContact CG-CB 3.56Å; Q666-A670 PolarHBondContact O-N 3.05Å; I667-A670 CarbonylContact O-C 3.58Å; I667-A670 PolarHBondContact O-N 2.92Å; I667-A670 VanDerWaalsContact O-N 3.15Å; I668-A670 PolarHBondContact O-N 3.45Å |
| 671 | A | 95.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.008 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -73.2 | 151.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L626 I667 I668 L675 | L626-A671 HydrophobicContact CD1-CB 3.86Å; I667-A671 VanDerWaalsContact O-CB 3.28Å; I667-A671 WeakPolarHBondContact O-CB 3.28Å; I667-A671 PolarHBondContact O-N 3.23Å; I668-A671 PolarHBondContact O-N 2.89Å; A671-L675 HydrophobicContact CB-CB 4.48Å; A671-L675 HydrophobicContact CB-CD2 3.67Å |
| 672 | P | 93.9 | Very high | 93.8 | Very high | 25 Ų | 25 | 27.7 Ų | 27.7 | 16% | 0.162 | 18% | 0.179 | C | C | . | . | trans | -60.2 | 141.3 | 171.8 | 26.7 | -35 | 0 | 0 | 0 | 110.8 | L626 L630 S674 L675 | L626-P672 HydrophobicContact CB-CG 4.09Å; L630-P672 HydrophobicContact CD1-CG 3.92Å; P672-S674 PolarHBondContact O-N 3.32Å; P672-L675 WeakPolarHBondContact O-CB 3.46Å; P672-L675 PolarHBondContact O-N 3.46Å | ||
| 673 | N | 92.7 | Very high | 93.7 | Very high | 71 Ų | 71 | 27.5 Ų | 27.5 | 38% | 0.38 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -55.7 | -25.5 | -179.2 | 64.5 | 6.2 | 0 | 0 | 0 | 113.9 | L675 Y676 C677 N717 | N673-L675 PolarHBondContact O-N 3Å; N673-L675 VanDerWaalsContact O-N 3.14Å; N673-Y676 HydrophobicContact CB-CE2 4.08Å; N673-Y676 PolarHBondContact O-N 2.95Å; N673-Y676 VanDerWaalsContact O-N 3.16Å; N673-C677 PolarHBondContact O-N 2.74Å; N673-N717 PolarHBondContact ND2-O 2.66Å |
| 674 | S | 93.1 | Very high | 93.6 | Very high | 21 Ų | 21 | 27.7 Ų | 27.7 | 15% | 0.147 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -55.3 | -28.5 | 174.2 | -66.2 | 0 | 0 | 0 | 0 | 113 | Y631 K642 P672 Y676 | Y631-S674 PolarHBondContact OH-OG 2.94Å; K642-S674 WeakPolarHBondContact CE-O 3.32Å; K642-S674 VanDerWaalsContact CG-O 3.29Å; K642-S674 WeakPolarHBondContact CG-O 3.43Å; P672-S674 PolarHBondContact O-N 3.32Å; S674-Y676 PolarHBondContact O-N 2.77Å |
| 675 | L | 95 | Very high | 93.3 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -61.7 | -42.2 | 178 | 178 | 65.4 | 0 | 0 | 0 | 112.6 | L626 L630 K642 L645 F649 A671 P672 N673 | L626-L675 HydrophobicContact CD1-CD2 4.1Å; L626-L675 HydrophobicContact CD2-CD1 4.44Å; L630-L675 HydrophobicContact CD1-CB 4.27Å; L630-L675 HydrophobicContact CD1-CD1 4.49Å; L630-L675 HydrophobicContact CD2-CD1 4.43Å; K642-L675 WeakPolarHBondContact CE-O 3.15Å; L645-L675 HydrophobicContact CB-CD1 4.11Å; F649-L675 HydrophobicContact CD2-CD2 3.76Å; F649-L675 HydrophobicContact CE2-CD2 3.74Å; A671-L675 HydrophobicContact CB-CB 4.48Å; A671-L675 HydrophobicContact CB-CD2 3.67Å; P672-L675 WeakPolarHBondContact O-CB 3.46Å; P672-L675 PolarHBondContact O-N 3.46Å; N673-L675 PolarHBondContact O-N 3Å; N673-L675 VanDerWaalsContact O-N 3.14Å |
| 676 | Y | 93.2 | Very high | 93.1 | Very high | 1 Ų | 1 | 34 Ų | 34 | 0% | 0.004 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | 9.6 | -172.4 | 48.4 | -104.2 | 0 | 0 | 0 | 113.5 | N673 S674 G678 H679 V680 L683 I714 L718 | N673-Y676 HydrophobicContact CB-CE2 4.08Å; N673-Y676 PolarHBondContact O-N 2.95Å; N673-Y676 VanDerWaalsContact O-N 3.16Å; S674-Y676 PolarHBondContact O-N 2.77Å; Y676-G678 PolarHBondContact O-N 3.15Å; Y676-H679 PolarHBondContact O-N 3.42Å; Y676-V680 HydrophobicContact CD2-CG2 4.04Å; Y676-L683 HydrophobicContact CD1-CD2 3.76Å; Y676-L683 HydrophobicContact CD2-CD2 4.03Å; Y676-L683 HydrophobicContact CE1-CD2 4.42Å; Y676-L683 HydrophobicContact CG-CD2 3.54Å; Y676-I714 HydrophobicContact CE2-CG2 4.16Å; Y676-L718 HydrophobicContact CD2-CD2 4.47Å; Y676-L718 HydrophobicContact CE2-CD2 3.87Å; Y676-L718 HydrophobicContact CE2-CG 4.23Å |
| 677 | C | 88.4 | Confident | 93.1 | Very high | 71 Ų | 71 | 31 Ų | 31 | 48% | 0.48 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | 126.8 | 171.6 | -177.6 | 0 | 0 | 0 | 0 | 110.6 | K642 N673 | K642-C677 PolarHBondContact NZ-O 3.22Å; N673-C677 PolarHBondContact O-N 2.74Å |
| 678 | G | 88.4 | Confident | 93 | Very high | 54 Ų | 54 | 31.9 Ų | 31.9 | 56% | 0.557 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 87.4 | 0.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y676 | Y676-G678 PolarHBondContact O-N 3.15Š|
| 679 | H | 90.6 | Very high | 92.9 | Very high | 58 Ų | 58 | 35.1 Ų | 35.1 | 27% | 0.269 | 23% | 0.228 | S | C | . | . | trans | -135.1 | 25.4 | 179.3 | -59.3 | -64 | 0 | 0 | 0 | 112.9 | Y646 Y676 L683 | Y646-H679 HydrophobicContact CD1-CB 4.16Å; Y646-H679 AromaticContact CD1-CD2 3.34Å; Y646-H679 WeakPolarHBondContact CD1-CD2 3.18Å; Y646-H679 AromaticContact CD1-CG 3.84Å; Y646-H679 AromaticContact CD1-NE2 3.98Å; Y646-H679 HydrophobicContact CE1-CB 3.29Å; Y646-H679 AromaticContact CE1-CD2 3.35Å; Y646-H679 WeakPolarHBondContact CE1-CD2 3.26Å; Y646-H679 AromaticContact CE1-CG 3.31Å; Y646-H679 HydrophobicContact CE2-CB 4.21Å; Y646-H679 AromaticContact CZ-CG 3.92Å; Y646-H679 VanDerWaalsContact OH-CB 3.28Å; Y646-H679 WeakPolarHBondContact OH-CB 3.23Å; Y646-H679 PolarHBondContact OH-O 3.05Å; Y676-H679 PolarHBondContact O-N 3.42Å; H679-L683 WeakPolarHBondContact O-CB 3.44Å; H679-L683 PolarHBondContact O-N 3.22Å; H679-L683 VanDerWaalsContact O-N 3.12Å | ||
| 680 | V | 90.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.6 | -45.5 | -168.9 | 167.8 | 0 | 0 | 0 | 0 | 111.7 | Y676 D682 L683 L684 L718 E724 | Y676-V680 HydrophobicContact CD2-CG2 4.04Å; V680-D682 PolarHBondContact O-N 2.94Å; V680-L683 PolarHBondContact O-N 3.36Å; V680-L684 HydrophobicContact CG1-CD1 3.71Å; V680-L684 HydrophobicContact CG1-CG 4.14Å; V680-L684 WeakPolarHBondContact O-CG 3.43Å; V680-L684 PolarHBondContact O-N 2.96Å; V680-L718 HydrophobicContact CG1-CD1 3.47Å; V680-L718 VanDerWaalsContact CG1-CD1 3.47Å; V680-L718 HydrophobicContact CG1-CD2 4.37Å; V680-L718 HydrophobicContact CG2-CD1 4.26Å; V680-L718 HydrophobicContact CG2-CD2 3.64Å; V680-E724 HydrophobicContact CB-CB 4.21Å; V680-E724 VanDerWaalsContact CB-OE2 3.28Å; V680-E724 WeakPolarHBondContact CB-OE2 3.49Å; V680-E724 HydrophobicContact CG1-CB 4Å; V680-E724 PolarHBondContact N-OE2 3.03Å |
| 681 | A | 88.6 | Confident | 92.9 | Very high | 42 Ų | 42 | 33.8 Ų | 33.8 | 35% | 0.347 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -55.7 | -52.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | L683 L684 D685 E724 | A681-L683 VanDerWaalsContact C-N 3.27Å; A681-L683 PolarHBondContact O-N 3.34Å; A681-L684 PolarHBondContact O-N 3.36Å; A681-D685 PolarHBondContact O-N 3.44Å; A681-E724 PolarHBondContact N-OE2 2.86Å |
| 682 | D | 89.4 | Confident | 92.7 | Very high | 99 Ų | 99 | 39.5 Ų | 39.5 | 53% | 0.529 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.3 | -38.1 | 179.1 | -66.7 | -24.1 | 0 | 0 | 0 | 112 | V680 T686 | V680-D682 PolarHBondContact O-N 2.94Å; D682-T686 WeakPolarHBondContact O-CB 3.48Å; D682-T686 PolarHBondContact O-N 3.31Å; D682-T686 VanDerWaalsContact O-N 3.07Å; D682-T686 PolarHBondContact O-OG1 2.99Å |
| 683 | L | 94.2 | Very high | 92.6 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.2 | -49.3 | 177.7 | 179.4 | 60.4 | 0 | 0 | 0 | 111.3 | Y646 L653 I668 Y676 H679 V680 A681 D685 T686 V687 I714 | Y646-L683 HydrophobicContact CE2-CD1 4.5Å; L653-L683 HydrophobicContact CD1-CD1 4.31Å; I668-L683 HydrophobicContact CD1-CD1 4.39Å; I668-L683 HydrophobicContact CG2-CD1 3.99Å; I668-L683 HydrophobicContact CG2-CD2 3.94Å; I668-L683 HydrophobicContact CG2-CG 4.47Å; Y676-L683 HydrophobicContact CD1-CD2 3.76Å; Y676-L683 HydrophobicContact CD2-CD2 4.03Å; Y676-L683 HydrophobicContact CE1-CD2 4.42Å; Y676-L683 HydrophobicContact CG-CD2 3.54Å; H679-L683 WeakPolarHBondContact O-CB 3.44Å; H679-L683 PolarHBondContact O-N 3.22Å; H679-L683 VanDerWaalsContact O-N 3.12Å; V680-L683 PolarHBondContact O-N 3.36Å; A681-L683 VanDerWaalsContact C-N 3.27Å; A681-L683 PolarHBondContact O-N 3.34Å; L683-D685 VanDerWaalsContact C-N 3.32Å; L683-D685 PolarHBondContact O-N 2.78Å; L683-T686 PolarHBondContact O-N 3.18Å; L683-V687 HydrophobicContact CD1-CG2 3.96Å; L683-V687 HydrophobicContact CG-CG2 4.33Å; L683-V687 WeakPolarHBondContact O-CG2 3.24Å; L683-V687 PolarHBondContact O-N 3.23Å; L683-I714 HydrophobicContact CD2-CD1 3.99Å; L683-I714 HydrophobicContact CG-CD1 4.2Å |
| 684 | L | 93.4 | Very high | 92.5 | Very high | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.016 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.5 | -39.5 | -179.3 | -71.5 | 176.8 | 0 | 0 | 0 | 111.6 | V680 A681 T688 L711 I714 I715 L725 I729 | V680-L684 HydrophobicContact CG1-CD1 3.71Å; V680-L684 HydrophobicContact CG1-CG 4.14Å; V680-L684 WeakPolarHBondContact O-CG 3.43Å; V680-L684 PolarHBondContact O-N 2.96Å; A681-L684 PolarHBondContact O-N 3.36Å; L684-T688 WeakPolarHBondContact O-CB 3.28Å; L684-T688 PolarHBondContact O-N 3.12Å; L684-T688 PolarHBondContact O-OG1 3.33Å; L684-L711 HydrophobicContact CD2-CD1 3.82Å; L684-I714 HydrophobicContact CD2-CB 4.33Å; L684-I714 HydrophobicContact CD2-CG2 3.75Å; L684-I715 HydrophobicContact CD2-CG1 4.44Å; L684-L725 HydrophobicContact CD1-CD2 4.09Å; L684-I729 HydrophobicContact CD1-CD1 4.47Å; L684-I729 HydrophobicContact CD1-CG2 3.97Å |
| 685 | D | 92.2 | Very high | 92.4 | Very high | 110 Ų | 110 | 46.2 Ų | 46.2 | 59% | 0.588 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -62.7 | -44.4 | 174 | -80.4 | -14.4 | 0 | 0 | 0 | 111.6 | A681 L683 T688 S689 | A681-D685 PolarHBondContact O-N 3.44Å; L683-D685 VanDerWaalsContact C-N 3.32Å; L683-D685 PolarHBondContact O-N 2.78Å; D685-T688 PolarHBondContact O-N 3.1Å; D685-S689 PolarHBondContact O-N 2.81Å |
| 686 | T | 94.2 | Very high | 92.1 | Very high | 30 Ų | 30 | 51.4 Ų | 51.4 | 18% | 0.184 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.9 | -47.6 | 178.7 | -56.9 | 0 | 0 | 0 | 0 | 111.4 | L650 L653 D682 L683 S689 A690 | L650-T686 HydrophobicContact CD1-CG2 4.14Å; L653-T686 HydrophobicContact CB-CG2 3.96Å; L653-T686 HydrophobicContact CD1-CG2 3.72Å; D682-T686 WeakPolarHBondContact O-CB 3.48Å; D682-T686 PolarHBondContact O-N 3.31Å; D682-T686 VanDerWaalsContact O-N 3.07Å; D682-T686 PolarHBondContact O-OG1 2.99Å; L683-T686 PolarHBondContact O-N 3.18Å; T686-S689 PolarHBondContact O-N 2.87Å; T686-S689 PolarHBondContact O-OG 3.39Å; T686-A690 PolarHBondContact O-N 3.11Å |
| 687 | V | 96.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.4 | -40.9 | 178.4 | 174.7 | 0 | 0 | 0 | 0 | 111.2 | L665 L683 S689 A690 C691 A707 A710 L711 I714 | L665-V687 HydrophobicContact CD2-CG1 4.3Å; L665-V687 HydrophobicContact CD2-CG2 4.05Å; L683-V687 HydrophobicContact CD1-CG2 3.96Å; L683-V687 HydrophobicContact CG-CG2 4.33Å; L683-V687 WeakPolarHBondContact O-CG2 3.24Å; L683-V687 PolarHBondContact O-N 3.23Å; V687-S689 VanDerWaalsContact C-N 3.3Å; V687-S689 PolarHBondContact O-N 3.03Å; V687-A690 WeakPolarHBondContact O-CB 3.34Å; V687-A690 PolarHBondContact O-N 2.84Å; V687-A690 VanDerWaalsContact O-N 3.1Å; V687-C691 PolarHBondContact O-N 3.35Å; V687-C691 PolarHBondContact O-SG 3.48Å; V687-A707 WeakPolarHBondContact CG1-O 3.38Å; V687-A710 HydrophobicContact CG1-CB 4.15Å; V687-L711 HydrophobicContact CG1-CB 3.93Å; V687-L711 HydrophobicContact CG1-CD1 4.49Å; V687-I714 HydrophobicContact CG2-CD1 4.03Å |
| 688 | T | 95 | Very high | 92.2 | Very high | 18 Ų | 18 | 54.2 Ų | 54.2 | 11% | 0.11 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.5 | -42 | 174.5 | -71.1 | 0 | 0 | 0 | 0 | 111.6 | L684 D685 A690 C691 I736 | L684-T688 WeakPolarHBondContact O-CB 3.28Å; L684-T688 PolarHBondContact O-N 3.12Å; L684-T688 PolarHBondContact O-OG1 3.33Å; D685-T688 PolarHBondContact O-N 3.1Å; T688-A690 VanDerWaalsContact C-N 3.27Å; T688-A690 PolarHBondContact O-N 3.48Å; T688-C691 WeakPolarHBondContact O-CB 3.27Å; T688-C691 PolarHBondContact O-N 2.82Å; T688-I736 HydrophobicContact CG2-CD1 3.38Å |
| 689 | S | 93.9 | Very high | 92.5 | Very high | 71 Ų | 71 | 56.6 Ų | 56.6 | 50% | 0.497 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.8 | -36.6 | 176.4 | 82.6 | 0 | 0 | 0 | 0 | 112.2 | D685 T686 V687 C691 R692 | D685-S689 PolarHBondContact O-N 2.81Å; T686-S689 PolarHBondContact O-N 2.87Å; T686-S689 PolarHBondContact O-OG 3.39Å; V687-S689 VanDerWaalsContact C-N 3.3Å; V687-S689 PolarHBondContact O-N 3.03Å; S689-C691 VanDerWaalsContact C-N 3.31Å; S689-C691 PolarHBondContact O-N 2.95Å; S689-R692 PolarHBondContact O-N 3.3Å |
| 690 | A | 95.7 | Very high | 92.7 | Very high | 18 Ų | 18 | 55.7 Ų | 55.7 | 15% | 0.149 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -73 | -19.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L665 T686 V687 T688 R692 A707 | L665-A690 HydrophobicContact CD1-CB 4.29Å; T686-A690 PolarHBondContact O-N 3.11Å; V687-A690 WeakPolarHBondContact O-CB 3.34Å; V687-A690 PolarHBondContact O-N 2.84Å; V687-A690 VanDerWaalsContact O-N 3.1Å; T688-A690 VanDerWaalsContact C-N 3.27Å; T688-A690 PolarHBondContact O-N 3.48Å; A690-R692 PolarHBondContact O-N 2.95Å; A690-A707 HydrophobicContact CB-CB 3.84Å |
| 691 | C | 96.3 | Very high | 92.9 | Very high | 13 Ų | 13 | 55.7 Ų | 55.7 | 9% | 0.088 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69 | -24.2 | 173.7 | -62.7 | 0 | 0 | 0 | 0 | 112.2 | V687 T688 S689 A707 L708 I736 | V687-C691 PolarHBondContact O-N 3.35Å; V687-C691 PolarHBondContact O-SG 3.48Å; T688-C691 WeakPolarHBondContact O-CB 3.27Å; T688-C691 PolarHBondContact O-N 2.82Å; S689-C691 VanDerWaalsContact C-N 3.31Å; S689-C691 PolarHBondContact O-N 2.95Å; C691-A707 HydrophobicContact CB-CB 4.45Å; C691-A707 VanDerWaalsContact SG-C 3.57Å; C691-A707 VanDerWaalsContact SG-CB 3.58Å; C691-L708 HydrophobicContact CB-CD2 3.99Å; C691-I736 HydrophobicContact CB-CG2 3.59Å |
| 692 | R | 92.9 | Very high | 93.1 | Very high | 122 Ų | 122 | 57.6 Ų | 57.6 | 46% | 0.46 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -90.3 | 140.7 | -174.1 | -61.6 | 179 | -175.3 | 169.9 | 4.1 | 111.5 | S689 A690 | S689-R692 PolarHBondContact O-N 3.3Å; A690-R692 PolarHBondContact O-N 2.95Å |
| 693 | S | 91.1 | Very high | 93.5 | Very high | 65 Ų | 65 | 53 Ų | 53 | 46% | 0.455 | 29% | 0.285 | S | S | . | . | trans | -75.3 | 129 | 172.8 | -170.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 694 | T | 91.3 | Very high | 93.6 | Very high | 66 Ų | 66 | 53 Ų | 53 | 41% | 0.405 | 29% | 0.285 | S | S | . | . | trans | -117.6 | 168.9 | 173.3 | 70.4 | 0 | 0 | 0 | 0 | 110 | K696 T697 K698 | T694-K696 PolarHBondContact O-N 3.03Å; T694-K696 PolarHBondContact OG1-N 3.26Å; T694-T697 PolarHBondContact N-OG1 3.14Å; T694-T697 CarbonylContact O-C 3.58Å; T694-T697 PolarHBondContact O-N 2.95Å; T694-T697 PolarHBondContact OG1-N 3.03Å; T694-T697 VanDerWaalsContact OG1-N 3.07Å; T694-T697 PolarHBondContact OG1-OG1 3.25Å; T694-K698 WeakPolarHBondContact O-CA 3.48Å; T694-K698 PolarHBondContact O-N 3.11Å | ||
| 695 | S | 89.6 | Confident | 93.8 | Very high | 126 Ų | 126 | 53.2 Ų | 53.2 | 88% | 0.881 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -37.1 | 174.8 | 55.1 | 0 | 0 | 0 | 0 | 112.7 | ||
| 696 | K | 89.4 | Confident | 94.1 | Very high | 112 Ų | 112 | 48.6 Ų | 48.6 | 49% | 0.487 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -44.6 | 176.4 | -178.7 | -170.6 | 176.5 | -167.4 | 0 | 112.3 | N656 T694 | N656-K696 WeakPolarHBondContact OD1-CE 3.48Å; N656-K696 PolarHBondContact OD1-NZ 3.35Å; T694-K696 PolarHBondContact O-N 3.03Å; T694-K696 PolarHBondContact OG1-N 3.26Å |
| 697 | T | 92.5 | Very high | 94.2 | Very high | 20 Ų | 20 | 47.2 Ų | 47.2 | 12% | 0.123 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 12.5 | -172.1 | 63.7 | 0 | 0 | 0 | 0 | 113.1 | T694 F699 W700 R704 | T694-T697 PolarHBondContact N-OG1 3.14Å; T694-T697 CarbonylContact O-C 3.58Å; T694-T697 PolarHBondContact O-N 2.95Å; T694-T697 PolarHBondContact OG1-N 3.03Å; T694-T697 VanDerWaalsContact OG1-N 3.07Å; T694-T697 PolarHBondContact OG1-OG1 3.25Å; T697-F699 VanDerWaalsContact C-N 3.27Å; T697-F699 PolarHBondContact O-N 3.42Å; T697-F699 VanDerWaalsContact O-N 3.14Å; T697-W700 HydrophobicContact CG2-CD2 3.92Å; T697-W700 HydrophobicContact CG2-CE3 3.43Å; T697-W700 VanDerWaalsContact CG2-CE3 3.43Å; T697-W700 HydrophobicContact CG2-CH2 4.47Å; T697-W700 HydrophobicContact CG2-CZ3 3.75Å; T697-W700 WeakPolarHBondContact O-CB 3.47Å; T697-W700 PolarHBondContact O-N 2.9Å; T697-R704 PolarHBondContact O-NH1 3.44Å |
| 698 | K | 92 | Very high | 94.3 | Very high | 111 Ų | 111 | 47.2 Ų | 47.2 | 48% | 0.483 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | -46.9 | -173.3 | -176.2 | 178.3 | 179.4 | 178.7 | 0 | 112.8 | T694 R704 T745 | T694-K698 WeakPolarHBondContact O-CA 3.48Å; T694-K698 PolarHBondContact O-N 3.11Å; K698-R704 PolarHBondContact O-NH1 2.93Å; K698-R704 PolarHBondContact O-NH2 2.96Å; K698-T745 WeakPolarHBondContact O-CG2 3.45Å |
| 699 | F | 93.7 | Very high | 94.5 | Very high | 104 Ų | 104 | 52 Ų | 52 | 46% | 0.456 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 2.3 | -178.9 | -58.8 | -68.6 | 0 | 0 | 0 | 114.1 | T697 V701 T745 M746 D747 | T697-F699 VanDerWaalsContact C-N 3.27Å; T697-F699 PolarHBondContact O-N 3.42Å; T697-F699 VanDerWaalsContact O-N 3.14Å; F699-V701 PolarHBondContact O-N 2.88Å; F699-T745 HydrophobicContact CD1-CG2 3.88Å; F699-T745 HydrophobicContact CE1-CG2 4.33Å; F699-M746 WeakPolarHBondContact CE1-O 3.21Å; F699-D747 HydrophobicContact CD1-CB 4.36Å |
| 700 | W | 94.7 | Very high | 94.7 | Very high | 38 Ų | 38 | 48.7 Ų | 48.7 | 14% | 0.144 | 25% | 0.252 | C | S | . | . | trans | -82.8 | 57.5 | -175.7 | -64 | 0.7 | 0 | 0 | 0 | 113.1 | E658 L661 T697 D702 S703 R704 | E658-W700 HydrophobicContact CB-CB 4.26Å; E658-W700 HydrophobicContact CB-CD2 3.82Å; E658-W700 HydrophobicContact CB-CE3 4.32Å; E658-W700 HydrophobicContact CB-CG 3.79Å; E658-W700 HydrophobicContact CG-CB 3.89Å; E658-W700 HydrophobicContact CG-CD2 4.39Å; E658-W700 HydrophobicContact CG-CG 3.98Å; E658-W700 WeakPolarHBondContact OE1-CA 3.23Å; L661-W700 HydrophobicContact CD2-CE3 3.91Å; L661-W700 HydrophobicContact CD2-CZ3 3.9Å; T697-W700 HydrophobicContact CG2-CD2 3.92Å; T697-W700 HydrophobicContact CG2-CE3 3.43Å; T697-W700 VanDerWaalsContact CG2-CE3 3.43Å; T697-W700 HydrophobicContact CG2-CH2 4.47Å; T697-W700 HydrophobicContact CG2-CZ3 3.75Å; T697-W700 WeakPolarHBondContact O-CB 3.47Å; T697-W700 PolarHBondContact O-N 2.9Å; W700-D702 VanDerWaalsContact C-N 3.33Å; W700-D702 PolarHBondContact O-N 3.18Å; W700-S703 VanDerWaalsContact CB-OG 3.28Å; W700-S703 WeakPolarHBondContact CB-OG 3.48Å; W700-S703 PolarHBondContact O-N 2.8Å; W700-S703 PolarHBondContact O-OG 3.48Å; W700-R704 PolarHBondContact O-N 2.87Å; W700-R704 VanDerWaalsContact O-N 3.15Å | ||
| 701 | V | 94.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62 | -36.4 | -174.5 | -68 | 0 | 0 | 0 | 0 | 112.9 | E658 F699 R704 G705 T745 V752 L755 V756 | E658-V701 PolarHBondContact OE1-N 3.5Å; E658-V701 VanDerWaalsContact OE1-N 3.15Å; F699-V701 PolarHBondContact O-N 2.88Å; V701-R704 PolarHBondContact O-N 3.3Å; V701-G705 PolarHBondContact O-N 3.43Å; V701-T745 HydrophobicContact CG1-CG2 4.4Å; V701-V752 HydrophobicContact CG1-CB 4.25Å; V701-V752 HydrophobicContact CG1-CG2 3.92Å; V701-V752 HydrophobicContact CG2-CB 4.27Å; V701-L755 HydrophobicContact CG2-CD1 4.32Å; V701-V756 HydrophobicContact CB-CG2 3.84Å; V701-V756 HydrophobicContact CG1-CG2 4.1Å; V701-V756 WeakPolarHBondContact O-CG2 3.22Å |
| 702 | D | 93.7 | Very high | 94.8 | Very high | 82 Ų | 82 | 47.4 Ų | 47.4 | 44% | 0.439 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -70.8 | -37.6 | -176.9 | -68.4 | -42.4 | 0 | 0 | 0 | 110.6 | E658 W700 S706 | E658-D702 PolarHBondContact OE1-N 3.25Å; W700-D702 VanDerWaalsContact C-N 3.33Å; W700-D702 PolarHBondContact O-N 3.18Å; D702-S706 WeakPolarHBondContact O-CB 3.25Å; D702-S706 PolarHBondContact O-N 2.89Å; D702-S706 PolarHBondContact O-OG 3.46Å |
| 703 | S | 96.1 | Very high | 95 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.007 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.9 | -38.5 | 175.1 | 72.4 | 0 | 0 | 0 | 0 | 112.5 | L665 W700 S706 A707 | L665-S703 WeakPolarHBondContact CD1-O 3.21Å; W700-S703 VanDerWaalsContact CB-OG 3.28Å; W700-S703 WeakPolarHBondContact CB-OG 3.48Å; W700-S703 PolarHBondContact O-N 2.8Å; W700-S703 PolarHBondContact O-OG 3.48Å; S703-S706 PolarHBondContact O-N 3.31Å; S703-A707 WeakPolarHBondContact O-CB 3.44Å; S703-A707 PolarHBondContact O-N 3.23Å |
| 704 | R | 97.4 | Very high | 95.2 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.008 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.3 | -46.5 | 175.3 | -70.9 | -163 | -62.2 | -89 | 11.8 | 111.3 | T697 K698 W700 V701 S706 A707 L708 D743 T745 V756 | T697-R704 PolarHBondContact O-NH1 3.44Å; K698-R704 PolarHBondContact O-NH1 2.93Å; K698-R704 PolarHBondContact O-NH2 2.96Å; W700-R704 PolarHBondContact O-N 2.87Å; W700-R704 VanDerWaalsContact O-N 3.15Å; V701-R704 PolarHBondContact O-N 3.3Å; R704-S706 VanDerWaalsContact C-N 3.32Å; R704-S706 PolarHBondContact O-N 3.1Å; R704-A707 WeakPolarHBondContact O-CB 3.37Å; R704-A707 PolarHBondContact O-N 2.93Å; R704-A707 VanDerWaalsContact O-N 3.16Å; R704-L708 WeakPolarHBondContact O-CG 3.36Å; R704-L708 PolarHBondContact O-N 3.19Å; R704-D743 IonicContact CZ-OD2 2.66Å; R704-D743 IonicContact NE-OD2 3.91Å; R704-D743 PolarHBondContact NE-OD2 3.08Å; R704-D743 IonicContact NH2-OD1 3.56Å; R704-D743 PolarHBondContact NH2-OD1 2.65Å; R704-D743 IonicContact NH2-OD2 3.59Å; R704-D743 PolarHBondContact NH2-OD2 3.4Å; R704-T745 PolarHBondContact NH2-OG1 3.39Å; R704-V756 HydrophobicContact CB-CG1 4.34Å; R704-V756 HydrophobicContact CB-CG2 4.12Å |
| 705 | G | 97.2 | Very high | 95.3 | Very high | 7 Ų | 7 | 38 Ų | 38 | 7% | 0.072 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.6 | -45.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V701 A707 L708 K709 V759 | V701-G705 PolarHBondContact O-N 3.43Å; G705-A707 VanDerWaalsContact C-N 3.3Å; G705-A707 PolarHBondContact O-N 3.27Å; G705-L708 PolarHBondContact O-N 3.41Å; G705-K709 PolarHBondContact O-N 3.14Å; G705-K709 VanDerWaalsContact O-N 3.1Å; G705-V759 VanDerWaalsContact O-CG1 3.31Å; G705-V759 WeakPolarHBondContact O-CG1 3.34Å |
| 706 | S | 97.6 | Very high | 95.5 | Very high | 14 Ų | 14 | 35.6 Ų | 35.6 | 10% | 0.098 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.9 | -35.7 | 176.6 | -60.6 | 0 | 0 | 0 | 0 | 112.8 | S662 Q666 D702 S703 R704 A710 | S662-S706 PolarHBondContact OG-OG 3.28Å; Q666-S706 PolarHBondContact NE2-OG 2.97Å; D702-S706 WeakPolarHBondContact O-CB 3.25Å; D702-S706 PolarHBondContact O-N 2.89Å; D702-S706 PolarHBondContact O-OG 3.46Å; S703-S706 PolarHBondContact O-N 3.31Å; R704-S706 VanDerWaalsContact C-N 3.32Å; R704-S706 PolarHBondContact O-N 3.1Å; S706-A710 VanDerWaalsContact O-CB 3.25Å; S706-A710 WeakPolarHBondContact O-CB 3.34Å; S706-A710 PolarHBondContact O-N 3.37Å |
| 707 | A | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67 | -44.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | L665 V687 A690 C691 S703 R704 G705 K709 A710 L711 | L665-A707 HydrophobicContact CD1-CB 3.77Å; L665-A707 HydrophobicContact CD2-CB 4.31Å; V687-A707 WeakPolarHBondContact CG1-O 3.38Å; A690-A707 HydrophobicContact CB-CB 3.84Å; C691-A707 HydrophobicContact CB-CB 4.45Å; C691-A707 VanDerWaalsContact SG-C 3.57Å; C691-A707 VanDerWaalsContact SG-CB 3.58Å; S703-A707 WeakPolarHBondContact O-CB 3.44Å; S703-A707 PolarHBondContact O-N 3.23Å; R704-A707 WeakPolarHBondContact O-CB 3.37Å; R704-A707 PolarHBondContact O-N 2.93Å; R704-A707 VanDerWaalsContact O-N 3.16Å; G705-A707 VanDerWaalsContact C-N 3.3Å; G705-A707 PolarHBondContact O-N 3.27Å; A707-K709 VanDerWaalsContact C-N 3.32Å; A707-K709 PolarHBondContact O-N 3.41Å; A707-A710 PolarHBondContact O-N 3.01Å; A707-L711 WeakPolarHBondContact O-CB 3.29Å; A707-L711 PolarHBondContact O-N 2.81Å |
| 708 | L | 98.5 | Very high | 95.6 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59 | -46.2 | 176.3 | -65.2 | 166.6 | 0 | 0 | 0 | 110.8 | C691 R704 G705 L711 V712 I736 L737 V756 V759 | C691-L708 HydrophobicContact CB-CD2 3.99Å; R704-L708 WeakPolarHBondContact O-CG 3.36Å; R704-L708 PolarHBondContact O-N 3.19Å; G705-L708 PolarHBondContact O-N 3.41Å; L708-L711 PolarHBondContact O-N 3.46Å; L708-V712 PolarHBondContact O-N 3.26Å; L708-I736 HydrophobicContact CD2-CG2 3.97Å; L708-L737 HydrophobicContact CB-CD2 4.41Å; L708-L737 HydrophobicContact CD2-CD2 3.88Å; L708-V756 HydrophobicContact CD1-CG1 3.78Å; L708-V759 HydrophobicContact CB-CG1 4.3Å |
| 709 | K | 97.9 | Very high | 95.4 | Very high | 119 Ų | 119 | 29.3 Ų | 29.3 | 52% | 0.517 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -63.8 | -46 | 177.1 | -169.9 | 177.4 | -179 | -175.7 | 0 | 111.4 | G705 A707 L711 V712 E713 V759 | G705-K709 PolarHBondContact O-N 3.14Å; G705-K709 VanDerWaalsContact O-N 3.1Å; A707-K709 VanDerWaalsContact C-N 3.32Å; A707-K709 PolarHBondContact O-N 3.41Å; K709-L711 VanDerWaalsContact C-N 3.31Å; K709-L711 PolarHBondContact O-N 3.39Å; K709-V712 PolarHBondContact O-N 2.86Å; K709-E713 HydrophobicContact CG-CG 4.21Å; K709-E713 VanDerWaalsContact O-CG 3.3Å; K709-E713 WeakPolarHBondContact O-CG 3.25Å; K709-E713 PolarHBondContact O-N 3.42Å; K709-V759 HydrophobicContact CB-CG1 4.48Å |
| 710 | A | 97.8 | Very high | 94.8 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.008 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.9 | -42.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L665 V687 S706 A707 V712 E713 I714 | L665-A710 HydrophobicContact CB-CB 4.36Å; L665-A710 HydrophobicContact CD2-CB 4.45Å; L665-A710 VanDerWaalsContact O-CB 3.31Å; L665-A710 WeakPolarHBondContact O-CB 3.49Å; V687-A710 HydrophobicContact CG1-CB 4.15Å; S706-A710 VanDerWaalsContact O-CB 3.25Å; S706-A710 WeakPolarHBondContact O-CB 3.34Å; S706-A710 PolarHBondContact O-N 3.37Å; A707-A710 PolarHBondContact O-N 3.01Å; A710-V712 PolarHBondContact O-N 3.23Å; A710-E713 PolarHBondContact O-N 3.36Å; A710-I714 WeakPolarHBondContact O-CB 3.42Å; A710-I714 VanDerWaalsContact O-CD1 3.28Å; A710-I714 WeakPolarHBondContact O-CD1 3.34Å; A710-I714 WeakPolarHBondContact O-CG1 3.4Å; A710-I714 PolarHBondContact O-N 3.05Å |
| 711 | L | 97.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.1 | -50 | 178.1 | -176.9 | 59.4 | 0 | 0 | 0 | 111.5 | L684 V687 A707 L708 K709 I715 T733 I736 | L684-L711 HydrophobicContact CD2-CD1 3.82Å; V687-L711 HydrophobicContact CG1-CB 3.93Å; V687-L711 HydrophobicContact CG1-CD1 4.49Å; A707-L711 WeakPolarHBondContact O-CB 3.29Å; A707-L711 PolarHBondContact O-N 2.81Å; L708-L711 PolarHBondContact O-N 3.46Å; K709-L711 VanDerWaalsContact C-N 3.31Å; K709-L711 PolarHBondContact O-N 3.39Å; L711-I715 HydrophobicContact CD1-CD1 4.33Å; L711-I715 HydrophobicContact CG-CD1 4.37Å; L711-I715 WeakPolarHBondContact O-CD1 3.28Å; L711-I715 WeakPolarHBondContact O-CG1 3.32Å; L711-I715 PolarHBondContact O-N 3.45Å; L711-T733 HydrophobicContact CD2-CG2 3.89Å; L711-T733 HydrophobicContact CG-CG2 4.11Å; L711-I736 HydrophobicContact CD2-CD1 4.49Å |
| 712 | V | 97.2 | Very high | 93.6 | Very high | 3 Ų | 3 | 33.8 Ų | 33.8 | 2% | 0.018 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68 | -43 | -179.9 | 175.8 | 0 | 0 | 0 | 0 | 111.9 | L708 K709 A710 I715 K716 L737 C763 | L708-V712 PolarHBondContact O-N 3.26Å; K709-V712 PolarHBondContact O-N 2.86Å; A710-V712 PolarHBondContact O-N 3.23Å; V712-I715 PolarHBondContact O-N 3.07Å; V712-K716 HydrophobicContact CG1-CD 3.9Å; V712-K716 HydrophobicContact CG1-CG 4.48Å; V712-K716 WeakPolarHBondContact O-CG 3.48Å; V712-K716 PolarHBondContact O-N 3.48Å; V712-L737 HydrophobicContact CG2-CD1 3.94Å; V712-L737 HydrophobicContact CG2-CD2 4.12Å; V712-C763 HydrophobicContact CG2-CB 3.86Å |
| 713 | E | 96.6 | Very high | 93.2 | Very high | 55 Ų | 55 | 35.3 Ų | 35.3 | 26% | 0.257 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -67.8 | -36.2 | 179.8 | -64.3 | -62.9 | 165.6 | 0 | 0 | 112.5 | G669 K709 A710 K716 N717 | G669-E713 WeakPolarHBondContact O-CB 3.47Å; K709-E713 HydrophobicContact CG-CG 4.21Å; K709-E713 VanDerWaalsContact O-CG 3.3Å; K709-E713 WeakPolarHBondContact O-CG 3.25Å; K709-E713 PolarHBondContact O-N 3.42Å; A710-E713 PolarHBondContact O-N 3.36Å; E713-K716 PolarHBondContact O-N 3.16Å; E713-N717 VanDerWaalsContact O-CB 3.24Å; E713-N717 WeakPolarHBondContact O-CB 3.21Å; E713-N717 PolarHBondContact O-N 2.87Å; E713-N717 PolarHBondContact O-ND2 3.35Å; E713-N717 VanDerWaalsContact O-ND2 3.15Å |
| 714 | I | 95.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.2 | -47.4 | 173.5 | -68 | 160.1 | 0 | 0 | 0 | 110.2 | I668 Y676 L683 L684 V687 A710 K716 N717 L718 | I668-I714 HydrophobicContact CG2-CD1 3.85Å; I668-I714 HydrophobicContact CG2-CG1 4.33Å; Y676-I714 HydrophobicContact CE2-CG2 4.16Å; L683-I714 HydrophobicContact CD2-CD1 3.99Å; L683-I714 HydrophobicContact CG-CD1 4.2Å; L684-I714 HydrophobicContact CD2-CB 4.33Å; L684-I714 HydrophobicContact CD2-CG2 3.75Å; V687-I714 HydrophobicContact CG2-CD1 4.03Å; A710-I714 WeakPolarHBondContact O-CB 3.42Å; A710-I714 VanDerWaalsContact O-CD1 3.28Å; A710-I714 WeakPolarHBondContact O-CD1 3.34Å; A710-I714 WeakPolarHBondContact O-CG1 3.4Å; A710-I714 PolarHBondContact O-N 3.05Å; I714-K716 VanDerWaalsContact C-N 3.32Å; I714-K716 PolarHBondContact O-N 3.35Å; I714-N717 PolarHBondContact O-N 3.31Å; I714-L718 HydrophobicContact CG2-CD1 3.83Å; I714-L718 HydrophobicContact CG2-CG 4.36Å; I714-L718 VanDerWaalsContact O-CG 3.25Å; I714-L718 WeakPolarHBondContact O-CG 3.2Å; I714-L718 PolarHBondContact O-N 3.16Å |
| 715 | I | 94.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.8 | -45.3 | 178.5 | -69.5 | 167 | 0 | 0 | 0 | 110.7 | L684 L711 V712 L718 G719 L725 L730 T733 Y767 F770 | L684-I715 HydrophobicContact CD2-CG1 4.44Å; L711-I715 HydrophobicContact CD1-CD1 4.33Å; L711-I715 HydrophobicContact CG-CD1 4.37Å; L711-I715 WeakPolarHBondContact O-CD1 3.28Å; L711-I715 WeakPolarHBondContact O-CG1 3.32Å; L711-I715 PolarHBondContact O-N 3.45Å; V712-I715 PolarHBondContact O-N 3.07Å; I715-L718 PolarHBondContact O-N 2.64Å; I715-G719 PolarHBondContact O-N 2.88Å; I715-L725 HydrophobicContact CG1-CD2 4.12Å; I715-L725 HydrophobicContact CG2-CD1 4.21Å; I715-L730 HydrophobicContact CG2-CD2 4.06Å; I715-T733 HydrophobicContact CD1-CG2 3.78Å; I715-Y767 HydrophobicContact CD1-CE2 4.21Å; I715-F770 HydrophobicContact CG2-CD1 4.07Å; I715-F770 HydrophobicContact CG2-CE1 3.58Å; I715-F770 HydrophobicContact CG2-CZ 3.83Å |
| 716 | K | 93.6 | Very high | 91.6 | Very high | 77 Ų | 77 | 42 Ų | 42 | 34% | 0.335 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.4 | -42.7 | 177.6 | -70.4 | 170.8 | 69.1 | -176.4 | 0 | 112.5 | V712 E713 I714 L718 G719 S766 F770 | V712-K716 HydrophobicContact CG1-CD 3.9Å; V712-K716 HydrophobicContact CG1-CG 4.48Å; V712-K716 WeakPolarHBondContact O-CG 3.48Å; V712-K716 PolarHBondContact O-N 3.48Å; E713-K716 PolarHBondContact O-N 3.16Å; I714-K716 VanDerWaalsContact C-N 3.32Å; I714-K716 PolarHBondContact O-N 3.35Å; K716-L718 VanDerWaalsContact C-N 3.34Å; K716-L718 PolarHBondContact O-N 2.92Å; K716-G719 PolarHBondContact O-N 2.74Å; K716-S766 PolarHBondContact NZ-OG 3.26Å; K716-F770 HydrophobicContact CB-CD2 4.49Å; K716-F770 HydrophobicContact CG-CB 4.32Å; K716-F770 HydrophobicContact CG-CD2 3.83Å; K716-F770 HydrophobicContact CG-CE2 4.49Å; K716-F770 HydrophobicContact CG-CG 4.23Å |
| 717 | N | 92.1 | Very high | 91.1 | Very high | 66 Ų | 66 | 44.4 Ų | 44.4 | 35% | 0.353 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -70.6 | -26.6 | -178.5 | -73.5 | -25.2 | 0 | 0 | 0 | 113.6 | G669 N673 E713 I714 | G669-N717 PolarHBondContact O-ND2 3.16Å; G669-N717 VanDerWaalsContact O-ND2 3.14Å; N673-N717 PolarHBondContact ND2-O 2.66Å; E713-N717 VanDerWaalsContact O-CB 3.24Å; E713-N717 WeakPolarHBondContact O-CB 3.21Å; E713-N717 PolarHBondContact O-N 2.87Å; E713-N717 PolarHBondContact O-ND2 3.35Å; E713-N717 VanDerWaalsContact O-ND2 3.15Å; I714-N717 PolarHBondContact O-N 3.31Å |
| 718 | L | 91.3 | Very high | 90.7 | Very high | 18 Ų | 18 | 49.5 Ų | 49.5 | 9% | 0.094 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -71.9 | -32.2 | 172.2 | -72.2 | 167.4 | 0 | 0 | 0 | 112.2 | Y676 V680 I714 I715 K716 H722 L725 | Y676-L718 HydrophobicContact CD2-CD2 4.47Å; Y676-L718 HydrophobicContact CE2-CD2 3.87Å; Y676-L718 HydrophobicContact CE2-CG 4.23Å; V680-L718 HydrophobicContact CG1-CD1 3.47Å; V680-L718 VanDerWaalsContact CG1-CD1 3.47Å; V680-L718 HydrophobicContact CG1-CD2 4.37Å; V680-L718 HydrophobicContact CG2-CD1 4.26Å; V680-L718 HydrophobicContact CG2-CD2 3.64Å; I714-L718 HydrophobicContact CG2-CD1 3.83Å; I714-L718 HydrophobicContact CG2-CG 4.36Å; I714-L718 VanDerWaalsContact O-CG 3.25Å; I714-L718 WeakPolarHBondContact O-CG 3.2Å; I714-L718 PolarHBondContact O-N 3.16Å; I715-L718 PolarHBondContact O-N 2.64Å; K716-L718 VanDerWaalsContact C-N 3.34Å; K716-L718 PolarHBondContact O-N 2.92Å; L718-H722 HydrophobicContact CB-CB 3.95Å; L718-L725 HydrophobicContact CB-CD1 4.03Å; L718-L725 HydrophobicContact CD1-CD1 4.46Å; L718-L725 HydrophobicContact CD1-CD2 4Å; L718-L725 HydrophobicContact CD1-CG 4.24Å |
| 719 | G | 87.3 | Confident | 90.3 | Very high | 27 Ų | 27 | 50.9 Ų | 50.9 | 28% | 0.278 | 28% | 0.281 | S | S | . | . | trans | 80.6 | 154.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | I715 K716 H721 H722 L725 | I715-G719 PolarHBondContact O-N 2.88Å; K716-G719 PolarHBondContact O-N 2.74Å; G719-H721 VanDerWaalsContact C-N 3.29Å; G719-H721 PolarHBondContact O-N 3.1Å; G719-H722 WeakPolarHBondContact O-CB 3.27Å; G719-H722 PolarHBondContact O-N 3.31Å; G719-L725 WeakPolarHBondContact O-CD1 3.38Å | ||
| 720 | A | 81.4 | Confident | 90 | Very high | 9 Ų | 9 | 45.3 Ų | 45.3 | 7% | 0.074 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -33.6 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | H722 F770 N774 Y776 | A720-H722 VanDerWaalsContact C-N 3.31Å; A720-H722 PolarHBondContact O-N 3.37Å; A720-F770 HydrophobicContact CB-CZ 4.23Å; A720-N774 HydrophobicContact CB-CB 3.52Å; A720-N774 WeakPolarHBondContact CB-OD1 3.14Å; A720-Y776 VanDerWaalsContact C-OH 3.24Å; A720-Y776 WeakPolarHBondContact CA-OH 3.49Å; A720-Y776 HydrophobicContact CB-CE2 3.74Å; A720-Y776 WeakPolarHBondContact CB-OH 3.19Å; A720-Y776 PolarHBondContact O-OH 3.46Å |
| 721 | H | 79.7 | Confident | 89.7 | Confident | 181 Ų | 181 | 52.6 Ų | 52.6 | 84% | 0.838 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | 15.7 | -175.5 | -54.7 | -54.7 | 0 | 0 | 0 | 113.8 | G719 S723 | G719-H721 VanDerWaalsContact C-N 3.29Å; G719-H721 PolarHBondContact O-N 3.1Å; H721-S723 PolarHBondContact O-N 3.24Å |
| 722 | H | 86.1 | Confident | 89.5 | Confident | 47 Ų | 47 | 54.9 Ų | 54.9 | 22% | 0.218 | 30% | 0.304 | C | S | . | . | trans | -67.3 | 129.4 | 177.2 | -165 | -85 | 0 | 0 | 0 | 111 | L718 G719 A720 E724 L725 | L718-H722 HydrophobicContact CB-CB 3.95Å; G719-H722 WeakPolarHBondContact O-CB 3.27Å; G719-H722 PolarHBondContact O-N 3.31Å; A720-H722 VanDerWaalsContact C-N 3.31Å; A720-H722 PolarHBondContact O-N 3.37Å; H722-E724 PolarHBondContact ND1-N 3.4Å; H722-E724 PolarHBondContact O-N 3.19Å; H722-L725 HydrophobicContact CB-CD1 4.19Å; H722-L725 HydrophobicContact CB-CG 4.2Å; H722-L725 PolarHBondContact O-N 2.95Å | ||
| 723 | S | 84.6 | Confident | 89.4 | Confident | 114 Ų | 114 | 54.8 Ų | 54.8 | 80% | 0.797 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -25.7 | -171.1 | 52.9 | 0 | 0 | 0 | 0 | 115 | H721 | H721-S723 PolarHBondContact O-N 3.24Š|
| 724 | E | 84.3 | Confident | 89.3 | Confident | 58 Ų | 58 | 52.4 Ų | 52.4 | 27% | 0.271 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -9.7 | 179.3 | -65.5 | -173.8 | -127.4 | 0 | 0 | 113.9 | V680 A681 H722 N726 I729 | V680-E724 HydrophobicContact CB-CB 4.21Å; V680-E724 VanDerWaalsContact CB-OE2 3.28Å; V680-E724 WeakPolarHBondContact CB-OE2 3.49Å; V680-E724 HydrophobicContact CG1-CB 4Å; V680-E724 PolarHBondContact N-OE2 3.03Å; A681-E724 PolarHBondContact N-OE2 2.86Å; H722-E724 PolarHBondContact ND1-N 3.4Å; H722-E724 PolarHBondContact O-N 3.19Å; E724-N726 PolarHBondContact O-N 3.06Å; E724-N726 VanDerWaalsContact O-N 3.14Å; E724-I729 WeakPolarHBondContact O-CD1 3.39Å |
| 725 | L | 86.3 | Confident | 89.3 | Confident | 16 Ų | 16 | 59.1 Ų | 59.1 | 8% | 0.084 | 32% | 0.319 | C | S | . | . | trans | -85.2 | 81.9 | 175.1 | -67.8 | -178.3 | 0 | 0 | 0 | 110.5 | L684 I715 L718 G719 H722 | L684-L725 HydrophobicContact CD1-CD2 4.09Å; I715-L725 HydrophobicContact CG1-CD2 4.12Å; I715-L725 HydrophobicContact CG2-CD1 4.21Å; L718-L725 HydrophobicContact CB-CD1 4.03Å; L718-L725 HydrophobicContact CD1-CD1 4.46Å; L718-L725 HydrophobicContact CD1-CD2 4Å; L718-L725 HydrophobicContact CD1-CG 4.24Å; G719-L725 WeakPolarHBondContact O-CD1 3.38Å; H722-L725 HydrophobicContact CB-CD1 4.19Å; H722-L725 HydrophobicContact CB-CG 4.2Å; H722-L725 PolarHBondContact O-N 2.95Å | ||
| 726 | N | 87.1 | Confident | 89.4 | Confident | 77 Ų | 77 | 59.4 Ų | 59.4 | 41% | 0.412 | 32% | 0.32 | S | S | . | . | trans | -85.8 | 161.9 | 176 | 66.9 | 42.5 | 0 | 0 | 0 | 112.7 | E724 T728 I729 L730 | E724-N726 PolarHBondContact O-N 3.06Å; E724-N726 VanDerWaalsContact O-N 3.14Å; N726-T728 PolarHBondContact O-N 2.9Å; N726-T728 VanDerWaalsContact O-N 3.15Å; N726-T728 WeakPolarHBondContact OD1-CB 3.38Å; N726-T728 PolarHBondContact OD1-N 3.01Å; N726-I729 PolarHBondContact O-N 3.27Å; N726-I729 VanDerWaalsContact O-N 3.15Å; N726-I729 WeakPolarHBondContact OD1-CG1 3.4Å; N726-I729 PolarHBondContact OD1-N 3.06Å; N726-L730 PolarHBondContact O-N 3.2Å | ||
| 727 | A | 86.7 | Confident | 89.6 | Confident | 63 Ų | 63 | 55.7 Ų | 55.7 | 52% | 0.521 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -56 | -31.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | K731 L779 | A727-K731 VanDerWaalsContact O-CB 3.27Å; A727-K731 WeakPolarHBondContact O-CB 3.36Å; A727-K731 PolarHBondContact O-N 3.37Å; A727-L779 HydrophobicContact CB-CD2 4.17Å |
| 728 | T | 88.8 | Confident | 89.8 | Confident | 108 Ų | 108 | 53.1 Ų | 53.1 | 66% | 0.663 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -65.8 | -44.6 | 178.5 | -52.1 | 0 | 0 | 0 | 0 | 111.9 | N726 S732 | N726-T728 PolarHBondContact O-N 2.9Å; N726-T728 VanDerWaalsContact O-N 3.15Å; N726-T728 WeakPolarHBondContact OD1-CB 3.38Å; N726-T728 PolarHBondContact OD1-N 3.01Å; T728-S732 WeakPolarHBondContact O-CB 3.28Å; T728-S732 PolarHBondContact O-N 2.97Å; T728-S732 PolarHBondContact O-OG 3.12Å |
| 729 | I | 89.9 | Confident | 90.1 | Very high | 30 Ų | 30 | 56.8 Ų | 56.8 | 15% | 0.154 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.3 | -43.6 | 178.2 | -70.4 | 166.8 | 0 | 0 | 0 | 110.6 | L684 E724 N726 S732 T733 | L684-I729 HydrophobicContact CD1-CD1 4.47Å; L684-I729 HydrophobicContact CD1-CG2 3.97Å; E724-I729 WeakPolarHBondContact O-CD1 3.39Å; N726-I729 PolarHBondContact O-N 3.27Å; N726-I729 VanDerWaalsContact O-N 3.15Å; N726-I729 WeakPolarHBondContact OD1-CG1 3.4Å; N726-I729 PolarHBondContact OD1-N 3.06Å; I729-S732 PolarHBondContact O-N 2.71Å; I729-S732 PolarHBondContact O-OG 2.94Å; I729-T733 WeakPolarHBondContact O-CB 3.43Å; I729-T733 PolarHBondContact O-N 3.28Å; I729-T733 PolarHBondContact O-OG1 3.18Å |
| 730 | L | 91.7 | Very high | 90.6 | Very high | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65 | -43.7 | 178.3 | -64.9 | 174.8 | 0 | 0 | 0 | 111 | I715 N726 S732 T733 C734 Y767 Y776 L779 | I715-L730 HydrophobicContact CG2-CD2 4.06Å; N726-L730 PolarHBondContact O-N 3.2Å; L730-S732 PolarHBondContact O-N 3.16Å; L730-T733 WeakPolarHBondContact O-CB 3.47Å; L730-T733 PolarHBondContact O-N 3.41Å; L730-C734 PolarHBondContact O-N 3.49Å; L730-Y767 VanDerWaalsContact CA-OH 3.22Å; L730-Y767 WeakPolarHBondContact CA-OH 3.34Å; L730-Y767 WeakPolarHBondContact CB-OH 3.36Å; L730-Y767 HydrophobicContact CD2-CE2 4.32Å; L730-Y767 PolarHBondContact O-OH 3.13Å; L730-Y776 HydrophobicContact CD1-CD1 4.1Å; L730-Y776 HydrophobicContact CD1-CE1 3.65Å; L730-L779 HydrophobicContact CB-CD1 3.55Å; L730-L779 HydrophobicContact CD1-CD1 3.58Å; L730-L779 HydrophobicContact CG-CD1 4.21Å |
| 731 | K | 92 | Very high | 91.3 | Very high | 154 Ų | 154 | 55.7 Ų | 55.7 | 67% | 0.67 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -64.4 | -42.1 | 176.8 | -167.7 | 171.4 | -174.2 | 170.5 | 0 | 112.5 | A727 T733 C734 Y735 | A727-K731 VanDerWaalsContact O-CB 3.27Å; A727-K731 WeakPolarHBondContact O-CB 3.36Å; A727-K731 PolarHBondContact O-N 3.37Å; K731-T733 VanDerWaalsContact C-N 3.32Å; K731-T733 PolarHBondContact O-N 3.24Å; K731-C734 PolarHBondContact O-N 3.34Å; K731-Y735 PolarHBondContact O-N 3.11Å |
| 732 | S | 92.9 | Very high | 92.1 | Very high | 48 Ų | 48 | 50.2 Ų | 50.2 | 34% | 0.336 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.4 | -34.9 | 177.9 | 72.9 | 0 | 0 | 0 | 0 | 112.2 | T728 I729 L730 Y735 I736 | T728-S732 WeakPolarHBondContact O-CB 3.28Å; T728-S732 PolarHBondContact O-N 2.97Å; T728-S732 PolarHBondContact O-OG 3.12Å; I729-S732 PolarHBondContact O-N 2.71Å; I729-S732 PolarHBondContact O-OG 2.94Å; L730-S732 PolarHBondContact O-N 3.16Å; S732-Y735 PolarHBondContact O-N 3.44Å; S732-I736 WeakPolarHBondContact O-CD1 3.01Å; S732-I736 VanDerWaalsContact O-CG1 3.29Å; S732-I736 WeakPolarHBondContact O-CG1 3.33Å; S732-I736 PolarHBondContact O-N 2.74Å |
| 733 | T | 94.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.8 | -49.1 | 175.2 | -62.3 | 0 | 0 | 0 | 0 | 111 | L711 I715 I729 L730 K731 Y735 I736 L737 Y767 | L711-T733 HydrophobicContact CD2-CG2 3.89Å; L711-T733 HydrophobicContact CG-CG2 4.11Å; I715-T733 HydrophobicContact CD1-CG2 3.78Å; I729-T733 WeakPolarHBondContact O-CB 3.43Å; I729-T733 PolarHBondContact O-N 3.28Å; I729-T733 PolarHBondContact O-OG1 3.18Å; L730-T733 WeakPolarHBondContact O-CB 3.47Å; L730-T733 PolarHBondContact O-N 3.41Å; K731-T733 VanDerWaalsContact C-N 3.32Å; K731-T733 PolarHBondContact O-N 3.24Å; T733-Y735 VanDerWaalsContact C-N 3.31Å; T733-Y735 PolarHBondContact O-N 3.11Å; T733-I736 PolarHBondContact O-N 3.02Å; T733-I736 VanDerWaalsContact O-N 3.15Å; T733-L737 HydrophobicContact CG2-CD1 4.17Å; T733-L737 HydrophobicContact CG2-CG 4.38Å; T733-L737 WeakPolarHBondContact O-CG 3.28Å; T733-L737 PolarHBondContact O-N 2.89Å; T733-Y767 HydrophobicContact CG2-CD2 4.05Å; T733-Y767 HydrophobicContact CG2-CE1 4.44Å; T733-Y767 HydrophobicContact CG2-CE2 3.74Å |
| 734 | C | 95 | Very high | 92.9 | Very high | 6 Ų | 6 | 45.3 Ų | 45.3 | 4% | 0.041 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.5 | -45 | 177.9 | -171.5 | 0 | 0 | 0 | 0 | 112.2 | L730 K731 I736 L737 L738 Y767 M784 | L730-C734 PolarHBondContact O-N 3.49Å; K731-C734 PolarHBondContact O-N 3.34Å; C734-I736 VanDerWaalsContact C-N 3.32Å; C734-I736 PolarHBondContact O-N 3.27Å; C734-L737 PolarHBondContact O-N 2.93Å; C734-L738 PolarHBondContact O-N 2.84Å; C734-Y767 HydrophobicContact CB-CE1 3.91Å; C734-M784 HydrophobicContact CB-CE 4.14Å; C734-M784 HydrophobicContact CB-SD 4.16Å; C734-M784 WeakPolarHBondContact SG-CE 3.27Å; C734-M784 PolarHBondContact SG-SD 3.2Å |
| 735 | Y | 95.4 | Very high | 93.4 | Very high | 141 Ų | 141 | 43.4 Ų | 43.4 | 55% | 0.553 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -60.6 | -41.2 | 178.2 | 177.6 | -93.4 | 0 | 0 | 0 | 112.1 | K731 S732 T733 L738 Q739 | K731-Y735 PolarHBondContact O-N 3.11Å; S732-Y735 PolarHBondContact O-N 3.44Å; T733-Y735 VanDerWaalsContact C-N 3.31Å; T733-Y735 PolarHBondContact O-N 3.11Å; Y735-L738 PolarHBondContact O-N 3.33Å; Y735-Q739 VanDerWaalsContact O-CB 3.31Å; Y735-Q739 WeakPolarHBondContact O-CB 3.49Å; Y735-Q739 PolarHBondContact O-N 3.31Å |
| 736 | I | 96.6 | Very high | 93.6 | Very high | 5 Ų | 5 | 47.3 Ų | 47.3 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64 | -43.5 | 176.7 | -67.1 | 155.6 | 0 | 0 | 0 | 111 | T688 C691 L708 L711 S732 T733 C734 Q739 S740 | T688-I736 HydrophobicContact CG2-CD1 3.38Å; C691-I736 HydrophobicContact CB-CG2 3.59Å; L708-I736 HydrophobicContact CD2-CG2 3.97Å; L711-I736 HydrophobicContact CD2-CD1 4.49Å; S732-I736 WeakPolarHBondContact O-CD1 3.01Å; S732-I736 VanDerWaalsContact O-CG1 3.29Å; S732-I736 WeakPolarHBondContact O-CG1 3.33Å; S732-I736 PolarHBondContact O-N 2.74Å; T733-I736 PolarHBondContact O-N 3.02Å; T733-I736 VanDerWaalsContact O-N 3.15Å; C734-I736 VanDerWaalsContact C-N 3.32Å; C734-I736 PolarHBondContact O-N 3.27Å; I736-Q739 PolarHBondContact O-N 2.88Å; I736-S740 PolarHBondContact O-N 3.11Å |
| 737 | L | 97.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.1 | -45.6 | 177.6 | -64.5 | 179.9 | 0 | 0 | 0 | 111 | L708 V712 T733 C734 Q739 S740 L741 C763 L764 Y767 | L708-L737 HydrophobicContact CB-CD2 4.41Å; L708-L737 HydrophobicContact CD2-CD2 3.88Å; V712-L737 HydrophobicContact CG2-CD1 3.94Å; V712-L737 HydrophobicContact CG2-CD2 4.12Å; T733-L737 HydrophobicContact CG2-CD1 4.17Å; T733-L737 HydrophobicContact CG2-CG 4.38Å; T733-L737 WeakPolarHBondContact O-CG 3.28Å; T733-L737 PolarHBondContact O-N 2.89Å; C734-L737 PolarHBondContact O-N 2.93Å; L737-Q739 PolarHBondContact O-N 2.62Å; L737-S740 WeakPolarHBondContact O-CB 3.28Å; L737-S740 PolarHBondContact O-N 2.95Å; L737-S740 PolarHBondContact O-OG 3.42Å; L737-L741 WeakPolarHBondContact O-CD1 3.34Å; L737-C763 HydrophobicContact CD2-CB 3.7Å; L737-L764 HydrophobicContact CB-CB 4.42Å; L737-L764 HydrophobicContact CB-CD1 3.84Å; L737-L764 HydrophobicContact CD1-CD1 4.27Å; L737-Y767 HydrophobicContact CD1-CD1 3.86Å; L737-Y767 HydrophobicContact CD1-CD2 4.47Å; L737-Y767 HydrophobicContact CD1-CG 3.72Å |
| 738 | L | 97.2 | Very high | 93.8 | Very high | 11 Ų | 11 | 49 Ų | 49 | 6% | 0.058 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.9 | -44.4 | 174.5 | -77.1 | 169.7 | 0 | 0 | 0 | 112.3 | C734 Y735 S740 L741 L764 E787 V788 | C734-L738 PolarHBondContact O-N 2.84Å; Y735-L738 PolarHBondContact O-N 3.33Å; L738-S740 PolarHBondContact O-N 2.81Å; L738-L741 WeakPolarHBondContact O-CB 3.32Å; L738-L741 PolarHBondContact O-N 2.78Å; L738-L741 VanDerWaalsContact O-N 3.13Å; L738-L764 HydrophobicContact CD2-CD2 3.86Å; L738-L764 HydrophobicContact CG-CD1 4.46Å; L738-E787 HydrophobicContact CD1-CB 4.28Å; L738-E787 HydrophobicContact CD1-CG 4.09Å; L738-E787 HydrophobicContact CD2-CG 4.14Å; L738-V788 HydrophobicContact CD2-CB 4.45Å; L738-V788 HydrophobicContact CD2-CG2 3.9Å |
| 739 | Q | 96.5 | Very high | 93.6 | Very high | 96 Ų | 96 | 51.9 Ų | 51.9 | 45% | 0.449 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.9 | -33.4 | 177 | -172.6 | 178.5 | 7.3 | 0 | 0 | 111.9 | Y735 I736 L737 L741 S742 | Y735-Q739 VanDerWaalsContact O-CB 3.31Å; Y735-Q739 WeakPolarHBondContact O-CB 3.49Å; Y735-Q739 PolarHBondContact O-N 3.31Å; I736-Q739 PolarHBondContact O-N 2.88Å; L737-Q739 PolarHBondContact O-N 2.62Å; Q739-L741 PolarHBondContact O-N 3.22Å; Q739-S742 WeakPolarHBondContact O-CB 3.1Å; Q739-S742 PolarHBondContact O-N 3.13Å |
| 740 | S | 97.4 | Very high | 93.6 | Very high | 10 Ų | 10 | 52 Ų | 52 | 7% | 0.07 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.3 | -26.1 | 179.8 | 80.2 | 0 | 0 | 0 | 0 | 113.9 | I736 L737 L738 S742 D743 R757 G760 | I736-S740 PolarHBondContact O-N 3.11Å; L737-S740 WeakPolarHBondContact O-CB 3.28Å; L737-S740 PolarHBondContact O-N 2.95Å; L737-S740 PolarHBondContact O-OG 3.42Å; L738-S740 PolarHBondContact O-N 2.81Å; S740-S742 PolarHBondContact O-N 2.76Å; S740-D743 WeakPolarHBondContact O-CB 3.41Å; S740-D743 PolarHBondContact O-N 3.35Å; S740-R757 WeakPolarHBondContact O-CG 3.38Å; S740-G760 VanDerWaalsContact OG-CA 3.23Å; S740-G760 WeakPolarHBondContact OG-CA 3.36Å |
| 741 | L | 97.5 | Very high | 93.6 | Very high | 3 Ų | 3 | 52.9 Ų | 52.9 | 2% | 0.016 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -11.9 | 174.8 | -83.2 | 63.4 | 0 | 0 | 0 | 112.5 | L737 L738 Q739 R757 M761 L764 I792 Q795 | L737-L741 WeakPolarHBondContact O-CD1 3.34Å; L738-L741 WeakPolarHBondContact O-CB 3.32Å; L738-L741 PolarHBondContact O-N 2.78Å; L738-L741 VanDerWaalsContact O-N 3.13Å; Q739-L741 PolarHBondContact O-N 3.22Å; L741-R757 WeakPolarHBondContact O-CD 3.1Å; L741-R757 WeakPolarHBondContact O-CG 3.43Å; L741-M761 HydrophobicContact CD1-CG 4.05Å; L741-M761 HydrophobicContact CD2-CG 3.89Å; L741-M761 HydrophobicContact CG-CG 3.84Å; L741-L764 HydrophobicContact CD2-CD2 4.49Å; L741-I792 HydrophobicContact CD2-CG1 4.13Å; L741-Q795 PolarHBondContact O-NE2 3.25Å |
| 742 | S | 94.9 | Very high | 93.7 | Very high | 66 Ų | 66 | 46 Ų | 46 | 46% | 0.462 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 12.7 | 175.5 | -59.4 | 0 | 0 | 0 | 0 | 113.4 | Q739 S740 Y744 | Q739-S742 WeakPolarHBondContact O-CB 3.1Å; Q739-S742 PolarHBondContact O-N 3.13Å; S740-S742 PolarHBondContact O-N 2.76Å; S742-Y744 VanDerWaalsContact O-CD2 3.31Å; S742-Y744 WeakPolarHBondContact O-CD2 3.37Å; S742-Y744 PolarHBondContact O-N 3.04Å; S742-Y744 VanDerWaalsContact O-N 3.15Å |
| 743 | D | 95.3 | Very high | 93.9 | Very high | 20 Ų | 20 | 43.7 Ų | 43.7 | 11% | 0.107 | 23% | 0.229 | C | C | . | . | trans | -78.1 | 96.3 | 175.2 | -164.4 | -33.4 | 0 | 0 | 0 | 111.3 | R704 S740 T745 G753 V756 R757 | R704-D743 IonicContact CZ-OD2 2.66Å; R704-D743 IonicContact NE-OD2 3.91Å; R704-D743 PolarHBondContact NE-OD2 3.08Å; R704-D743 IonicContact NH2-OD1 3.56Å; R704-D743 PolarHBondContact NH2-OD1 2.65Å; R704-D743 IonicContact NH2-OD2 3.59Å; R704-D743 PolarHBondContact NH2-OD2 3.4Å; S740-D743 WeakPolarHBondContact O-CB 3.41Å; S740-D743 PolarHBondContact O-N 3.35Å; D743-T745 WeakPolarHBondContact OD1-CB 3.36Å; D743-T745 PolarHBondContact OD1-N 2.84Å; D743-T745 VanDerWaalsContact OD1-N 3.07Å; D743-T745 PolarHBondContact OD1-OG1 2.63Å; D743-G753 CarbonylContact O-C 3.55Å; D743-G753 VanDerWaalsContact O-CA 3.29Å; D743-G753 WeakPolarHBondContact O-CA 3.44Å; D743-G753 WeakPolarHBondContact OD1-CA 3.5Å; D743-V756 HydrophobicContact CB-CB 4Å; D743-V756 HydrophobicContact CB-CG1 4.01Å; D743-R757 HydrophobicContact CB-CG 4.36Å; D743-R757 WeakPolarHBondContact O-CD 3.47Å; D743-R757 WeakPolarHBondContact O-CG 3.42Å; D743-R757 PolarHBondContact O-NE 3.45Å | ||
| 744 | Y | 93.9 | Very high | 94 | Very high | 37 Ų | 37 | 44 Ų | 44 | 15% | 0.145 | 23% | 0.231 | C | C | . | . | trans | -104.2 | 36.4 | 174.2 | -65.1 | -82.7 | 0 | 0 | 0 | 112.2 | S742 M746 Q794 Q795 E798 R923 | S742-Y744 VanDerWaalsContact O-CD2 3.31Å; S742-Y744 WeakPolarHBondContact O-CD2 3.37Å; S742-Y744 PolarHBondContact O-N 3.04Å; S742-Y744 VanDerWaalsContact O-N 3.15Å; Y744-M746 PolarHBondContact O-N 2.78Å; Y744-Q794 PolarHBondContact OH-NE2 2.99Å; Y744-Q795 PolarHBondContact OH-NE2 3.23Å; Y744-E798 PolarHBondContact OH-OE1 3.24Å; Y744-R923 VanDerWaalsContact CD1-NH1 3.25Å | ||
| 745 | T | 94.6 | Very high | 94 | Very high | 18 Ų | 18 | 46.3 Ų | 46.3 | 11% | 0.11 | 24% | 0.243 | C | C | . | . | trans | -58.2 | 126.8 | 176.3 | -59.6 | 0 | 0 | 0 | 0 | 110.4 | K698 F699 V701 R704 D743 V752 G753 | K698-T745 WeakPolarHBondContact O-CG2 3.45Å; F699-T745 HydrophobicContact CD1-CG2 3.88Å; F699-T745 HydrophobicContact CE1-CG2 4.33Å; V701-T745 HydrophobicContact CG1-CG2 4.4Å; R704-T745 PolarHBondContact NH2-OG1 3.39Å; D743-T745 WeakPolarHBondContact OD1-CB 3.36Å; D743-T745 PolarHBondContact OD1-N 2.84Å; D743-T745 VanDerWaalsContact OD1-N 3.07Å; D743-T745 PolarHBondContact OD1-OG1 2.63Å; T745-V752 HydrophobicContact CG2-CG2 4.01Å; T745-V752 VanDerWaalsContact O-CG2 3.29Å; T745-V752 WeakPolarHBondContact O-CG2 3.32Å; T745-V752 PolarHBondContact O-N 2.76Å; T745-G753 PolarHBondContact O-N 3.09Å | ||
| 746 | M | 91 | Very high | 94.1 | Very high | 99 Ų | 99 | 39.7 Ų | 39.7 | 49% | 0.488 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 140.3 | 177.3 | -63.5 | -173.1 | -65.7 | 0 | 0 | 111.8 | F699 Y744 G750 | F699-M746 WeakPolarHBondContact CE1-O 3.21Å; Y744-M746 PolarHBondContact O-N 2.78Å; M746-G750 CarbonylContact C-O 3.18Å; M746-G750 WeakPolarHBondContact CA-O 3.44Å |
| 747 | D | 89 | Confident | 94.2 | Very high | 47 Ų | 47 | 39.5 Ų | 39.5 | 25% | 0.251 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | -165.2 | 169.5 | 74.8 | 12.2 | 0 | 0 | 0 | 110.9 | F699 R749 G750 V752 | F699-D747 HydrophobicContact CD1-CB 4.36Å; D747-R749 PolarHBondContact O-N 3.48Å; D747-R749 VanDerWaalsContact O-N 3.14Å; D747-R749 WeakPolarHBondContact OD1-CA 3.35Å; D747-R749 WeakPolarHBondContact OD1-CB 3.37Å; D747-R749 PolarHBondContact OD1-N 2.85Å; D747-R749 IonicContact OD1-NE 2.83Å; D747-R749 PolarHBondContact OD1-NE 3.29Å; D747-R749 IonicContact OD2-CZ 3.33Å; D747-R749 VanDerWaalsContact OD2-CZ 3.29Å; D747-R749 IonicContact OD2-NE 3.18Å; D747-R749 PolarHBondContact OD2-NE 2.91Å; D747-R749 IonicContact OD2-NH2 3.75Å; D747-R749 PolarHBondContact OD2-NH2 3.49Å; D747-G750 PolarHBondContact N-O 3.36Å; D747-G750 PolarHBondContact O-N 3.36Å; D747-V752 HydrophobicContact CB-CG2 4.36Å; D747-V752 VanDerWaalsContact OD1-CG1 3.25Å; D747-V752 WeakPolarHBondContact OD1-CG1 3.49Å; D747-V752 WeakPolarHBondContact OD2-CG1 3.32Å |
| 748 | S | 88.9 | Confident | 94.3 | Very high | 129 Ų | 129 | 40 Ų | 40 | 90% | 0.902 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -16.5 | 179.4 | 55.7 | 0 | 0 | 0 | 0 | 114.7 | ||
| 749 | R | 84.7 | Confident | 94.3 | Very high | 168 Ų | 168 | 41.7 Ų | 41.7 | 63% | 0.634 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -7.7 | 175.2 | -54.8 | 172.4 | -73.3 | 176.2 | -5.4 | 112.3 | D747 V752 | D747-R749 PolarHBondContact O-N 3.48Å; D747-R749 VanDerWaalsContact O-N 3.14Å; D747-R749 WeakPolarHBondContact OD1-CA 3.35Å; D747-R749 WeakPolarHBondContact OD1-CB 3.37Å; D747-R749 PolarHBondContact OD1-N 2.85Å; D747-R749 IonicContact OD1-NE 2.83Å; D747-R749 PolarHBondContact OD1-NE 3.29Å; D747-R749 IonicContact OD2-CZ 3.33Å; D747-R749 VanDerWaalsContact OD2-CZ 3.29Å; D747-R749 IonicContact OD2-NE 3.18Å; D747-R749 PolarHBondContact OD2-NE 2.91Å; D747-R749 IonicContact OD2-NH2 3.75Å; D747-R749 PolarHBondContact OD2-NH2 3.49Å; R749-V752 HydrophobicContact CB-CG1 4.24Å |
| 750 | G | 89.1 | Confident | 94.4 | Very high | 31 Ų | 31 | 37.1 Ų | 37.1 | 32% | 0.32 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 102.9 | -139.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | M746 D747 V752 | M746-G750 CarbonylContact C-O 3.18Å; M746-G750 WeakPolarHBondContact CA-O 3.44Å; D747-G750 PolarHBondContact N-O 3.36Å; D747-G750 PolarHBondContact O-N 3.36Å; G750-V752 PolarHBondContact O-N 3.07Å; G750-V752 VanDerWaalsContact O-N 3.11Å |
| 751 | D | 92.4 | Very high | 94.4 | Very high | 22 Ų | 22 | 36.7 Ų | 36.7 | 12% | 0.118 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 88.1 | -176.2 | -176.4 | -7 | 0 | 0 | 0 | 111.8 | G753 S754 R757 I800 | D751-G753 PolarHBondContact OD1-N 3.26Å; D751-S754 WeakPolarHBondContact O-CB 3.31Å; D751-S754 PolarHBondContact O-OG 3.18Å; D751-S754 PolarHBondContact OD1-N 3.19Å; D751-R757 IonicContact OD1-NH2 3.47Å; D751-R757 IonicContact OD2-CZ 2.7Å; D751-R757 IonicContact OD2-NH2 3.57Å; D751-R757 PolarHBondContact OD2-NH2 3.2Å; D751-I800 HydrophobicContact CB-CD1 4.13Å |
| 752 | V | 94 | Very high | 94.5 | Very high | 9 Ų | 9 | 41.9 Ų | 41.9 | 6% | 0.055 | 23% | 0.227 | C | C | . | . | trans | -79.5 | -21.9 | 176.8 | -66 | 0 | 0 | 0 | 0 | 112.7 | V701 T745 D747 R749 G750 S754 L755 | V701-V752 HydrophobicContact CG1-CB 4.25Å; V701-V752 HydrophobicContact CG1-CG2 3.92Å; V701-V752 HydrophobicContact CG2-CB 4.27Å; T745-V752 HydrophobicContact CG2-CG2 4.01Å; T745-V752 VanDerWaalsContact O-CG2 3.29Å; T745-V752 WeakPolarHBondContact O-CG2 3.32Å; T745-V752 PolarHBondContact O-N 2.76Å; D747-V752 HydrophobicContact CB-CG2 4.36Å; D747-V752 VanDerWaalsContact OD1-CG1 3.25Å; D747-V752 WeakPolarHBondContact OD1-CG1 3.49Å; D747-V752 WeakPolarHBondContact OD2-CG1 3.32Å; R749-V752 HydrophobicContact CB-CG1 4.24Å; G750-V752 PolarHBondContact O-N 3.07Å; G750-V752 VanDerWaalsContact O-N 3.11Å; V752-S754 PolarHBondContact O-N 3.15Å; V752-L755 WeakPolarHBondContact O-CB 2.99Å; V752-L755 PolarHBondContact O-N 2.74Å; V752-L755 VanDerWaalsContact O-N 3.16Å | ||
| 753 | G | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -24.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | D743 T745 D751 L755 V756 R757 | D743-G753 CarbonylContact O-C 3.55Å; D743-G753 VanDerWaalsContact O-CA 3.29Å; D743-G753 WeakPolarHBondContact O-CA 3.44Å; D743-G753 WeakPolarHBondContact OD1-CA 3.5Å; T745-G753 PolarHBondContact O-N 3.09Å; D751-G753 PolarHBondContact OD1-N 3.26Å; G753-L755 PolarHBondContact O-N 3.47Å; G753-L755 VanDerWaalsContact O-N 3.08Å; G753-V756 WeakPolarHBondContact O-CA 3.5Å; G753-V756 WeakPolarHBondContact O-CB 3.24Å; G753-V756 PolarHBondContact O-N 3.14Å; G753-R757 PolarHBondContact O-N 2.88Å |
| 754 | S | 96.6 | Very high | 94.8 | Very high | 7 Ų | 7 | 38.2 Ų | 38.2 | 5% | 0.049 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -48.6 | -34.4 | 169.7 | 65.9 | 0 | 0 | 0 | 0 | 114 | D751 V752 R757 E758 | D751-S754 WeakPolarHBondContact O-CB 3.31Å; D751-S754 PolarHBondContact O-OG 3.18Å; D751-S754 PolarHBondContact OD1-N 3.19Å; V752-S754 PolarHBondContact O-N 3.15Å; S754-R757 PolarHBondContact O-N 3.37Å; S754-E758 WeakPolarHBondContact O-CB 3.4Å; S754-E758 VanDerWaalsContact O-CG 3.3Å; S754-E758 WeakPolarHBondContact O-CG 3.34Å; S754-E758 PolarHBondContact O-N 3.44Å |
| 755 | L | 95.8 | Very high | 95 | Very high | 54 Ų | 54 | 37.5 Ų | 37.5 | 28% | 0.283 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64.1 | -42.1 | 175 | -65.2 | 171.6 | 0 | 0 | 0 | 112.2 | V701 V752 G753 V759 | V701-L755 HydrophobicContact CG2-CD1 4.32Å; V752-L755 WeakPolarHBondContact O-CB 2.99Å; V752-L755 PolarHBondContact O-N 2.74Å; V752-L755 VanDerWaalsContact O-N 3.16Å; G753-L755 PolarHBondContact O-N 3.47Å; G753-L755 VanDerWaalsContact O-N 3.08Å; L755-V759 WeakPolarHBondContact O-CG2 3.37Å; L755-V759 PolarHBondContact O-N 3.4Å; L755-V759 VanDerWaalsContact O-N 3.09Å |
| 756 | V | 97.8 | Very high | 95.1 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.012 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.4 | -42.9 | 177.4 | -176.5 | 0 | 0 | 0 | 0 | 110 | V701 R704 L708 D743 G753 E758 V759 G760 | V701-V756 HydrophobicContact CB-CG2 3.84Å; V701-V756 HydrophobicContact CG1-CG2 4.1Å; V701-V756 WeakPolarHBondContact O-CG2 3.22Å; R704-V756 HydrophobicContact CB-CG1 4.34Å; R704-V756 HydrophobicContact CB-CG2 4.12Å; L708-V756 HydrophobicContact CD1-CG1 3.78Å; D743-V756 HydrophobicContact CB-CB 4Å; D743-V756 HydrophobicContact CB-CG1 4.01Å; G753-V756 WeakPolarHBondContact O-CA 3.5Å; G753-V756 WeakPolarHBondContact O-CB 3.24Å; G753-V756 PolarHBondContact O-N 3.14Å; V756-E758 PolarHBondContact O-N 3.47Å; V756-V759 PolarHBondContact O-N 3.1Å; V756-G760 PolarHBondContact O-N 2.67Å |
| 757 | R | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.5 | -42.9 | 178.1 | -62.8 | -171.5 | -74.6 | 147.5 | -9.6 | 112.3 | S740 L741 D743 D751 G753 S754 G760 M761 E798 | S740-R757 WeakPolarHBondContact O-CG 3.38Å; L741-R757 WeakPolarHBondContact O-CD 3.1Å; L741-R757 WeakPolarHBondContact O-CG 3.43Å; D743-R757 HydrophobicContact CB-CG 4.36Å; D743-R757 WeakPolarHBondContact O-CD 3.47Å; D743-R757 WeakPolarHBondContact O-CG 3.42Å; D743-R757 PolarHBondContact O-NE 3.45Å; D751-R757 IonicContact OD1-NH2 3.47Å; D751-R757 IonicContact OD2-CZ 2.7Å; D751-R757 IonicContact OD2-NH2 3.57Å; D751-R757 PolarHBondContact OD2-NH2 3.2Å; G753-R757 PolarHBondContact O-N 2.88Å; S754-R757 PolarHBondContact O-N 3.37Å; R757-G760 PolarHBondContact O-N 2.77Å; R757-M761 WeakPolarHBondContact O-CG 3.5Å; R757-M761 PolarHBondContact O-N 3.2Å; R757-E798 IonicContact CZ-OE2 3.44Å; R757-E798 IonicContact NH1-OE1 3.25Å; R757-E798 PolarHBondContact NH1-OE1 2.91Å; R757-E798 IonicContact NH1-OE2 2.74Å; R757-E798 PolarHBondContact NH1-OE2 3.36Å; R757-E798 IonicContact NH2-OE2 3.28Å; R757-E798 PolarHBondContact NH2-OE2 3.32Å |
| 758 | E | 98.4 | Very high | 95.7 | Very high | 12 Ų | 12 | 30.8 Ų | 30.8 | 6% | 0.056 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.3 | -42 | 176.7 | -74.7 | 178.4 | -146.4 | 0 | 0 | 112.9 | S754 V756 G760 M761 K762 R802 T803 V806 | S754-E758 WeakPolarHBondContact O-CB 3.4Å; S754-E758 VanDerWaalsContact O-CG 3.3Å; S754-E758 WeakPolarHBondContact O-CG 3.34Å; S754-E758 PolarHBondContact O-N 3.44Å; V756-E758 PolarHBondContact O-N 3.47Å; E758-G760 VanDerWaalsContact C-N 3.35Å; E758-M761 HydrophobicContact CG-CE 4.38Å; E758-K762 WeakPolarHBondContact O-CG 3.4Å; E758-K762 PolarHBondContact O-N 2.78Å; E758-R802 IonicContact OE1-CZ 3.16Å; E758-R802 IonicContact OE1-NE 3.64Å; E758-R802 PolarHBondContact OE1-NE 3.25Å; E758-R802 IonicContact OE1-NH1 2.59Å; E758-R802 PolarHBondContact OE1-NH1 3.34Å; E758-R802 IonicContact OE1-NH2 3.31Å; E758-R802 PolarHBondContact OE1-NH2 3.23Å; E758-R802 VanDerWaalsContact OE1-NH2 3.09Å; E758-R802 IonicContact OE2-CZ 3.83Å; E758-R802 IonicContact OE2-NE 2.64Å; E758-R802 IonicContact OE2-NH1 3.58Å; E758-R802 PolarHBondContact OE2-NH1 2.69Å; E758-R802 IonicContact OE2-NH2 3.6Å; E758-T803 HydrophobicContact CG-CG2 3.92Å; E758-T803 WeakPolarHBondContact OE1-CA 3.29Å; E758-T803 PolarHBondContact OE1-N 2.88Å; E758-T803 PolarHBondContact OE1-OG1 3.07Å; E758-V806 HydrophobicContact CB-CG1 4.43Å; E758-V806 HydrophobicContact CB-CG2 4.36Å; E758-V806 HydrophobicContact CG-CB 4.24Å; E758-V806 HydrophobicContact CG-CG2 4.06Å |
| 759 | V | 98.2 | Very high | 96 | Very high | 46 Ų | 46 | 28 Ų | 28 | 28% | 0.279 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -66.3 | -41.8 | 173.9 | 174.2 | 0 | 0 | 0 | 0 | 110.5 | G705 L708 K709 L755 V756 M761 K762 C763 | G705-V759 VanDerWaalsContact O-CG1 3.31Å; G705-V759 WeakPolarHBondContact O-CG1 3.34Å; L708-V759 HydrophobicContact CB-CG1 4.3Å; K709-V759 HydrophobicContact CB-CG1 4.48Å; L755-V759 WeakPolarHBondContact O-CG2 3.37Å; L755-V759 PolarHBondContact O-N 3.4Å; L755-V759 VanDerWaalsContact O-N 3.09Å; V756-V759 PolarHBondContact O-N 3.1Å; V759-M761 PolarHBondContact O-N 3.36Å; V759-K762 PolarHBondContact O-N 3.02Å; V759-C763 WeakPolarHBondContact O-CB 3.29Å; V759-C763 PolarHBondContact O-N 2.94Å; V759-C763 PolarHBondContact O-SG 3.02Å |
| 760 | G | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -55.8 | -49.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S740 V756 R757 E758 K762 C763 L764 | S740-G760 VanDerWaalsContact OG-CA 3.23Å; S740-G760 WeakPolarHBondContact OG-CA 3.36Å; V756-G760 PolarHBondContact O-N 2.67Å; R757-G760 PolarHBondContact O-N 2.77Å; E758-G760 VanDerWaalsContact C-N 3.35Å; G760-K762 PolarHBondContact O-N 2.93Å; G760-C763 PolarHBondContact O-N 3.41Å; G760-L764 VanDerWaalsContact O-CB 3.29Å; G760-L764 WeakPolarHBondContact O-CB 3.48Å; G760-L764 PolarHBondContact O-N 3.34Å |
| 761 | M | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59.6 | -44.8 | 176.7 | -72.1 | -174.5 | -72 | 0 | 0 | 112.3 | L741 R757 E758 V759 C763 L764 D765 I792 Q795 T803 V806 A807 V810 | L741-M761 HydrophobicContact CD1-CG 4.05Å; L741-M761 HydrophobicContact CD2-CG 3.89Å; L741-M761 HydrophobicContact CG-CG 3.84Å; R757-M761 WeakPolarHBondContact O-CG 3.5Å; R757-M761 PolarHBondContact O-N 3.2Å; E758-M761 HydrophobicContact CG-CE 4.38Å; V759-M761 PolarHBondContact O-N 3.36Å; M761-C763 VanDerWaalsContact C-N 3.35Å; M761-L764 PolarHBondContact O-N 3.17Å; M761-D765 WeakPolarHBondContact O-CB 3.38Å; M761-D765 PolarHBondContact O-N 3.23Å; M761-I792 HydrophobicContact CG-CG1 4.31Å; M761-I792 HydrophobicContact SD-CG2 4.36Å; M761-Q795 HydrophobicContact CE-CB 4.04Å; M761-Q795 HydrophobicContact CE-CG 4.26Å; M761-Q795 HydrophobicContact SD-CB 3.57Å; M761-Q795 VanDerWaalsContact SD-CB 3.57Å; M761-Q795 HydrophobicContact SD-CG 3.68Å; M761-T803 HydrophobicContact CE-CG2 3.91Å; M761-V806 HydrophobicContact CB-CG1 4.33Å; M761-V806 HydrophobicContact CE-CB 4.18Å; M761-V806 HydrophobicContact CE-CG1 3.95Å; M761-A807 HydrophobicContact CE-CB 3.98Å; M761-A807 HydrophobicContact SD-CB 3.56Å; M761-A807 VanDerWaalsContact SD-CB 3.56Å; M761-V810 HydrophobicContact CB-CG1 4.49Å; M761-V810 HydrophobicContact CB-CG2 4.26Å |
| 762 | K | 98.5 | Very high | 96.8 | Very high | 112 Ų | 112 | 19.2 Ų | 19.2 | 49% | 0.487 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -66.6 | -36.3 | 177.1 | -69 | 179.2 | 179.5 | -176.9 | 0 | 112.8 | E758 V759 G760 S766 V806 V810 | E758-K762 WeakPolarHBondContact O-CG 3.4Å; E758-K762 PolarHBondContact O-N 2.78Å; V759-K762 PolarHBondContact O-N 3.02Å; G760-K762 PolarHBondContact O-N 2.93Å; K762-S766 PolarHBondContact O-N 3.1Å; K762-S766 VanDerWaalsContact O-N 3.09Å; K762-V806 HydrophobicContact CD-CG1 4.37Å; K762-V806 HydrophobicContact CG-CG1 3.91Å; K762-V810 HydrophobicContact CG-CG2 4.41Å |
| 763 | C | 98.4 | Very high | 96.8 | Very high | 9 Ų | 9 | 22.3 Ų | 22.3 | 6% | 0.061 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -69.2 | -39.9 | 176 | -69.2 | 0 | 0 | 0 | 0 | 110.7 | V712 L737 V759 G760 M761 Y767 | V712-C763 HydrophobicContact CG2-CB 3.86Å; L737-C763 HydrophobicContact CD2-CB 3.7Å; V759-C763 WeakPolarHBondContact O-CB 3.29Å; V759-C763 PolarHBondContact O-N 2.94Å; V759-C763 PolarHBondContact O-SG 3.02Å; G760-C763 PolarHBondContact O-N 3.41Å; M761-C763 VanDerWaalsContact C-N 3.35Å; C763-Y767 WeakPolarHBondContact O-CB 3.41Å; C763-Y767 PolarHBondContact O-N 3.14Å |
| 764 | L | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.2 | -44.1 | 176 | -170.2 | 61.8 | 0 | 0 | 0 | 111.3 | L737 L738 L741 G760 M761 Y767 I768 V788 I792 | L737-L764 HydrophobicContact CB-CB 4.42Å; L737-L764 HydrophobicContact CB-CD1 3.84Å; L737-L764 HydrophobicContact CD1-CD1 4.27Å; L738-L764 HydrophobicContact CD2-CD2 3.86Å; L738-L764 HydrophobicContact CG-CD1 4.46Å; L741-L764 HydrophobicContact CD2-CD2 4.49Å; G760-L764 VanDerWaalsContact O-CB 3.29Å; G760-L764 WeakPolarHBondContact O-CB 3.48Å; G760-L764 PolarHBondContact O-N 3.34Å; M761-L764 PolarHBondContact O-N 3.17Å; L764-Y767 PolarHBondContact O-N 3.47Å; L764-I768 HydrophobicContact CD1-CD1 4.19Å; L764-I768 HydrophobicContact CG-CD1 4.02Å; L764-I768 VanDerWaalsContact O-CG1 3.28Å; L764-I768 WeakPolarHBondContact O-CG1 3.38Å; L764-I768 PolarHBondContact O-N 3.39Å; L764-V788 HydrophobicContact CD1-CG2 4.14Å; L764-V788 HydrophobicContact CD2-CB 4.34Å; L764-V788 HydrophobicContact CD2-CG1 3.94Å; L764-V788 HydrophobicContact CD2-CG2 4.02Å; L764-V788 HydrophobicContact CG-CG1 4.29Å; L764-V788 HydrophobicContact CG-CG2 4.26Å; L764-I792 HydrophobicContact CD2-CD1 4.34Å |
| 765 | D | 97.7 | Very high | 96.2 | Very high | 23 Ų | 23 | 32.8 Ų | 32.8 | 12% | 0.123 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -54.8 | -59.8 | 172.5 | -172.4 | 27.7 | 0 | 0 | 0 | 111.9 | M761 Y767 I768 E769 V810 H813 | M761-D765 WeakPolarHBondContact O-CB 3.38Å; M761-D765 PolarHBondContact O-N 3.23Å; D765-Y767 PolarHBondContact O-N 2.86Å; D765-I768 PolarHBondContact O-N 3.48Å; D765-E769 PolarHBondContact O-N 3.02Å; D765-V810 HydrophobicContact CB-CG1 3.82Å; D765-V810 HydrophobicContact CB-CG2 4.23Å; D765-H813 VanDerWaalsContact CG-ND1 3.33Å; D765-H813 IonicContact OD1-CE1 2.72Å; D765-H813 IonicContact OD1-CG 2.81Å; D765-H813 IonicContact OD1-ND1 3.77Å; D765-H813 PolarHBondContact OD1-ND1 3.48Å; D765-H813 IonicContact OD2-CE1 3.95Å; D765-H813 IonicContact OD2-CG 3.15Å; D765-H813 IonicContact OD2-ND1 3.98Å; D765-H813 PolarHBondContact OD2-ND1 2.96Å; D765-H813 VanDerWaalsContact OD2-ND1 3.15Å |
| 766 | S | 97.2 | Very high | 95.8 | Very high | 20 Ų | 20 | 32.3 Ų | 32.3 | 14% | 0.14 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63 | -27.6 | 179.9 | -179.5 | 0 | 0 | 0 | 0 | 113.3 | K716 K762 F770 | K716-S766 PolarHBondContact NZ-OG 3.26Å; K762-S766 PolarHBondContact O-N 3.1Å; K762-S766 VanDerWaalsContact O-N 3.09Å; S766-F770 WeakPolarHBondContact O-CB 3.46Å; S766-F770 PolarHBondContact O-N 2.51Å; S766-F770 VanDerWaalsContact O-N 3.15Å |
| 767 | Y | 96.6 | Very high | 95.2 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.008 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -75.8 | -42.6 | 178.8 | 179.3 | -106.7 | 0 | 0 | 0 | 111.5 | I715 L730 T733 C734 L737 C763 L764 D765 F770 L771 | I715-Y767 HydrophobicContact CD1-CE2 4.21Å; L730-Y767 VanDerWaalsContact CA-OH 3.22Å; L730-Y767 WeakPolarHBondContact CA-OH 3.34Å; L730-Y767 WeakPolarHBondContact CB-OH 3.36Å; L730-Y767 HydrophobicContact CD2-CE2 4.32Å; L730-Y767 PolarHBondContact O-OH 3.13Å; T733-Y767 HydrophobicContact CG2-CD2 4.05Å; T733-Y767 HydrophobicContact CG2-CE1 4.44Å; T733-Y767 HydrophobicContact CG2-CE2 3.74Å; C734-Y767 HydrophobicContact CB-CE1 3.91Å; L737-Y767 HydrophobicContact CD1-CD1 3.86Å; L737-Y767 HydrophobicContact CD1-CD2 4.47Å; L737-Y767 HydrophobicContact CD1-CG 3.72Å; C763-Y767 WeakPolarHBondContact O-CB 3.41Å; C763-Y767 PolarHBondContact O-N 3.14Å; L764-Y767 PolarHBondContact O-N 3.47Å; D765-Y767 PolarHBondContact O-N 2.86Å; Y767-F770 WeakPolarHBondContact O-CB 3.39Å; Y767-F770 PolarHBondContact O-N 2.82Å; Y767-L771 HydrophobicContact CD1-CD1 4.17Å; Y767-L771 HydrophobicContact CE1-CD1 3.55Å; Y767-L771 HydrophobicContact CE1-CG 4.06Å; Y767-L771 HydrophobicContact CE2-CD2 4.43Å; Y767-L771 HydrophobicContact CE2-CG 4.5Å; Y767-L771 WeakPolarHBondContact O-CG 3.37Å; Y767-L771 PolarHBondContact O-N 3.02Å |
| 768 | I | 96.2 | Very high | 94.6 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.6 | -42.4 | 176 | -65.8 | 167.1 | 0 | 0 | 0 | 110.3 | L764 D765 F770 L771 V772 M784 I785 V788 L814 I821 | L764-I768 HydrophobicContact CD1-CD1 4.19Å; L764-I768 HydrophobicContact CG-CD1 4.02Å; L764-I768 VanDerWaalsContact O-CG1 3.28Å; L764-I768 WeakPolarHBondContact O-CG1 3.38Å; L764-I768 PolarHBondContact O-N 3.39Å; D765-I768 PolarHBondContact O-N 3.48Å; I768-F770 VanDerWaalsContact C-N 3.27Å; I768-F770 PolarHBondContact O-N 3.15Å; I768-L771 PolarHBondContact O-N 3.09Å; I768-L771 VanDerWaalsContact O-N 3.09Å; I768-V772 HydrophobicContact CG2-CG2 4.13Å; I768-V772 WeakPolarHBondContact O-CB 3.44Å; I768-V772 VanDerWaalsContact O-CG2 3.28Å; I768-V772 WeakPolarHBondContact O-CG2 3.32Å; I768-V772 PolarHBondContact O-N 3.17Å; I768-M784 HydrophobicContact CG1-CE 4.2Å; I768-I785 HydrophobicContact CD1-CD1 4.41Å; I768-I785 HydrophobicContact CG2-CD1 4.46Å; I768-V788 HydrophobicContact CD1-CB 4.26Å; I768-V788 HydrophobicContact CD1-CG1 3.57Å; I768-V788 HydrophobicContact CD1-CG2 3.76Å; I768-L814 HydrophobicContact CB-CD2 4.11Å; I768-L814 HydrophobicContact CD1-CD2 4.05Å; I768-L814 HydrophobicContact CG2-CD2 4.16Å; I768-I821 HydrophobicContact CG2-CD1 3.72Å; I768-I821 HydrophobicContact CG2-CG1 4.34Å; I768-I821 HydrophobicContact CG2-CG2 4.13Å |
| 769 | E | 95.2 | Very high | 94.2 | Very high | 71 Ų | 71 | 45.1 Ų | 45.1 | 33% | 0.332 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -53.1 | -45.9 | 170.7 | 170.6 | 176.8 | 178 | 0 | 0 | 111.3 | D765 L771 V772 N773 H813 H817 | D765-E769 PolarHBondContact O-N 3.02Å; E769-L771 PolarHBondContact O-N 3.3Å; E769-V772 PolarHBondContact O-N 3.26Å; E769-N773 VanDerWaalsContact CG-ND2 3.3Å; E769-N773 WeakPolarHBondContact CG-ND2 3.37Å; E769-N773 VanDerWaalsContact O-CB 3.27Å; E769-N773 WeakPolarHBondContact O-CB 3.28Å; E769-N773 VanDerWaalsContact O-CG 3.28Å; E769-N773 PolarHBondContact O-N 3.47Å; E769-N773 PolarHBondContact O-ND2 3.16Å; E769-H813 IonicContact OE2-CE1 2.96Å; E769-H817 WeakPolarHBondContact CG-NE2 3.45Å |
| 770 | F | 95 | Very high | 93.9 | Very high | 16 Ų | 16 | 43.2 Ų | 43.2 | 7% | 0.07 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.6 | -44.1 | 175.9 | 171.2 | -92.5 | 0 | 0 | 0 | 112.2 | I715 K716 A720 S766 Y767 I768 N774 Y776 | I715-F770 HydrophobicContact CG2-CD1 4.07Å; I715-F770 HydrophobicContact CG2-CE1 3.58Å; I715-F770 HydrophobicContact CG2-CZ 3.83Å; K716-F770 HydrophobicContact CB-CD2 4.49Å; K716-F770 HydrophobicContact CG-CB 4.32Å; K716-F770 HydrophobicContact CG-CD2 3.83Å; K716-F770 HydrophobicContact CG-CE2 4.49Å; K716-F770 HydrophobicContact CG-CG 4.23Å; A720-F770 HydrophobicContact CB-CZ 4.23Å; S766-F770 WeakPolarHBondContact O-CB 3.46Å; S766-F770 PolarHBondContact O-N 2.51Å; S766-F770 VanDerWaalsContact O-N 3.15Å; Y767-F770 WeakPolarHBondContact O-CB 3.39Å; Y767-F770 PolarHBondContact O-N 2.82Å; I768-F770 VanDerWaalsContact C-N 3.27Å; I768-F770 PolarHBondContact O-N 3.15Å; F770-N774 WeakPolarHBondContact CD2-ND2 3.18Å; F770-N774 WeakPolarHBondContact O-CB 3.41Å; F770-N774 PolarHBondContact O-N 3.41Å; F770-N774 PolarHBondContact O-ND2 3.39Å; F770-Y776 AromaticContact CE1-CE2 3.88Å; F770-Y776 HydrophobicContact CE1-CE2 3.88Å; F770-Y776 HydrophobicContact CZ-CE2 4.28Å |
| 771 | L | 94.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.4 | -44.6 | 178.9 | -68.6 | -178 | 0 | 0 | 0 | 112.1 | Y767 I768 E769 N774 Q775 Y776 L779 I780 M784 | Y767-L771 HydrophobicContact CD1-CD1 4.17Å; Y767-L771 HydrophobicContact CE1-CD1 3.55Å; Y767-L771 HydrophobicContact CE1-CG 4.06Å; Y767-L771 HydrophobicContact CE2-CD2 4.43Å; Y767-L771 HydrophobicContact CE2-CG 4.5Å; Y767-L771 WeakPolarHBondContact O-CG 3.37Å; Y767-L771 PolarHBondContact O-N 3.02Å; I768-L771 PolarHBondContact O-N 3.09Å; I768-L771 VanDerWaalsContact O-N 3.09Å; E769-L771 PolarHBondContact O-N 3.3Å; L771-N774 CarbonylContact O-C 3.59Å; L771-N774 PolarHBondContact O-N 3.01Å; L771-Q775 PolarHBondContact O-N 3.01Å; L771-Y776 HydrophobicContact CD2-CD2 3.85Å; L771-Y776 HydrophobicContact CD2-CE2 4.49Å; L771-Y776 HydrophobicContact CD2-CG 3.99Å; L771-Y776 PolarHBondContact O-N 3.38Å; L771-L779 HydrophobicContact CD2-CD1 4.2Å; L771-I780 HydrophobicContact CB-CD1 4.13Å; L771-I780 HydrophobicContact CB-CG1 4.25Å; L771-I780 HydrophobicContact CD1-CG1 4.44Å; L771-M784 HydrophobicContact CD1-CE 4Å |
| 772 | V | 94.2 | Very high | 93.5 | Very high | 18 Ų | 18 | 48.7 Ų | 48.7 | 11% | 0.109 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.3 | -51 | -178.5 | 169.9 | 0 | 0 | 0 | 0 | 110.9 | I768 E769 N774 Q775 I780 P819 I821 | I768-V772 HydrophobicContact CG2-CG2 4.13Å; I768-V772 WeakPolarHBondContact O-CB 3.44Å; I768-V772 VanDerWaalsContact O-CG2 3.28Å; I768-V772 WeakPolarHBondContact O-CG2 3.32Å; I768-V772 PolarHBondContact O-N 3.17Å; E769-V772 PolarHBondContact O-N 3.26Å; V772-N774 PolarHBondContact O-N 3.08Å; V772-N774 VanDerWaalsContact O-N 3.17Å; V772-Q775 PolarHBondContact O-N 2.64Å; V772-Q775 VanDerWaalsContact O-N 3.09Å; V772-I780 HydrophobicContact CB-CD1 4.49Å; V772-I780 HydrophobicContact CG2-CD1 3.55Å; V772-P819 HydrophobicContact CG1-CG 3.72Å; V772-I821 HydrophobicContact CG2-CG1 4.18Å; V772-I821 HydrophobicContact CG2-CG2 4.45Å |
| 773 | N | 93.7 | Very high | 93.3 | Very high | 75 Ų | 75 | 49.3 Ų | 49.3 | 40% | 0.401 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.8 | -22.6 | -178.1 | -72.1 | -20.8 | 0 | 0 | 0 | 113.2 | E769 | E769-N773 VanDerWaalsContact CG-ND2 3.3Å; E769-N773 WeakPolarHBondContact CG-ND2 3.37Å; E769-N773 VanDerWaalsContact O-CB 3.27Å; E769-N773 WeakPolarHBondContact O-CB 3.28Å; E769-N773 VanDerWaalsContact O-CG 3.28Å; E769-N773 PolarHBondContact O-N 3.47Å; E769-N773 PolarHBondContact O-ND2 3.16Å |
| 774 | N | 92 | Very high | 93.1 | Very high | 59 Ų | 59 | 50 Ų | 50 | 32% | 0.316 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | 16.9 | 177.8 | -63.8 | -83.7 | 0 | 0 | 0 | 113.5 | A720 F770 L771 V772 Y776 | A720-N774 HydrophobicContact CB-CB 3.52Å; A720-N774 WeakPolarHBondContact CB-OD1 3.14Å; F770-N774 WeakPolarHBondContact CD2-ND2 3.18Å; F770-N774 WeakPolarHBondContact O-CB 3.41Å; F770-N774 PolarHBondContact O-N 3.41Å; F770-N774 PolarHBondContact O-ND2 3.39Å; L771-N774 CarbonylContact O-C 3.59Å; L771-N774 PolarHBondContact O-N 3.01Å; V772-N774 PolarHBondContact O-N 3.08Å; V772-N774 VanDerWaalsContact O-N 3.17Å; N774-Y776 VanDerWaalsContact C-N 3.34Å; N774-Y776 HydrophobicContact CB-CD2 3.82Å; N774-Y776 HydrophobicContact CB-CE2 3.69Å; N774-Y776 PolarHBondContact O-N 3Å |
| 775 | Q | 87.9 | Confident | 93.1 | Very high | 168 Ų | 168 | 50 Ų | 50 | 79% | 0.785 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59 | 35.8 | 171 | -57.1 | -179.6 | -13.3 | 0 | 0 | 115 | L771 V772 S777 | L771-Q775 PolarHBondContact O-N 3.01Å; V772-Q775 PolarHBondContact O-N 2.64Å; V772-Q775 VanDerWaalsContact O-N 3.09Å; Q775-S777 PolarHBondContact O-N 3.02Å |
| 776 | Y | 88.6 | Confident | 93 | Very high | 44 Ų | 44 | 52.1 Ų | 52.1 | 17% | 0.173 | 27% | 0.272 | C | S | . | . | trans | -80.4 | 48.1 | 172.6 | -70.5 | -79.8 | 0 | 0 | 0 | 112.8 | A720 L730 F770 L771 N774 E778 L779 | A720-Y776 VanDerWaalsContact C-OH 3.24Å; A720-Y776 WeakPolarHBondContact CA-OH 3.49Å; A720-Y776 HydrophobicContact CB-CE2 3.74Å; A720-Y776 WeakPolarHBondContact CB-OH 3.19Å; A720-Y776 PolarHBondContact O-OH 3.46Å; L730-Y776 HydrophobicContact CD1-CD1 4.1Å; L730-Y776 HydrophobicContact CD1-CE1 3.65Å; F770-Y776 AromaticContact CE1-CE2 3.88Å; F770-Y776 HydrophobicContact CE1-CE2 3.88Å; F770-Y776 HydrophobicContact CZ-CE2 4.28Å; L771-Y776 HydrophobicContact CD2-CD2 3.85Å; L771-Y776 HydrophobicContact CD2-CE2 4.49Å; L771-Y776 HydrophobicContact CD2-CG 3.99Å; L771-Y776 PolarHBondContact O-N 3.38Å; N774-Y776 VanDerWaalsContact C-N 3.34Å; N774-Y776 HydrophobicContact CB-CD2 3.82Å; N774-Y776 HydrophobicContact CB-CE2 3.69Å; N774-Y776 PolarHBondContact O-N 3Å; Y776-E778 PolarHBondContact O-N 2.85Å; Y776-E778 VanDerWaalsContact O-N 3.12Å; Y776-L779 HydrophobicContact CD1-CD1 3.95Å; Y776-L779 HydrophobicContact CG-CD1 4.29Å; Y776-L779 PolarHBondContact O-N 3.07Å | ||
| 777 | S | 84 | Confident | 93 | Very high | 60 Ų | 60 | 55.2 Ų | 55.2 | 42% | 0.42 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -56.3 | -32.4 | -175.4 | -56.6 | 0 | 0 | 0 | 0 | 113 | Q775 L779 I780 | Q775-S777 PolarHBondContact O-N 3.02Å; S777-L779 PolarHBondContact O-N 2.82Å; S777-I780 PolarHBondContact O-N 3.19Å |
| 778 | E | 86.8 | Confident | 93.1 | Very high | 192 Ų | 192 | 55.1 Ų | 55.1 | 90% | 0.897 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -64.9 | -22.9 | 178 | -60.5 | -176.4 | 175.4 | 0 | 0 | 114.2 | Y776 | Y776-E778 PolarHBondContact O-N 2.85Å; Y776-E778 VanDerWaalsContact O-N 3.12Å |
| 779 | L | 89.1 | Confident | 93.2 | Very high | 30 Ų | 30 | 55.2 Ų | 55.2 | 16% | 0.157 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -90.9 | -21.5 | 178.6 | -65.9 | 177.5 | 0 | 0 | 0 | 112.5 | A727 L730 L771 Y776 S777 T781 | A727-L779 HydrophobicContact CB-CD2 4.17Å; L730-L779 HydrophobicContact CB-CD1 3.55Å; L730-L779 HydrophobicContact CD1-CD1 3.58Å; L730-L779 HydrophobicContact CG-CD1 4.21Å; L771-L779 HydrophobicContact CD2-CD1 4.2Å; Y776-L779 HydrophobicContact CD1-CD1 3.95Å; Y776-L779 HydrophobicContact CG-CD1 4.29Å; Y776-L779 PolarHBondContact O-N 3.07Å; S777-L779 PolarHBondContact O-N 2.82Å; L779-T781 PolarHBondContact O-N 3.19Å |
| 780 | I | 91.3 | Very high | 93.3 | Very high | 7 Ų | 7 | 52.2 Ų | 52.2 | 4% | 0.036 | 27% | 0.27 | C | S | . | . | trans | -86.7 | 90.6 | -179.5 | -57.6 | 173.6 | 0 | 0 | 0 | 107.5 | L771 V772 S777 I785 H823 | L771-I780 HydrophobicContact CB-CD1 4.13Å; L771-I780 HydrophobicContact CB-CG1 4.25Å; L771-I780 HydrophobicContact CD1-CG1 4.44Å; V772-I780 HydrophobicContact CB-CD1 4.49Å; V772-I780 HydrophobicContact CG2-CD1 3.55Å; S777-I780 PolarHBondContact O-N 3.19Å; I780-I785 HydrophobicContact CG2-CD1 3.92Å; I780-I785 HydrophobicContact CG2-CG1 3.67Å; I780-H823 PolarHBondContact O-CD2 2.94Å; I780-H823 PolarHBondContact O-NE2 3.45Å | ||
| 781 | T | 93.8 | Very high | 93.5 | Very high | 60 Ų | 60 | 51.8 Ų | 51.8 | 37% | 0.368 | 27% | 0.269 | S | S | . | . | trans | -97 | 157.6 | 179.3 | 67.2 | 0 | 0 | 0 | 0 | 111.8 | L779 D783 M784 I785 | L779-T781 PolarHBondContact O-N 3.19Å; T781-D783 PolarHBondContact O-N 2.85Å; T781-M784 PolarHBondContact O-N 3.47Å; T781-M784 WeakPolarHBondContact OG1-CB 3.41Å; T781-M784 PolarHBondContact OG1-N 2.93Å; T781-I785 PolarHBondContact O-N 3.11Å | ||
| 782 | S | 94.6 | Very high | 93.6 | Very high | 54 Ų | 54 | 51.7 Ų | 51.7 | 38% | 0.378 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -54.5 | -49.2 | 174.7 | -163.5 | 0 | 0 | 0 | 0 | 112.5 | M784 I785 E786 | S782-M784 VanDerWaalsContact C-N 3.27Å; S782-M784 PolarHBondContact O-N 3.48Å; S782-I785 PolarHBondContact O-N 3.19Å; S782-E786 WeakPolarHBondContact O-CB 3.48Å; S782-E786 PolarHBondContact O-N 2.97Å |
| 783 | D | 94.7 | Very high | 93.8 | Very high | 126 Ų | 126 | 50.9 Ų | 50.9 | 67% | 0.674 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -59.2 | -38.7 | 179.3 | -56.9 | -26.1 | 0 | 0 | 0 | 112.3 | T781 E787 | T781-D783 PolarHBondContact O-N 2.85Å; D783-E787 WeakPolarHBondContact O-CB 3.37Å; D783-E787 PolarHBondContact O-N 3.47Å |
| 784 | M | 94.7 | Very high | 94.1 | Very high | 22 Ų | 22 | 47.5 Ų | 47.5 | 11% | 0.108 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.3 | -49.5 | 179.2 | 168.5 | 177 | 155.9 | 0 | 0 | 110.8 | C734 I768 L771 T781 S782 E787 V788 | C734-M784 HydrophobicContact CB-CE 4.14Å; C734-M784 HydrophobicContact CB-SD 4.16Å; C734-M784 WeakPolarHBondContact SG-CE 3.27Å; C734-M784 PolarHBondContact SG-SD 3.2Å; I768-M784 HydrophobicContact CG1-CE 4.2Å; L771-M784 HydrophobicContact CD1-CE 4Å; T781-M784 PolarHBondContact O-N 3.47Å; T781-M784 WeakPolarHBondContact OG1-CB 3.41Å; T781-M784 PolarHBondContact OG1-N 2.93Å; S782-M784 VanDerWaalsContact C-N 3.27Å; S782-M784 PolarHBondContact O-N 3.48Å; M784-E787 PolarHBondContact O-N 2.78Å; M784-V788 HydrophobicContact CG-CG2 4.42Å; M784-V788 WeakPolarHBondContact O-CB 3.34Å; M784-V788 WeakPolarHBondContact O-CG2 3.46Å; M784-V788 PolarHBondContact O-N 3.22Å |
| 785 | I | 96.5 | Very high | 94.3 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.4 | -36.2 | -178.1 | -65.4 | -56.7 | 0 | 0 | 0 | 111.5 | I768 I780 T781 S782 V788 M789 I821 H823 I824 | I768-I785 HydrophobicContact CD1-CD1 4.41Å; I768-I785 HydrophobicContact CG2-CD1 4.46Å; I780-I785 HydrophobicContact CG2-CD1 3.92Å; I780-I785 HydrophobicContact CG2-CG1 3.67Å; T781-I785 PolarHBondContact O-N 3.11Å; S782-I785 PolarHBondContact O-N 3.19Å; I785-V788 WeakPolarHBondContact O-CB 3.48Å; I785-V788 PolarHBondContact O-N 3.17Å; I785-M789 HydrophobicContact CG2-CG 4.18Å; I785-M789 WeakPolarHBondContact O-CB 3.42Å; I785-M789 VanDerWaalsContact O-CG 3.27Å; I785-M789 WeakPolarHBondContact O-CG 3.34Å; I785-M789 PolarHBondContact O-N 3.36Å; I785-I821 HydrophobicContact CD1-CG2 3.8Å; I785-I821 HydrophobicContact CG1-CG2 4.3Å; I785-H823 HydrophobicContact CB-CB 4.45Å; I785-I824 HydrophobicContact CG2-CB 4.35Å; I785-I824 HydrophobicContact CG2-CG1 3.62Å |
| 786 | E | 97.3 | Very high | 94.8 | Very high | 67 Ų | 67 | 36.9 Ų | 36.9 | 31% | 0.313 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -59.9 | -48.8 | 171 | -173.5 | -177.7 | 128.9 | 0 | 0 | 111.1 | S782 V788 M789 T790 E862 | S782-E786 WeakPolarHBondContact O-CB 3.48Å; S782-E786 PolarHBondContact O-N 2.97Å; E786-V788 VanDerWaalsContact C-N 3.31Å; E786-V788 PolarHBondContact O-N 3.29Å; E786-M789 PolarHBondContact O-N 2.89Å; E786-T790 HydrophobicContact CG-CG2 4.1Å; E786-T790 WeakPolarHBondContact O-CB 3.37Å; E786-T790 WeakPolarHBondContact O-CG2 3.43Å; E786-T790 PolarHBondContact O-N 2.75Å; E786-T790 PolarHBondContact O-OG1 2.69Å; E786-E862 HydrophobicContact CG-CB 4.22Å |
| 787 | E | 97 | Very high | 95.2 | Very high | 84 Ų | 84 | 34.8 Ų | 34.8 | 39% | 0.393 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.9 | -38.4 | 179.2 | -168.4 | 171.5 | -172.5 | 0 | 0 | 112 | L738 D783 M784 T790 S791 | L738-E787 HydrophobicContact CD1-CB 4.28Å; L738-E787 HydrophobicContact CD1-CG 4.09Å; L738-E787 HydrophobicContact CD2-CG 4.14Å; D783-E787 WeakPolarHBondContact O-CB 3.37Å; D783-E787 PolarHBondContact O-N 3.47Å; M784-E787 PolarHBondContact O-N 2.78Å; E787-T790 PolarHBondContact O-OG1 3.23Å; E787-S791 WeakPolarHBondContact O-CB 3.31Å; E787-S791 PolarHBondContact O-N 2.89Å; E787-S791 PolarHBondContact O-OG 2.9Å |
| 788 | V | 97.7 | Very high | 95.8 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59 | -58.5 | 173 | 168.3 | 0 | 0 | 0 | 0 | 110.5 | L738 L764 I768 M784 I785 E786 T790 S791 I792 L814 | L738-V788 HydrophobicContact CD2-CB 4.45Å; L738-V788 HydrophobicContact CD2-CG2 3.9Å; L764-V788 HydrophobicContact CD1-CG2 4.14Å; L764-V788 HydrophobicContact CD2-CB 4.34Å; L764-V788 HydrophobicContact CD2-CG1 3.94Å; L764-V788 HydrophobicContact CD2-CG2 4.02Å; L764-V788 HydrophobicContact CG-CG1 4.29Å; L764-V788 HydrophobicContact CG-CG2 4.26Å; I768-V788 HydrophobicContact CD1-CB 4.26Å; I768-V788 HydrophobicContact CD1-CG1 3.57Å; I768-V788 HydrophobicContact CD1-CG2 3.76Å; M784-V788 HydrophobicContact CG-CG2 4.42Å; M784-V788 WeakPolarHBondContact O-CB 3.34Å; M784-V788 WeakPolarHBondContact O-CG2 3.46Å; M784-V788 PolarHBondContact O-N 3.22Å; I785-V788 WeakPolarHBondContact O-CB 3.48Å; I785-V788 PolarHBondContact O-N 3.17Å; E786-V788 VanDerWaalsContact C-N 3.31Å; E786-V788 PolarHBondContact O-N 3.29Å; V788-T790 PolarHBondContact O-N 2.93Å; V788-S791 PolarHBondContact O-N 2.91Å; V788-I792 HydrophobicContact CG1-CD1 3.66Å; V788-I792 WeakPolarHBondContact O-CD1 3.31Å; V788-I792 VanDerWaalsContact O-CG1 3.31Å; V788-I792 WeakPolarHBondContact O-CG1 3.22Å; V788-I792 PolarHBondContact O-N 3.48Å; V788-L814 HydrophobicContact CG1-CD1 3.79Å |
| 789 | M | 98.1 | Very high | 96.1 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.8 | -42 | -171.8 | -69.4 | -59.5 | -75.1 | 0 | 0 | 111.6 | I785 E786 A793 F811 L814 I824 Y863 | I785-M789 HydrophobicContact CG2-CG 4.18Å; I785-M789 WeakPolarHBondContact O-CB 3.42Å; I785-M789 VanDerWaalsContact O-CG 3.27Å; I785-M789 WeakPolarHBondContact O-CG 3.34Å; I785-M789 PolarHBondContact O-N 3.36Å; E786-M789 PolarHBondContact O-N 2.89Å; M789-A793 VanDerWaalsContact O-CB 3.3Å; M789-A793 WeakPolarHBondContact O-CB 3.41Å; M789-A793 PolarHBondContact O-N 2.9Å; M789-F811 HydrophobicContact CE-CD1 4.41Å; M789-F811 HydrophobicContact CE-CD2 3.9Å; M789-F811 HydrophobicContact CE-CE1 4.03Å; M789-F811 HydrophobicContact CE-CE2 3.48Å; M789-F811 VanDerWaalsContact CE-CE2 3.48Å; M789-F811 HydrophobicContact CE-CG 4.34Å; M789-F811 HydrophobicContact CE-CZ 3.54Å; M789-F811 HydrophobicContact SD-CE2 4.45Å; M789-L814 HydrophobicContact SD-CB 4.13Å; M789-L814 HydrophobicContact SD-CD1 4.19Å; M789-I824 HydrophobicContact CE-CG2 4.26Å; M789-I824 HydrophobicContact CG-CG1 4.49Å; M789-Y863 HydrophobicContact CB-CE1 4.13Å; M789-Y863 WeakPolarHBondContact CB-OH 3.25Å |
| 790 | T | 98.2 | Very high | 96.3 | Very high | 8 Ų | 8 | 27 Ų | 27 | 5% | 0.049 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -70.4 | -37.8 | 179.3 | 60.4 | 0 | 0 | 0 | 0 | 112 | E786 E787 V788 A793 Q794 E862 Y863 R866 | E786-T790 HydrophobicContact CG-CG2 4.1Å; E786-T790 WeakPolarHBondContact O-CB 3.37Å; E786-T790 WeakPolarHBondContact O-CG2 3.43Å; E786-T790 PolarHBondContact O-N 2.75Å; E786-T790 PolarHBondContact O-OG1 2.69Å; E787-T790 PolarHBondContact O-OG1 3.23Å; V788-T790 PolarHBondContact O-N 2.93Å; T790-A793 PolarHBondContact O-N 3.06Å; T790-Q794 PolarHBondContact O-N 2.7Å; T790-E862 VanDerWaalsContact CG2-O 3.3Å; T790-E862 WeakPolarHBondContact CG2-O 3.3Å; T790-Y863 HydrophobicContact CG2-CD1 3.83Å; T790-Y863 HydrophobicContact CG2-CE1 3.98Å; T790-Y863 HydrophobicContact CG2-CG 4.14Å; T790-R866 WeakPolarHBondContact O-CB 3.39Å |
| 791 | S | 98.2 | Very high | 96.5 | Very high | 7 Ų | 7 | 29.9 Ų | 29.9 | 5% | 0.049 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.1 | -40.3 | 176.4 | -63 | 0 | 0 | 0 | 0 | 112 | E787 V788 Q794 Q795 | E787-S791 WeakPolarHBondContact O-CB 3.31Å; E787-S791 PolarHBondContact O-N 2.89Å; E787-S791 PolarHBondContact O-OG 2.9Å; V788-S791 PolarHBondContact O-N 2.91Å; S791-Q794 WeakPolarHBondContact O-CB 3.16Å; S791-Q794 PolarHBondContact O-N 3.39Å; S791-Q795 WeakPolarHBondContact O-CG 3.4Å; S791-Q795 PolarHBondContact O-N 3.24Å |
| 792 | I | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.1 | -41.6 | 175.3 | -65.4 | 159 | 0 | 0 | 0 | 110.6 | L741 M761 L764 V788 Q794 Q795 A796 A807 V810 F811 L814 | L741-I792 HydrophobicContact CD2-CG1 4.13Å; M761-I792 HydrophobicContact CG-CG1 4.31Å; M761-I792 HydrophobicContact SD-CG2 4.36Å; L764-I792 HydrophobicContact CD2-CD1 4.34Å; V788-I792 HydrophobicContact CG1-CD1 3.66Å; V788-I792 WeakPolarHBondContact O-CD1 3.31Å; V788-I792 VanDerWaalsContact O-CG1 3.31Å; V788-I792 WeakPolarHBondContact O-CG1 3.22Å; V788-I792 PolarHBondContact O-N 3.48Å; I792-Q794 VanDerWaalsContact C-N 3.29Å; I792-Q794 PolarHBondContact O-N 2.86Å; I792-Q795 WeakPolarHBondContact O-CB 3.14Å; I792-Q795 PolarHBondContact O-N 3.2Å; I792-A796 PolarHBondContact O-N 2.93Å; I792-A807 HydrophobicContact CG2-CB 4.25Å; I792-A807 VanDerWaalsContact CG2-O 3.24Å; I792-A807 WeakPolarHBondContact CG2-O 3.28Å; I792-V810 HydrophobicContact CD1-CG1 3.74Å; I792-V810 HydrophobicContact CG1-CG1 4.39Å; I792-V810 HydrophobicContact CG2-CG1 4.39Å; I792-F811 HydrophobicContact CB-CD2 4.46Å; I792-F811 HydrophobicContact CG2-CB 3.82Å; I792-F811 HydrophobicContact CG2-CD2 4.14Å; I792-L814 HydrophobicContact CD1-CD1 3.42Å; I792-L814 VanDerWaalsContact CD1-CD1 3.42Å |
| 793 | A | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.6 | -39.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | M789 T790 Q795 A796 V797 F811 F854 L857 Y863 L867 | M789-A793 VanDerWaalsContact O-CB 3.3Å; M789-A793 WeakPolarHBondContact O-CB 3.41Å; M789-A793 PolarHBondContact O-N 2.9Å; T790-A793 PolarHBondContact O-N 3.06Å; A793-Q795 PolarHBondContact O-N 2.63Å; A793-A796 WeakPolarHBondContact O-CB 3.3Å; A793-A796 PolarHBondContact O-N 3.33Å; A793-V797 PolarHBondContact O-N 3.13Å; A793-F811 HydrophobicContact CB-CD2 4.36Å; A793-F811 HydrophobicContact CB-CE2 4.02Å; A793-F854 HydrophobicContact CB-CD1 4.46Å; A793-L857 HydrophobicContact CB-CD2 4.42Å; A793-Y863 HydrophobicContact CB-CD1 3.94Å; A793-Y863 HydrophobicContact CB-CE1 4.21Å; A793-L867 HydrophobicContact CB-CD2 4.13Å |
| 794 | Q | 98.3 | Very high | 96.8 | Very high | 5 Ų | 5 | 24.1 Ų | 24.1 | 2% | 0.023 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -56 | -49.8 | 171.3 | 179.9 | -175.8 | -33.5 | 0 | 0 | 111.3 | Y744 T790 S791 I792 A796 V797 E798 R866 | Y744-Q794 PolarHBondContact OH-NE2 2.99Å; T790-Q794 PolarHBondContact O-N 2.7Å; S791-Q794 WeakPolarHBondContact O-CB 3.16Å; S791-Q794 PolarHBondContact O-N 3.39Å; I792-Q794 VanDerWaalsContact C-N 3.29Å; I792-Q794 PolarHBondContact O-N 2.86Å; Q794-A796 PolarHBondContact O-N 2.92Å; Q794-V797 WeakPolarHBondContact O-CG2 3.33Å; Q794-V797 PolarHBondContact O-N 2.74Å; Q794-V797 VanDerWaalsContact O-N 3.16Å; Q794-E798 PolarHBondContact NE2-OE1 2.59Å; Q794-E798 PolarHBondContact O-N 3.47Å; Q794-R866 HydrophobicContact CB-CB 4.13Å; Q794-R866 WeakPolarHBondContact CB-O 3.05Å; Q794-R866 VanDerWaalsContact CG-O 3.31Å; Q794-R866 WeakPolarHBondContact CG-O 3.15Å |
| 795 | Q | 98.1 | Very high | 96.9 | Very high | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.009 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.8 | -29.8 | -179.4 | -60.2 | -60.6 | -54.8 | 0 | 0 | 112.3 | L741 Y744 M761 S791 I792 A793 V797 E798 R804 A807 | L741-Q795 PolarHBondContact O-NE2 3.25Å; Y744-Q795 PolarHBondContact OH-NE2 3.23Å; M761-Q795 HydrophobicContact CE-CB 4.04Å; M761-Q795 HydrophobicContact CE-CG 4.26Å; M761-Q795 HydrophobicContact SD-CB 3.57Å; M761-Q795 VanDerWaalsContact SD-CB 3.57Å; M761-Q795 HydrophobicContact SD-CG 3.68Å; S791-Q795 WeakPolarHBondContact O-CG 3.4Å; S791-Q795 PolarHBondContact O-N 3.24Å; I792-Q795 WeakPolarHBondContact O-CB 3.14Å; I792-Q795 PolarHBondContact O-N 3.2Å; A793-Q795 PolarHBondContact O-N 2.63Å; Q795-V797 VanDerWaalsContact C-N 3.28Å; Q795-V797 PolarHBondContact O-N 2.84Å; Q795-E798 PolarHBondContact NE2-OE1 2.93Å; Q795-R804 WeakPolarHBondContact O-CG 3.19Å; Q795-A807 HydrophobicContact CB-CB 3.62Å |
| 796 | A | 97.9 | Very high | 97 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.008 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -72.8 | -16 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | I792 A793 Q794 R804 A807 F854 | I792-A796 PolarHBondContact O-N 2.93Å; A793-A796 WeakPolarHBondContact O-CB 3.3Å; A793-A796 PolarHBondContact O-N 3.33Å; Q794-A796 PolarHBondContact O-N 2.92Å; A796-R804 WeakPolarHBondContact O-CD 3.49Å; A796-R804 VanDerWaalsContact O-CG 3.29Å; A796-R804 WeakPolarHBondContact O-CG 3.42Å; A796-A807 HydrophobicContact CB-CB 3.84Å; A796-F854 HydrophobicContact CB-CD1 3.92Å; A796-F854 HydrophobicContact CB-CD2 3.9Å; A796-F854 HydrophobicContact CB-CE1 3.55Å; A796-F854 HydrophobicContact CB-CE2 3.53Å; A796-F854 HydrophobicContact CB-CG 4.11Å; A796-F854 HydrophobicContact CB-CZ 3.34Å |
| 797 | V | 97.4 | Very high | 97 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.3 | 16 | 178 | -61.9 | 0 | 0 | 0 | 0 | 113.7 | A793 Q794 Q795 F851 F854 L867 G870 L871 S874 | A793-V797 PolarHBondContact O-N 3.13Å; Q794-V797 WeakPolarHBondContact O-CG2 3.33Å; Q794-V797 PolarHBondContact O-N 2.74Å; Q794-V797 VanDerWaalsContact O-N 3.16Å; Q795-V797 VanDerWaalsContact C-N 3.28Å; Q795-V797 PolarHBondContact O-N 2.84Å; V797-F851 HydrophobicContact CB-CD1 4.2Å; V797-F851 HydrophobicContact CB-CE1 3.85Å; V797-F851 HydrophobicContact CG1-CD1 4.1Å; V797-F851 HydrophobicContact CG1-CE1 4.24Å; V797-F851 WeakPolarHBondContact O-CE1 3.32Å; V797-F854 HydrophobicContact CG1-CB 3.39Å; V797-F854 HydrophobicContact CG1-CG 4.02Å; V797-L867 HydrophobicContact CG1-CD2 4.01Å; V797-L867 HydrophobicContact CG2-CD2 3.85Å; V797-G870 CarbonylContact O-C 3.51Å; V797-G870 VanDerWaalsContact O-O 3.07Å; V797-L871 HydrophobicContact CB-CD2 4.07Å; V797-L871 HydrophobicContact CB-CG 4.19Å; V797-L871 HydrophobicContact CG1-CD2 4.45Å; V797-L871 HydrophobicContact CG2-CG 4.15Å; V797-S874 WeakPolarHBondContact O-CB 3.35Å; V797-S874 PolarHBondContact O-OG 3.26Å |
| 798 | E | 95.2 | Very high | 97 | Very high | 3 Ų | 3 | 16.6 Ų | 16.6 | 1% | 0.014 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -89 | 174.1 | 177 | -86.3 | -165.8 | -150.9 | 0 | 0 | 114.7 | Y744 R757 Q794 Q795 I800 R804 S874 | Y744-E798 PolarHBondContact OH-OE1 3.24Å; R757-E798 IonicContact CZ-OE2 3.44Å; R757-E798 IonicContact NH1-OE1 3.25Å; R757-E798 PolarHBondContact NH1-OE1 2.91Å; R757-E798 IonicContact NH1-OE2 2.74Å; R757-E798 PolarHBondContact NH1-OE2 3.36Å; R757-E798 IonicContact NH2-OE2 3.28Å; R757-E798 PolarHBondContact NH2-OE2 3.32Å; Q794-E798 PolarHBondContact NE2-OE1 2.59Å; Q794-E798 PolarHBondContact O-N 3.47Å; Q795-E798 PolarHBondContact NE2-OE1 2.93Å; E798-I800 PolarHBondContact O-N 3.44Å; E798-R804 WeakPolarHBondContact O-CD 3.49Å; E798-R804 VanDerWaalsContact O-CG 3.27Å; E798-R804 WeakPolarHBondContact O-CG 3.26Å; E798-R804 PolarHBondContact O-NE 3.18Å; E798-R804 VanDerWaalsContact O-NE 3.14Å; E798-S874 WeakPolarHBondContact CA-OG 3.49Å; E798-S874 PolarHBondContact O-OG 3.46Å |
| 799 | K | 93.2 | Very high | 97 | Very high | 74 Ų | 74 | 21.6 Ų | 21.6 | 32% | 0.322 | 10% | 0.102 | S | C | . | . | S | Bend | trans | -71.8 | -17.8 | -167.8 | 66.5 | -177.9 | 174.1 | -172.6 | 0 | 117 | V873 S874 | K799-V873 HydrophobicContact CB-CG1 4.14Å; K799-V873 HydrophobicContact CD-CG1 3.67Å; K799-V873 HydrophobicContact CG-CG1 3.87Å; K799-S874 PolarHBondContact N-OG 3.23Å |
| 800 | I | 94 | Very high | 97 | Very high | 42 Ų | 42 | 21.7 Ų | 21.7 | 22% | 0.215 | 10% | 0.103 | C | C | . | . | trans | -96.9 | 115 | -172.8 | -56.7 | 176.2 | 0 | 0 | 0 | 110.3 | D751 E798 R802 T803 R804 | D751-I800 HydrophobicContact CB-CD1 4.13Å; E798-I800 PolarHBondContact O-N 3.44Å; I800-R802 VanDerWaalsContact C-N 3.34Å; I800-R802 HydrophobicContact CG2-CB 4.45Å; I800-R802 PolarHBondContact O-N 3.15Å; I800-T803 WeakPolarHBondContact CG2-OG1 3.17Å; I800-T803 PolarHBondContact O-N 2.73Å; I800-T803 VanDerWaalsContact O-N 3.16Å; I800-R804 PolarHBondContact O-N 2.99Å | ||
| 801 | D | 94.7 | Very high | 97 | Very high | 67 Ų | 67 | 21.3 Ų | 21.3 | 36% | 0.358 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -55.1 | -43.7 | -176.5 | -61 | -8.8 | 0 | 0 | 0 | 113.7 | R804 G805 N845 | D801-R804 IonicContact OD1-CZ 3.18Å; D801-R804 IonicContact OD1-NH2 2.66Å; D801-R804 PolarHBondContact OD1-NH2 3.16Å; D801-G805 PolarHBondContact O-N 2.87Å; D801-N845 WeakPolarHBondContact O-CB 3.26Å |
| 802 | R | 95.5 | Very high | 97 | Very high | 116 Ų | 116 | 21.4 Ų | 21.4 | 44% | 0.438 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -65 | -44.3 | 178.9 | -178.6 | 178.9 | 58.3 | 106.9 | 4.5 | 111.9 | E758 I800 G805 V806 | E758-R802 IonicContact OE1-CZ 3.16Å; E758-R802 IonicContact OE1-NE 3.64Å; E758-R802 PolarHBondContact OE1-NE 3.25Å; E758-R802 IonicContact OE1-NH1 2.59Å; E758-R802 PolarHBondContact OE1-NH1 3.34Å; E758-R802 IonicContact OE1-NH2 3.31Å; E758-R802 PolarHBondContact OE1-NH2 3.23Å; E758-R802 VanDerWaalsContact OE1-NH2 3.09Å; E758-R802 IonicContact OE2-CZ 3.83Å; E758-R802 IonicContact OE2-NE 2.64Å; E758-R802 IonicContact OE2-NH1 3.58Å; E758-R802 PolarHBondContact OE2-NH1 2.69Å; E758-R802 IonicContact OE2-NH2 3.6Å; I800-R802 VanDerWaalsContact C-N 3.34Å; I800-R802 HydrophobicContact CG2-CB 4.45Å; I800-R802 PolarHBondContact O-N 3.15Å; R802-G805 WeakPolarHBondContact O-CA 3.34Å; R802-G805 PolarHBondContact O-N 3.08Å; R802-V806 PolarHBondContact O-N 3.23Å |
| 803 | T | 96.7 | Very high | 96.9 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.9 | -41.7 | 179.8 | -50.1 | 0 | 0 | 0 | 0 | 111 | E758 M761 I800 G805 V806 A807 | E758-T803 HydrophobicContact CG-CG2 3.92Å; E758-T803 WeakPolarHBondContact OE1-CA 3.29Å; E758-T803 PolarHBondContact OE1-N 2.88Å; E758-T803 PolarHBondContact OE1-OG1 3.07Å; M761-T803 HydrophobicContact CE-CG2 3.91Å; I800-T803 WeakPolarHBondContact CG2-OG1 3.17Å; I800-T803 PolarHBondContact O-N 2.73Å; I800-T803 VanDerWaalsContact O-N 3.16Å; T803-G805 VanDerWaalsContact C-N 3.3Å; T803-G805 PolarHBondContact O-N 3.33Å; T803-V806 PolarHBondContact O-N 2.9Å; T803-A807 WeakPolarHBondContact O-CB 3.22Å; T803-A807 PolarHBondContact O-N 3.15Å |
| 804 | R | 96.9 | Very high | 96.9 | Very high | 2 Ų | 2 | 25.3 Ų | 25.3 | 1% | 0.008 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.9 | -40.3 | 170.9 | -71.5 | -167.9 | -72.8 | 145.6 | 5.8 | 112.7 | Q795 A796 E798 I800 D801 V806 A807 G808 | Q795-R804 WeakPolarHBondContact O-CG 3.19Å; A796-R804 WeakPolarHBondContact O-CD 3.49Å; A796-R804 VanDerWaalsContact O-CG 3.29Å; A796-R804 WeakPolarHBondContact O-CG 3.42Å; E798-R804 WeakPolarHBondContact O-CD 3.49Å; E798-R804 VanDerWaalsContact O-CG 3.27Å; E798-R804 WeakPolarHBondContact O-CG 3.26Å; E798-R804 PolarHBondContact O-NE 3.18Å; E798-R804 VanDerWaalsContact O-NE 3.14Å; I800-R804 PolarHBondContact O-N 2.99Å; D801-R804 IonicContact OD1-CZ 3.18Å; D801-R804 IonicContact OD1-NH2 2.66Å; D801-R804 PolarHBondContact OD1-NH2 3.16Å; R804-V806 VanDerWaalsContact C-N 3.35Å; R804-V806 PolarHBondContact O-N 3.21Å; R804-A807 PolarHBondContact O-N 3.15Å; R804-G808 PolarHBondContact O-N 3Å |
| 805 | G | 96.9 | Very high | 96.9 | Very high | 8 Ų | 8 | 25.1 Ų | 25.1 | 8% | 0.082 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -56.7 | -46.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | D801 R802 T803 Q809 W844 | D801-G805 PolarHBondContact O-N 2.87Å; R802-G805 WeakPolarHBondContact O-CA 3.34Å; R802-G805 PolarHBondContact O-N 3.08Å; T803-G805 VanDerWaalsContact C-N 3.3Å; T803-G805 PolarHBondContact O-N 3.33Å; G805-Q809 VanDerWaalsContact O-CG 3.26Å; G805-Q809 WeakPolarHBondContact O-CG 3.39Å; G805-Q809 PolarHBondContact O-N 3.03Å; G805-W844 WeakPolarHBondContact O-CB 3.42Å |
| 806 | V | 98.1 | Very high | 96.8 | Very high | 9 Ų | 9 | 26.6 Ų | 26.6 | 6% | 0.055 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66 | -45.4 | 175.7 | 176.6 | 0 | 0 | 0 | 0 | 111.3 | E758 M761 K762 R802 T803 R804 G808 Q809 V810 | E758-V806 HydrophobicContact CB-CG1 4.43Å; E758-V806 HydrophobicContact CB-CG2 4.36Å; E758-V806 HydrophobicContact CG-CB 4.24Å; E758-V806 HydrophobicContact CG-CG2 4.06Å; M761-V806 HydrophobicContact CB-CG1 4.33Å; M761-V806 HydrophobicContact CE-CB 4.18Å; M761-V806 HydrophobicContact CE-CG1 3.95Å; K762-V806 HydrophobicContact CD-CG1 4.37Å; K762-V806 HydrophobicContact CG-CG1 3.91Å; R802-V806 PolarHBondContact O-N 3.23Å; T803-V806 PolarHBondContact O-N 2.9Å; R804-V806 VanDerWaalsContact C-N 3.35Å; R804-V806 PolarHBondContact O-N 3.21Å; V806-G808 PolarHBondContact O-N 3.21Å; V806-Q809 PolarHBondContact O-N 2.89Å; V806-V810 HydrophobicContact CG1-CG2 4.26Å; V806-V810 WeakPolarHBondContact O-CB 3.41Å; V806-V810 WeakPolarHBondContact O-CG2 3.38Å; V806-V810 PolarHBondContact O-N 3.24Å |
| 807 | A | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61 | -45.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | M761 I792 Q795 A796 T803 R804 V810 F811 | M761-A807 HydrophobicContact CE-CB 3.98Å; M761-A807 HydrophobicContact SD-CB 3.56Å; M761-A807 VanDerWaalsContact SD-CB 3.56Å; I792-A807 HydrophobicContact CG2-CB 4.25Å; I792-A807 VanDerWaalsContact CG2-O 3.24Å; I792-A807 WeakPolarHBondContact CG2-O 3.28Å; Q795-A807 HydrophobicContact CB-CB 3.62Å; A796-A807 HydrophobicContact CB-CB 3.84Å; T803-A807 WeakPolarHBondContact O-CB 3.22Å; T803-A807 PolarHBondContact O-N 3.15Å; R804-A807 PolarHBondContact O-N 3.15Å; A807-V810 PolarHBondContact O-N 2.86Å; A807-F811 VanDerWaalsContact O-CB 3.25Å; A807-F811 WeakPolarHBondContact O-CB 3.46Å; A807-F811 PolarHBondContact O-N 3.31Å |
| 808 | G | 97.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63 | -42.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | R804 V806 F811 A812 | R804-G808 PolarHBondContact O-N 3Å; V806-G808 PolarHBondContact O-N 3.21Å; G808-F811 PolarHBondContact O-N 3.08Å; G808-A812 WeakPolarHBondContact O-CB 3.45Å; G808-A812 PolarHBondContact O-N 3.07Å |
| 809 | Q | 97.4 | Very high | 96.5 | Very high | 106 Ų | 106 | 36.7 Ų | 36.7 | 50% | 0.495 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.1 | -48.5 | 175 | -74.3 | 173.6 | -13.6 | 0 | 0 | 111.8 | G805 V806 A812 H813 W844 | G805-Q809 VanDerWaalsContact O-CG 3.26Å; G805-Q809 WeakPolarHBondContact O-CG 3.39Å; G805-Q809 PolarHBondContact O-N 3.03Å; V806-Q809 PolarHBondContact O-N 2.89Å; Q809-A812 PolarHBondContact O-N 3.44Å; Q809-H813 WeakPolarHBondContact O-CB 3.01Å; Q809-H813 PolarHBondContact O-N 2.9Å; Q809-W844 HydrophobicContact CG-CB 4.21Å; Q809-W844 VanDerWaalsContact CG-CD1 3.4Å; Q809-W844 HydrophobicContact CG-CG 3.85Å |
| 810 | V | 98.3 | Very high | 96.5 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.024 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.5 | -42.6 | 179.8 | 168.8 | 0 | 0 | 0 | 0 | 111.2 | M761 K762 D765 I792 V806 A807 A812 H813 L814 | M761-V810 HydrophobicContact CB-CG1 4.49Å; M761-V810 HydrophobicContact CB-CG2 4.26Å; K762-V810 HydrophobicContact CG-CG2 4.41Å; D765-V810 HydrophobicContact CB-CG1 3.82Å; D765-V810 HydrophobicContact CB-CG2 4.23Å; I792-V810 HydrophobicContact CD1-CG1 3.74Å; I792-V810 HydrophobicContact CG1-CG1 4.39Å; I792-V810 HydrophobicContact CG2-CG1 4.39Å; V806-V810 HydrophobicContact CG1-CG2 4.26Å; V806-V810 WeakPolarHBondContact O-CB 3.41Å; V806-V810 WeakPolarHBondContact O-CG2 3.38Å; V806-V810 PolarHBondContact O-N 3.24Å; A807-V810 PolarHBondContact O-N 2.86Å; V810-A812 VanDerWaalsContact C-N 3.34Å; V810-A812 PolarHBondContact O-N 3.29Å; V810-H813 PolarHBondContact O-N 3.49Å; V810-L814 HydrophobicContact CG1-CD1 3.94Å; V810-L814 HydrophobicContact CG1-CG 4.37Å; V810-L814 WeakPolarHBondContact O-CG 3.38Å; V810-L814 PolarHBondContact O-N 3.38Å |
| 811 | F | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.3 | -46.9 | 177 | -169.5 | -85.7 | 0 | 0 | 0 | 111.5 | M789 I792 A793 A807 G808 L815 L830 F834 F854 L857 Y863 | M789-F811 HydrophobicContact CE-CD1 4.41Å; M789-F811 HydrophobicContact CE-CD2 3.9Å; M789-F811 HydrophobicContact CE-CE1 4.03Å; M789-F811 HydrophobicContact CE-CE2 3.48Å; M789-F811 VanDerWaalsContact CE-CE2 3.48Å; M789-F811 HydrophobicContact CE-CG 4.34Å; M789-F811 HydrophobicContact CE-CZ 3.54Å; M789-F811 HydrophobicContact SD-CE2 4.45Å; I792-F811 HydrophobicContact CB-CD2 4.46Å; I792-F811 HydrophobicContact CG2-CB 3.82Å; I792-F811 HydrophobicContact CG2-CD2 4.14Å; A793-F811 HydrophobicContact CB-CD2 4.36Å; A793-F811 HydrophobicContact CB-CE2 4.02Å; A807-F811 VanDerWaalsContact O-CB 3.25Å; A807-F811 WeakPolarHBondContact O-CB 3.46Å; A807-F811 PolarHBondContact O-N 3.31Å; G808-F811 PolarHBondContact O-N 3.08Å; F811-L815 HydrophobicContact CE1-CD2 4.43Å; F811-L815 WeakPolarHBondContact O-CB 3.48Å; F811-L815 PolarHBondContact O-N 2.84Å; F811-L815 VanDerWaalsContact O-N 3.09Å; F811-L830 HydrophobicContact CZ-CD1 4.45Å; F811-L830 HydrophobicContact CZ-CD2 4.31Å; F811-F834 HydrophobicContact CD1-CD2 4.29Å; F811-F834 HydrophobicContact CD1-CE2 4.12Å; F811-F834 HydrophobicContact CD1-CZ 4.49Å; F811-F834 AromaticContact CE1-CD2 3.72Å; F811-F834 HydrophobicContact CE1-CD2 3.72Å; F811-F834 AromaticContact CE1-CE2 3.52Å; F811-F834 HydrophobicContact CE1-CE2 3.52Å; F811-F834 HydrophobicContact CE1-CZ 4.26Å; F811-F834 HydrophobicContact CZ-CE2 4.27Å; F811-F854 HydrophobicContact CB-CZ 4.37Å; F811-F854 HydrophobicContact CD1-CE1 4.16Å; F811-F854 HydrophobicContact CD1-CZ 4.39Å; F811-F854 HydrophobicContact CD2-CE1 4.19Å; F811-F854 HydrophobicContact CE1-CE1 4.47Å; F811-F854 HydrophobicContact CE2-CE1 4.48Å; F811-F854 HydrophobicContact CG-CE1 4.03Å; F811-F854 HydrophobicContact CG-CZ 4.29Å; F811-L857 HydrophobicContact CE2-CD2 4.28Å; F811-L857 HydrophobicContact CZ-CD2 3.77Å; F811-Y863 HydrophobicContact CE2-CE1 4.16Å; F811-Y863 HydrophobicContact CZ-CE1 4.42Å |
| 812 | A | 97.5 | Very high | 96.4 | Very high | 9 Ų | 9 | 36.9 Ų | 36.9 | 7% | 0.074 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.9 | -39.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G808 Q809 V810 L815 H816 C839 W844 | G808-A812 WeakPolarHBondContact O-CB 3.45Å; G808-A812 PolarHBondContact O-N 3.07Å; Q809-A812 PolarHBondContact O-N 3.44Å; V810-A812 VanDerWaalsContact C-N 3.34Å; V810-A812 PolarHBondContact O-N 3.29Å; A812-L815 PolarHBondContact O-N 3.07Å; A812-H816 WeakPolarHBondContact O-CB 3.29Å; A812-H816 PolarHBondContact O-CD2 3.35Å; A812-H816 PolarHBondContact O-N 3.05Å; A812-C839 HydrophobicContact CB-CB 3.95Å; A812-W844 HydrophobicContact CB-CH2 3.9Å; A812-W844 HydrophobicContact CB-CZ2 3.53Å |
| 813 | H | 97.3 | Very high | 96.3 | Very high | 79 Ų | 79 | 35.6 Ų | 35.6 | 37% | 0.366 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -63.6 | -47.2 | 178.3 | -171.4 | -112.6 | 0 | 0 | 0 | 111.7 | D765 E769 Q809 V810 L815 H816 H817 | D765-H813 VanDerWaalsContact CG-ND1 3.33Å; D765-H813 IonicContact OD1-CE1 2.72Å; D765-H813 IonicContact OD1-CG 2.81Å; D765-H813 IonicContact OD1-ND1 3.77Å; D765-H813 PolarHBondContact OD1-ND1 3.48Å; D765-H813 IonicContact OD2-CE1 3.95Å; D765-H813 IonicContact OD2-CG 3.15Å; D765-H813 IonicContact OD2-ND1 3.98Å; D765-H813 PolarHBondContact OD2-ND1 2.96Å; D765-H813 VanDerWaalsContact OD2-ND1 3.15Å; E769-H813 IonicContact OE2-CE1 2.96Å; Q809-H813 WeakPolarHBondContact O-CB 3.01Å; Q809-H813 PolarHBondContact O-N 2.9Å; V810-H813 PolarHBondContact O-N 3.49Å; H813-L815 PolarHBondContact O-N 2.91Å; H813-H816 CarbonylContact O-C 3.55Å; H813-H816 PolarHBondContact O-N 3.41Å; H813-H817 WeakPolarHBondContact O-CA 3.49Å; H813-H817 WeakPolarHBondContact O-CB 3.43Å; H813-H817 PolarHBondContact O-N 3.05Å |
| 814 | L | 97.6 | Very high | 96.2 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.9 | -44.9 | 175.8 | -70.2 | 172 | 0 | 0 | 0 | 112.1 | I768 V788 M789 I792 V810 H816 H817 I821 | I768-L814 HydrophobicContact CB-CD2 4.11Å; I768-L814 HydrophobicContact CD1-CD2 4.05Å; I768-L814 HydrophobicContact CG2-CD2 4.16Å; V788-L814 HydrophobicContact CG1-CD1 3.79Å; M789-L814 HydrophobicContact SD-CB 4.13Å; M789-L814 HydrophobicContact SD-CD1 4.19Å; I792-L814 HydrophobicContact CD1-CD1 3.42Å; I792-L814 VanDerWaalsContact CD1-CD1 3.42Å; V810-L814 HydrophobicContact CG1-CD1 3.94Å; V810-L814 HydrophobicContact CG1-CG 4.37Å; V810-L814 WeakPolarHBondContact O-CG 3.38Å; V810-L814 PolarHBondContact O-N 3.38Å; L814-H816 VanDerWaalsContact C-N 3.3Å; L814-H816 PolarHBondContact O-N 3.2Å; L814-H817 PolarHBondContact O-N 3.42Å; L814-I821 HydrophobicContact CB-CD1 3.94Å; L814-I821 HydrophobicContact CD2-CD1 3.46Å; L814-I821 VanDerWaalsContact CD2-CD1 3.46Å; L814-I821 HydrophobicContact CG-CD1 4.32Å; L814-I821 VanDerWaalsContact O-CD1 3.25Å; L814-I821 WeakPolarHBondContact O-CD1 3.34Å |
| 815 | L | 97.8 | Very high | 96.1 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.8 | -34.1 | -180 | -178.2 | 63.9 | 0 | 0 | 0 | 113.2 | F811 A812 H813 I824 F827 L830 K831 F834 | F811-L815 HydrophobicContact CE1-CD2 4.43Å; F811-L815 WeakPolarHBondContact O-CB 3.48Å; F811-L815 PolarHBondContact O-N 2.84Å; F811-L815 VanDerWaalsContact O-N 3.09Å; A812-L815 PolarHBondContact O-N 3.07Å; H813-L815 PolarHBondContact O-N 2.91Å; L815-I824 HydrophobicContact CD1-CG2 4.29Å; L815-F827 HydrophobicContact CD1-CD2 3.8Å; L815-F827 HydrophobicContact CD1-CE2 4Å; L815-F827 WeakPolarHBondContact O-CE2 3.16Å; L815-L830 HydrophobicContact CD1-CB 3.83Å; L815-L830 HydrophobicContact CD1-CD1 4.38Å; L815-L830 HydrophobicContact CD2-CB 4Å; L815-K831 HydrophobicContact CD1-CG 4.12Å; L815-K831 HydrophobicContact CD2-CG 4.35Å; L815-K831 HydrophobicContact CG-CG 4.09Å; L815-F834 HydrophobicContact CD2-CB 3.92Å; L815-F834 HydrophobicContact CD2-CD2 4.34Å |
| 816 | H | 96.8 | Very high | 96 | Very high | 32 Ų | 32 | 39.5 Ų | 39.5 | 15% | 0.148 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | 16.2 | -176.6 | -67 | -71 | 0 | 0 | 0 | 114.1 | A812 H813 L814 F834 K836 | A812-H816 WeakPolarHBondContact O-CB 3.29Å; A812-H816 PolarHBondContact O-CD2 3.35Å; A812-H816 PolarHBondContact O-N 3.05Å; H813-H816 CarbonylContact O-C 3.55Å; H813-H816 PolarHBondContact O-N 3.41Å; L814-H816 VanDerWaalsContact C-N 3.3Å; L814-H816 PolarHBondContact O-N 3.2Å; H816-F834 PolarHBondContact CE1-O 3.46Å; H816-F834 PolarHBondContact NE2-O 3.29Å; H816-K836 HydrophobicContact CB-CD 4.32Å |
| 817 | H | 95.7 | Very high | 95.9 | Very high | 17 Ų | 17 | 41.1 Ų | 41.1 | 8% | 0.079 | 21% | 0.213 | C | C | . | . | trans | -61 | 147.1 | 176 | -173.3 | -83.7 | 0 | 0 | 0 | 110.6 | E769 H813 L814 P819 P820 I821 | E769-H817 WeakPolarHBondContact CG-NE2 3.45Å; H813-H817 WeakPolarHBondContact O-CA 3.49Å; H813-H817 WeakPolarHBondContact O-CB 3.43Å; H813-H817 PolarHBondContact O-N 3.05Å; L814-H817 PolarHBondContact O-N 3.42Å; H817-P819 CarbonylContact C-O 3.6Å; H817-P819 PolarHBondContact ND1-O 3.07Å; H817-P819 CarbonylContact O-C 3.54Å; H817-P820 WeakPolarHBondContact O-CA 3.38Å; H817-I821 HydrophobicContact CB-CD1 4.01Å; H817-I821 HydrophobicContact CB-CG1 3.91Å | ||
| 818 | D | 93.5 | Very high | 95.8 | Very high | 138 Ų | 138 | 46.6 Ų | 46.6 | 74% | 0.738 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -130.3 | 117.6 | 178 | -173.1 | 30 | 0 | 0 | 0 | 109.3 | ||
| 819 | P | 93.6 | Very high | 95.7 | Very high | 61 Ų | 61 | 50.7 Ų | 50.7 | 40% | 0.396 | 26% | 0.257 | S | S | . | . | S | Bend | cis | -68.1 | 154.9 | 3.6 | 29.2 | -33.5 | 0 | 0 | 0 | 112.9 | V772 H817 | V772-P819 HydrophobicContact CG1-CG 3.72Å; H817-P819 CarbonylContact C-O 3.6Å; H817-P819 PolarHBondContact ND1-O 3.07Å; H817-P819 CarbonylContact O-C 3.54Å |
| 820 | P | 93.3 | Very high | 95.7 | Very high | 75 Ų | 75 | 45.6 Ų | 45.6 | 49% | 0.487 | 23% | 0.233 | S | C | . | . | P | Polyproline II helix | trans | -61.8 | 138.6 | -175.2 | 25.2 | -34.4 | 0 | 0 | 0 | 111.9 | H817 E822 F827 | H817-P820 WeakPolarHBondContact O-CA 3.38Å; P820-E822 PolarHBondContact O-N 3.27Å; P820-F827 HydrophobicContact CB-CZ 4.09Å |
| 821 | I | 94 | Very high | 95.7 | Very high | 8 Ų | 8 | 48.4 Ų | 48.4 | 4% | 0.041 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -71.8 | 122.9 | 175.7 | -53.2 | 178.3 | 0 | 0 | 0 | 108.6 | I768 V772 I785 L814 H817 I824 | I768-I821 HydrophobicContact CG2-CD1 3.72Å; I768-I821 HydrophobicContact CG2-CG1 4.34Å; I768-I821 HydrophobicContact CG2-CG2 4.13Å; V772-I821 HydrophobicContact CG2-CG1 4.18Å; V772-I821 HydrophobicContact CG2-CG2 4.45Å; I785-I821 HydrophobicContact CD1-CG2 3.8Å; I785-I821 HydrophobicContact CG1-CG2 4.3Å; L814-I821 HydrophobicContact CB-CD1 3.94Å; L814-I821 HydrophobicContact CD2-CD1 3.46Å; L814-I821 VanDerWaalsContact CD2-CD1 3.46Å; L814-I821 HydrophobicContact CG-CD1 4.32Å; L814-I821 VanDerWaalsContact O-CD1 3.25Å; L814-I821 WeakPolarHBondContact O-CD1 3.34Å; H817-I821 HydrophobicContact CB-CD1 4.01Å; H817-I821 HydrophobicContact CB-CG1 3.91Å; I821-I824 HydrophobicContact CB-CD1 3.96Å; I821-I824 HydrophobicContact CB-CG1 4.38Å; I821-I824 HydrophobicContact CG2-CD1 4.47Å; I821-I824 HydrophobicContact CG2-CG1 4.44Å |
| 822 | E | 92.6 | Very high | 95.6 | Very high | 105 Ų | 105 | 55.6 Ų | 55.6 | 49% | 0.491 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | 154.4 | 177.9 | -63.2 | -178.5 | 175.9 | 0 | 0 | 111.6 | P820 I824 | P820-E822 PolarHBondContact O-N 3.27Å; E822-I824 PolarHBondContact O-N 3.32Å |
| 823 | H | 94.3 | Very high | 95.5 | Very high | 89 Ų | 89 | 56.1 Ų | 56.1 | 41% | 0.412 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 14.2 | 174.6 | -47.2 | -67.3 | 0 | 0 | 0 | 118.3 | I780 I785 S825 | I780-H823 PolarHBondContact O-CD2 2.94Å; I780-H823 PolarHBondContact O-NE2 3.45Å; I785-H823 HydrophobicContact CB-CB 4.45Å; H823-S825 PolarHBondContact O-N 2.93Å; H823-S825 VanDerWaalsContact O-N 3.15Å |
| 824 | I | 95.4 | Very high | 95.5 | Very high | 13 Ų | 13 | 52.5 Ų | 52.5 | 7% | 0.067 | 26% | 0.263 | C | S | . | . | trans | -65.8 | 115.2 | 167.8 | -63.6 | 176.5 | 0 | 0 | 0 | 109.3 | I785 M789 L815 I821 E822 F827 L830 | I785-I824 HydrophobicContact CG2-CB 4.35Å; I785-I824 HydrophobicContact CG2-CG1 3.62Å; M789-I824 HydrophobicContact CE-CG2 4.26Å; M789-I824 HydrophobicContact CG-CG1 4.49Å; L815-I824 HydrophobicContact CD1-CG2 4.29Å; I821-I824 HydrophobicContact CB-CD1 3.96Å; I821-I824 HydrophobicContact CB-CG1 4.38Å; I821-I824 HydrophobicContact CG2-CD1 4.47Å; I821-I824 HydrophobicContact CG2-CG1 4.44Å; E822-I824 PolarHBondContact O-N 3.32Å; I824-F827 HydrophobicContact CB-CB 4.49Å; I824-F827 HydrophobicContact CB-CD2 3.85Å; I824-F827 HydrophobicContact CD1-CD2 4.11Å; I824-F827 HydrophobicContact CD1-CE2 4.08Å; I824-F827 HydrophobicContact CG2-CB 4.46Å; I824-F827 HydrophobicContact CG2-CD2 3.96Å; I824-L830 HydrophobicContact CG2-CD1 3.86Å | ||
| 825 | S | 93.9 | Very high | 95.5 | Very high | 24 Ų | 24 | 54.2 Ų | 54.2 | 17% | 0.168 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 138.1 | 175.6 | -55.6 | 0 | 0 | 0 | 0 | 111.4 | H823 F827 L830 | H823-S825 PolarHBondContact O-N 2.93Å; H823-S825 VanDerWaalsContact O-N 3.15Å; S825-F827 VanDerWaalsContact C-N 3.27Å; S825-F827 PolarHBondContact O-N 3.42Å; S825-L830 VanDerWaalsContact O-CD1 3.25Å; S825-L830 WeakPolarHBondContact O-CD1 3.45Å |
| 826 | H | 95.1 | Very high | 95.3 | Very high | 56 Ų | 56 | 59.6 Ų | 59.6 | 26% | 0.259 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 38.4 | -179.4 | -48.2 | -72.4 | 0 | 0 | 0 | 113.6 | E828 E829 L830 F860 E862 | H826-E828 PolarHBondContact O-N 3.4Å; H826-E829 WeakPolarHBondContact CA-OE2 3.4Å; H826-E829 HydrophobicContact CB-CB 4.33Å; H826-E829 PolarHBondContact O-N 3.28Å; H826-L830 HydrophobicContact CB-CG 4.46Å; H826-L830 WeakPolarHBondContact O-CB 3.42Å; H826-L830 VanDerWaalsContact O-CG 3.26Å; H826-L830 WeakPolarHBondContact O-CG 3.49Å; H826-L830 PolarHBondContact O-N 3.09Å; H826-F860 HydrophobicContact CB-CD1 3.89Å; H826-F860 HydrophobicContact CB-CD2 4.42Å; H826-F860 HydrophobicContact CB-CE1 3.79Å; H826-F860 HydrophobicContact CB-CE2 4.34Å; H826-F860 HydrophobicContact CB-CG 4.22Å; H826-F860 HydrophobicContact CB-CZ 4.04Å; H826-F860 AromaticContact CD2-CD1 3.42Å; H826-F860 VanDerWaalsContact CD2-CD1 3.42Å; H826-F860 WeakPolarHBondContact CD2-CD1 3.32Å; H826-F860 AromaticContact CD2-CG 3.46Å; H826-F860 VanDerWaalsContact CD2-CG 3.46Å; H826-F860 WeakPolarHBondContact CD2-CG 3.27Å; H826-F860 AromaticContact CE1-CD1 3.68Å; H826-F860 AromaticContact CG-CD1 3.31Å; H826-F860 AromaticContact CG-CE1 3.66Å; H826-F860 AromaticContact CG-CG 3.76Å; H826-F860 AromaticContact ND1-CD1 3.51Å; H826-F860 AromaticContact ND1-CE1 3.82Å; H826-F860 AromaticContact NE2-CD1 3.64Å; H826-F860 AromaticContact NE2-CG 3.89Å; H826-E862 IonicContact CD2-OE2 3.55Å; H826-E862 IonicContact CE1-OE2 3.96Å; H826-E862 IonicContact NE2-OE1 3.68Å; H826-E862 IonicContact NE2-OE2 2.82Å; H826-E862 PolarHBondContact NE2-OE2 3.41Å |
| 827 | F | 95.1 | Very high | 95.1 | Very high | 43 Ų | 43 | 61.7 Ų | 61.7 | 19% | 0.189 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -53.1 | -46.1 | -171 | -176.3 | -118.5 | 0 | 0 | 0 | 114.4 | L815 P820 I824 S825 K831 | L815-F827 HydrophobicContact CD1-CD2 3.8Å; L815-F827 HydrophobicContact CD1-CE2 4Å; L815-F827 WeakPolarHBondContact O-CE2 3.16Å; P820-F827 HydrophobicContact CB-CZ 4.09Å; I824-F827 HydrophobicContact CB-CB 4.49Å; I824-F827 HydrophobicContact CB-CD2 3.85Å; I824-F827 HydrophobicContact CD1-CD2 4.11Å; I824-F827 HydrophobicContact CD1-CE2 4.08Å; I824-F827 HydrophobicContact CG2-CB 4.46Å; I824-F827 HydrophobicContact CG2-CD2 3.96Å; S825-F827 VanDerWaalsContact C-N 3.27Å; S825-F827 PolarHBondContact O-N 3.42Å; F827-K831 HydrophobicContact CD1-CD 4.47Å; F827-K831 HydrophobicContact CE1-CD 4.15Å; F827-K831 HydrophobicContact CZ-CD 4.22Å; F827-K831 WeakPolarHBondContact O-CG 3.1Å; F827-K831 PolarHBondContact O-N 3.42Å; F827-K831 VanDerWaalsContact O-N 3.09Å |
| 828 | E | 96.2 | Very high | 95 | Very high | 114 Ų | 114 | 63.8 Ų | 63.8 | 53% | 0.533 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -72.7 | -39.2 | -177.6 | -67.4 | -58.5 | 145.4 | 0 | 0 | 111.4 | H826 K831 Q832 | H826-E828 PolarHBondContact O-N 3.4Å; E828-K831 WeakPolarHBondContact O-CB 3.44Å; E828-K831 PolarHBondContact O-N 3Å; E828-Q832 WeakPolarHBondContact O-CG 3.16Å; E828-Q832 PolarHBondContact O-N 2.79Å |
| 829 | E | 97.1 | Very high | 94.9 | Very high | 87 Ų | 87 | 57.7 Ų | 57.7 | 41% | 0.407 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.3 | -41.9 | 176.6 | -59.9 | 84 | 169.7 | 0 | 0 | 111.3 | H826 K831 Q832 I833 F860 | H826-E829 WeakPolarHBondContact CA-OE2 3.4Å; H826-E829 HydrophobicContact CB-CB 4.33Å; H826-E829 PolarHBondContact O-N 3.28Å; E829-K831 VanDerWaalsContact C-N 3.31Å; E829-K831 PolarHBondContact O-N 3.02Å; E829-Q832 WeakPolarHBondContact O-CB 3.36Å; E829-Q832 PolarHBondContact O-N 3.17Å; E829-Q832 VanDerWaalsContact O-N 3.1Å; E829-I833 WeakPolarHBondContact O-CG1 3.37Å; E829-I833 PolarHBondContact O-N 3.33Å; E829-F860 HydrophobicContact CB-CE1 4.1Å; E829-F860 HydrophobicContact CB-CZ 3.62Å; E829-F860 HydrophobicContact CG-CE1 4.4Å; E829-F860 HydrophobicContact CG-CZ 4.37Å |
| 830 | L | 97.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.3 | -39.9 | 173.4 | -71.7 | 177.8 | 0 | 0 | 0 | 111.6 | F811 L815 I824 S825 H826 Q832 I833 F834 L857 F860 Y863 | F811-L830 HydrophobicContact CZ-CD1 4.45Å; F811-L830 HydrophobicContact CZ-CD2 4.31Å; L815-L830 HydrophobicContact CD1-CB 3.83Å; L815-L830 HydrophobicContact CD1-CD1 4.38Å; L815-L830 HydrophobicContact CD2-CB 4Å; I824-L830 HydrophobicContact CG2-CD1 3.86Å; S825-L830 VanDerWaalsContact O-CD1 3.25Å; S825-L830 WeakPolarHBondContact O-CD1 3.45Å; H826-L830 HydrophobicContact CB-CG 4.46Å; H826-L830 WeakPolarHBondContact O-CB 3.42Å; H826-L830 VanDerWaalsContact O-CG 3.26Å; H826-L830 WeakPolarHBondContact O-CG 3.49Å; H826-L830 PolarHBondContact O-N 3.09Å; L830-Q832 VanDerWaalsContact C-N 3.28Å; L830-Q832 PolarHBondContact O-N 3.35Å; L830-I833 PolarHBondContact O-N 2.91Å; L830-F834 PolarHBondContact O-N 2.72Å; L830-L857 HydrophobicContact CD2-CD1 3.82Å; L830-L857 HydrophobicContact CD2-CD2 3.89Å; L830-L857 HydrophobicContact CD2-CG 3.63Å; L830-F860 HydrophobicContact CD2-CD2 4.33Å; L830-F860 HydrophobicContact CD2-CE2 3.99Å; L830-Y863 HydrophobicContact CD1-CE2 4.49Å; L830-Y863 WeakPolarHBondContact CD1-OH 3.44Å |
| 831 | K | 96.6 | Very high | 94.6 | Very high | 63 Ų | 63 | 63.9 Ų | 63.9 | 27% | 0.274 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.1 | -30.7 | 173.9 | -79.7 | -177.7 | 169.1 | 176.4 | 0 | 113.1 | L815 F827 E828 E829 F834 P835 | L815-K831 HydrophobicContact CD1-CG 4.12Å; L815-K831 HydrophobicContact CD2-CG 4.35Å; L815-K831 HydrophobicContact CG-CG 4.09Å; F827-K831 HydrophobicContact CD1-CD 4.47Å; F827-K831 HydrophobicContact CE1-CD 4.15Å; F827-K831 HydrophobicContact CZ-CD 4.22Å; F827-K831 WeakPolarHBondContact O-CG 3.1Å; F827-K831 PolarHBondContact O-N 3.42Å; F827-K831 VanDerWaalsContact O-N 3.09Å; E828-K831 WeakPolarHBondContact O-CB 3.44Å; E828-K831 PolarHBondContact O-N 3Å; E829-K831 VanDerWaalsContact C-N 3.31Å; E829-K831 PolarHBondContact O-N 3.02Å; K831-F834 CarbonylContact O-C 3.5Å; K831-P835 WeakPolarHBondContact O-CA 3.4Å; K831-P835 VanDerWaalsContact O-N 3.16Å |
| 832 | Q | 96.8 | Very high | 94.4 | Very high | 150 Ų | 150 | 65 Ų | 65 | 70% | 0.701 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -70.3 | -37.1 | 172.5 | -68.3 | 172.2 | 21.1 | 0 | 0 | 111.9 | E828 E829 L830 | E828-Q832 WeakPolarHBondContact O-CG 3.16Å; E828-Q832 PolarHBondContact O-N 2.79Å; E829-Q832 WeakPolarHBondContact O-CB 3.36Å; E829-Q832 PolarHBondContact O-N 3.17Å; E829-Q832 VanDerWaalsContact O-N 3.1Å; L830-Q832 VanDerWaalsContact C-N 3.28Å; L830-Q832 PolarHBondContact O-N 3.35Å |
| 833 | I | 96.3 | Very high | 94.4 | Very high | 21 Ų | 21 | 65.2 Ų | 65.2 | 11% | 0.108 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -72.5 | -36.8 | 176.6 | -64.2 | 168.2 | 0 | 0 | 0 | 111.5 | E829 L830 P835 R853 K856 L857 F860 | E829-I833 WeakPolarHBondContact O-CG1 3.37Å; E829-I833 PolarHBondContact O-N 3.33Å; L830-I833 PolarHBondContact O-N 2.91Å; I833-P835 VanDerWaalsContact C-CD 3.47Å; I833-P835 WeakPolarHBondContact O-CD 3.27Å; I833-R853 HydrophobicContact CG2-CB 4.28Å; I833-R853 PolarHBondContact O-NH1 3.36Å; I833-K856 HydrophobicContact CD1-CB 3.9Å; I833-K856 HydrophobicContact CG1-CB 4.34Å; I833-K856 HydrophobicContact CG1-CD 4.35Å; I833-K856 HydrophobicContact CG2-CB 4.33Å; I833-K856 HydrophobicContact CG2-CD 4.29Å; I833-L857 HydrophobicContact CD1-CD1 3.84Å; I833-L857 HydrophobicContact CG2-CD1 4.01Å; I833-F860 HydrophobicContact CD1-CE2 3.87Å; I833-F860 HydrophobicContact CD1-CZ 4.25Å |
| 834 | F | 96.8 | Very high | 94.4 | Very high | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.009 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -121.1 | 73 | 179.6 | -60.7 | -76 | 0 | 0 | 0 | 111.3 | F811 L815 H816 L830 K831 W844 R853 F854 L857 | F811-F834 HydrophobicContact CD1-CD2 4.29Å; F811-F834 HydrophobicContact CD1-CE2 4.12Å; F811-F834 HydrophobicContact CD1-CZ 4.49Å; F811-F834 AromaticContact CE1-CD2 3.72Å; F811-F834 HydrophobicContact CE1-CD2 3.72Å; F811-F834 AromaticContact CE1-CE2 3.52Å; F811-F834 HydrophobicContact CE1-CE2 3.52Å; F811-F834 HydrophobicContact CE1-CZ 4.26Å; F811-F834 HydrophobicContact CZ-CE2 4.27Å; L815-F834 HydrophobicContact CD2-CB 3.92Å; L815-F834 HydrophobicContact CD2-CD2 4.34Å; H816-F834 PolarHBondContact CE1-O 3.46Å; H816-F834 PolarHBondContact NE2-O 3.29Å; L830-F834 PolarHBondContact O-N 2.72Å; K831-F834 CarbonylContact O-C 3.5Å; F834-W844 HydrophobicContact CD1-CH2 4.04Å; F834-W844 HydrophobicContact CD1-CZ3 4.41Å; F834-W844 HydrophobicContact CE1-CH2 4.33Å; F834-W844 HydrophobicContact CE1-CZ3 4.24Å; F834-R853 HydrophobicContact CD1-CB 4.37Å; F834-R853 HydrophobicContact CE1-CB 3.62Å; F834-R853 HydrophobicContact CZ-CB 4.01Å; F834-F854 HydrophobicContact CE1-CD2 4.38Å; F834-F854 HydrophobicContact CE1-CE1 4.4Å; F834-F854 HydrophobicContact CE1-CE2 4.04Å; F834-F854 HydrophobicContact CE1-CZ 4.04Å; F834-F854 HydrophobicContact CE2-CE1 4.43Å; F834-F854 AromaticContact CZ-CD1 3.86Å; F834-F854 HydrophobicContact CZ-CD1 3.86Å; F834-F854 HydrophobicContact CZ-CD2 4.21Å; F834-F854 AromaticContact CZ-CE1 3.73Å; F834-F854 HydrophobicContact CZ-CE1 3.73Å; F834-F854 HydrophobicContact CZ-CE2 4.09Å; F834-F854 HydrophobicContact CZ-CG 4.08Å; F834-F854 AromaticContact CZ-CZ 3.84Å; F834-F854 HydrophobicContact CZ-CZ 3.84Å; F834-L857 HydrophobicContact CE2-CD1 3.61Å; F834-L857 HydrophobicContact CE2-CD2 4.33Å; F834-L857 HydrophobicContact CZ-CD1 4.19Å |
| 835 | P | 96.3 | Very high | 94.2 | Very high | 39 Ų | 39 | 65.2 Ų | 65.2 | 25% | 0.253 | 33% | 0.333 | S | S | . | . | trans | -61 | 140.9 | 174.4 | -21.2 | 33 | 0 | 0 | 0 | 111.1 | K831 I833 S837 D838 C839 | K831-P835 WeakPolarHBondContact O-CA 3.4Å; K831-P835 VanDerWaalsContact O-N 3.16Å; I833-P835 VanDerWaalsContact C-CD 3.47Å; I833-P835 WeakPolarHBondContact O-CD 3.27Å; P835-S837 VanDerWaalsContact C-N 3.29Å; P835-S837 PolarHBondContact O-N 3.19Å; P835-D838 HydrophobicContact CB-CB 4.43Å; P835-D838 WeakPolarHBondContact O-CB 2.99Å; P835-D838 PolarHBondContact O-N 2.88Å; P835-C839 PolarHBondContact O-N 3.18Å; P835-C839 PolarHBondContact O-SG 3.03Å; P835-C839 VanDerWaalsContact O-SG 3.41Å | ||
| 836 | K | 93.7 | Very high | 94.1 | Very high | 114 Ų | 114 | 65.6 Ų | 65.6 | 50% | 0.496 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -54.9 | -42.6 | -177.2 | -172.2 | 166.4 | -176.1 | 159.9 | 0 | 113 | H816 D838 C839 D840 | H816-K836 HydrophobicContact CB-CD 4.32Å; K836-D838 VanDerWaalsContact C-N 3.3Å; K836-D838 PolarHBondContact O-N 2.6Å; K836-C839 WeakPolarHBondContact O-CB 3.29Å; K836-C839 PolarHBondContact O-N 3.12Å; K836-D840 PolarHBondContact O-N 2.86Å; K836-D840 VanDerWaalsContact O-N 3.07Å |
| 837 | S | 93.4 | Very high | 93.9 | Very high | 77 Ų | 77 | 63.2 Ų | 63.2 | 54% | 0.538 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -57.6 | -41.7 | 176.2 | 54.2 | 0 | 0 | 0 | 0 | 112.9 | P835 | P835-S837 VanDerWaalsContact C-N 3.29Å; P835-S837 PolarHBondContact O-N 3.19Å |
| 838 | D | 92.5 | Very high | 93.6 | Very high | 60 Ų | 60 | 65.8 Ų | 65.8 | 32% | 0.321 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -71 | -38.7 | 179.8 | -68.8 | 9.8 | 0 | 0 | 0 | 110.3 | P835 K836 D841 M842 R853 | P835-D838 HydrophobicContact CB-CB 4.43Å; P835-D838 WeakPolarHBondContact O-CB 2.99Å; P835-D838 PolarHBondContact O-N 2.88Å; K836-D838 VanDerWaalsContact C-N 3.3Å; K836-D838 PolarHBondContact O-N 2.6Å; D838-D841 PolarHBondContact O-N 3.31Å; D838-M842 VanDerWaalsContact O-CB 3.27Å; D838-M842 WeakPolarHBondContact O-CB 3.34Å; D838-M842 PolarHBondContact O-N 3.19Å; D838-R853 IonicContact OD2-CZ 3.77Å; D838-R853 VanDerWaalsContact OD2-CZ 3.31Å; D838-R853 IonicContact OD2-NH1 3.31Å; D838-R853 PolarHBondContact OD2-NH1 3.03Å; D838-R853 IonicContact OD2-NH2 3.84Å; D838-R853 PolarHBondContact OD2-NH2 3.31Å |
| 839 | C | 93.3 | Very high | 93.1 | Very high | 11 Ų | 11 | 62.7 Ų | 62.7 | 7% | 0.074 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.3 | -39.7 | 179.9 | -70.5 | 0 | 0 | 0 | 0 | 113.2 | A812 P835 K836 D841 M842 W844 | A812-C839 HydrophobicContact CB-CB 3.95Å; P835-C839 PolarHBondContact O-N 3.18Å; P835-C839 PolarHBondContact O-SG 3.03Å; P835-C839 VanDerWaalsContact O-SG 3.41Å; K836-C839 WeakPolarHBondContact O-CB 3.29Å; K836-C839 PolarHBondContact O-N 3.12Å; C839-D841 VanDerWaalsContact C-N 3.35Å; C839-M842 PolarHBondContact O-N 3.26Å; C839-W844 HydrophobicContact CB-CZ2 3.87Å; C839-W844 PolarHBondContact O-NE1 3.06Å |
| 840 | D | 90.5 | Very high | 92.9 | Very high | 121 Ų | 121 | 58.7 Ų | 58.7 | 65% | 0.647 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -66.9 | -35.3 | -178.6 | -69 | -22.4 | 0 | 0 | 0 | 112 | K836 | K836-D840 PolarHBondContact O-N 2.86Å; K836-D840 VanDerWaalsContact O-N 3.07Å |
| 841 | D | 89.2 | Confident | 92.9 | Very high | 144 Ų | 144 | 58.7 Ų | 58.7 | 77% | 0.77 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -94.1 | -5.1 | 179.2 | -71.4 | -31.9 | 0 | 0 | 0 | 113.7 | D838 C839 | D838-D841 PolarHBondContact O-N 3.31Å; C839-D841 VanDerWaalsContact C-N 3.35Å |
| 842 | M | 90.4 | Very high | 92.8 | Very high | 31 Ų | 31 | 59.3 Ų | 59.3 | 15% | 0.153 | 32% | 0.317 | C | S | . | . | trans | -70.5 | 132.4 | -172.3 | -170.6 | 65.2 | 63.8 | 0 | 0 | 113 | D838 C839 W844 | D838-M842 VanDerWaalsContact O-CB 3.27Å; D838-M842 WeakPolarHBondContact O-CB 3.34Å; D838-M842 PolarHBondContact O-N 3.19Å; C839-M842 PolarHBondContact O-N 3.26Å; M842-W844 HydrophobicContact CB-CD2 4.05Å; M842-W844 HydrophobicContact CB-CG 4.36Å; M842-W844 HydrophobicContact CB-CZ2 3.99Å; M842-W844 HydrophobicContact CG-CD2 3.7Å; M842-W844 HydrophobicContact CG-CE3 3.91Å; M842-W844 HydrophobicContact CG-CG 4.13Å; M842-W844 HydrophobicContact CG-CH2 4.38Å; M842-W844 HydrophobicContact CG-CZ2 4.16Å; M842-W844 HydrophobicContact CG-CZ3 4.25Å; M842-W844 VanDerWaalsContact O-CD1 3.26Å; M842-W844 PolarHBondContact O-N 3.49Å; M842-W844 VanDerWaalsContact O-N 3.14Å | ||
| 843 | I | 91.9 | Very high | 92.8 | Very high | 110 Ų | 110 | 55 Ų | 55 | 56% | 0.564 | 30% | 0.295 | S | S | * | . | trans | -84.6 | 84.7 | 167.6 | -57.6 | 174.8 | 0 | 0 | 0 | 108.7 | N845 S846 | I843-N845 WeakPolarHBondContact CG2-OD1 3.39Å; I843-N845 PolarHBondContact O-N 3.16Å; I843-N845 VanDerWaalsContact O-N 3.14Å; I843-S846 WeakPolarHBondContact O-CB 3.42Å; I843-S846 PolarHBondContact O-N 3.14Å | ||
| 844 | W | 94.3 | Very high | 92.8 | Very high | 15 Ų | 15 | 54 Ų | 54 | 6% | 0.057 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -21.7 | -171.8 | -67.2 | 101.9 | 0 | 0 | 0 | 115.8 | G805 Q809 A812 F834 C839 M842 S846 T850 F854 | G805-W844 WeakPolarHBondContact O-CB 3.42Å; Q809-W844 HydrophobicContact CG-CB 4.21Å; Q809-W844 VanDerWaalsContact CG-CD1 3.4Å; Q809-W844 HydrophobicContact CG-CG 3.85Å; A812-W844 HydrophobicContact CB-CH2 3.9Å; A812-W844 HydrophobicContact CB-CZ2 3.53Å; F834-W844 HydrophobicContact CD1-CH2 4.04Å; F834-W844 HydrophobicContact CD1-CZ3 4.41Å; F834-W844 HydrophobicContact CE1-CH2 4.33Å; F834-W844 HydrophobicContact CE1-CZ3 4.24Å; C839-W844 HydrophobicContact CB-CZ2 3.87Å; C839-W844 PolarHBondContact O-NE1 3.06Å; M842-W844 HydrophobicContact CB-CD2 4.05Å; M842-W844 HydrophobicContact CB-CG 4.36Å; M842-W844 HydrophobicContact CB-CZ2 3.99Å; M842-W844 HydrophobicContact CG-CD2 3.7Å; M842-W844 HydrophobicContact CG-CE3 3.91Å; M842-W844 HydrophobicContact CG-CG 4.13Å; M842-W844 HydrophobicContact CG-CH2 4.38Å; M842-W844 HydrophobicContact CG-CZ2 4.16Å; M842-W844 HydrophobicContact CG-CZ3 4.25Å; M842-W844 VanDerWaalsContact O-CD1 3.26Å; M842-W844 PolarHBondContact O-N 3.49Å; M842-W844 VanDerWaalsContact O-N 3.14Å; W844-S846 VanDerWaalsContact C-N 3.32Å; W844-T850 HydrophobicContact CE3-CG2 3.96Å; W844-T850 WeakPolarHBondContact O-CG2 3.21Å; W844-F854 HydrophobicContact CZ3-CE2 4.05Å; W844-F854 HydrophobicContact CZ3-CZ 4.34Å |
| 845 | N | 91.5 | Very high | 92.8 | Very high | 87 Ų | 87 | 54.1 Ų | 54.1 | 47% | 0.465 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -6.2 | 173.8 | 66.3 | -3.7 | 0 | 0 | 0 | 113.4 | D801 I843 A847 | D801-N845 WeakPolarHBondContact O-CB 3.26Å; I843-N845 WeakPolarHBondContact CG2-OD1 3.39Å; I843-N845 PolarHBondContact O-N 3.16Å; I843-N845 VanDerWaalsContact O-N 3.14Å; N845-A847 PolarHBondContact O-N 2.97Å |
| 846 | S | 92.7 | Very high | 92.9 | Very high | 32 Ų | 32 | 56.9 Ų | 56.9 | 22% | 0.224 | 30% | 0.298 | C | S | . | . | trans | -81.3 | 112.3 | 179.4 | 176.4 | 0 | 0 | 0 | 0 | 111.3 | I843 W844 N848 S849 T850 | I843-S846 WeakPolarHBondContact O-CB 3.42Å; I843-S846 PolarHBondContact O-N 3.14Å; W844-S846 VanDerWaalsContact C-N 3.32Å; S846-N848 VanDerWaalsContact C-N 3.3Å; S846-N848 PolarHBondContact O-N 3.35Å; S846-S849 PolarHBondContact O-N 3.1Å; S846-S849 PolarHBondContact OG-OG 3.13Å; S846-T850 PolarHBondContact O-N 2.92Å; S846-T850 PolarHBondContact O-OG1 2.67Å | ||
| 847 | A | 89.2 | Confident | 93 | Very high | 6 Ų | 6 | 51.4 Ų | 51.4 | 5% | 0.05 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.1 | -37.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | N845 S849 F851 C885 | N845-A847 PolarHBondContact O-N 2.97Å; A847-S849 PolarHBondContact O-N 3.12Å; A847-F851 HydrophobicContact CB-CD2 3.9Å; A847-F851 HydrophobicContact CB-CE2 3.84Å; A847-F851 WeakPolarHBondContact O-CD2 3.29Å; A847-F851 PolarHBondContact O-N 2.96Å; A847-C885 HydrophobicContact CB-CB 3.63Å |
| 848 | N | 88.9 | Confident | 93.2 | Very high | 97 Ų | 97 | 47.8 Ų | 47.8 | 52% | 0.519 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.9 | -32.2 | -179.6 | -69.5 | -39.2 | 0 | 0 | 0 | 112.1 | S846 C885 | S846-N848 VanDerWaalsContact C-N 3.3Å; S846-N848 PolarHBondContact O-N 3.35Å; N848-C885 PolarHBondContact OD1-SG 3.32Å |
| 849 | S | 85.6 | Confident | 93.3 | Very high | 49 Ų | 49 | 48.1 Ų | 48.1 | 34% | 0.343 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -94.1 | -30.8 | -170.4 | -51.4 | 0 | 0 | 0 | 0 | 112.5 | S846 A847 | S846-S849 PolarHBondContact O-N 3.1Å; S846-S849 PolarHBondContact OG-OG 3.13Å; A847-S849 PolarHBondContact O-N 3.12Å |
| 850 | T | 94 | Very high | 93.5 | Very high | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.018 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -96.6 | -39.2 | -169.1 | 55.4 | 0 | 0 | 0 | 0 | 114.4 | W844 S846 H852 R853 F854 | W844-T850 HydrophobicContact CE3-CG2 3.96Å; W844-T850 WeakPolarHBondContact O-CG2 3.21Å; S846-T850 PolarHBondContact O-N 2.92Å; S846-T850 PolarHBondContact O-OG1 2.67Å; T850-H852 PolarHBondContact O-N 3.49Å; T850-R853 PolarHBondContact O-N 2.9Å; T850-R853 VanDerWaalsContact O-N 3.09Å; T850-F854 WeakPolarHBondContact O-CD2 3.33Å; T850-F854 PolarHBondContact O-N 3.32Å |
| 851 | F | 96.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.1 | -46.3 | -175.1 | -84.1 | -66.8 | 0 | 0 | 0 | 112.6 | V797 A847 R853 F854 T855 L871 T882 C885 A889 | V797-F851 HydrophobicContact CB-CD1 4.2Å; V797-F851 HydrophobicContact CB-CE1 3.85Å; V797-F851 HydrophobicContact CG1-CD1 4.1Å; V797-F851 HydrophobicContact CG1-CE1 4.24Å; V797-F851 WeakPolarHBondContact O-CE1 3.32Å; A847-F851 HydrophobicContact CB-CD2 3.9Å; A847-F851 HydrophobicContact CB-CE2 3.84Å; A847-F851 WeakPolarHBondContact O-CD2 3.29Å; A847-F851 PolarHBondContact O-N 2.96Å; F851-R853 PolarHBondContact O-N 3.35Å; F851-R853 VanDerWaalsContact O-N 3.12Å; F851-F854 PolarHBondContact O-N 3.44Å; F851-T855 WeakPolarHBondContact O-CG2 3.24Å; F851-T855 PolarHBondContact O-N 3.38Å; F851-T855 PolarHBondContact O-OG1 3.5Å; F851-T855 VanDerWaalsContact O-OG1 3.13Å; F851-L871 HydrophobicContact CD1-CD2 4Å; F851-L871 HydrophobicContact CE1-CD2 4.06Å; F851-T882 HydrophobicContact CE2-CG2 4.06Å; F851-T882 HydrophobicContact CZ-CG2 4.01Å; F851-C885 HydrophobicContact CD2-CB 3.85Å; F851-C885 HydrophobicContact CE2-CB 4.32Å; F851-A889 HydrophobicContact CB-CB 3.61Å |
| 852 | H | 95.1 | Very high | 94 | Very high | 77 Ų | 77 | 42.5 Ų | 42.5 | 36% | 0.356 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.2 | -22.3 | 179.3 | -76.8 | -81.7 | 0 | 0 | 0 | 114.6 | T850 T855 A889 | T850-H852 PolarHBondContact O-N 3.49Å; H852-T855 WeakPolarHBondContact CA-OG1 3.22Å; H852-T855 PolarHBondContact O-OG1 3.33Å; H852-A889 VanDerWaalsContact CE1-CA 3.46Å; H852-A889 WeakPolarHBondContact CE1-CA 3.37Å |
| 853 | R | 95.3 | Very high | 94.4 | Very high | 59 Ų | 59 | 41.1 Ų | 41.1 | 22% | 0.223 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -85.1 | -47.4 | 175.5 | -65.6 | -171.6 | -177.7 | -109.4 | 5.9 | 110.9 | I833 F834 D838 T850 F851 T855 K856 | I833-R853 HydrophobicContact CG2-CB 4.28Å; I833-R853 PolarHBondContact O-NH1 3.36Å; F834-R853 HydrophobicContact CD1-CB 4.37Å; F834-R853 HydrophobicContact CE1-CB 3.62Å; F834-R853 HydrophobicContact CZ-CB 4.01Å; D838-R853 IonicContact OD2-CZ 3.77Å; D838-R853 VanDerWaalsContact OD2-CZ 3.31Å; D838-R853 IonicContact OD2-NH1 3.31Å; D838-R853 PolarHBondContact OD2-NH1 3.03Å; D838-R853 IonicContact OD2-NH2 3.84Å; D838-R853 PolarHBondContact OD2-NH2 3.31Å; T850-R853 PolarHBondContact O-N 2.9Å; T850-R853 VanDerWaalsContact O-N 3.09Å; F851-R853 PolarHBondContact O-N 3.35Å; F851-R853 VanDerWaalsContact O-N 3.12Å; R853-T855 VanDerWaalsContact C-N 3.3Å; R853-T855 PolarHBondContact O-N 3.35Å; R853-K856 WeakPolarHBondContact O-CB 3.37Å; R853-K856 PolarHBondContact O-N 2.87Å |
| 854 | F | 97.7 | Very high | 94.6 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 0% | 0.004 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.9 | -27.6 | 179.3 | -77.9 | -77.1 | 0 | 0 | 0 | 113.2 | A793 A796 V797 F811 F834 W844 T850 F851 K856 L857 L867 | A793-F854 HydrophobicContact CB-CD1 4.46Å; A796-F854 HydrophobicContact CB-CD1 3.92Å; A796-F854 HydrophobicContact CB-CD2 3.9Å; A796-F854 HydrophobicContact CB-CE1 3.55Å; A796-F854 HydrophobicContact CB-CE2 3.53Å; A796-F854 HydrophobicContact CB-CG 4.11Å; A796-F854 HydrophobicContact CB-CZ 3.34Å; V797-F854 HydrophobicContact CG1-CB 3.39Å; V797-F854 HydrophobicContact CG1-CG 4.02Å; F811-F854 HydrophobicContact CB-CZ 4.37Å; F811-F854 HydrophobicContact CD1-CE1 4.16Å; F811-F854 HydrophobicContact CD1-CZ 4.39Å; F811-F854 HydrophobicContact CD2-CE1 4.19Å; F811-F854 HydrophobicContact CE1-CE1 4.47Å; F811-F854 HydrophobicContact CE2-CE1 4.48Å; F811-F854 HydrophobicContact CG-CE1 4.03Å; F811-F854 HydrophobicContact CG-CZ 4.29Å; F834-F854 HydrophobicContact CE1-CD2 4.38Å; F834-F854 HydrophobicContact CE1-CE1 4.4Å; F834-F854 HydrophobicContact CE1-CE2 4.04Å; F834-F854 HydrophobicContact CE1-CZ 4.04Å; F834-F854 HydrophobicContact CE2-CE1 4.43Å; F834-F854 AromaticContact CZ-CD1 3.86Å; F834-F854 HydrophobicContact CZ-CD1 3.86Å; F834-F854 HydrophobicContact CZ-CD2 4.21Å; F834-F854 AromaticContact CZ-CE1 3.73Å; F834-F854 HydrophobicContact CZ-CE1 3.73Å; F834-F854 HydrophobicContact CZ-CE2 4.09Å; F834-F854 HydrophobicContact CZ-CG 4.08Å; F834-F854 AromaticContact CZ-CZ 3.84Å; F834-F854 HydrophobicContact CZ-CZ 3.84Å; W844-F854 HydrophobicContact CZ3-CE2 4.05Å; W844-F854 HydrophobicContact CZ3-CZ 4.34Å; T850-F854 WeakPolarHBondContact O-CD2 3.33Å; T850-F854 PolarHBondContact O-N 3.32Å; F851-F854 PolarHBondContact O-N 3.44Å; F854-K856 VanDerWaalsContact C-N 3.25Å; F854-K856 PolarHBondContact O-N 2.8Å; F854-L857 HydrophobicContact CD1-CD2 4.31Å; F854-L857 WeakPolarHBondContact O-CB 3.12Å; F854-L857 PolarHBondContact O-N 2.76Å; F854-L867 HydrophobicContact CB-CD2 4.41Å |
| 855 | T | 97.1 | Very high | 94.8 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.018 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -64.8 | -28.9 | 173.8 | 49.1 | 0 | 0 | 0 | 0 | 112.7 | F851 H852 R853 L857 L858 L871 A889 | F851-T855 WeakPolarHBondContact O-CG2 3.24Å; F851-T855 PolarHBondContact O-N 3.38Å; F851-T855 PolarHBondContact O-OG1 3.5Å; F851-T855 VanDerWaalsContact O-OG1 3.13Å; H852-T855 WeakPolarHBondContact CA-OG1 3.22Å; H852-T855 PolarHBondContact O-OG1 3.33Å; R853-T855 VanDerWaalsContact C-N 3.3Å; R853-T855 PolarHBondContact O-N 3.35Å; T855-L857 PolarHBondContact O-N 3.04Å; T855-L858 VanDerWaalsContact O-CB 3.23Å; T855-L858 WeakPolarHBondContact O-CB 3.49Å; T855-L858 WeakPolarHBondContact O-CD1 3.47Å; T855-L858 VanDerWaalsContact O-CG 3.22Å; T855-L858 WeakPolarHBondContact O-CG 3.29Å; T855-L858 PolarHBondContact O-N 2.88Å; T855-L871 HydrophobicContact CG2-CD1 4.41Å; T855-L871 HydrophobicContact CG2-CD2 4.42Å; T855-A889 HydrophobicContact CG2-CB 4.02Å |
| 856 | K | 96.7 | Very high | 95.1 | Very high | 97 Ų | 97 | 38.6 Ų | 38.6 | 42% | 0.422 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -62.7 | -22.9 | 175.3 | -65.2 | -179.2 | 174.5 | -168.8 | 0 | 113.4 | I833 R853 F854 L858 D859 | I833-K856 HydrophobicContact CD1-CB 3.9Å; I833-K856 HydrophobicContact CG1-CB 4.34Å; I833-K856 HydrophobicContact CG1-CD 4.35Å; I833-K856 HydrophobicContact CG2-CB 4.33Å; I833-K856 HydrophobicContact CG2-CD 4.29Å; R853-K856 WeakPolarHBondContact O-CB 3.37Å; R853-K856 PolarHBondContact O-N 2.87Å; F854-K856 VanDerWaalsContact C-N 3.25Å; F854-K856 PolarHBondContact O-N 2.8Å; K856-L858 PolarHBondContact O-N 2.82Å; K856-D859 WeakPolarHBondContact O-CB 3.31Å; K856-D859 VanDerWaalsContact O-CG 3.26Å; K856-D859 PolarHBondContact O-N 3.1Å; K856-D859 VanDerWaalsContact O-N 3.16Å |
| 857 | L | 97.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -71.1 | -8.5 | 177.2 | -84 | 59.5 | 0 | 0 | 0 | 112.2 | A793 F811 L830 I833 F834 F854 T855 D859 F860 Y863 L867 | A793-L857 HydrophobicContact CB-CD2 4.42Å; F811-L857 HydrophobicContact CE2-CD2 4.28Å; F811-L857 HydrophobicContact CZ-CD2 3.77Å; L830-L857 HydrophobicContact CD2-CD1 3.82Å; L830-L857 HydrophobicContact CD2-CD2 3.89Å; L830-L857 HydrophobicContact CD2-CG 3.63Å; I833-L857 HydrophobicContact CD1-CD1 3.84Å; I833-L857 HydrophobicContact CG2-CD1 4.01Å; F834-L857 HydrophobicContact CE2-CD1 3.61Å; F834-L857 HydrophobicContact CE2-CD2 4.33Å; F834-L857 HydrophobicContact CZ-CD1 4.19Å; F854-L857 HydrophobicContact CD1-CD2 4.31Å; F854-L857 WeakPolarHBondContact O-CB 3.12Å; F854-L857 PolarHBondContact O-N 2.76Å; T855-L857 PolarHBondContact O-N 3.04Å; L857-D859 PolarHBondContact O-N 3.17Å; L857-F860 HydrophobicContact CB-CD2 4.32Å; L857-F860 HydrophobicContact CG-CD2 4.25Å; L857-F860 HydrophobicContact CG-CE2 4.44Å; L857-F860 PolarHBondContact O-N 3.47Å; L857-F860 VanDerWaalsContact O-N 3.12Å; L857-Y863 HydrophobicContact CB-CG 4.29Å; L857-Y863 HydrophobicContact CD2-CD1 3.83Å; L857-Y863 HydrophobicContact CD2-CE1 3.96Å; L857-Y863 HydrophobicContact CD2-CG 4.31Å; L857-Y863 WeakPolarHBondContact O-CB 3.45Å; L857-L867 HydrophobicContact CB-CD1 3.39Å |
| 858 | L | 97.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -63.6 | -17.5 | 169.5 | -66.2 | 171.8 | 0 | 0 | 0 | 112.5 | T855 K856 F860 R864 L867 I868 L871 L890 Y893 F903 | T855-L858 VanDerWaalsContact O-CB 3.23Å; T855-L858 WeakPolarHBondContact O-CB 3.49Å; T855-L858 WeakPolarHBondContact O-CD1 3.47Å; T855-L858 VanDerWaalsContact O-CG 3.22Å; T855-L858 WeakPolarHBondContact O-CG 3.29Å; T855-L858 PolarHBondContact O-N 2.88Å; K856-L858 PolarHBondContact O-N 2.82Å; L858-F860 PolarHBondContact O-N 2.8Å; L858-R864 WeakPolarHBondContact O-CG 3.41Å; L858-R864 PolarHBondContact O-NE 3.48Å; L858-L867 HydrophobicContact CD2-CB 3.88Å; L858-L867 HydrophobicContact CD2-CD1 4.17Å; L858-L867 HydrophobicContact CG-CD1 4.34Å; L858-I868 HydrophobicContact CD2-CD1 4.37Å; L858-I868 HydrophobicContact CD2-CG1 3.93Å; L858-L871 HydrophobicContact CD1-CD1 4.44Å; L858-L890 HydrophobicContact CD1-CD1 3.91Å; L858-Y893 HydrophobicContact CB-CE1 3.58Å; L858-Y893 WeakPolarHBondContact CB-OH 3.29Å; L858-Y893 HydrophobicContact CD1-CD1 3.84Å; L858-Y893 HydrophobicContact CD1-CE1 3.69Å; L858-Y893 HydrophobicContact CG-CE1 4.24Å; L858-F903 HydrophobicContact CB-CE2 4.17Å; L858-F903 HydrophobicContact CB-CZ 4.03Å |
| 859 | D | 95 | Very high | 96.2 | Very high | 67 Ų | 67 | 32.5 Ų | 32.5 | 36% | 0.358 | 16% | 0.155 | S | C | . | . | G | 310 helix | trans | -58.7 | -30.7 | 171.6 | -68 | -18.6 | 0 | 0 | 0 | 111.1 | K856 L857 R864 Y893 H897 | K856-D859 WeakPolarHBondContact O-CB 3.31Å; K856-D859 VanDerWaalsContact O-CG 3.26Å; K856-D859 PolarHBondContact O-N 3.1Å; K856-D859 VanDerWaalsContact O-N 3.16Å; L857-D859 PolarHBondContact O-N 3.17Å; D859-R864 PolarHBondContact O-NH2 3.2Å; D859-R864 VanDerWaalsContact O-NH2 3.14Å; D859-Y893 PolarHBondContact N-OH 3.16Å; D859-Y893 VanDerWaalsContact N-OH 3.07Å; D859-Y893 PolarHBondContact OD1-OH 3.01Å; D859-H897 IonicContact OD1-CE1 3.07Å; D859-H897 PolarHBondContact OD1-CE1 3.48Å; D859-H897 IonicContact OD1-NE2 3.14Å; D859-H897 PolarHBondContact OD1-NE2 3.47Å; D859-H897 VanDerWaalsContact OD1-NE2 3.14Å |
| 860 | F | 96.6 | Very high | 96.8 | Very high | 19 Ų | 19 | 30.1 Ų | 30.1 | 8% | 0.083 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -99.4 | 117.1 | -172.9 | -51.4 | -53 | 0 | 0 | 0 | 111.9 | H826 E829 L830 I833 L857 L858 E862 Y863 R864 | H826-F860 HydrophobicContact CB-CD1 3.89Å; H826-F860 HydrophobicContact CB-CD2 4.42Å; H826-F860 HydrophobicContact CB-CE1 3.79Å; H826-F860 HydrophobicContact CB-CE2 4.34Å; H826-F860 HydrophobicContact CB-CG 4.22Å; H826-F860 HydrophobicContact CB-CZ 4.04Å; H826-F860 AromaticContact CD2-CD1 3.42Å; H826-F860 VanDerWaalsContact CD2-CD1 3.42Å; H826-F860 WeakPolarHBondContact CD2-CD1 3.32Å; H826-F860 AromaticContact CD2-CG 3.46Å; H826-F860 VanDerWaalsContact CD2-CG 3.46Å; H826-F860 WeakPolarHBondContact CD2-CG 3.27Å; H826-F860 AromaticContact CE1-CD1 3.68Å; H826-F860 AromaticContact CG-CD1 3.31Å; H826-F860 AromaticContact CG-CE1 3.66Å; H826-F860 AromaticContact CG-CG 3.76Å; H826-F860 AromaticContact ND1-CD1 3.51Å; H826-F860 AromaticContact ND1-CE1 3.82Å; H826-F860 AromaticContact NE2-CD1 3.64Å; H826-F860 AromaticContact NE2-CG 3.89Å; E829-F860 HydrophobicContact CB-CE1 4.1Å; E829-F860 HydrophobicContact CB-CZ 3.62Å; E829-F860 HydrophobicContact CG-CE1 4.4Å; E829-F860 HydrophobicContact CG-CZ 4.37Å; L830-F860 HydrophobicContact CD2-CD2 4.33Å; L830-F860 HydrophobicContact CD2-CE2 3.99Å; I833-F860 HydrophobicContact CD1-CE2 3.87Å; I833-F860 HydrophobicContact CD1-CZ 4.25Å; L857-F860 HydrophobicContact CB-CD2 4.32Å; L857-F860 HydrophobicContact CG-CD2 4.25Å; L857-F860 HydrophobicContact CG-CE2 4.44Å; L857-F860 PolarHBondContact O-N 3.47Å; L857-F860 VanDerWaalsContact O-N 3.12Å; L858-F860 PolarHBondContact O-N 2.8Å; F860-E862 PolarHBondContact O-N 2.88Å; F860-E862 VanDerWaalsContact O-N 3.12Å; F860-Y863 HydrophobicContact CB-CD2 3.73Å; F860-Y863 HydrophobicContact CB-CE2 4.44Å; F860-Y863 HydrophobicContact CD2-CD2 4.29Å; F860-Y863 HydrophobicContact CG-CD2 4.44Å; F860-Y863 PolarHBondContact O-N 3.33Å; F860-R864 WeakPolarHBondContact O-CG 3.43Å; F860-R864 PolarHBondContact O-N 3.32Å |
| 861 | P | 95.5 | Very high | 97 | Very high | 73 Ų | 73 | 30 Ų | 30 | 47% | 0.474 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -51.8 | -36.9 | -176.1 | -29 | 35.9 | 0 | 0 | 0 | 115.2 | Y863 R864 | P861-Y863 PolarHBondContact O-N 2.85Å; P861-R864 PolarHBondContact O-N 2.92Å |
| 862 | E | 95.8 | Very high | 97 | Very high | 66 Ų | 66 | 30 Ų | 30 | 31% | 0.308 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -61.6 | -32.4 | -178.2 | -58.4 | 77.9 | -171.6 | 0 | 0 | 111.9 | E786 T790 H826 F860 | E786-E862 HydrophobicContact CG-CB 4.22Å; T790-E862 VanDerWaalsContact CG2-O 3.3Å; T790-E862 WeakPolarHBondContact CG2-O 3.3Å; H826-E862 IonicContact CD2-OE2 3.55Å; H826-E862 IonicContact CE1-OE2 3.96Å; H826-E862 IonicContact NE2-OE1 3.68Å; H826-E862 IonicContact NE2-OE2 2.82Å; H826-E862 PolarHBondContact NE2-OE2 3.41Å; F860-E862 PolarHBondContact O-N 2.88Å; F860-E862 VanDerWaalsContact O-N 3.12Å |
| 863 | Y | 97.9 | Very high | 97 | Very high | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.008 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -90.7 | -20.7 | -176.9 | -69.7 | -90.8 | 0 | 0 | 0 | 113.8 | M789 T790 A793 F811 L830 L857 F860 P861 Y865 R866 L867 | M789-Y863 HydrophobicContact CB-CE1 4.13Å; M789-Y863 WeakPolarHBondContact CB-OH 3.25Å; T790-Y863 HydrophobicContact CG2-CD1 3.83Å; T790-Y863 HydrophobicContact CG2-CE1 3.98Å; T790-Y863 HydrophobicContact CG2-CG 4.14Å; A793-Y863 HydrophobicContact CB-CD1 3.94Å; A793-Y863 HydrophobicContact CB-CE1 4.21Å; F811-Y863 HydrophobicContact CE2-CE1 4.16Å; F811-Y863 HydrophobicContact CZ-CE1 4.42Å; L830-Y863 HydrophobicContact CD1-CE2 4.49Å; L830-Y863 WeakPolarHBondContact CD1-OH 3.44Å; L857-Y863 HydrophobicContact CB-CG 4.29Å; L857-Y863 HydrophobicContact CD2-CD1 3.83Å; L857-Y863 HydrophobicContact CD2-CE1 3.96Å; L857-Y863 HydrophobicContact CD2-CG 4.31Å; L857-Y863 WeakPolarHBondContact O-CB 3.45Å; F860-Y863 HydrophobicContact CB-CD2 3.73Å; F860-Y863 HydrophobicContact CB-CE2 4.44Å; F860-Y863 HydrophobicContact CD2-CD2 4.29Å; F860-Y863 HydrophobicContact CG-CD2 4.44Å; F860-Y863 PolarHBondContact O-N 3.33Å; P861-Y863 PolarHBondContact O-N 2.85Å; Y863-Y865 PolarHBondContact O-N 3.17Å; Y863-R866 PolarHBondContact O-N 3.4Å; Y863-L867 WeakPolarHBondContact O-CB 3.36Å; Y863-L867 WeakPolarHBondContact O-CG 3.27Å; Y863-L867 PolarHBondContact O-N 3.13Å |
| 864 | R | 97 | Very high | 97.1 | Very high | 30 Ų | 30 | 23.7 Ų | 23.7 | 11% | 0.113 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -56.2 | -50.4 | -168.2 | -67 | 178.8 | -177.8 | 163.3 | -4 | 113.4 | L858 D859 F860 P861 R866 I868 E906 I910 | L858-R864 WeakPolarHBondContact O-CG 3.41Å; L858-R864 PolarHBondContact O-NE 3.48Å; D859-R864 PolarHBondContact O-NH2 3.2Å; D859-R864 VanDerWaalsContact O-NH2 3.14Å; F860-R864 WeakPolarHBondContact O-CG 3.43Å; F860-R864 PolarHBondContact O-N 3.32Å; P861-R864 PolarHBondContact O-N 2.92Å; R864-R866 PolarHBondContact O-N 2.93Å; R864-I868 WeakPolarHBondContact O-CB 3.37Å; R864-I868 WeakPolarHBondContact O-CD1 3.45Å; R864-I868 VanDerWaalsContact O-CG1 3.22Å; R864-I868 WeakPolarHBondContact O-CG1 3.06Å; R864-I868 PolarHBondContact O-N 3.27Å; R864-E906 IonicContact CZ-OE1 3.84Å; R864-E906 IonicContact CZ-OE2 3.45Å; R864-E906 IonicContact NH1-OE1 2.75Å; R864-E906 PolarHBondContact NH1-OE1 2.79Å; R864-E906 IonicContact NH1-OE2 3.76Å; R864-E906 PolarHBondContact NH1-OE2 3.24Å; R864-I910 HydrophobicContact CB-CD1 3.52Å; R864-I910 HydrophobicContact CG-CD1 4.49Å |
| 865 | Y | 97.9 | Very high | 97.1 | Very high | 66 Ų | 66 | 24 Ų | 24 | 26% | 0.259 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -59.4 | -48.6 | -177.2 | -176.8 | -86 | 0 | 0 | 0 | 112 | Y863 L869 I910 Q913 I914 S917 | Y863-Y865 PolarHBondContact O-N 3.17Å; Y865-L869 HydrophobicContact CE1-CD2 4.46Å; Y865-L869 WeakPolarHBondContact O-CB 3.39Å; Y865-L869 PolarHBondContact O-N 3.39Å; Y865-I910 HydrophobicContact CD2-CG2 4.07Å; Y865-Q913 HydrophobicContact CE2-CB 4.36Å; Y865-I914 HydrophobicContact CD2-CG1 4.14Å; Y865-I914 HydrophobicContact CE1-CG1 4.47Å; Y865-I914 HydrophobicContact CE2-CG1 3.61Å; Y865-S917 PolarHBondContact OH-OG 2.87Å |
| 866 | R | 97.7 | Very high | 97 | Very high | 63 Ų | 63 | 24 Ų | 24 | 24% | 0.238 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -70.5 | -40.4 | -176.3 | -73.7 | -70.9 | -172.8 | 177.1 | 5.1 | 112 | T790 Q794 Y863 R864 L869 G870 | T790-R866 WeakPolarHBondContact O-CB 3.39Å; Q794-R866 HydrophobicContact CB-CB 4.13Å; Q794-R866 WeakPolarHBondContact CB-O 3.05Å; Q794-R866 VanDerWaalsContact CG-O 3.31Å; Q794-R866 WeakPolarHBondContact CG-O 3.15Å; Y863-R866 PolarHBondContact O-N 3.4Å; R864-R866 PolarHBondContact O-N 2.93Å; R866-L869 PolarHBondContact O-N 2.64Å; R866-G870 PolarHBondContact O-N 3.29Å; R866-G870 VanDerWaalsContact O-N 3.09Å |
| 867 | L | 98 | Very high | 96.7 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -65.7 | -46.4 | 175.2 | -77 | 171.5 | 0 | 0 | 0 | 112.4 | A793 V797 F854 L857 L858 Y863 L869 G870 L871 | A793-L867 HydrophobicContact CB-CD2 4.13Å; V797-L867 HydrophobicContact CG1-CD2 4.01Å; V797-L867 HydrophobicContact CG2-CD2 3.85Å; F854-L867 HydrophobicContact CB-CD2 4.41Å; L857-L867 HydrophobicContact CB-CD1 3.39Å; L858-L867 HydrophobicContact CD2-CB 3.88Å; L858-L867 HydrophobicContact CD2-CD1 4.17Å; L858-L867 HydrophobicContact CG-CD1 4.34Å; Y863-L867 WeakPolarHBondContact O-CB 3.36Å; Y863-L867 WeakPolarHBondContact O-CG 3.27Å; Y863-L867 PolarHBondContact O-N 3.13Å; L867-L869 VanDerWaalsContact C-N 3.29Å; L867-L869 PolarHBondContact O-N 3.09Å; L867-G870 PolarHBondContact O-N 3.14Å; L867-L871 WeakPolarHBondContact O-CB 3.43Å; L867-L871 VanDerWaalsContact O-CG 3.3Å; L867-L871 WeakPolarHBondContact O-CG 3.31Å; L867-L871 PolarHBondContact O-N 3.28Å |
| 868 | I | 98.3 | Very high | 96.2 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.5 | -41.1 | 178 | -68.5 | 166.8 | 0 | 0 | 0 | 110.1 | L858 R864 G870 L871 I872 V907 I910 V911 I914 F931 | L858-I868 HydrophobicContact CD2-CD1 4.37Å; L858-I868 HydrophobicContact CD2-CG1 3.93Å; R864-I868 WeakPolarHBondContact O-CB 3.37Å; R864-I868 WeakPolarHBondContact O-CD1 3.45Å; R864-I868 VanDerWaalsContact O-CG1 3.22Å; R864-I868 WeakPolarHBondContact O-CG1 3.06Å; R864-I868 PolarHBondContact O-N 3.27Å; I868-G870 PolarHBondContact O-N 3.49Å; I868-L871 PolarHBondContact O-N 3.28Å; I868-I872 HydrophobicContact CG2-CD1 3.88Å; I868-I872 HydrophobicContact CG2-CG1 4.32Å; I868-I872 WeakPolarHBondContact O-CB 3.4Å; I868-I872 WeakPolarHBondContact O-CD1 3.48Å; I868-I872 VanDerWaalsContact O-CG1 3.23Å; I868-I872 WeakPolarHBondContact O-CG1 3.44Å; I868-I872 PolarHBondContact O-N 3.02Å; I868-V907 HydrophobicContact CD1-CB 4.34Å; I868-V907 HydrophobicContact CD1-CG1 4.01Å; I868-V907 HydrophobicContact CD1-CG2 4.25Å; I868-I910 HydrophobicContact CB-CG2 4.04Å; I868-I910 HydrophobicContact CD1-CB 3.85Å; I868-I910 HydrophobicContact CD1-CD1 3.83Å; I868-I910 HydrophobicContact CD1-CG1 4.45Å; I868-I910 HydrophobicContact CD1-CG2 3.62Å; I868-I910 HydrophobicContact CG1-CG2 4.41Å; I868-I910 HydrophobicContact CG2-CG2 4.1Å; I868-V911 HydrophobicContact CG2-CG2 3.91Å; I868-I914 HydrophobicContact CB-CD1 4.15Å; I868-I914 HydrophobicContact CG2-CD1 3.72Å; I868-F931 HydrophobicContact CG2-CE1 4.17Å; I868-F931 HydrophobicContact CG2-CZ 4.45Å |
| 869 | L | 97.8 | Very high | 95.9 | Very high | 3 Ų | 3 | 30.9 Ų | 30.9 | 2% | 0.016 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.9 | -44.2 | 175.1 | 178.5 | 58.8 | 0 | 0 | 0 | 112.7 | Y865 R866 L867 I914 F918 I924 | Y865-L869 HydrophobicContact CE1-CD2 4.46Å; Y865-L869 WeakPolarHBondContact O-CB 3.39Å; Y865-L869 PolarHBondContact O-N 3.39Å; R866-L869 PolarHBondContact O-N 2.64Å; L867-L869 VanDerWaalsContact C-N 3.29Å; L867-L869 PolarHBondContact O-N 3.09Å; L869-I914 HydrophobicContact CB-CD1 4Å; L869-I914 HydrophobicContact CD1-CG2 3.78Å; L869-F918 HydrophobicContact CD1-CD2 4.27Å; L869-F918 HydrophobicContact CD1-CE2 3.86Å; L869-F918 HydrophobicContact CD1-CZ 4.23Å; L869-F918 HydrophobicContact CD2-CE2 3.89Å; L869-F918 HydrophobicContact CD2-CZ 3.85Å; L869-I924 HydrophobicContact CD1-CD1 3.99Å; L869-I924 HydrophobicContact CD1-CG2 4.48Å |
| 870 | G | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69.4 | -42.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V797 R866 L867 I868 I872 V873 S874 | V797-G870 CarbonylContact O-C 3.51Å; V797-G870 VanDerWaalsContact O-O 3.07Å; R866-G870 PolarHBondContact O-N 3.29Å; R866-G870 VanDerWaalsContact O-N 3.09Å; L867-G870 PolarHBondContact O-N 3.14Å; I868-G870 PolarHBondContact O-N 3.49Å; G870-I872 PolarHBondContact O-N 2.96Å; G870-V873 PolarHBondContact O-N 2.82Å; G870-V873 VanDerWaalsContact O-N 3.17Å; G870-S874 PolarHBondContact O-N 2.93Å |
| 871 | L | 98 | Very high | 95.5 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.1 | -38.9 | 177.3 | -74.7 | 168.3 | 0 | 0 | 0 | 112.5 | V797 F851 T855 L858 L867 I868 V873 S874 V875 L890 F931 | V797-L871 HydrophobicContact CB-CD2 4.07Å; V797-L871 HydrophobicContact CB-CG 4.19Å; V797-L871 HydrophobicContact CG1-CD2 4.45Å; V797-L871 HydrophobicContact CG2-CG 4.15Å; F851-L871 HydrophobicContact CD1-CD2 4Å; F851-L871 HydrophobicContact CE1-CD2 4.06Å; T855-L871 HydrophobicContact CG2-CD1 4.41Å; T855-L871 HydrophobicContact CG2-CD2 4.42Å; L858-L871 HydrophobicContact CD1-CD1 4.44Å; L867-L871 WeakPolarHBondContact O-CB 3.43Å; L867-L871 VanDerWaalsContact O-CG 3.3Å; L867-L871 WeakPolarHBondContact O-CG 3.31Å; L867-L871 PolarHBondContact O-N 3.28Å; I868-L871 PolarHBondContact O-N 3.28Å; L871-V873 PolarHBondContact O-N 2.97Å; L871-S874 PolarHBondContact O-N 2.97Å; L871-V875 WeakPolarHBondContact O-CB 3.33Å; L871-V875 PolarHBondContact O-N 3.36Å; L871-L890 HydrophobicContact CD1-CD1 4.43Å; L871-F931 HydrophobicContact CB-CE2 4.24Å |
| 872 | I | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -51.2 | -45.2 | 173.8 | -82.4 | 163.8 | 0 | 0 | 0 | 110.9 | I868 G870 S874 G876 I914 P927 L928 F931 | I868-I872 HydrophobicContact CG2-CD1 3.88Å; I868-I872 HydrophobicContact CG2-CG1 4.32Å; I868-I872 WeakPolarHBondContact O-CB 3.4Å; I868-I872 WeakPolarHBondContact O-CD1 3.48Å; I868-I872 VanDerWaalsContact O-CG1 3.23Å; I868-I872 WeakPolarHBondContact O-CG1 3.44Å; I868-I872 PolarHBondContact O-N 3.02Å; G870-I872 PolarHBondContact O-N 2.96Å; I872-S874 VanDerWaalsContact C-N 3.35Å; I872-G876 WeakPolarHBondContact O-CA 3.49Å; I872-G876 PolarHBondContact O-N 2.96Å; I872-I914 HydrophobicContact CD1-CB 4.39Å; I872-I914 HydrophobicContact CD1-CD1 3.82Å; I872-I914 HydrophobicContact CD1-CG2 3.94Å; I872-P927 HydrophobicContact CG2-CB 4.2Å; I872-P927 WeakPolarHBondContact O-CB 3.36Å; I872-L928 HydrophobicContact CD1-CD1 4.05Å; I872-L928 HydrophobicContact CD1-CG 4.12Å; I872-L928 HydrophobicContact CG2-CB 3.81Å; I872-L928 HydrophobicContact CG2-CG 4.4Å; I872-F931 HydrophobicContact CB-CB 4.44Å; I872-F931 HydrophobicContact CB-CG 4.35Å; I872-F931 HydrophobicContact CD1-CD1 4.28Å; I872-F931 HydrophobicContact CG1-CB 3.97Å; I872-F931 HydrophobicContact CG1-CD1 3.45Å; I872-F931 VanDerWaalsContact CG1-CD1 3.45Å; I872-F931 HydrophobicContact CG1-CD2 4.17Å; I872-F931 HydrophobicContact CG1-CE1 3.89Å; I872-F931 HydrophobicContact CG1-CG 3.59Å; I872-F931 HydrophobicContact CG1-CZ 4.42Å |
| 873 | V | 95.6 | Very high | 95.4 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.012 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -72.7 | -29.4 | -177.5 | 178.3 | 0 | 0 | 0 | 0 | 112.1 | K799 G870 L871 G877 I924 | K799-V873 HydrophobicContact CB-CG1 4.14Å; K799-V873 HydrophobicContact CD-CG1 3.67Å; K799-V873 HydrophobicContact CG-CG1 3.87Å; G870-V873 PolarHBondContact O-N 2.82Å; G870-V873 VanDerWaalsContact O-N 3.17Å; L871-V873 PolarHBondContact O-N 2.97Å; V873-G877 WeakPolarHBondContact O-CA 3.46Å; V873-G877 PolarHBondContact O-N 2.91Å; V873-I924 HydrophobicContact CG2-CD1 3.53Å |
| 874 | S | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -81.5 | -51.8 | 179.7 | -71.7 | 0 | 0 | 0 | 0 | 113.1 | V797 E798 K799 G870 L871 I872 G877 I883 | V797-S874 WeakPolarHBondContact O-CB 3.35Å; V797-S874 PolarHBondContact O-OG 3.26Å; E798-S874 WeakPolarHBondContact CA-OG 3.49Å; E798-S874 PolarHBondContact O-OG 3.46Å; K799-S874 PolarHBondContact N-OG 3.23Å; G870-S874 PolarHBondContact O-N 2.93Å; L871-S874 PolarHBondContact O-N 2.97Å; I872-S874 VanDerWaalsContact C-N 3.35Å; S874-G877 PolarHBondContact O-N 3.3Å; S874-I883 WeakPolarHBondContact O-CG1 3.44Å |
| 875 | V | 96.9 | Very high | 95.3 | Very high | 9 Ų | 9 | 38.9 Ų | 38.9 | 6% | 0.055 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.6 | -45.4 | 178.8 | 166.4 | 0 | 0 | 0 | 0 | 110.4 | L871 G877 S886 T887 F931 F934 | L871-V875 WeakPolarHBondContact O-CB 3.33Å; L871-V875 PolarHBondContact O-N 3.36Å; V875-G877 PolarHBondContact O-N 3.42Å; V875-S886 WeakPolarHBondContact CG2-OG 3.4Å; V875-S886 PolarHBondContact N-OG 3.22Å; V875-T887 HydrophobicContact CB-CG2 4.24Å; V875-T887 HydrophobicContact CG1-CG2 3.6Å; V875-T887 HydrophobicContact CG2-CG2 4.03Å; V875-F931 HydrophobicContact CB-CD2 3.69Å; V875-F931 HydrophobicContact CB-CE2 4.25Å; V875-F931 HydrophobicContact CG1-CD2 3.68Å; V875-F931 HydrophobicContact CG1-CE2 4.4Å; V875-F931 HydrophobicContact CG2-CD2 4.08Å; V875-F931 HydrophobicContact CG2-CE2 4.12Å; V875-F934 HydrophobicContact CG1-CB 4.05Å; V875-F934 HydrophobicContact CG1-CD1 3.94Å; V875-F934 HydrophobicContact CG1-CG 3.93Å |
| 876 | G | 95.1 | Very high | 95.3 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 3% | 0.031 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | 10.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | I872 P927 | I872-G876 WeakPolarHBondContact O-CA 3.49Å; I872-G876 PolarHBondContact O-N 2.96Å; G876-P927 WeakPolarHBondContact CA-O 3.29Å; G876-P927 WeakPolarHBondContact O-CA 3.28Å |
| 877 | G | 91.3 | Very high | 95.2 | Very high | 8 Ų | 8 | 34.1 Ų | 34.1 | 8% | 0.082 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -73.7 | -161.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | V873 S874 V875 I883 | V873-G877 WeakPolarHBondContact O-CA 3.46Å; V873-G877 PolarHBondContact O-N 2.91Å; S874-G877 PolarHBondContact O-N 3.3Å; V875-G877 PolarHBondContact O-N 3.42Å; G877-I883 WeakPolarHBondContact O-CD1 3.4Å |
| 878 | L | 87.4 | Confident | 95.1 | Very high | 159 Ų | 159 | 37.1 Ų | 37.1 | 83% | 0.832 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -116.9 | -16.7 | 177.4 | -64.9 | 174.3 | 0 | 0 | 0 | 113.4 | E880 | L878-E880 PolarHBondContact O-N 3.17Š|
| 879 | T | 89.4 | Confident | 95 | Very high | 75 Ų | 75 | 37 Ų | 37 | 46% | 0.46 | 19% | 0.193 | S | C | . | . | trans | -87.1 | 107.5 | -175.4 | -57.3 | 0 | 0 | 0 | 0 | 109.7 | L881 T882 I883 | T879-L881 VanDerWaalsContact C-N 3.3Å; T879-L881 PolarHBondContact O-N 2.91Å; T879-T882 WeakPolarHBondContact CG2-OG1 3.4Å; T879-T882 WeakPolarHBondContact O-CB 3.33Å; T879-T882 PolarHBondContact O-N 3.34Å; T879-I883 WeakPolarHBondContact O-CG1 3.5Å; T879-I883 PolarHBondContact O-N 2.95Å | ||
| 880 | E | 91.7 | Very high | 94.9 | Very high | 150 Ų | 150 | 37 Ų | 37 | 70% | 0.701 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -50.4 | -45.5 | -173.9 | -172.2 | -171.6 | 159.5 | 0 | 0 | 113.3 | L878 T882 I883 R884 | L878-E880 PolarHBondContact O-N 3.17Å; E880-T882 PolarHBondContact O-N 2.86Å; E880-I883 PolarHBondContact O-N 2.94Å; E880-R884 WeakPolarHBondContact O-CB 3.49Å; E880-R884 PolarHBondContact O-N 2.65Å |
| 881 | L | 92.1 | Very high | 94.8 | Very high | 75 Ų | 75 | 38.7 Ų | 38.7 | 39% | 0.393 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61 | -47.8 | 178.1 | 180 | 62.8 | 0 | 0 | 0 | 111.5 | T879 R884 C885 | T879-L881 VanDerWaalsContact C-N 3.3Å; T879-L881 PolarHBondContact O-N 2.91Å; L881-R884 PolarHBondContact O-N 2.86Å; L881-C885 WeakPolarHBondContact O-CB 3.41Å; L881-C885 PolarHBondContact O-N 3.01Å; L881-C885 PolarHBondContact O-SG 3.2Å |
| 882 | T | 93.7 | Very high | 94.7 | Very high | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.018 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.3 | -43 | 179.4 | -53 | 0 | 0 | 0 | 0 | 111.3 | F851 T879 E880 C885 S886 | F851-T882 HydrophobicContact CE2-CG2 4.06Å; F851-T882 HydrophobicContact CZ-CG2 4.01Å; T879-T882 WeakPolarHBondContact CG2-OG1 3.4Å; T879-T882 WeakPolarHBondContact O-CB 3.33Å; T879-T882 PolarHBondContact O-N 3.34Å; E880-T882 PolarHBondContact O-N 2.86Å; T882-C885 PolarHBondContact O-N 3.19Å; T882-S886 VanDerWaalsContact O-CB 3.3Å; T882-S886 WeakPolarHBondContact O-CB 3.39Å; T882-S886 PolarHBondContact O-N 2.99Å; T882-S886 PolarHBondContact O-OG 3.27Å |
| 883 | I | 95.8 | Very high | 94.5 | Very high | 49 Ų | 49 | 40.7 Ų | 40.7 | 25% | 0.251 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.5 | -55.8 | 175.4 | -63.9 | 166.8 | 0 | 0 | 0 | 109 | S874 G877 T879 E880 C885 S886 T887 | S874-I883 WeakPolarHBondContact O-CG1 3.44Å; G877-I883 WeakPolarHBondContact O-CD1 3.4Å; T879-I883 WeakPolarHBondContact O-CG1 3.5Å; T879-I883 PolarHBondContact O-N 2.95Å; E880-I883 PolarHBondContact O-N 2.94Å; I883-C885 VanDerWaalsContact C-N 3.32Å; I883-C885 PolarHBondContact O-N 3Å; I883-S886 PolarHBondContact O-N 3.38Å; I883-S886 PolarHBondContact O-OG 3.44Å; I883-T887 HydrophobicContact CG2-CG2 4.18Å; I883-T887 WeakPolarHBondContact O-CG2 3.45Å; I883-T887 PolarHBondContact O-N 3.46Å; I883-T887 PolarHBondContact O-OG1 3.47Å |
| 884 | R | 95.8 | Very high | 94.5 | Very high | 142 Ų | 142 | 40.7 Ų | 40.7 | 54% | 0.536 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -57.1 | -42.4 | -178.4 | -174.1 | -179.4 | 67.1 | -162.5 | 1 | 113.1 | E880 L881 T887 S888 | E880-R884 WeakPolarHBondContact O-CB 3.49Å; E880-R884 PolarHBondContact O-N 2.65Å; L881-R884 PolarHBondContact O-N 2.86Å; R884-T887 PolarHBondContact O-OG1 3.13Å; R884-S888 WeakPolarHBondContact O-CB 2.99Å; R884-S888 PolarHBondContact O-N 3.24Å |
| 885 | C | 96.2 | Very high | 94.3 | Very high | 6 Ų | 6 | 45.5 Ų | 45.5 | 4% | 0.041 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -71.2 | -42 | -179.7 | -59.7 | 0 | 0 | 0 | 0 | 111.8 | A847 N848 F851 L881 T882 I883 A889 | A847-C885 HydrophobicContact CB-CB 3.63Å; N848-C885 PolarHBondContact OD1-SG 3.32Å; F851-C885 HydrophobicContact CD2-CB 3.85Å; F851-C885 HydrophobicContact CE2-CB 4.32Å; L881-C885 WeakPolarHBondContact O-CB 3.41Å; L881-C885 PolarHBondContact O-N 3.01Å; L881-C885 PolarHBondContact O-SG 3.2Å; T882-C885 PolarHBondContact O-N 3.19Å; I883-C885 VanDerWaalsContact C-N 3.32Å; I883-C885 PolarHBondContact O-N 3Å; C885-A889 VanDerWaalsContact O-CB 3.28Å; C885-A889 WeakPolarHBondContact O-CB 3.47Å; C885-A889 PolarHBondContact O-N 3.21Å |
| 886 | S | 97.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -70.8 | -40.9 | -179.3 | 56.2 | 0 | 0 | 0 | 0 | 112.3 | V875 T882 I883 A889 L890 | V875-S886 WeakPolarHBondContact CG2-OG 3.4Å; V875-S886 PolarHBondContact N-OG 3.22Å; T882-S886 VanDerWaalsContact O-CB 3.3Å; T882-S886 WeakPolarHBondContact O-CB 3.39Å; T882-S886 PolarHBondContact O-N 2.99Å; T882-S886 PolarHBondContact O-OG 3.27Å; I883-S886 PolarHBondContact O-N 3.38Å; I883-S886 PolarHBondContact O-OG 3.44Å; S886-A889 PolarHBondContact O-N 2.79Å; S886-L890 WeakPolarHBondContact O-CB 3.32Å; S886-L890 PolarHBondContact O-N 3.5Å |
| 887 | T | 96.4 | Very high | 94 | Very high | 29 Ų | 29 | 52.8 Ų | 52.8 | 18% | 0.178 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.9 | -46 | 173.9 | 55.4 | 0 | 0 | 0 | 0 | 111.4 | V875 I883 R884 A889 L890 S891 F934 | V875-T887 HydrophobicContact CB-CG2 4.24Å; V875-T887 HydrophobicContact CG1-CG2 3.6Å; V875-T887 HydrophobicContact CG2-CG2 4.03Å; I883-T887 HydrophobicContact CG2-CG2 4.18Å; I883-T887 WeakPolarHBondContact O-CG2 3.45Å; I883-T887 PolarHBondContact O-N 3.46Å; I883-T887 PolarHBondContact O-OG1 3.47Å; R884-T887 PolarHBondContact O-OG1 3.13Å; T887-A889 VanDerWaalsContact C-N 3.29Å; T887-A889 PolarHBondContact O-N 2.69Å; T887-L890 PolarHBondContact O-N 3.19Å; T887-S891 WeakPolarHBondContact O-CB 3.41Å; T887-S891 PolarHBondContact O-N 2.83Å; T887-S891 PolarHBondContact O-OG 3.16Å; T887-F934 HydrophobicContact CG2-CD2 3.69Å; T887-F934 HydrophobicContact CG2-CE2 3.7Å; T887-F934 HydrophobicContact CG2-CG 4.21Å; T887-F934 HydrophobicContact CG2-CZ 4.23Å |
| 888 | S | 95.8 | Very high | 93.8 | Very high | 63 Ų | 63 | 57 Ų | 57 | 44% | 0.441 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.9 | -39.5 | 177.1 | -175.9 | 0 | 0 | 0 | 0 | 112.3 | R884 A892 | R884-S888 WeakPolarHBondContact O-CB 2.99Å; R884-S888 PolarHBondContact O-N 3.24Å; S888-A892 WeakPolarHBondContact O-CB 3.44Å; S888-A892 PolarHBondContact O-N 3.42Å; S888-A892 VanDerWaalsContact O-N 3.08Å |
| 889 | A | 96.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.4 | -39.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | F851 H852 T855 C885 S886 T887 Y893 | F851-A889 HydrophobicContact CB-CB 3.61Å; H852-A889 VanDerWaalsContact CE1-CA 3.46Å; H852-A889 WeakPolarHBondContact CE1-CA 3.37Å; T855-A889 HydrophobicContact CG2-CB 4.02Å; C885-A889 VanDerWaalsContact O-CB 3.28Å; C885-A889 WeakPolarHBondContact O-CB 3.47Å; C885-A889 PolarHBondContact O-N 3.21Å; S886-A889 PolarHBondContact O-N 2.79Å; T887-A889 VanDerWaalsContact C-N 3.29Å; T887-A889 PolarHBondContact O-N 2.69Å; A889-Y893 VanDerWaalsContact O-CB 3.29Å; A889-Y893 WeakPolarHBondContact O-CB 3.22Å; A889-Y893 PolarHBondContact O-N 3.31Å; A889-Y893 VanDerWaalsContact O-N 3.1Å |
| 890 | L | 96.2 | Very high | 93.9 | Very high | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.016 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -73.6 | -43.4 | -179.4 | -172.4 | 55.9 | 0 | 0 | 0 | 112.2 | L858 L871 S886 T887 Y893 F894 F931 F934 L935 | L858-L890 HydrophobicContact CD1-CD1 3.91Å; L871-L890 HydrophobicContact CD1-CD1 4.43Å; S886-L890 WeakPolarHBondContact O-CB 3.32Å; S886-L890 PolarHBondContact O-N 3.5Å; T887-L890 PolarHBondContact O-N 3.19Å; L890-Y893 PolarHBondContact O-N 2.97Å; L890-F894 HydrophobicContact CD1-CD2 4.48Å; L890-F894 HydrophobicContact CD1-CE1 4.05Å; L890-F894 HydrophobicContact CD1-CE2 3.88Å; L890-F894 HydrophobicContact CD1-CZ 3.62Å; L890-F894 HydrophobicContact CD2-CE2 4.05Å; L890-F894 HydrophobicContact CD2-CZ 4.19Å; L890-F894 HydrophobicContact CG-CD2 4.14Å; L890-F894 HydrophobicContact CG-CE2 3.52Å; L890-F894 HydrophobicContact CG-CZ 3.78Å; L890-F894 WeakPolarHBondContact O-CD2 3.35Å; L890-F894 WeakPolarHBondContact O-CG 3.19Å; L890-F894 PolarHBondContact O-N 3.35Å; L890-F931 HydrophobicContact CD2-CE2 3.45Å; L890-F931 VanDerWaalsContact CD2-CE2 3.45Å; L890-F931 HydrophobicContact CD2-CZ 3.67Å; L890-F934 HydrophobicContact CB-CE1 4.37Å; L890-F934 HydrophobicContact CB-CZ 4.4Å; L890-F934 HydrophobicContact CD2-CD1 4.49Å; L890-F934 HydrophobicContact CD2-CE1 3.68Å; L890-F934 HydrophobicContact CD2-CZ 4.49Å; L890-F934 HydrophobicContact CG-CE1 4.11Å; L890-L935 HydrophobicContact CD2-CD2 4.44Å |
| 891 | S | 95.3 | Very high | 93.7 | Very high | 36 Ų | 36 | 53.5 Ų | 53.5 | 25% | 0.252 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.4 | -40.8 | 174.4 | -68.9 | 0 | 0 | 0 | 0 | 112.2 | T887 Y893 F894 L895 F934 D938 | T887-S891 WeakPolarHBondContact O-CB 3.41Å; T887-S891 PolarHBondContact O-N 2.83Å; T887-S891 PolarHBondContact O-OG 3.16Å; S891-Y893 PolarHBondContact O-N 3.18Å; S891-F894 PolarHBondContact O-N 3.06Å; S891-L895 PolarHBondContact O-N 3.17Å; S891-F934 WeakPolarHBondContact OG-CZ 3.07Å; S891-D938 WeakPolarHBondContact CB-OD2 3.38Å; S891-D938 PolarHBondContact OG-OD2 2.8Å |
| 892 | A | 94.7 | Very high | 93.6 | Very high | 35 Ų | 35 | 56.8 Ų | 56.8 | 29% | 0.289 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.4 | -39.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | S888 L895 D896 | S888-A892 WeakPolarHBondContact O-CB 3.44Å; S888-A892 PolarHBondContact O-N 3.42Å; S888-A892 VanDerWaalsContact O-N 3.08Å; A892-L895 WeakPolarHBondContact O-CB 3.35Å; A892-L895 PolarHBondContact O-N 3.09Å; A892-D896 PolarHBondContact O-N 3.26Å |
| 893 | Y | 95 | Very high | 93.5 | Very high | 8 Ų | 8 | 56.9 Ų | 56.9 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -71.9 | -36.1 | 178.6 | -179.7 | -97.3 | 0 | 0 | 0 | 113.1 | L858 D859 A889 L890 S891 L895 D896 H897 F903 | L858-Y893 HydrophobicContact CB-CE1 3.58Å; L858-Y893 WeakPolarHBondContact CB-OH 3.29Å; L858-Y893 HydrophobicContact CD1-CD1 3.84Å; L858-Y893 HydrophobicContact CD1-CE1 3.69Å; L858-Y893 HydrophobicContact CG-CE1 4.24Å; D859-Y893 PolarHBondContact N-OH 3.16Å; D859-Y893 VanDerWaalsContact N-OH 3.07Å; D859-Y893 PolarHBondContact OD1-OH 3.01Å; A889-Y893 VanDerWaalsContact O-CB 3.29Å; A889-Y893 WeakPolarHBondContact O-CB 3.22Å; A889-Y893 PolarHBondContact O-N 3.31Å; A889-Y893 VanDerWaalsContact O-N 3.1Å; L890-Y893 PolarHBondContact O-N 2.97Å; S891-Y893 PolarHBondContact O-N 3.18Å; Y893-L895 VanDerWaalsContact C-N 3.34Å; Y893-D896 PolarHBondContact O-N 3.35Å; Y893-H897 AromaticContact CD2-CE1 3.94Å; Y893-H897 AromaticContact CD2-ND1 4Å; Y893-H897 AromaticContact CE1-ND1 3.92Å; Y893-H897 AromaticContact CE2-CE1 3.25Å; Y893-H897 WeakPolarHBondContact CE2-CE1 3.47Å; Y893-H897 AromaticContact CE2-ND1 3.66Å; Y893-H897 AromaticContact CZ-CE1 3.38Å; Y893-H897 AromaticContact CZ-ND1 3.62Å; Y893-H897 PolarHBondContact O-N 3.37Å; Y893-H897 PolarHBondContact O-ND1 2.91Å; Y893-F903 HydrophobicContact CD1-CE1 4.45Å; Y893-F903 HydrophobicContact CD1-CZ 4.46Å; Y893-F903 AromaticContact CE1-CE1 3.78Å; Y893-F903 HydrophobicContact CE1-CE1 3.78Å; Y893-F903 HydrophobicContact CE1-CE2 4.46Å; Y893-F903 AromaticContact CE1-CZ 3.55Å; Y893-F903 HydrophobicContact CE1-CZ 3.55Å |
| 894 | F | 94.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 0% | 0.004 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.7 | -37.4 | 171 | -69.7 | -39.1 | 0 | 0 | 0 | 112.4 | L890 S891 D896 H897 E898 F903 V907 F934 L935 I940 V941 | L890-F894 HydrophobicContact CD1-CD2 4.48Å; L890-F894 HydrophobicContact CD1-CE1 4.05Å; L890-F894 HydrophobicContact CD1-CE2 3.88Å; L890-F894 HydrophobicContact CD1-CZ 3.62Å; L890-F894 HydrophobicContact CD2-CE2 4.05Å; L890-F894 HydrophobicContact CD2-CZ 4.19Å; L890-F894 HydrophobicContact CG-CD2 4.14Å; L890-F894 HydrophobicContact CG-CE2 3.52Å; L890-F894 HydrophobicContact CG-CZ 3.78Å; L890-F894 WeakPolarHBondContact O-CD2 3.35Å; L890-F894 WeakPolarHBondContact O-CG 3.19Å; L890-F894 PolarHBondContact O-N 3.35Å; S891-F894 PolarHBondContact O-N 3.06Å; F894-D896 VanDerWaalsContact C-N 3.31Å; F894-D896 PolarHBondContact O-N 3.43Å; F894-H897 CarbonylContact O-C 3.57Å; F894-H897 VanDerWaalsContact O-C 3.23Å; F894-H897 WeakPolarHBondContact O-CA 3.29Å; F894-H897 PolarHBondContact O-N 2.96Å; F894-E898 PolarHBondContact O-N 2.76Å; F894-F903 HydrophobicContact CD1-CE1 4.03Å; F894-F903 AromaticContact CE1-CE1 3.99Å; F894-F903 HydrophobicContact CE1-CE1 3.99Å; F894-V907 HydrophobicContact CE1-CG1 4.49Å; F894-V907 HydrophobicContact CE1-CG2 4.34Å; F894-V907 HydrophobicContact CZ-CG1 4.27Å; F894-F934 HydrophobicContact CE2-CE1 4.47Å; F894-L935 HydrophobicContact CE2-CD2 3.39Å; F894-L935 HydrophobicContact CZ-CD2 3.61Å; F894-I940 HydrophobicContact CB-CB 4.4Å; F894-I940 HydrophobicContact CB-CG2 4.36Å; F894-V941 HydrophobicContact CD2-CG2 3.8Å; F894-V941 HydrophobicContact CE2-CG2 3.87Å; F894-V941 HydrophobicContact CG-CG2 4.24Å; F894-V941 HydrophobicContact CZ-CG2 4.38Å |
| 895 | L | 93.4 | Very high | 93.1 | Very high | 101 Ų | 101 | 49.5 Ų | 49.5 | 53% | 0.529 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.1 | -41.5 | 174.6 | -178.5 | 63.9 | 0 | 0 | 0 | 111.8 | S891 A892 Y893 H897 E898 I940 | S891-L895 PolarHBondContact O-N 3.17Å; A892-L895 WeakPolarHBondContact O-CB 3.35Å; A892-L895 PolarHBondContact O-N 3.09Å; Y893-L895 VanDerWaalsContact C-N 3.34Å; L895-H897 PolarHBondContact O-N 2.79Å; L895-E898 PolarHBondContact O-N 3.44Å; L895-I940 HydrophobicContact CD1-CD1 3.94Å; L895-I940 HydrophobicContact CD1-CG1 4.37Å |
| 896 | D | 92.2 | Very high | 92.9 | Very high | 124 Ų | 124 | 52.5 Ų | 52.5 | 66% | 0.663 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -63.3 | -21.6 | 174.9 | -67.7 | -23 | 0 | 0 | 0 | 112.7 | A892 Y893 F894 | A892-D896 PolarHBondContact O-N 3.26Å; Y893-D896 PolarHBondContact O-N 3.35Å; F894-D896 VanDerWaalsContact C-N 3.31Å; F894-D896 PolarHBondContact O-N 3.43Å |
| 897 | H | 92.2 | Very high | 92.8 | Very high | 42 Ų | 42 | 52.7 Ų | 52.7 | 19% | 0.194 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | 19.6 | -177.9 | -66.4 | 80.5 | 0 | 0 | 0 | 113.5 | D859 Y893 F894 L895 S899 D900 F903 | D859-H897 IonicContact OD1-CE1 3.07Å; D859-H897 PolarHBondContact OD1-CE1 3.48Å; D859-H897 IonicContact OD1-NE2 3.14Å; D859-H897 PolarHBondContact OD1-NE2 3.47Å; D859-H897 VanDerWaalsContact OD1-NE2 3.14Å; Y893-H897 AromaticContact CD2-CE1 3.94Å; Y893-H897 AromaticContact CD2-ND1 4Å; Y893-H897 AromaticContact CE1-ND1 3.92Å; Y893-H897 AromaticContact CE2-CE1 3.25Å; Y893-H897 WeakPolarHBondContact CE2-CE1 3.47Å; Y893-H897 AromaticContact CE2-ND1 3.66Å; Y893-H897 AromaticContact CZ-CE1 3.38Å; Y893-H897 AromaticContact CZ-ND1 3.62Å; Y893-H897 PolarHBondContact O-N 3.37Å; Y893-H897 PolarHBondContact O-ND1 2.91Å; F894-H897 CarbonylContact O-C 3.57Å; F894-H897 VanDerWaalsContact O-C 3.23Å; F894-H897 WeakPolarHBondContact O-CA 3.29Å; F894-H897 PolarHBondContact O-N 2.96Å; L895-H897 PolarHBondContact O-N 2.79Å; H897-S899 PolarHBondContact O-N 3.08Å; H897-S899 VanDerWaalsContact O-N 3.08Å; H897-D900 PolarHBondContact O-N 3.49Å; H897-F903 HydrophobicContact CB-CD1 4.05Å; H897-F903 HydrophobicContact CB-CE1 4.45Å |
| 898 | E | 88.4 | Confident | 92.7 | Very high | 96 Ų | 96 | 51.4 Ų | 51.4 | 45% | 0.449 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -32.3 | -176.3 | 174 | 178 | -165.1 | 0 | 0 | 112.9 | F894 L895 D900 I940 | F894-E898 PolarHBondContact O-N 2.76Å; L895-E898 PolarHBondContact O-N 3.44Å; E898-D900 VanDerWaalsContact C-N 3.35Å; E898-I940 HydrophobicContact CB-CD1 4.23Å; E898-I940 HydrophobicContact CB-CG2 3.87Å; E898-I940 HydrophobicContact CG-CD1 3.93Å; E898-I940 HydrophobicContact CG-CG2 4.04Å |
| 899 | S | 87.5 | Confident | 92.6 | Very high | 123 Ų | 123 | 53.7 Ų | 53.7 | 86% | 0.86 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -11.9 | 178.9 | -58.9 | 0 | 0 | 0 | 0 | 114.2 | H897 Q901 | H897-S899 PolarHBondContact O-N 3.08Å; H897-S899 VanDerWaalsContact O-N 3.08Å; S899-Q901 PolarHBondContact O-N 3.08Å |
| 900 | D | 90.5 | Very high | 92.7 | Very high | 68 Ų | 68 | 54.2 Ų | 54.2 | 36% | 0.364 | 29% | 0.291 | S | S | . | . | trans | -97.7 | 82 | -177.9 | -167.7 | -14.5 | 0 | 0 | 0 | 111.6 | H897 E898 L902 F903 I904 | H897-D900 PolarHBondContact O-N 3.49Å; E898-D900 VanDerWaalsContact C-N 3.35Å; D900-L902 PolarHBondContact O-N 3.44Å; D900-L902 PolarHBondContact OD1-N 2.81Å; D900-F903 HydrophobicContact CB-CB 3.97Å; D900-F903 PolarHBondContact O-N 3.08Å; D900-F903 PolarHBondContact OD1-N 2.79Å; D900-F903 WeakPolarHBondContact OD2-CB 3.45Å; D900-I904 PolarHBondContact O-N 3.44Å | ||
| 901 | Q | 87.1 | Confident | 92.7 | Very high | 120 Ų | 120 | 54.1 Ų | 54.1 | 56% | 0.561 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -64.2 | -29.6 | 179.1 | -51.9 | -166.4 | -41 | 0 | 0 | 113.2 | S899 V905 T944 | S899-Q901 PolarHBondContact O-N 3.08Å; Q901-V905 VanDerWaalsContact O-CG2 3.3Å; Q901-V905 WeakPolarHBondContact O-CG2 3.12Å; Q901-V905 PolarHBondContact O-N 2.79Å; Q901-V905 VanDerWaalsContact O-N 3.14Å; Q901-T944 HydrophobicContact CB-CG2 3.62Å; Q901-T944 HydrophobicContact CG-CG2 3.6Å |
| 902 | L | 90.3 | Very high | 92.7 | Very high | 143 Ų | 143 | 53.1 Ų | 53.1 | 75% | 0.749 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -68.9 | -42.2 | 180 | -71 | 174.5 | 0 | 0 | 0 | 110.6 | D900 V905 E906 | D900-L902 PolarHBondContact O-N 3.44Å; D900-L902 PolarHBondContact OD1-N 2.81Å; L902-V905 PolarHBondContact O-N 2.73Å; L902-E906 WeakPolarHBondContact O-CB 3.31Å; L902-E906 PolarHBondContact O-N 2.85Å |
| 903 | F | 92.5 | Very high | 92.8 | Very high | 5 Ų | 5 | 56.2 Ų | 56.2 | 2% | 0.022 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58 | -50.5 | 175.1 | 172.3 | -104.5 | 0 | 0 | 0 | 112 | L858 Y893 F894 H897 D900 V905 E906 V907 | L858-F903 HydrophobicContact CB-CE2 4.17Å; L858-F903 HydrophobicContact CB-CZ 4.03Å; Y893-F903 HydrophobicContact CD1-CE1 4.45Å; Y893-F903 HydrophobicContact CD1-CZ 4.46Å; Y893-F903 AromaticContact CE1-CE1 3.78Å; Y893-F903 HydrophobicContact CE1-CE1 3.78Å; Y893-F903 HydrophobicContact CE1-CE2 4.46Å; Y893-F903 AromaticContact CE1-CZ 3.55Å; Y893-F903 HydrophobicContact CE1-CZ 3.55Å; F894-F903 HydrophobicContact CD1-CE1 4.03Å; F894-F903 AromaticContact CE1-CE1 3.99Å; F894-F903 HydrophobicContact CE1-CE1 3.99Å; H897-F903 HydrophobicContact CB-CD1 4.05Å; H897-F903 HydrophobicContact CB-CE1 4.45Å; D900-F903 HydrophobicContact CB-CB 3.97Å; D900-F903 PolarHBondContact O-N 3.08Å; D900-F903 PolarHBondContact OD1-N 2.79Å; D900-F903 WeakPolarHBondContact OD2-CB 3.45Å; F903-V905 VanDerWaalsContact C-N 3.33Å; F903-V905 PolarHBondContact O-N 3Å; F903-E906 WeakPolarHBondContact O-CA 3.24Å; F903-E906 WeakPolarHBondContact O-CB 3.47Å; F903-E906 PolarHBondContact O-N 3.05Å; F903-V907 HydrophobicContact CD2-CG2 4.48Å; F903-V907 HydrophobicContact CE1-CG2 3.94Å; F903-V907 HydrophobicContact CE2-CG2 3.89Å; F903-V907 HydrophobicContact CZ-CG2 3.53Å; F903-V907 WeakPolarHBondContact O-CG2 3.44Å; F903-V907 PolarHBondContact O-N 3.46Å |
| 904 | I | 91.2 | Very high | 92.9 | Very high | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.2 | -42.7 | -179.7 | -67.3 | 172.1 | 0 | 0 | 0 | 111.2 | D900 E906 V907 L908 I940 V941 T944 | D900-I904 PolarHBondContact O-N 3.44Å; I904-E906 VanDerWaalsContact C-N 3.29Å; I904-E906 PolarHBondContact O-N 2.89Å; I904-V907 PolarHBondContact O-N 3.15Å; I904-L908 PolarHBondContact O-N 3.43Å; I904-I940 HydrophobicContact CD1-CG2 3.88Å; I904-V941 HydrophobicContact CG2-CB 4.43Å; I904-V941 HydrophobicContact CG2-CG1 4.11Å; I904-V941 HydrophobicContact CG2-CG2 4.32Å; I904-T944 HydrophobicContact CB-CG2 4.09Å; I904-T944 HydrophobicContact CD1-CG2 3.79Å; I904-T944 HydrophobicContact CG1-CG2 4.48Å; I904-T944 HydrophobicContact CG2-CG2 4.24Å |
| 905 | V | 91.1 | Very high | 93 | Very high | 35 Ų | 35 | 56 Ų | 56 | 21% | 0.212 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.3 | -35.2 | 175.7 | 169.8 | 0 | 0 | 0 | 0 | 111.7 | Q901 L902 F903 L908 K909 | Q901-V905 VanDerWaalsContact O-CG2 3.3Å; Q901-V905 WeakPolarHBondContact O-CG2 3.12Å; Q901-V905 PolarHBondContact O-N 2.79Å; Q901-V905 VanDerWaalsContact O-N 3.14Å; L902-V905 PolarHBondContact O-N 2.73Å; F903-V905 VanDerWaalsContact C-N 3.33Å; F903-V905 PolarHBondContact O-N 3Å; V905-L908 PolarHBondContact O-N 2.86Å; V905-K909 HydrophobicContact CG1-CD 4.47Å; V905-K909 WeakPolarHBondContact O-CG 3.27Å; V905-K909 PolarHBondContact O-N 3.23Å |
| 906 | E | 93.1 | Very high | 93 | Very high | 68 Ų | 68 | 57 Ų | 57 | 32% | 0.318 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.3 | -41.7 | 176 | -166.1 | 179.5 | 154.1 | 0 | 0 | 112.4 | R864 L902 F903 I904 L908 K909 I910 | R864-E906 IonicContact CZ-OE1 3.84Å; R864-E906 IonicContact CZ-OE2 3.45Å; R864-E906 IonicContact NH1-OE1 2.75Å; R864-E906 PolarHBondContact NH1-OE1 2.79Å; R864-E906 IonicContact NH1-OE2 3.76Å; R864-E906 PolarHBondContact NH1-OE2 3.24Å; L902-E906 WeakPolarHBondContact O-CB 3.31Å; L902-E906 PolarHBondContact O-N 2.85Å; F903-E906 WeakPolarHBondContact O-CA 3.24Å; F903-E906 WeakPolarHBondContact O-CB 3.47Å; F903-E906 PolarHBondContact O-N 3.05Å; I904-E906 VanDerWaalsContact C-N 3.29Å; I904-E906 PolarHBondContact O-N 2.89Å; E906-L908 VanDerWaalsContact C-N 3.29Å; E906-L908 PolarHBondContact O-N 2.91Å; E906-K909 WeakPolarHBondContact O-CB 3.39Å; E906-K909 PolarHBondContact O-N 3.48Å; E906-K909 VanDerWaalsContact O-N 3.1Å; E906-I910 HydrophobicContact CG-CD1 4.35Å; E906-I910 WeakPolarHBondContact O-CG1 3.5Å; E906-I910 PolarHBondContact O-N 3.12Å |
| 907 | V | 94.4 | Very high | 93.2 | Very high | 5 Ų | 5 | 54.8 Ų | 54.8 | 3% | 0.03 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -55.4 | -45.7 | 173.3 | 172.8 | 0 | 0 | 0 | 0 | 110.6 | I868 F894 F903 I904 K909 I910 V911 L935 | I868-V907 HydrophobicContact CD1-CB 4.34Å; I868-V907 HydrophobicContact CD1-CG1 4.01Å; I868-V907 HydrophobicContact CD1-CG2 4.25Å; F894-V907 HydrophobicContact CE1-CG1 4.49Å; F894-V907 HydrophobicContact CE1-CG2 4.34Å; F894-V907 HydrophobicContact CZ-CG1 4.27Å; F903-V907 HydrophobicContact CD2-CG2 4.48Å; F903-V907 HydrophobicContact CE1-CG2 3.94Å; F903-V907 HydrophobicContact CE2-CG2 3.89Å; F903-V907 HydrophobicContact CZ-CG2 3.53Å; F903-V907 WeakPolarHBondContact O-CG2 3.44Å; F903-V907 PolarHBondContact O-N 3.46Å; I904-V907 PolarHBondContact O-N 3.15Å; V907-K909 PolarHBondContact O-N 3.04Å; V907-I910 PolarHBondContact O-N 3.42Å; V907-V911 WeakPolarHBondContact O-CG2 3.39Å; V907-V911 PolarHBondContact O-N 3.07Å; V907-L935 HydrophobicContact CG1-CD1 4.38Å |
| 908 | L | 94 | Very high | 93.2 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.6 | -37.5 | 177 | -66 | 172.4 | 0 | 0 | 0 | 113.1 | I904 V905 E906 I910 V911 G912 L932 L935 I945 I951 L955 | I904-L908 PolarHBondContact O-N 3.43Å; V905-L908 PolarHBondContact O-N 2.86Å; E906-L908 VanDerWaalsContact C-N 3.29Å; E906-L908 PolarHBondContact O-N 2.91Å; L908-I910 VanDerWaalsContact C-N 3.34Å; L908-V911 PolarHBondContact O-N 2.85Å; L908-G912 PolarHBondContact O-N 3.37Å; L908-L932 HydrophobicContact CD2-CD1 4.48Å; L908-L935 HydrophobicContact CD2-CD1 3.97Å; L908-I945 HydrophobicContact CD1-CD1 3.58Å; L908-I945 HydrophobicContact CD1-CG1 3.72Å; L908-I951 HydrophobicContact CB-CG1 4.11Å; L908-I951 HydrophobicContact CD1-CG2 4.42Å; L908-L955 HydrophobicContact CB-CD1 4.39Å; L908-L955 HydrophobicContact CD2-CD1 4.32Å |
| 909 | K | 95.2 | Very high | 93.3 | Very high | 112 Ų | 112 | 57 Ų | 57 | 49% | 0.487 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 173.5 | -73.7 | 172.1 | -177.2 | 170.2 | 0 | 111.1 | V905 E906 V907 G912 Q913 I951 | V905-K909 HydrophobicContact CG1-CD 4.47Å; V905-K909 WeakPolarHBondContact O-CG 3.27Å; V905-K909 PolarHBondContact O-N 3.23Å; E906-K909 WeakPolarHBondContact O-CB 3.39Å; E906-K909 PolarHBondContact O-N 3.48Å; E906-K909 VanDerWaalsContact O-N 3.1Å; V907-K909 PolarHBondContact O-N 3.04Å; K909-G912 PolarHBondContact O-N 3.43Å; K909-Q913 WeakPolarHBondContact O-CG 3.46Å; K909-Q913 PolarHBondContact O-N 2.98Å; K909-I951 HydrophobicContact CB-CD1 4.44Å; K909-I951 HydrophobicContact CG-CD1 3.64Å |
| 910 | I | 97 | Very high | 93.2 | Very high | 11 Ų | 11 | 58.8 Ų | 58.8 | 6% | 0.056 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 177.4 | -67.6 | 170.5 | 0 | 0 | 0 | 110.8 | R864 Y865 I868 E906 V907 L908 G912 Q913 I914 | R864-I910 HydrophobicContact CB-CD1 3.52Å; R864-I910 HydrophobicContact CG-CD1 4.49Å; Y865-I910 HydrophobicContact CD2-CG2 4.07Å; I868-I910 HydrophobicContact CB-CG2 4.04Å; I868-I910 HydrophobicContact CD1-CB 3.85Å; I868-I910 HydrophobicContact CD1-CD1 3.83Å; I868-I910 HydrophobicContact CD1-CG1 4.45Å; I868-I910 HydrophobicContact CD1-CG2 3.62Å; I868-I910 HydrophobicContact CG1-CG2 4.41Å; I868-I910 HydrophobicContact CG2-CG2 4.1Å; E906-I910 HydrophobicContact CG-CD1 4.35Å; E906-I910 WeakPolarHBondContact O-CG1 3.5Å; E906-I910 PolarHBondContact O-N 3.12Å; V907-I910 PolarHBondContact O-N 3.42Å; L908-I910 VanDerWaalsContact C-N 3.34Å; I910-G912 VanDerWaalsContact C-N 3.28Å; I910-G912 PolarHBondContact O-N 3.2Å; I910-Q913 WeakPolarHBondContact O-CB 3.33Å; I910-Q913 PolarHBondContact O-N 3.16Å; I910-Q913 VanDerWaalsContact O-N 3.13Å; I910-I914 HydrophobicContact CG2-CD1 3.79Å; I910-I914 HydrophobicContact CG2-CG1 4.32Å; I910-I914 WeakPolarHBondContact O-CG1 3.42Å; I910-I914 PolarHBondContact O-N 3.46Å |
| 911 | V | 96.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.2 | -43.3 | 173.4 | 173 | 0 | 0 | 0 | 0 | 111 | I868 V907 L908 I914 L915 L928 F931 L935 | I868-V911 HydrophobicContact CG2-CG2 3.91Å; V907-V911 WeakPolarHBondContact O-CG2 3.39Å; V907-V911 PolarHBondContact O-N 3.07Å; L908-V911 PolarHBondContact O-N 2.85Å; V911-I914 PolarHBondContact O-N 3.15Å; V911-L915 PolarHBondContact O-N 3.01Å; V911-L928 HydrophobicContact CG1-CD2 4.03Å; V911-L928 HydrophobicContact CG1-CG 4.32Å; V911-F931 HydrophobicContact CG2-CD1 3.98Å; V911-F931 HydrophobicContact CG2-CE1 3.61Å; V911-L935 HydrophobicContact CG2-CD1 4.05Å |
| 912 | G | 95.9 | Very high | 93 | Very high | 15 Ų | 15 | 59.1 Ų | 59.1 | 16% | 0.155 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L908 K909 I910 L915 Q916 | L908-G912 PolarHBondContact O-N 3.37Å; K909-G912 PolarHBondContact O-N 3.43Å; I910-G912 VanDerWaalsContact C-N 3.28Å; I910-G912 PolarHBondContact O-N 3.2Å; G912-L915 PolarHBondContact O-N 3.18Å; G912-Q916 PolarHBondContact O-N 3.46Å |
| 913 | Q | 96.9 | Very high | 92.8 | Very high | 101 Ų | 101 | 53.5 Ų | 53.5 | 47% | 0.472 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.1 | -44.7 | 174.9 | -70.8 | 172.8 | 3.1 | 0 | 0 | 111.7 | Y865 K909 I910 Q916 S917 | Y865-Q913 HydrophobicContact CE2-CB 4.36Å; K909-Q913 WeakPolarHBondContact O-CG 3.46Å; K909-Q913 PolarHBondContact O-N 2.98Å; I910-Q913 WeakPolarHBondContact O-CB 3.33Å; I910-Q913 PolarHBondContact O-N 3.16Å; I910-Q913 VanDerWaalsContact O-N 3.13Å; Q913-Q916 CarbonylContact O-C 3.5Å; Q913-Q916 WeakPolarHBondContact O-CB 3.41Å; Q913-Q916 PolarHBondContact O-N 3.3Å; Q913-Q916 VanDerWaalsContact O-N 3.13Å; Q913-S917 PolarHBondContact O-N 3.48Å; Q913-S917 PolarHBondContact O-OG 3.31Å |
| 914 | I | 97.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 177.9 | -68.4 | 167.4 | 0 | 0 | 0 | 110.6 | Y865 I868 L869 I872 I910 V911 Q916 S917 F918 I924 L928 | Y865-I914 HydrophobicContact CD2-CG1 4.14Å; Y865-I914 HydrophobicContact CE1-CG1 4.47Å; Y865-I914 HydrophobicContact CE2-CG1 3.61Å; I868-I914 HydrophobicContact CB-CD1 4.15Å; I868-I914 HydrophobicContact CG2-CD1 3.72Å; L869-I914 HydrophobicContact CB-CD1 4Å; L869-I914 HydrophobicContact CD1-CG2 3.78Å; I872-I914 HydrophobicContact CD1-CB 4.39Å; I872-I914 HydrophobicContact CD1-CD1 3.82Å; I872-I914 HydrophobicContact CD1-CG2 3.94Å; I910-I914 HydrophobicContact CG2-CD1 3.79Å; I910-I914 HydrophobicContact CG2-CG1 4.32Å; I910-I914 WeakPolarHBondContact O-CG1 3.42Å; I910-I914 PolarHBondContact O-N 3.46Å; V911-I914 PolarHBondContact O-N 3.15Å; I914-Q916 PolarHBondContact O-N 2.87Å; I914-S917 PolarHBondContact O-N 3.24Å; I914-S917 VanDerWaalsContact O-N 3.13Å; I914-F918 HydrophobicContact CG2-CD2 3.87Å; I914-F918 HydrophobicContact CG2-CE2 4.4Å; I914-F918 WeakPolarHBondContact O-CD2 3.28Å; I914-F918 PolarHBondContact O-N 3.08Å; I914-I924 HydrophobicContact CG2-CG2 4.16Å; I914-L928 HydrophobicContact CB-CD1 4.3Å; I914-L928 HydrophobicContact CG2-CD1 3.78Å |
| 915 | L | 95.9 | Very high | 93.1 | Very high | 3 Ų | 3 | 53.2 Ų | 53.2 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60 | -34.5 | 175.6 | -177.4 | 54.4 | 0 | 0 | 0 | 111.8 | V911 G912 R919 L928 F929 V959 E962 | V911-L915 PolarHBondContact O-N 3.01Å; G912-L915 PolarHBondContact O-N 3.18Å; L915-R919 WeakPolarHBondContact O-CG 3.27Å; L915-L928 HydrophobicContact CB-CD1 3.77Å; L915-L928 HydrophobicContact CB-CD2 4.06Å; L915-L928 HydrophobicContact CD1-CD1 4.27Å; L915-L928 HydrophobicContact CD1-CD2 4.11Å; L915-L928 HydrophobicContact CD2-CD2 4.09Å; L915-L928 HydrophobicContact CG-CD2 4.31Å; L915-F929 HydrophobicContact CD1-CE1 4.04Å; L915-F929 HydrophobicContact CD2-CE1 4.31Å; L915-V959 HydrophobicContact CD2-CG2 4.15Å; L915-E962 HydrophobicContact CD1-CG 4.1Å |
| 916 | Q | 94.6 | Very high | 93.3 | Very high | 123 Ų | 123 | 52.5 Ų | 52.5 | 58% | 0.575 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -72.4 | -38.4 | 174 | 173.1 | 166.2 | 9.6 | 0 | 0 | 113.4 | G912 Q913 I914 R919 | G912-Q916 PolarHBondContact O-N 3.46Å; Q913-Q916 CarbonylContact O-C 3.5Å; Q913-Q916 WeakPolarHBondContact O-CB 3.41Å; Q913-Q916 PolarHBondContact O-N 3.3Å; Q913-Q916 VanDerWaalsContact O-N 3.13Å; I914-Q916 PolarHBondContact O-N 2.87Å; Q916-R919 WeakPolarHBondContact O-CG 3.5Å |
| 917 | S | 94.7 | Very high | 93.4 | Very high | 77 Ų | 77 | 50.1 Ų | 50.1 | 54% | 0.538 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -70 | -35.8 | 179 | -64.3 | 0 | 0 | 0 | 0 | 112.8 | Y865 Q913 I914 | Y865-S917 PolarHBondContact OH-OG 2.87Å; Q913-S917 PolarHBondContact O-N 3.48Å; Q913-S917 PolarHBondContact O-OG 3.31Å; I914-S917 PolarHBondContact O-N 3.24Å; I914-S917 VanDerWaalsContact O-N 3.13Å |
| 918 | F | 93.4 | Very high | 93.6 | Very high | 42 Ų | 42 | 49.9 Ų | 49.9 | 18% | 0.184 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | 31.7 | -172.5 | -68 | -86.5 | 0 | 0 | 0 | 113.3 | L869 I914 Q920 E921 I924 V925 | L869-F918 HydrophobicContact CD1-CD2 4.27Å; L869-F918 HydrophobicContact CD1-CE2 3.86Å; L869-F918 HydrophobicContact CD1-CZ 4.23Å; L869-F918 HydrophobicContact CD2-CE2 3.89Å; L869-F918 HydrophobicContact CD2-CZ 3.85Å; I914-F918 HydrophobicContact CG2-CD2 3.87Å; I914-F918 HydrophobicContact CG2-CE2 4.4Å; I914-F918 WeakPolarHBondContact O-CD2 3.28Å; I914-F918 PolarHBondContact O-N 3.08Å; F918-Q920 PolarHBondContact O-N 3.4Å; F918-E921 HydrophobicContact CB-CB 4.36Å; F918-E921 VanDerWaalsContact CD1-OE2 3.32Å; F918-E921 WeakPolarHBondContact CD1-OE2 3.35Å; F918-E921 WeakPolarHBondContact O-CB 3.3Å; F918-E921 PolarHBondContact O-N 2.85Å; F918-E921 VanDerWaalsContact O-N 3.12Å; F918-I924 HydrophobicContact CB-CB 3.94Å; F918-I924 HydrophobicContact CB-CG1 4.23Å; F918-I924 HydrophobicContact CB-CG2 3.79Å; F918-I924 HydrophobicContact CD1-CG1 3.89Å; F918-I924 HydrophobicContact CD2-CG2 4.49Å; F918-I924 HydrophobicContact CE1-CG1 4.48Å; F918-I924 HydrophobicContact CG-CB 4.3Å; F918-I924 HydrophobicContact CG-CG1 4.07Å; F918-I924 HydrophobicContact CG-CG2 4.12Å; F918-V925 WeakPolarHBondContact O-CG2 3.45Å |
| 919 | R | 89.1 | Confident | 93.8 | Very high | 144 Ų | 144 | 49.8 Ų | 49.8 | 54% | 0.543 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 141 | 176.8 | -69.5 | 179.9 | -167.7 | 179.4 | 2.4 | 110.8 | L915 Q916 E921 E962 | L915-R919 WeakPolarHBondContact O-CG 3.27Å; Q916-R919 WeakPolarHBondContact O-CG 3.5Å; R919-E921 PolarHBondContact O-N 3.09Å; R919-E962 WeakPolarHBondContact CB-OE1 3.47Å; R919-E962 WeakPolarHBondContact CG-OE1 3.26Å |
| 920 | Q | 86.1 | Confident | 93.9 | Very high | 160 Ų | 160 | 47.6 Ų | 47.6 | 75% | 0.748 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | -3.4 | -178.1 | -50.8 | 179.7 | -10.2 | 0 | 0 | 115.7 | F918 E922 E962 | F918-Q920 PolarHBondContact O-N 3.4Å; Q920-E922 PolarHBondContact O-N 3.14Å; Q920-E962 PolarHBondContact N-OE2 2.86Å |
| 921 | E | 89.2 | Confident | 93.9 | Very high | 68 Ų | 68 | 47.1 Ų | 47.1 | 32% | 0.318 | 23% | 0.227 | S | C | . | . | trans | -82.6 | 98.3 | 177.3 | -168.9 | 170.8 | 147.8 | 0 | 0 | 110.8 | F918 R919 R923 I924 V925 | F918-E921 HydrophobicContact CB-CB 4.36Å; F918-E921 VanDerWaalsContact CD1-OE2 3.32Å; F918-E921 WeakPolarHBondContact CD1-OE2 3.35Å; F918-E921 WeakPolarHBondContact O-CB 3.3Å; F918-E921 PolarHBondContact O-N 2.85Å; F918-E921 VanDerWaalsContact O-N 3.12Å; R919-E921 PolarHBondContact O-N 3.09Å; E921-R923 HydrophobicContact CG-CB 4.17Å; E921-R923 PolarHBondContact O-N 3.45Å; E921-R923 VanDerWaalsContact O-N 3.08Å; E921-R923 IonicContact OE1-CZ 2.7Å; E921-R923 VanDerWaalsContact OE1-CZ 3.24Å; E921-R923 IonicContact OE1-NE 2.63Å; E921-R923 PolarHBondContact OE1-NE 3.27Å; E921-R923 IonicContact OE1-NH2 3.04Å; E921-R923 PolarHBondContact OE1-NH2 2.91Å; E921-I924 PolarHBondContact O-N 3.27Å; E921-V925 WeakPolarHBondContact O-CG2 3.45Å; E921-V925 PolarHBondContact O-N 2.93Å | ||
| 922 | E | 83.3 | Confident | 93.9 | Very high | 126 Ų | 126 | 47.1 Ų | 47.1 | 59% | 0.589 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -54 | -33.5 | -176.2 | -167.6 | 179.1 | 162.4 | 0 | 0 | 113.4 | Q920 I924 | Q920-E922 PolarHBondContact O-N 3.14Å; E922-I924 PolarHBondContact O-N 2.76Å |
| 923 | R | 87.6 | Confident | 93.9 | Very high | 26 Ų | 26 | 48.1 Ų | 48.1 | 10% | 0.098 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.8 | -33.9 | 176.7 | -175.7 | -173.7 | 65.7 | 93.6 | 3.4 | 112.8 | Y744 E921 P927 | Y744-R923 VanDerWaalsContact CD1-NH1 3.25Å; E921-R923 HydrophobicContact CG-CB 4.17Å; E921-R923 PolarHBondContact O-N 3.45Å; E921-R923 VanDerWaalsContact O-N 3.08Å; E921-R923 IonicContact OE1-CZ 2.7Å; E921-R923 VanDerWaalsContact OE1-CZ 3.24Å; E921-R923 IonicContact OE1-NE 2.63Å; E921-R923 PolarHBondContact OE1-NE 3.27Å; E921-R923 IonicContact OE1-NH2 3.04Å; E921-R923 PolarHBondContact OE1-NH2 2.91Å; R923-P927 WeakPolarHBondContact O-CD 3.38Å; R923-P927 WeakPolarHBondContact O-CG 3.24Å |
| 924 | I | 93.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -105.5 | -42.7 | -175.5 | -62.4 | -56.9 | 0 | 0 | 0 | 111.3 | L869 V873 I914 F918 E921 E922 V926 P927 L928 | L869-I924 HydrophobicContact CD1-CD1 3.99Å; L869-I924 HydrophobicContact CD1-CG2 4.48Å; V873-I924 HydrophobicContact CG2-CD1 3.53Å; I914-I924 HydrophobicContact CG2-CG2 4.16Å; F918-I924 HydrophobicContact CB-CB 3.94Å; F918-I924 HydrophobicContact CB-CG1 4.23Å; F918-I924 HydrophobicContact CB-CG2 3.79Å; F918-I924 HydrophobicContact CD1-CG1 3.89Å; F918-I924 HydrophobicContact CD2-CG2 4.49Å; F918-I924 HydrophobicContact CE1-CG1 4.48Å; F918-I924 HydrophobicContact CG-CB 4.3Å; F918-I924 HydrophobicContact CG-CG1 4.07Å; F918-I924 HydrophobicContact CG-CG2 4.12Å; E921-I924 PolarHBondContact O-N 3.27Å; E922-I924 PolarHBondContact O-N 2.76Å; I924-V926 PolarHBondContact O-N 2.78Å; I924-P927 WeakPolarHBondContact O-CD 3.34Å; I924-L928 HydrophobicContact CG2-CB 4.46Å; I924-L928 HydrophobicContact CG2-CD1 4.23Å; I924-L928 WeakPolarHBondContact O-CB 3.37Å; I924-L928 PolarHBondContact O-N 2.62Å |
| 925 | V | 95.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.5 | -46 | -170.8 | 173.3 | 0 | 0 | 0 | 0 | 112.6 | F918 E921 L928 F929 E962 R971 | F918-V925 WeakPolarHBondContact O-CG2 3.45Å; E921-V925 WeakPolarHBondContact O-CG2 3.45Å; E921-V925 PolarHBondContact O-N 2.93Å; V925-L928 PolarHBondContact O-N 3.23Å; V925-F929 HydrophobicContact CG1-CD1 4.49Å; V925-F929 HydrophobicContact CG1-CE1 3.97Å; V925-F929 HydrophobicContact CG1-CE2 4.03Å; V925-F929 HydrophobicContact CG1-CZ 3.72Å; V925-F929 WeakPolarHBondContact O-CD1 3.26Å; V925-F929 WeakPolarHBondContact O-CG 3.45Å; V925-F929 PolarHBondContact O-N 3.2Å; V925-E962 HydrophobicContact CG1-CB 4.28Å; V925-R971 HydrophobicContact CG1-CG 4.11Å |
| 926 | V | 94.9 | Very high | 93.7 | Very high | 19 Ų | 19 | 44.9 Ų | 44.9 | 12% | 0.115 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69.3 | -49 | -178.5 | 179.1 | 0 | 0 | 0 | 0 | 111.9 | I924 L928 F929 K930 R971 A974 | I924-V926 PolarHBondContact O-N 2.78Å; V926-L928 VanDerWaalsContact C-N 3.25Å; V926-L928 PolarHBondContact O-N 3.11Å; V926-F929 PolarHBondContact O-N 3.32Å; V926-K930 PolarHBondContact O-N 2.9Å; V926-R971 HydrophobicContact CG2-CB 3.79Å; V926-R971 HydrophobicContact CG2-CG 4.15Å; V926-A974 HydrophobicContact CG1-CB 4.33Å |
| 927 | P | 96.6 | Very high | 93.6 | Very high | 18 Ų | 18 | 42.9 Ų | 42.9 | 12% | 0.117 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.7 | -35.6 | 172.1 | -28.2 | 37.8 | 0 | 0 | 0 | 113.6 | I872 G876 R923 I924 K930 F931 | I872-P927 HydrophobicContact CG2-CB 4.2Å; I872-P927 WeakPolarHBondContact O-CB 3.36Å; G876-P927 WeakPolarHBondContact CA-O 3.29Å; G876-P927 WeakPolarHBondContact O-CA 3.28Å; R923-P927 WeakPolarHBondContact O-CD 3.38Å; R923-P927 WeakPolarHBondContact O-CG 3.24Å; I924-P927 WeakPolarHBondContact O-CD 3.34Å; P927-K930 PolarHBondContact O-N 2.92Å; P927-F931 WeakPolarHBondContact O-CB 3.38Å; P927-F931 PolarHBondContact O-N 3.18Å |
| 928 | L | 97.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.7 | -40.9 | 177.8 | -170.4 | 156.5 | 0 | 0 | 0 | 111.6 | I872 V911 I914 L915 I924 V925 V926 K930 F931 L932 | I872-L928 HydrophobicContact CD1-CD1 4.05Å; I872-L928 HydrophobicContact CD1-CG 4.12Å; I872-L928 HydrophobicContact CG2-CB 3.81Å; I872-L928 HydrophobicContact CG2-CG 4.4Å; V911-L928 HydrophobicContact CG1-CD2 4.03Å; V911-L928 HydrophobicContact CG1-CG 4.32Å; I914-L928 HydrophobicContact CB-CD1 4.3Å; I914-L928 HydrophobicContact CG2-CD1 3.78Å; L915-L928 HydrophobicContact CB-CD1 3.77Å; L915-L928 HydrophobicContact CB-CD2 4.06Å; L915-L928 HydrophobicContact CD1-CD1 4.27Å; L915-L928 HydrophobicContact CD1-CD2 4.11Å; L915-L928 HydrophobicContact CD2-CD2 4.09Å; L915-L928 HydrophobicContact CG-CD2 4.31Å; I924-L928 HydrophobicContact CG2-CB 4.46Å; I924-L928 HydrophobicContact CG2-CD1 4.23Å; I924-L928 WeakPolarHBondContact O-CB 3.37Å; I924-L928 PolarHBondContact O-N 2.62Å; V925-L928 PolarHBondContact O-N 3.23Å; V926-L928 VanDerWaalsContact C-N 3.25Å; V926-L928 PolarHBondContact O-N 3.11Å; L928-K930 VanDerWaalsContact C-N 3.34Å; L928-K930 PolarHBondContact O-N 3.25Å; L928-F931 WeakPolarHBondContact O-CB 3.25Å; L928-F931 PolarHBondContact O-N 3.16Å; L928-L932 WeakPolarHBondContact O-CB 3.38Å; L928-L932 PolarHBondContact O-N 3.17Å |
| 929 | F | 97.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.1 | -43.8 | 175.1 | -70.4 | -1.1 | 0 | 0 | 0 | 111.5 | L915 V925 V926 F931 L932 D933 V959 E962 R971 A974 A975 V978 | L915-F929 HydrophobicContact CD1-CE1 4.04Å; L915-F929 HydrophobicContact CD2-CE1 4.31Å; V925-F929 HydrophobicContact CG1-CD1 4.49Å; V925-F929 HydrophobicContact CG1-CE1 3.97Å; V925-F929 HydrophobicContact CG1-CE2 4.03Å; V925-F929 HydrophobicContact CG1-CZ 3.72Å; V925-F929 WeakPolarHBondContact O-CD1 3.26Å; V925-F929 WeakPolarHBondContact O-CG 3.45Å; V925-F929 PolarHBondContact O-N 3.2Å; V926-F929 PolarHBondContact O-N 3.32Å; F929-F931 VanDerWaalsContact C-N 3.33Å; F929-F931 PolarHBondContact O-N 2.82Å; F929-L932 PolarHBondContact O-N 3.31Å; F929-D933 WeakPolarHBondContact O-CB 3.49Å; F929-D933 PolarHBondContact O-N 3.05Å; F929-V959 HydrophobicContact CD1-CG1 4.38Å; F929-V959 HydrophobicContact CD1-CG2 4.13Å; F929-V959 HydrophobicContact CE1-CB 4.13Å; F929-V959 HydrophobicContact CE1-CG1 3.97Å; F929-V959 HydrophobicContact CE1-CG2 3.8Å; F929-V959 HydrophobicContact CE2-CG1 4.11Å; F929-V959 HydrophobicContact CZ-CB 4.25Å; F929-V959 HydrophobicContact CZ-CG1 3.81Å; F929-V959 HydrophobicContact CZ-CG2 4.42Å; F929-E962 HydrophobicContact CZ-CB 3.9Å; F929-R971 HydrophobicContact CD2-CG 4.22Å; F929-R971 HydrophobicContact CE2-CG 3.75Å; F929-A974 HydrophobicContact CB-CB 3.64Å; F929-A974 HydrophobicContact CD2-CB 4.17Å; F929-A974 HydrophobicContact CG-CB 4.45Å; F929-A975 HydrophobicContact CD2-CB 3.88Å; F929-A975 HydrophobicContact CE2-CB 3.81Å; F929-V978 HydrophobicContact CB-CG2 4.09Å; F929-V978 WeakPolarHBondContact O-CG2 3.47Å |
| 930 | K | 97.2 | Very high | 93.4 | Very high | 66 Ų | 66 | 36.3 Ų | 36.3 | 29% | 0.287 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -64.9 | -36.1 | 174.6 | -67.6 | -179.6 | 173.7 | -171.5 | 0 | 113.2 | V926 P927 L928 F934 A974 | V926-K930 PolarHBondContact O-N 2.9Å; P927-K930 PolarHBondContact O-N 2.92Å; L928-K930 VanDerWaalsContact C-N 3.34Å; L928-K930 PolarHBondContact O-N 3.25Å; K930-F934 WeakPolarHBondContact O-CB 3.39Å; K930-F934 PolarHBondContact O-N 3.48Å; K930-A974 HydrophobicContact CG-CB 4.17Å |
| 931 | F | 97.7 | Very high | 93.4 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 0% | 0.004 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.8 | -43.7 | 173.7 | -177.3 | -102.4 | 0 | 0 | 0 | 111.1 | I868 L871 I872 V875 L890 V911 P927 L928 F929 F934 L935 | I868-F931 HydrophobicContact CG2-CE1 4.17Å; I868-F931 HydrophobicContact CG2-CZ 4.45Å; L871-F931 HydrophobicContact CB-CE2 4.24Å; I872-F931 HydrophobicContact CB-CB 4.44Å; I872-F931 HydrophobicContact CB-CG 4.35Å; I872-F931 HydrophobicContact CD1-CD1 4.28Å; I872-F931 HydrophobicContact CG1-CB 3.97Å; I872-F931 HydrophobicContact CG1-CD1 3.45Å; I872-F931 VanDerWaalsContact CG1-CD1 3.45Å; I872-F931 HydrophobicContact CG1-CD2 4.17Å; I872-F931 HydrophobicContact CG1-CE1 3.89Å; I872-F931 HydrophobicContact CG1-CG 3.59Å; I872-F931 HydrophobicContact CG1-CZ 4.42Å; V875-F931 HydrophobicContact CB-CD2 3.69Å; V875-F931 HydrophobicContact CB-CE2 4.25Å; V875-F931 HydrophobicContact CG1-CD2 3.68Å; V875-F931 HydrophobicContact CG1-CE2 4.4Å; V875-F931 HydrophobicContact CG2-CD2 4.08Å; V875-F931 HydrophobicContact CG2-CE2 4.12Å; L890-F931 HydrophobicContact CD2-CE2 3.45Å; L890-F931 VanDerWaalsContact CD2-CE2 3.45Å; L890-F931 HydrophobicContact CD2-CZ 3.67Å; V911-F931 HydrophobicContact CG2-CD1 3.98Å; V911-F931 HydrophobicContact CG2-CE1 3.61Å; P927-F931 WeakPolarHBondContact O-CB 3.38Å; P927-F931 PolarHBondContact O-N 3.18Å; L928-F931 WeakPolarHBondContact O-CB 3.25Å; L928-F931 PolarHBondContact O-N 3.16Å; F929-F931 VanDerWaalsContact C-N 3.33Å; F929-F931 PolarHBondContact O-N 2.82Å; F931-F934 WeakPolarHBondContact O-CB 3.02Å; F931-F934 PolarHBondContact O-N 3.41Å; F931-L935 HydrophobicContact CD1-CD1 3.92Å; F931-L935 HydrophobicContact CD1-CG 4.2Å; F931-L935 HydrophobicContact CE1-CD1 3.52Å; F931-L935 HydrophobicContact CE1-CD2 4.31Å; F931-L935 HydrophobicContact CE1-CG 3.95Å; F931-L935 HydrophobicContact CZ-CD1 4.22Å; F931-L935 HydrophobicContact CZ-CD2 4.22Å; F931-L935 HydrophobicContact CZ-CG 4.32Å; F931-L935 WeakPolarHBondContact O-CG 3.26Å; F931-L935 PolarHBondContact O-N 2.78Å |
| 932 | L | 96.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.1 | -45.1 | 176.8 | -179.6 | 57.9 | 0 | 0 | 0 | 110.9 | L908 L928 F929 F934 L935 L936 L955 V959 V978 | L908-L932 HydrophobicContact CD2-CD1 4.48Å; L928-L932 WeakPolarHBondContact O-CB 3.38Å; L928-L932 PolarHBondContact O-N 3.17Å; F929-L932 PolarHBondContact O-N 3.31Å; L932-F934 VanDerWaalsContact C-N 3.34Å; L932-F934 PolarHBondContact O-N 3.16Å; L932-L935 WeakPolarHBondContact O-CB 3.4Å; L932-L935 PolarHBondContact O-N 2.96Å; L932-L935 VanDerWaalsContact O-N 3.11Å; L932-L936 HydrophobicContact CD1-CD2 4.42Å; L932-L936 HydrophobicContact CD1-CG 4.27Å; L932-L936 HydrophobicContact CG-CD1 4.27Å; L932-L936 HydrophobicContact CG-CG 4.43Å; L932-L936 VanDerWaalsContact O-CG 3.26Å; L932-L936 WeakPolarHBondContact O-CG 3.32Å; L932-L936 PolarHBondContact O-N 2.83Å; L932-L955 HydrophobicContact CD1-CD1 4.12Å; L932-L955 HydrophobicContact CD2-CB 4.47Å; L932-V959 HydrophobicContact CD2-CG2 3.85Å; L932-V978 HydrophobicContact CB-CG2 4.16Å; L932-V978 HydrophobicContact CD2-CG1 3.65Å; L932-V978 HydrophobicContact CD2-CG2 4.27Å; L932-V978 HydrophobicContact CG-CG1 4.08Å; L932-V978 HydrophobicContact CG-CG2 4.26Å |
| 933 | D | 96.4 | Very high | 93.4 | Very high | 36 Ų | 36 | 26.2 Ų | 26.2 | 19% | 0.193 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -56.2 | -46.4 | 173.1 | 175.1 | 59.3 | 0 | 0 | 0 | 112 | F929 L935 L936 N937 D977 V978 | F929-D933 WeakPolarHBondContact O-CB 3.49Å; F929-D933 PolarHBondContact O-N 3.05Å; D933-L935 VanDerWaalsContact C-N 3.34Å; D933-L935 PolarHBondContact O-N 2.78Å; D933-L936 PolarHBondContact O-N 3.16Å; D933-N937 PolarHBondContact O-N 3.07Å; D933-N937 PolarHBondContact O-ND2 2.86Å; D933-N937 PolarHBondContact OD1-ND2 3.26Å; D933-D977 HydrophobicContact CB-CB 4.31Å; D933-V978 HydrophobicContact CB-CG2 4.13Å |
| 934 | F | 96.1 | Very high | 93.3 | Very high | 35 Ų | 35 | 25.6 Ų | 25.6 | 15% | 0.154 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -55.3 | -46.8 | 172 | 161 | -97.6 | 0 | 0 | 0 | 112.4 | V875 T887 L890 S891 F894 K930 F931 L932 L936 N937 D938 | V875-F934 HydrophobicContact CG1-CB 4.05Å; V875-F934 HydrophobicContact CG1-CD1 3.94Å; V875-F934 HydrophobicContact CG1-CG 3.93Å; T887-F934 HydrophobicContact CG2-CD2 3.69Å; T887-F934 HydrophobicContact CG2-CE2 3.7Å; T887-F934 HydrophobicContact CG2-CG 4.21Å; T887-F934 HydrophobicContact CG2-CZ 4.23Å; L890-F934 HydrophobicContact CB-CE1 4.37Å; L890-F934 HydrophobicContact CB-CZ 4.4Å; L890-F934 HydrophobicContact CD2-CD1 4.49Å; L890-F934 HydrophobicContact CD2-CE1 3.68Å; L890-F934 HydrophobicContact CD2-CZ 4.49Å; L890-F934 HydrophobicContact CG-CE1 4.11Å; S891-F934 WeakPolarHBondContact OG-CZ 3.07Å; F894-F934 HydrophobicContact CE2-CE1 4.47Å; K930-F934 WeakPolarHBondContact O-CB 3.39Å; K930-F934 PolarHBondContact O-N 3.48Å; F931-F934 WeakPolarHBondContact O-CB 3.02Å; F931-F934 PolarHBondContact O-N 3.41Å; L932-F934 VanDerWaalsContact C-N 3.34Å; L932-F934 PolarHBondContact O-N 3.16Å; F934-L936 PolarHBondContact O-N 2.93Å; F934-N937 PolarHBondContact O-N 3.01Å; F934-D938 PolarHBondContact O-N 3.28Å; F934-D938 VanDerWaalsContact O-N 3.09Å |
| 935 | L | 95.4 | Very high | 92.8 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.1 | -41.3 | 178.1 | -69.2 | -175.4 | 0 | 0 | 0 | 112.1 | L890 F894 V907 L908 V911 F931 L932 D933 N937 D938 V941 | L890-L935 HydrophobicContact CD2-CD2 4.44Å; F894-L935 HydrophobicContact CE2-CD2 3.39Å; F894-L935 HydrophobicContact CZ-CD2 3.61Å; V907-L935 HydrophobicContact CG1-CD1 4.38Å; L908-L935 HydrophobicContact CD2-CD1 3.97Å; V911-L935 HydrophobicContact CG2-CD1 4.05Å; F931-L935 HydrophobicContact CD1-CD1 3.92Å; F931-L935 HydrophobicContact CD1-CG 4.2Å; F931-L935 HydrophobicContact CE1-CD1 3.52Å; F931-L935 HydrophobicContact CE1-CD2 4.31Å; F931-L935 HydrophobicContact CE1-CG 3.95Å; F931-L935 HydrophobicContact CZ-CD1 4.22Å; F931-L935 HydrophobicContact CZ-CD2 4.22Å; F931-L935 HydrophobicContact CZ-CG 4.32Å; F931-L935 WeakPolarHBondContact O-CG 3.26Å; F931-L935 PolarHBondContact O-N 2.78Å; L932-L935 WeakPolarHBondContact O-CB 3.4Å; L932-L935 PolarHBondContact O-N 2.96Å; L932-L935 VanDerWaalsContact O-N 3.11Å; D933-L935 VanDerWaalsContact C-N 3.34Å; D933-L935 PolarHBondContact O-N 2.78Å; L935-N937 VanDerWaalsContact C-N 3.27Å; L935-N937 PolarHBondContact O-N 3.46Å; L935-D938 PolarHBondContact O-N 3.25Å; L935-V941 HydrophobicContact CB-CG1 4.44Å; L935-V941 WeakPolarHBondContact O-CB 3.44Å; L935-V941 WeakPolarHBondContact O-CG1 3.22Å |
| 936 | L | 93.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.2 | -32.5 | 179.7 | -63.7 | 172.6 | 0 | 0 | 0 | 111.8 | L932 D933 F934 L952 V978 M982 Q984 F985 | L932-L936 HydrophobicContact CD1-CD2 4.42Å; L932-L936 HydrophobicContact CD1-CG 4.27Å; L932-L936 HydrophobicContact CG-CD1 4.27Å; L932-L936 HydrophobicContact CG-CG 4.43Å; L932-L936 VanDerWaalsContact O-CG 3.26Å; L932-L936 WeakPolarHBondContact O-CG 3.32Å; L932-L936 PolarHBondContact O-N 2.83Å; D933-L936 PolarHBondContact O-N 3.16Å; F934-L936 PolarHBondContact O-N 2.93Å; L936-L952 HydrophobicContact CD2-CD2 4.12Å; L936-V978 HydrophobicContact CD1-CG1 4.1Å; L936-M982 HydrophobicContact CD1-CE 3.92Å; L936-M982 HydrophobicContact CD1-CG 3.9Å; L936-M982 HydrophobicContact CD1-SD 4.02Å; L936-M982 HydrophobicContact CD2-CE 3.96Å; L936-M982 HydrophobicContact CD2-SD 3.95Å; L936-Q984 PolarHBondContact O-NE2 3.46Å; L936-F985 HydrophobicContact CD2-CE2 3.9Å; L936-F985 HydrophobicContact CD2-CZ 4.43Å |
| 937 | N | 92.1 | Very high | 91.4 | Very high | 80 Ų | 80 | 31 Ų | 31 | 43% | 0.428 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -89.4 | -3.4 | 179.7 | -67.4 | -50.4 | 0 | 0 | 0 | 113.7 | D933 F934 L935 | D933-N937 PolarHBondContact O-N 3.07Å; D933-N937 PolarHBondContact O-ND2 2.86Å; D933-N937 PolarHBondContact OD1-ND2 3.26Å; F934-N937 PolarHBondContact O-N 3.01Å; L935-N937 VanDerWaalsContact C-N 3.27Å; L935-N937 PolarHBondContact O-N 3.46Å |
| 938 | D | 92.8 | Very high | 90.5 | Very high | 9 Ų | 9 | 36.1 Ų | 36.1 | 5% | 0.048 | 20% | 0.203 | C | C | . | . | trans | -74 | 124.6 | 173.8 | -173.4 | -74.5 | 0 | 0 | 0 | 110.2 | S891 F934 L935 I940 V941 N942 | S891-D938 WeakPolarHBondContact CB-OD2 3.38Å; S891-D938 PolarHBondContact OG-OD2 2.8Å; F934-D938 PolarHBondContact O-N 3.28Å; F934-D938 VanDerWaalsContact O-N 3.09Å; L935-D938 PolarHBondContact O-N 3.25Å; D938-I940 PolarHBondContact O-N 2.88Å; D938-I940 WeakPolarHBondContact OD1-CB 3.31Å; D938-I940 PolarHBondContact OD1-N 3.05Å; D938-V941 HydrophobicContact CB-CB 4.1Å; D938-V941 HydrophobicContact CB-CG2 3.95Å; D938-V941 PolarHBondContact O-N 3.41Å; D938-V941 PolarHBondContact OD1-N 3.43Å; D938-N942 VanDerWaalsContact O-CB 3.28Å; D938-N942 WeakPolarHBondContact O-CB 3.25Å; D938-N942 PolarHBondContact O-N 3Å | ||
| 939 | P | 90.8 | Very high | 89.7 | Confident | 97 Ų | 97 | 37.6 Ų | 37.6 | 63% | 0.63 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -58.5 | -32.1 | -175.4 | -26.2 | 34.5 | 0 | 0 | 0 | 114.6 | S943 | P939-S943 VanDerWaalsContact O-CB 3.31Å; P939-S943 WeakPolarHBondContact O-CB 3.4Å; P939-S943 PolarHBondContact O-N 3Å; P939-S943 VanDerWaalsContact O-N 3.08Å; P939-S943 PolarHBondContact O-OG 3.38Å |
| 940 | I | 90.3 | Very high | 89.3 | Confident | 19 Ų | 19 | 41.1 Ų | 41.1 | 10% | 0.097 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -76.4 | -46.5 | -178.6 | -56.9 | -56.1 | 0 | 0 | 0 | 109.8 | F894 L895 E898 I904 D938 N942 S943 T944 | F894-I940 HydrophobicContact CB-CB 4.4Å; F894-I940 HydrophobicContact CB-CG2 4.36Å; L895-I940 HydrophobicContact CD1-CD1 3.94Å; L895-I940 HydrophobicContact CD1-CG1 4.37Å; E898-I940 HydrophobicContact CB-CD1 4.23Å; E898-I940 HydrophobicContact CB-CG2 3.87Å; E898-I940 HydrophobicContact CG-CD1 3.93Å; E898-I940 HydrophobicContact CG-CG2 4.04Å; I904-I940 HydrophobicContact CD1-CG2 3.88Å; D938-I940 PolarHBondContact O-N 2.88Å; D938-I940 WeakPolarHBondContact OD1-CB 3.31Å; D938-I940 PolarHBondContact OD1-N 3.05Å; I940-N942 VanDerWaalsContact C-N 3.34Å; I940-N942 PolarHBondContact O-N 2.96Å; I940-S943 PolarHBondContact O-N 3.19Å; I940-S943 PolarHBondContact O-OG 3.36Å; I940-T944 VanDerWaalsContact O-CB 3.26Å; I940-T944 WeakPolarHBondContact O-CB 3.25Å; I940-T944 PolarHBondContact O-N 3.26Å; I940-T944 VanDerWaalsContact O-N 3.12Å; I940-T944 PolarHBondContact O-OG1 3.04Å |
| 941 | V | 86.7 | Confident | 89 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.4 | -46.2 | 176.9 | 177.6 | 0 | 0 | 0 | 0 | 110.2 | F894 I904 L935 D938 T944 I945 | F894-V941 HydrophobicContact CD2-CG2 3.8Å; F894-V941 HydrophobicContact CE2-CG2 3.87Å; F894-V941 HydrophobicContact CG-CG2 4.24Å; F894-V941 HydrophobicContact CZ-CG2 4.38Å; I904-V941 HydrophobicContact CG2-CB 4.43Å; I904-V941 HydrophobicContact CG2-CG1 4.11Å; I904-V941 HydrophobicContact CG2-CG2 4.32Å; L935-V941 HydrophobicContact CB-CG1 4.44Å; L935-V941 WeakPolarHBondContact O-CB 3.44Å; L935-V941 WeakPolarHBondContact O-CG1 3.22Å; D938-V941 HydrophobicContact CB-CB 4.1Å; D938-V941 HydrophobicContact CB-CG2 3.95Å; D938-V941 PolarHBondContact O-N 3.41Å; D938-V941 PolarHBondContact OD1-N 3.43Å; V941-T944 PolarHBondContact O-N 3.26Å; V941-I945 HydrophobicContact CG1-CD1 3.51Å; V941-I945 HydrophobicContact CG1-CG1 4.31Å; V941-I945 VanDerWaalsContact O-CD1 3.31Å; V941-I945 WeakPolarHBondContact O-CD1 3.38Å; V941-I945 WeakPolarHBondContact O-CG1 3.45Å; V941-I945 PolarHBondContact O-N 3.38Å |
| 942 | N | 86.5 | Confident | 88.7 | Confident | 57 Ų | 57 | 38.5 Ų | 38.5 | 31% | 0.305 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.1 | -48.5 | 178.3 | -176.9 | 21.5 | 0 | 0 | 0 | 113.2 | D938 I940 T944 Q984 F985 | D938-N942 VanDerWaalsContact O-CB 3.28Å; D938-N942 WeakPolarHBondContact O-CB 3.25Å; D938-N942 PolarHBondContact O-N 3Å; I940-N942 VanDerWaalsContact C-N 3.34Å; I940-N942 PolarHBondContact O-N 2.96Å; N942-T944 PolarHBondContact O-N 2.82Å; N942-Q984 PolarHBondContact ND2-OE1 3.27Å; N942-Q984 PolarHBondContact OD1-OE1 2.63Å; N942-F985 WeakPolarHBondContact OD1-CE1 3.35Å |
| 943 | S | 86 | Confident | 88.5 | Confident | 83 Ų | 83 | 41.1 Ų | 41.1 | 58% | 0.58 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -67.2 | -22.7 | 180 | 58.2 | 0 | 0 | 0 | 0 | 113.8 | P939 I940 | P939-S943 VanDerWaalsContact O-CB 3.31Å; P939-S943 WeakPolarHBondContact O-CB 3.4Å; P939-S943 PolarHBondContact O-N 3Å; P939-S943 VanDerWaalsContact O-N 3.08Å; P939-S943 PolarHBondContact O-OG 3.38Å; I940-S943 PolarHBondContact O-N 3.19Å; I940-S943 PolarHBondContact O-OG 3.36Å |
| 944 | T | 84.5 | Confident | 88.4 | Confident | 14 Ų | 14 | 44.7 Ų | 44.7 | 9% | 0.086 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -89.2 | -32.2 | -176.3 | -60.7 | 0 | 0 | 0 | 0 | 113.8 | Q901 I904 I940 V941 N942 D946 | Q901-T944 HydrophobicContact CB-CG2 3.62Å; Q901-T944 HydrophobicContact CG-CG2 3.6Å; I904-T944 HydrophobicContact CB-CG2 4.09Å; I904-T944 HydrophobicContact CD1-CG2 3.79Å; I904-T944 HydrophobicContact CG1-CG2 4.48Å; I904-T944 HydrophobicContact CG2-CG2 4.24Å; I940-T944 VanDerWaalsContact O-CB 3.26Å; I940-T944 WeakPolarHBondContact O-CB 3.25Å; I940-T944 PolarHBondContact O-N 3.26Å; I940-T944 VanDerWaalsContact O-N 3.12Å; I940-T944 PolarHBondContact O-OG1 3.04Å; V941-T944 PolarHBondContact O-N 3.26Å; N942-T944 PolarHBondContact O-N 2.82Å; T944-D946 PolarHBondContact O-N 3.16Å |
| 945 | I | 84.2 | Confident | 88.4 | Confident | 6 Ų | 6 | 43.1 Ų | 43.1 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -74.5 | 122.5 | -175.3 | -63.2 | 157.6 | 0 | 0 | 0 | 110.6 | L908 V941 P947 L952 F985 | L908-I945 HydrophobicContact CD1-CD1 3.58Å; L908-I945 HydrophobicContact CD1-CG1 3.72Å; V941-I945 HydrophobicContact CG1-CD1 3.51Å; V941-I945 HydrophobicContact CG1-CG1 4.31Å; V941-I945 VanDerWaalsContact O-CD1 3.31Å; V941-I945 WeakPolarHBondContact O-CD1 3.38Å; V941-I945 WeakPolarHBondContact O-CG1 3.45Å; V941-I945 PolarHBondContact O-N 3.38Å; I945-P947 VanDerWaalsContact O-CD 3.29Å; I945-P947 WeakPolarHBondContact O-CD 3.02Å; I945-L952 HydrophobicContact CD1-CD2 4.37Å; I945-L952 HydrophobicContact CG2-CD1 3.6Å; I945-L952 HydrophobicContact CG2-CD2 4.19Å; I945-L952 HydrophobicContact CG2-CG 3.85Å; I945-F985 HydrophobicContact CB-CE1 4.16Å; I945-F985 HydrophobicContact CD1-CZ 4.22Å; I945-F985 HydrophobicContact CG2-CE1 4.31Å |
| 946 | D | 82.7 | Confident | 88.4 | Confident | 86 Ų | 86 | 43.1 Ų | 43.1 | 46% | 0.46 | 25% | 0.249 | S | C | . | . | trans | -60.5 | 121.2 | 166.8 | 175.6 | 11.7 | 0 | 0 | 0 | 109.9 | T944 N948 S949 | T944-D946 PolarHBondContact O-N 3.16Å; D946-N948 PolarHBondContact O-N 3.47Å; D946-N948 VanDerWaalsContact O-N 3.08Å; D946-N948 WeakPolarHBondContact OD1-CB 3.49Å; D946-N948 PolarHBondContact OD1-N 3.15Å; D946-N948 PolarHBondContact OD1-ND2 2.91Å; D946-S949 WeakPolarHBondContact O-CB 3.45Å; D946-S949 PolarHBondContact O-N 3.4Å | ||
| 947 | P | 77.9 | Confident | 88.5 | Confident | 42 Ų | 42 | 46.1 Ų | 46.1 | 27% | 0.273 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -23.9 | 175.6 | -24.7 | 34.1 | 0 | 0 | 0 | 114 | I945 S949 F985 | I945-P947 VanDerWaalsContact O-CD 3.29Å; I945-P947 WeakPolarHBondContact O-CD 3.02Å; P947-S949 VanDerWaalsContact C-N 3.34Å; P947-F985 HydrophobicContact CB-CB 4.42Å |
| 948 | N | 77.2 | Confident | 88.6 | Confident | 125 Ų | 125 | 44.1 Ų | 44.1 | 67% | 0.668 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -0.6 | 176.4 | -58.8 | -60.8 | 0 | 0 | 0 | 113.5 | D946 S950 | D946-N948 PolarHBondContact O-N 3.47Å; D946-N948 VanDerWaalsContact O-N 3.08Å; D946-N948 WeakPolarHBondContact OD1-CB 3.49Å; D946-N948 PolarHBondContact OD1-N 3.15Å; D946-N948 PolarHBondContact OD1-ND2 2.91Å; N948-S950 PolarHBondContact O-N 3Å |
| 949 | S | 81.7 | Confident | 88.8 | Confident | 30 Ų | 30 | 43.7 Ų | 43.7 | 21% | 0.21 | 25% | 0.253 | C | S | . | . | trans | -62.2 | 129.1 | 179.3 | -175.6 | 0 | 0 | 0 | 0 | 111.1 | D946 P947 I951 L952 | D946-S949 WeakPolarHBondContact O-CB 3.45Å; D946-S949 PolarHBondContact O-N 3.4Å; P947-S949 VanDerWaalsContact C-N 3.34Å; S949-I951 PolarHBondContact O-N 2.97Å; S949-I951 VanDerWaalsContact O-N 3.08Å; S949-I951 WeakPolarHBondContact OG-CG2 3.37Å; S949-L952 PolarHBondContact O-N 3.41Å | ||
| 950 | S | 88.4 | Confident | 89.1 | Confident | 75 Ų | 75 | 40.9 Ų | 40.9 | 52% | 0.524 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.6 | -17.8 | 178 | 60.7 | 0 | 0 | 0 | 0 | 113.2 | N948 L953 Q954 | N948-S950 PolarHBondContact O-N 3Å; S950-L953 PolarHBondContact O-N 3.43Å; S950-Q954 VanDerWaalsContact O-CG 3.31Å; S950-Q954 WeakPolarHBondContact O-CG 3.39Å; S950-Q954 PolarHBondContact O-N 3.44Å |
| 951 | I | 90.8 | Very high | 89.3 | Confident | 12 Ų | 12 | 43.6 Ų | 43.6 | 6% | 0.062 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.2 | -42.1 | -177.6 | -162.5 | 67.4 | 0 | 0 | 0 | 112 | L908 K909 S949 L953 Q954 L955 | L908-I951 HydrophobicContact CB-CG1 4.11Å; L908-I951 HydrophobicContact CD1-CG2 4.42Å; K909-I951 HydrophobicContact CB-CD1 4.44Å; K909-I951 HydrophobicContact CG-CD1 3.64Å; S949-I951 PolarHBondContact O-N 2.97Å; S949-I951 VanDerWaalsContact O-N 3.08Å; S949-I951 WeakPolarHBondContact OG-CG2 3.37Å; I951-L953 VanDerWaalsContact C-N 3.35Å; I951-L953 PolarHBondContact O-N 3.06Å; I951-Q954 PolarHBondContact O-N 3.25Å; I951-L955 HydrophobicContact CG1-CD1 4.32Å; I951-L955 WeakPolarHBondContact O-CG 3.37Å; I951-L955 PolarHBondContact O-N 2.85Å |
| 952 | L | 92.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.8 | -39.1 | -178.5 | -68.9 | -177.6 | 0 | 0 | 0 | 111.3 | L936 I945 S949 L955 T956 M982 F985 V989 | L936-L952 HydrophobicContact CD2-CD2 4.12Å; I945-L952 HydrophobicContact CD1-CD2 4.37Å; I945-L952 HydrophobicContact CG2-CD1 3.6Å; I945-L952 HydrophobicContact CG2-CD2 4.19Å; I945-L952 HydrophobicContact CG2-CG 3.85Å; S949-L952 PolarHBondContact O-N 3.41Å; L952-L955 PolarHBondContact O-N 2.76Å; L952-T956 WeakPolarHBondContact O-CB 3.15Å; L952-T956 PolarHBondContact O-N 2.95Å; L952-T956 PolarHBondContact O-OG1 2.75Å; L952-M982 HydrophobicContact CB-SD 4.29Å; L952-M982 HydrophobicContact CD2-CE 4.09Å; L952-M982 HydrophobicContact CD2-SD 4Å; L952-F985 HydrophobicContact CD1-CB 4.12Å; L952-F985 HydrophobicContact CD1-CD1 3.7Å; L952-F985 HydrophobicContact CD1-CD2 3.72Å; L952-F985 HydrophobicContact CD1-CE1 4.03Å; L952-F985 HydrophobicContact CD1-CE2 4.05Å; L952-F985 HydrophobicContact CD1-CG 3.54Å; L952-F985 HydrophobicContact CD1-CZ 4.2Å; L952-V989 HydrophobicContact CB-CG1 4.22Å; L952-V989 HydrophobicContact CB-CG2 3.73Å; L952-V989 HydrophobicContact CD1-CG2 4.35Å |
| 953 | L | 92.8 | Very high | 90 | Very high | 55 Ų | 55 | 42.2 Ų | 42.2 | 29% | 0.288 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.5 | -42.7 | 173 | -75.6 | 175.9 | 0 | 0 | 0 | 111.7 | S950 I951 T956 E957 V989 R992 | S950-L953 PolarHBondContact O-N 3.43Å; I951-L953 VanDerWaalsContact C-N 3.35Å; I951-L953 PolarHBondContact O-N 3.06Å; L953-T956 PolarHBondContact O-N 3.34Å; L953-E957 WeakPolarHBondContact O-CG 3.12Å; L953-E957 PolarHBondContact O-N 2.91Å; L953-V989 HydrophobicContact CD2-CG2 3.96Å; L953-V989 HydrophobicContact CG-CG2 3.87Å; L953-R992 HydrophobicContact CD2-CB 4.34Å |
| 954 | Q | 94.2 | Very high | 90.2 | Very high | 111 Ų | 111 | 43.1 Ų | 43.1 | 52% | 0.519 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.3 | -40.6 | 177 | -73.3 | 173.8 | 2 | 0 | 0 | 112.4 | S950 I951 S958 | S950-Q954 VanDerWaalsContact O-CG 3.31Å; S950-Q954 WeakPolarHBondContact O-CG 3.39Å; S950-Q954 PolarHBondContact O-N 3.44Å; I951-Q954 PolarHBondContact O-N 3.25Å; Q954-S958 WeakPolarHBondContact O-CB 3.31Å; Q954-S958 PolarHBondContact O-N 3.43Å; Q954-S958 PolarHBondContact O-OG 3.05Å |
| 955 | L | 95.2 | Very high | 90.3 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.1 | -44.8 | 174.5 | -71.7 | 171.8 | 0 | 0 | 0 | 110.9 | L908 L932 I951 L952 E957 S958 V959 M982 | L908-L955 HydrophobicContact CB-CD1 4.39Å; L908-L955 HydrophobicContact CD2-CD1 4.32Å; L932-L955 HydrophobicContact CD1-CD1 4.12Å; L932-L955 HydrophobicContact CD2-CB 4.47Å; I951-L955 HydrophobicContact CG1-CD1 4.32Å; I951-L955 WeakPolarHBondContact O-CG 3.37Å; I951-L955 PolarHBondContact O-N 2.85Å; L952-L955 PolarHBondContact O-N 2.76Å; L955-E957 VanDerWaalsContact C-N 3.34Å; L955-E957 PolarHBondContact O-N 3.49Å; L955-S958 PolarHBondContact O-N 2.83Å; L955-S958 VanDerWaalsContact O-N 3.13Å; L955-V959 WeakPolarHBondContact O-CB 3.46Å; L955-V959 VanDerWaalsContact O-CG2 3.25Å; L955-V959 WeakPolarHBondContact O-CG2 3.37Å; L955-V959 PolarHBondContact O-N 3.39Å; L955-M982 HydrophobicContact CB-CE 4.14Å |
| 956 | T | 95.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.3 | -46 | 176.4 | -59.5 | 0 | 0 | 0 | 0 | 111.4 | L952 L953 W960 F979 R992 L996 | L952-T956 WeakPolarHBondContact O-CB 3.15Å; L952-T956 PolarHBondContact O-N 2.95Å; L952-T956 PolarHBondContact O-OG1 2.75Å; L953-T956 PolarHBondContact O-N 3.34Å; T956-W960 WeakPolarHBondContact O-CB 3.45Å; T956-W960 PolarHBondContact O-N 2.82Å; T956-F979 HydrophobicContact CG2-CD1 4.28Å; T956-F979 HydrophobicContact CG2-CE1 4.03Å; T956-R992 HydrophobicContact CG2-CG 3.98Å; T956-L996 HydrophobicContact CG2-CD1 3.7Å |
| 957 | E | 95.9 | Very high | 91 | Very high | 64 Ų | 64 | 54 Ų | 54 | 30% | 0.299 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67 | -37.8 | 175.9 | -70 | -54.2 | 138.7 | 0 | 0 | 112.6 | L953 L955 W960 N961 R992 | L953-E957 WeakPolarHBondContact O-CG 3.12Å; L953-E957 PolarHBondContact O-N 2.91Å; L955-E957 VanDerWaalsContact C-N 3.34Å; L955-E957 PolarHBondContact O-N 3.49Å; E957-W960 PolarHBondContact O-N 2.91Å; E957-N961 WeakPolarHBondContact O-CB 3.3Å; E957-N961 PolarHBondContact O-N 3.21Å; E957-N961 PolarHBondContact O-ND2 2.93Å; E957-R992 IonicContact OE1-CZ 2.99Å; E957-R992 IonicContact OE1-NE 3.29Å; E957-R992 PolarHBondContact OE1-NE 3.12Å; E957-R992 IonicContact OE1-NH2 3.35Å; E957-R992 PolarHBondContact OE1-NH2 3.28Å; E957-R992 IonicContact OE2-NH2 2.87Å; E957-R992 PolarHBondContact OE2-NH2 3.29Å |
| 958 | S | 95.3 | Very high | 91.6 | Very high | 38 Ų | 38 | 53.6 Ų | 53.6 | 27% | 0.266 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.5 | -45.6 | 177.6 | -60.8 | 0 | 0 | 0 | 0 | 111.6 | Q954 L955 W960 N961 E962 | Q954-S958 WeakPolarHBondContact O-CB 3.31Å; Q954-S958 PolarHBondContact O-N 3.43Å; Q954-S958 PolarHBondContact O-OG 3.05Å; L955-S958 PolarHBondContact O-N 2.83Å; L955-S958 VanDerWaalsContact O-N 3.13Å; S958-W960 VanDerWaalsContact C-N 3.34Å; S958-W960 PolarHBondContact O-N 3.47Å; S958-N961 PolarHBondContact O-N 3.18Å; S958-E962 PolarHBondContact O-N 3.42Å |
| 959 | V | 96.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 174.9 | 173.1 | 0 | 0 | 0 | 0 | 110.4 | L915 F929 L932 L955 N961 E962 T963 A975 V978 F979 | L915-V959 HydrophobicContact CD2-CG2 4.15Å; F929-V959 HydrophobicContact CD1-CG1 4.38Å; F929-V959 HydrophobicContact CD1-CG2 4.13Å; F929-V959 HydrophobicContact CE1-CB 4.13Å; F929-V959 HydrophobicContact CE1-CG1 3.97Å; F929-V959 HydrophobicContact CE1-CG2 3.8Å; F929-V959 HydrophobicContact CE2-CG1 4.11Å; F929-V959 HydrophobicContact CZ-CB 4.25Å; F929-V959 HydrophobicContact CZ-CG1 3.81Å; F929-V959 HydrophobicContact CZ-CG2 4.42Å; L932-V959 HydrophobicContact CD2-CG2 3.85Å; L955-V959 WeakPolarHBondContact O-CB 3.46Å; L955-V959 VanDerWaalsContact O-CG2 3.25Å; L955-V959 WeakPolarHBondContact O-CG2 3.37Å; L955-V959 PolarHBondContact O-N 3.39Å; V959-N961 PolarHBondContact O-N 2.94Å; V959-E962 PolarHBondContact O-N 3.27Å; V959-T963 WeakPolarHBondContact O-CB 3.45Å; V959-T963 PolarHBondContact O-N 3.3Å; V959-T963 VanDerWaalsContact O-N 3.11Å; V959-T963 PolarHBondContact O-OG1 3.25Å; V959-A975 HydrophobicContact CG1-CB 3.92Å; V959-V978 HydrophobicContact CG1-CG1 4.31Å; V959-V978 HydrophobicContact CG2-CG1 4.17Å; V959-F979 HydrophobicContact CB-CE1 4.28Å; V959-F979 HydrophobicContact CB-CZ 4.37Å; V959-F979 HydrophobicContact CG1-CE1 3.89Å; V959-F979 HydrophobicContact CG1-CE2 4.42Å; V959-F979 HydrophobicContact CG1-CZ 3.71Å |
| 960 | W | 96.6 | Very high | 92.8 | Very high | 38 Ų | 38 | 53.5 Ų | 53.5 | 14% | 0.144 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.6 | -40.9 | 175.7 | -179.9 | -123.1 | 0 | 0 | 0 | 112.6 | T956 E957 S958 E962 T963 K964 F979 L996 I999 I1000 | T956-W960 WeakPolarHBondContact O-CB 3.45Å; T956-W960 PolarHBondContact O-N 2.82Å; E957-W960 PolarHBondContact O-N 2.91Å; S958-W960 VanDerWaalsContact C-N 3.34Å; S958-W960 PolarHBondContact O-N 3.47Å; W960-E962 VanDerWaalsContact C-N 3.29Å; W960-E962 PolarHBondContact O-N 2.89Å; W960-T963 PolarHBondContact O-N 3.26Å; W960-T963 VanDerWaalsContact O-N 3.09Å; W960-K964 HydrophobicContact CD2-CB 3.96Å; W960-K964 HydrophobicContact CE3-CB 4.3Å; W960-K964 HydrophobicContact CH2-CB 3.94Å; W960-K964 HydrophobicContact CZ2-CB 3.58Å; W960-K964 HydrophobicContact CZ3-CB 4.29Å; W960-K964 WeakPolarHBondContact O-CB 3.27Å; W960-K964 WeakPolarHBondContact O-CG 3.28Å; W960-K964 PolarHBondContact O-N 2.69Å; W960-F979 HydrophobicContact CB-CZ 4.26Å; W960-F979 HydrophobicContact CE3-CE2 4.39Å; W960-F979 HydrophobicContact CE3-CZ 4.25Å; W960-L996 HydrophobicContact CB-CD1 3.91Å; W960-L996 HydrophobicContact CB-CD2 4.43Å; W960-L996 HydrophobicContact CD2-CD1 4.36Å; W960-L996 HydrophobicContact CD2-CD2 3.5Å; W960-L996 VanDerWaalsContact CD2-CD2 3.5Å; W960-L996 HydrophobicContact CD2-CG 4.46Å; W960-L996 HydrophobicContact CE3-CD1 4.5Å; W960-L996 HydrophobicContact CE3-CD2 3.89Å; W960-L996 HydrophobicContact CG-CD1 4.11Å; W960-L996 HydrophobicContact CG-CD2 3.73Å; W960-L996 HydrophobicContact CZ2-CD2 4.22Å; W960-L996 HydrophobicContact CZ3-CD2 4.4Å; W960-I999 HydrophobicContact CH2-CB 4.33Å; W960-I999 HydrophobicContact CH2-CD1 4.42Å; W960-I999 HydrophobicContact CH2-CG2 3.75Å; W960-I999 HydrophobicContact CZ2-CD1 4.17Å; W960-I999 HydrophobicContact CZ2-CG2 4.3Å; W960-I1000 HydrophobicContact CZ3-CD1 4.36Å; W960-I1000 HydrophobicContact CZ3-CG1 4.16Å |
| 961 | N | 94.5 | Very high | 93.1 | Very high | 75 Ų | 75 | 51 Ų | 51 | 40% | 0.401 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.4 | -35.6 | 179.4 | -77.8 | -39.8 | 0 | 0 | 0 | 112.9 | E957 S958 V959 K964 | E957-N961 WeakPolarHBondContact O-CB 3.3Å; E957-N961 PolarHBondContact O-N 3.21Å; E957-N961 PolarHBondContact O-ND2 2.93Å; S958-N961 PolarHBondContact O-N 3.18Å; V959-N961 PolarHBondContact O-N 2.94Å; N961-K964 PolarHBondContact OD1-NZ 3.25Å |
| 962 | E | 93.7 | Very high | 93.4 | Very high | 23 Ų | 23 | 51 Ų | 51 | 11% | 0.107 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -81.8 | -13.3 | 175.7 | -68.6 | -57.5 | 125.6 | 0 | 0 | 113.5 | L915 R919 Q920 V925 F929 S958 V959 W960 | L915-E962 HydrophobicContact CD1-CG 4.1Å; R919-E962 WeakPolarHBondContact CB-OE1 3.47Å; R919-E962 WeakPolarHBondContact CG-OE1 3.26Å; Q920-E962 PolarHBondContact N-OE2 2.86Å; V925-E962 HydrophobicContact CG1-CB 4.28Å; F929-E962 HydrophobicContact CZ-CB 3.9Å; S958-E962 PolarHBondContact O-N 3.42Å; V959-E962 PolarHBondContact O-N 3.27Å; W960-E962 VanDerWaalsContact C-N 3.29Å; W960-E962 PolarHBondContact O-N 2.89Å |
| 963 | T | 93.7 | Very high | 93.5 | Very high | 7 Ų | 7 | 54.3 Ų | 54.3 | 4% | 0.043 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -101.9 | -38.7 | -177.2 | -55.9 | 0 | 0 | 0 | 0 | 113.1 | V959 W960 L965 T966 I972 A975 | V959-T963 WeakPolarHBondContact O-CB 3.45Å; V959-T963 PolarHBondContact O-N 3.3Å; V959-T963 VanDerWaalsContact O-N 3.11Å; V959-T963 PolarHBondContact O-OG1 3.25Å; W960-T963 PolarHBondContact O-N 3.26Å; W960-T963 VanDerWaalsContact O-N 3.09Å; T963-L965 VanDerWaalsContact C-N 3.26Å; T963-L965 PolarHBondContact O-N 2.98Å; T963-T966 VanDerWaalsContact O-CG2 3.3Å; T963-T966 WeakPolarHBondContact O-CG2 3.39Å; T963-T966 PolarHBondContact O-N 2.93Å; T963-T966 VanDerWaalsContact O-N 3.11Å; T963-I972 HydrophobicContact CG2-CB 4.48Å; T963-I972 HydrophobicContact CG2-CG1 4.1Å; T963-I972 HydrophobicContact CG2-CG2 4.41Å; T963-A975 HydrophobicContact CG2-CB 3.82Å; T963-A975 VanDerWaalsContact OG1-CB 3.28Å; T963-A975 WeakPolarHBondContact OG1-CB 3.44Å |
| 964 | K | 90.5 | Very high | 93.7 | Very high | 103 Ų | 103 | 51.8 Ų | 51.8 | 45% | 0.448 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -27.2 | -167.1 | 63.9 | -179.7 | -176.3 | -163.3 | 0 | 116.2 | W960 N961 | W960-K964 HydrophobicContact CD2-CB 3.96Å; W960-K964 HydrophobicContact CE3-CB 4.3Å; W960-K964 HydrophobicContact CH2-CB 3.94Å; W960-K964 HydrophobicContact CZ2-CB 3.58Å; W960-K964 HydrophobicContact CZ3-CB 4.29Å; W960-K964 WeakPolarHBondContact O-CB 3.27Å; W960-K964 WeakPolarHBondContact O-CG 3.28Å; W960-K964 PolarHBondContact O-N 2.69Å; N961-K964 PolarHBondContact OD1-NZ 3.25Å |
| 965 | L | 87.6 | Confident | 93.8 | Very high | 156 Ų | 156 | 46.5 Ų | 46.5 | 82% | 0.817 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -115.3 | -0.9 | -179.5 | -69 | 175.9 | 0 | 0 | 0 | 113.4 | T963 | T963-L965 VanDerWaalsContact C-N 3.26Å; T963-L965 PolarHBondContact O-N 2.98Å |
| 966 | T | 90 | Very high | 94 | Very high | 31 Ų | 31 | 46.5 Ų | 46.5 | 19% | 0.19 | 23% | 0.228 | C | C | . | . | trans | -75.4 | 149.9 | -176.4 | -163.2 | 0 | 0 | 0 | 0 | 111.8 | T963 D968 R971 I972 | T963-T966 VanDerWaalsContact O-CG2 3.3Å; T963-T966 WeakPolarHBondContact O-CG2 3.39Å; T963-T966 PolarHBondContact O-N 2.93Å; T963-T966 VanDerWaalsContact O-N 3.11Å; T966-D968 PolarHBondContact OG1-N 3.19Å; T966-R971 HydrophobicContact CG2-CB 4.41Å; T966-R971 HydrophobicContact CG2-CG 4.42Å; T966-I972 HydrophobicContact CG2-CD1 3.99Å; T966-I972 HydrophobicContact CG2-CG1 3.51Å | ||
| 967 | K | 90.2 | Very high | 94 | Very high | 147 Ų | 147 | 48.9 Ų | 48.9 | 64% | 0.639 | 24% | 0.24 | S | C | * | . | trans | -104 | -3.5 | 170 | -59 | -172.9 | -174.5 | 170.8 | 0 | 112.2 | V969 | K967-V969 PolarHBondContact O-N 3.49Š| ||
| 968 | D | 90.8 | Very high | 94.1 | Very high | 33 Ų | 33 | 45.8 Ų | 45.8 | 18% | 0.176 | 23% | 0.226 | C | C | . | . | trans | -75 | 111.1 | -179.5 | 175.7 | 0.4 | 0 | 0 | 0 | 110.3 | T966 Q970 R971 I972 | T966-D968 PolarHBondContact OG1-N 3.19Å; D968-Q970 VanDerWaalsContact C-N 3.31Å; D968-Q970 PolarHBondContact O-N 3.06Å; D968-Q970 WeakPolarHBondContact OD1-CB 3.42Å; D968-Q970 PolarHBondContact OD1-N 3.25Å; D968-R971 HydrophobicContact CB-CB 3.93Å; D968-R971 PolarHBondContact O-N 3.44Å; D968-R971 PolarHBondContact OD1-N 2.96Å; D968-R971 WeakPolarHBondContact OD2-CB 3.16Å; D968-R971 IonicContact OD2-NE 3.9Å; D968-I972 VanDerWaalsContact O-CG1 3.28Å; D968-I972 WeakPolarHBondContact O-CG1 3.32Å; D968-I972 PolarHBondContact O-N 3.43Å; D968-I972 VanDerWaalsContact O-N 3.1Å | ||
| 969 | V | 92.9 | Very high | 94.2 | Very high | 44 Ų | 44 | 44 Ų | 44 | 27% | 0.267 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.5 | -35.2 | -178.7 | 176 | 0 | 0 | 0 | 0 | 111.6 | K967 I972 K973 I1008 | K967-V969 PolarHBondContact O-N 3.49Å; V969-I972 PolarHBondContact O-N 2.88Å; V969-K973 WeakPolarHBondContact O-CG 3.3Å; V969-K973 PolarHBondContact O-N 3.44Å; V969-I1008 HydrophobicContact CG1-CD1 3.79Å; V969-I1008 HydrophobicContact CG1-CG1 4.39Å |
| 970 | Q | 92.2 | Very high | 94.1 | Very high | 110 Ų | 110 | 44 Ų | 44 | 51% | 0.514 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -70.5 | -41.3 | -179.2 | -66 | -61.9 | -31.8 | 0 | 0 | 111 | D968 I972 K973 A974 | D968-Q970 VanDerWaalsContact C-N 3.31Å; D968-Q970 PolarHBondContact O-N 3.06Å; D968-Q970 WeakPolarHBondContact OD1-CB 3.42Å; D968-Q970 PolarHBondContact OD1-N 3.25Å; Q970-I972 PolarHBondContact O-N 2.88Å; Q970-K973 PolarHBondContact O-N 3.35Å; Q970-A974 PolarHBondContact O-N 2.91Å |
| 971 | R | 94.5 | Very high | 94 | Very high | 22 Ų | 22 | 42.3 Ų | 42.3 | 8% | 0.083 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.2 | -43.1 | 173.1 | -170.5 | -178.8 | -51.1 | -168.5 | -2.5 | 112.4 | V925 V926 F929 T966 D968 A974 A975 | V925-R971 HydrophobicContact CG1-CG 4.11Å; V926-R971 HydrophobicContact CG2-CB 3.79Å; V926-R971 HydrophobicContact CG2-CG 4.15Å; F929-R971 HydrophobicContact CD2-CG 4.22Å; F929-R971 HydrophobicContact CE2-CG 3.75Å; T966-R971 HydrophobicContact CG2-CB 4.41Å; T966-R971 HydrophobicContact CG2-CG 4.42Å; D968-R971 HydrophobicContact CB-CB 3.93Å; D968-R971 PolarHBondContact O-N 3.44Å; D968-R971 PolarHBondContact OD1-N 2.96Å; D968-R971 WeakPolarHBondContact OD2-CB 3.16Å; D968-R971 IonicContact OD2-NE 3.9Å; R971-A974 PolarHBondContact O-N 3.26Å; R971-A975 WeakPolarHBondContact O-CB 3.43Å; R971-A975 PolarHBondContact O-N 3.37Å |
| 972 | I | 96 | Very high | 94 | Very high | 12 Ų | 12 | 38.7 Ų | 38.7 | 6% | 0.062 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.1 | -40 | 177.9 | -60.7 | 162.3 | 0 | 0 | 0 | 110.6 | T963 T966 D968 V969 Q970 A975 I976 I1000 I1008 | T963-I972 HydrophobicContact CG2-CB 4.48Å; T963-I972 HydrophobicContact CG2-CG1 4.1Å; T963-I972 HydrophobicContact CG2-CG2 4.41Å; T966-I972 HydrophobicContact CG2-CD1 3.99Å; T966-I972 HydrophobicContact CG2-CG1 3.51Å; D968-I972 VanDerWaalsContact O-CG1 3.28Å; D968-I972 WeakPolarHBondContact O-CG1 3.32Å; D968-I972 PolarHBondContact O-N 3.43Å; D968-I972 VanDerWaalsContact O-N 3.1Å; V969-I972 PolarHBondContact O-N 2.88Å; Q970-I972 PolarHBondContact O-N 2.88Å; I972-A975 PolarHBondContact O-N 3.37Å; I972-I976 HydrophobicContact CG2-CD1 4.21Å; I972-I976 WeakPolarHBondContact O-CG1 3.46Å; I972-I976 PolarHBondContact O-N 3.28Å; I972-I1000 HydrophobicContact CG2-CG2 4.13Å; I972-I1008 HydrophobicContact CB-CD1 3.75Å; I972-I1008 HydrophobicContact CB-CG1 4.41Å; I972-I1008 HydrophobicContact CG2-CB 4.49Å; I972-I1008 HydrophobicContact CG2-CD1 3.64Å; I972-I1008 HydrophobicContact CG2-CG1 4.06Å; I972-I1008 HydrophobicContact CG2-CG2 3.63Å |
| 973 | K | 95.8 | Very high | 94 | Very high | 70 Ų | 70 | 37.6 Ų | 37.6 | 30% | 0.304 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -60.4 | -52.1 | 174.5 | -78.4 | -175 | 170.6 | -164.6 | 0 | 111.9 | V969 Q970 A975 I976 D977 I1008 A1011 | V969-K973 WeakPolarHBondContact O-CG 3.3Å; V969-K973 PolarHBondContact O-N 3.44Å; Q970-K973 PolarHBondContact O-N 3.35Å; K973-A975 PolarHBondContact O-N 3.46Å; K973-I976 WeakPolarHBondContact O-CA 3.37Å; K973-I976 VanDerWaalsContact O-CB 3.31Å; K973-I976 WeakPolarHBondContact O-CB 3.18Å; K973-I976 PolarHBondContact O-N 3.16Å; K973-D977 VanDerWaalsContact O-CG 3.32Å; K973-D977 PolarHBondContact O-N 2.93Å; K973-D977 VanDerWaalsContact O-N 3.1Å; K973-I1008 HydrophobicContact CG-CD1 3.92Å; K973-A1011 HydrophobicContact CG-CB 4.48Å |
| 974 | A | 95.9 | Very high | 93.8 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 2% | 0.017 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60 | -32.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V926 F929 K930 Q970 R971 V978 | V926-A974 HydrophobicContact CG1-CB 4.33Å; F929-A974 HydrophobicContact CB-CB 3.64Å; F929-A974 HydrophobicContact CD2-CB 4.17Å; F929-A974 HydrophobicContact CG-CB 4.45Å; K930-A974 HydrophobicContact CG-CB 4.17Å; Q970-A974 PolarHBondContact O-N 2.91Å; R971-A974 PolarHBondContact O-N 3.26Å; A974-V978 WeakPolarHBondContact O-CG2 3.43Å; A974-V978 PolarHBondContact O-N 3.38Å |
| 975 | A | 97.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -70.4 | -34.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | F929 V959 T963 R971 I972 K973 V978 F979 | F929-A975 HydrophobicContact CD2-CB 3.88Å; F929-A975 HydrophobicContact CE2-CB 3.81Å; V959-A975 HydrophobicContact CG1-CB 3.92Å; T963-A975 HydrophobicContact CG2-CB 3.82Å; T963-A975 VanDerWaalsContact OG1-CB 3.28Å; T963-A975 WeakPolarHBondContact OG1-CB 3.44Å; R971-A975 WeakPolarHBondContact O-CB 3.43Å; R971-A975 PolarHBondContact O-N 3.37Å; I972-A975 PolarHBondContact O-N 3.37Å; K973-A975 PolarHBondContact O-N 3.46Å; A975-V978 PolarHBondContact O-N 2.73Å; A975-F979 HydrophobicContact CB-CE2 4.07Å; A975-F979 WeakPolarHBondContact O-CD2 3.43Å; A975-F979 VanDerWaalsContact O-CG 3.25Å; A975-F979 WeakPolarHBondContact O-CG 3.28Å; A975-F979 PolarHBondContact O-N 2.86Å |
| 976 | I | 97.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.7 | -47.9 | 173.9 | -72.1 | 160.8 | 0 | 0 | 0 | 109.6 | I972 K973 V978 F979 G980 M997 I1000 I1008 A1011 T1012 E1015 | I972-I976 HydrophobicContact CG2-CD1 4.21Å; I972-I976 WeakPolarHBondContact O-CG1 3.46Å; I972-I976 PolarHBondContact O-N 3.28Å; K973-I976 WeakPolarHBondContact O-CA 3.37Å; K973-I976 VanDerWaalsContact O-CB 3.31Å; K973-I976 WeakPolarHBondContact O-CB 3.18Å; K973-I976 PolarHBondContact O-N 3.16Å; I976-V978 VanDerWaalsContact C-N 3.33Å; I976-V978 PolarHBondContact O-N 3.25Å; I976-F979 CarbonylContact O-C 3.23Å; I976-F979 PolarHBondContact O-N 3.05Å; I976-G980 PolarHBondContact O-N 3.16Å; I976-M997 HydrophobicContact CG2-CE 4.31Å; I976-I1000 HydrophobicContact CD1-CG2 3.91Å; I976-I1000 HydrophobicContact CG1-CD1 4.3Å; I976-I1000 HydrophobicContact CG1-CG2 3.99Å; I976-I1008 HydrophobicContact CD1-CG2 4.11Å; I976-A1011 HydrophobicContact CD1-CB 4.11Å; I976-T1012 VanDerWaalsContact CD1-OG1 3.24Å; I976-T1012 WeakPolarHBondContact CD1-OG1 3.4Å; I976-E1015 HydrophobicContact CG2-CB 3.59Å; I976-E1015 HydrophobicContact CG2-CG 3.77Å |
| 977 | D | 96.9 | Very high | 93.8 | Very high | 50 Ų | 50 | 30.2 Ų | 30.2 | 27% | 0.267 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -56.5 | -47.9 | 178.3 | -49 | -19.4 | 0 | 0 | 0 | 110 | D933 K973 F979 G980 G981 | D933-D977 HydrophobicContact CB-CB 4.31Å; K973-D977 VanDerWaalsContact O-CG 3.32Å; K973-D977 PolarHBondContact O-N 2.93Å; K973-D977 VanDerWaalsContact O-N 3.1Å; D977-F979 PolarHBondContact O-N 3.45Å; D977-G980 PolarHBondContact O-N 3.18Å; D977-G980 VanDerWaalsContact O-N 3.16Å; D977-G981 PolarHBondContact O-N 3.45Å |
| 978 | V | 97.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.7 | -45.8 | 173.5 | 173.7 | 0 | 0 | 0 | 0 | 112.3 | F929 L932 D933 L936 V959 A974 A975 I976 G980 G981 M982 | F929-V978 HydrophobicContact CB-CG2 4.09Å; F929-V978 WeakPolarHBondContact O-CG2 3.47Å; L932-V978 HydrophobicContact CB-CG2 4.16Å; L932-V978 HydrophobicContact CD2-CG1 3.65Å; L932-V978 HydrophobicContact CD2-CG2 4.27Å; L932-V978 HydrophobicContact CG-CG1 4.08Å; L932-V978 HydrophobicContact CG-CG2 4.26Å; D933-V978 HydrophobicContact CB-CG2 4.13Å; L936-V978 HydrophobicContact CD1-CG1 4.1Å; V959-V978 HydrophobicContact CG1-CG1 4.31Å; V959-V978 HydrophobicContact CG2-CG1 4.17Å; A974-V978 WeakPolarHBondContact O-CG2 3.43Å; A974-V978 PolarHBondContact O-N 3.38Å; A975-V978 PolarHBondContact O-N 2.73Å; I976-V978 VanDerWaalsContact C-N 3.33Å; I976-V978 PolarHBondContact O-N 3.25Å; V978-G980 VanDerWaalsContact C-N 3.32Å; V978-G980 PolarHBondContact O-N 3.25Å; V978-G981 PolarHBondContact O-N 3.18Å; V978-M982 HydrophobicContact CG1-CE 4.44Å; V978-M982 HydrophobicContact CG1-CG 4.42Å; V978-M982 WeakPolarHBondContact O-CG 3.35Å; V978-M982 PolarHBondContact O-N 3.38Å |
| 979 | F | 97.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67 | -34.2 | 179.1 | -63.1 | -43.5 | 0 | 0 | 0 | 112.4 | T956 V959 W960 A975 I976 D977 M982 L983 L996 M997 I1000 | T956-F979 HydrophobicContact CG2-CD1 4.28Å; T956-F979 HydrophobicContact CG2-CE1 4.03Å; V959-F979 HydrophobicContact CB-CE1 4.28Å; V959-F979 HydrophobicContact CB-CZ 4.37Å; V959-F979 HydrophobicContact CG1-CE1 3.89Å; V959-F979 HydrophobicContact CG1-CE2 4.42Å; V959-F979 HydrophobicContact CG1-CZ 3.71Å; W960-F979 HydrophobicContact CB-CZ 4.26Å; W960-F979 HydrophobicContact CE3-CE2 4.39Å; W960-F979 HydrophobicContact CE3-CZ 4.25Å; A975-F979 HydrophobicContact CB-CE2 4.07Å; A975-F979 WeakPolarHBondContact O-CD2 3.43Å; A975-F979 VanDerWaalsContact O-CG 3.25Å; A975-F979 WeakPolarHBondContact O-CG 3.28Å; A975-F979 PolarHBondContact O-N 2.86Å; I976-F979 CarbonylContact O-C 3.23Å; I976-F979 PolarHBondContact O-N 3.05Å; D977-F979 PolarHBondContact O-N 3.45Å; F979-M982 PolarHBondContact O-N 2.95Å; F979-L983 WeakPolarHBondContact O-CG 3.5Å; F979-L983 PolarHBondContact O-N 3.22Å; F979-L996 HydrophobicContact CD1-CD1 4.1Å; F979-L996 HydrophobicContact CE1-CD1 3.52Å; F979-L996 HydrophobicContact CE2-CB 4.47Å; F979-L996 HydrophobicContact CZ-CB 4.49Å; F979-L996 HydrophobicContact CZ-CD1 3.76Å; F979-M997 HydrophobicContact CB-CG 3.77Å; F979-M997 HydrophobicContact CB-SD 4.1Å; F979-I1000 HydrophobicContact CD2-CD1 3.69Å; F979-I1000 HydrophobicContact CE2-CD1 3.65Å |
| 980 | G | 95.1 | Very high | 93.9 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62 | -50 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I976 D977 V978 M982 L983 | I976-G980 PolarHBondContact O-N 3.16Å; D977-G980 PolarHBondContact O-N 3.18Å; D977-G980 VanDerWaalsContact O-N 3.16Å; V978-G980 VanDerWaalsContact C-N 3.32Å; V978-G980 PolarHBondContact O-N 3.25Å; G980-M982 VanDerWaalsContact C-N 3.26Å; G980-M982 PolarHBondContact O-N 3.46Å; G980-L983 WeakPolarHBondContact O-CB 3.48Å; G980-L983 WeakPolarHBondContact O-CG 3.34Å; G980-L983 PolarHBondContact O-N 3.14Å |
| 981 | G | 93.4 | Very high | 94 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.3 | -34.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | D977 V978 L983 Q984 | D977-G981 PolarHBondContact O-N 3.45Å; V978-G981 PolarHBondContact O-N 3.18Å; G981-L983 PolarHBondContact O-N 3Å; G981-Q984 VanDerWaalsContact O-CG 3.23Å; G981-Q984 WeakPolarHBondContact O-CG 3.47Å; G981-Q984 PolarHBondContact O-NE2 3.42Å |
| 982 | M | 94.2 | Very high | 94 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -70.4 | -14.5 | 175.6 | -70.3 | -71.5 | -173.4 | 0 | 0 | 113.8 | L936 L952 L955 V978 F979 G980 Q984 F985 V989 S993 | L936-M982 HydrophobicContact CD1-CE 3.92Å; L936-M982 HydrophobicContact CD1-CG 3.9Å; L936-M982 HydrophobicContact CD1-SD 4.02Å; L936-M982 HydrophobicContact CD2-CE 3.96Å; L936-M982 HydrophobicContact CD2-SD 3.95Å; L952-M982 HydrophobicContact CB-SD 4.29Å; L952-M982 HydrophobicContact CD2-CE 4.09Å; L952-M982 HydrophobicContact CD2-SD 4Å; L955-M982 HydrophobicContact CB-CE 4.14Å; V978-M982 HydrophobicContact CG1-CE 4.44Å; V978-M982 HydrophobicContact CG1-CG 4.42Å; V978-M982 WeakPolarHBondContact O-CG 3.35Å; V978-M982 PolarHBondContact O-N 3.38Å; F979-M982 PolarHBondContact O-N 2.95Å; G980-M982 VanDerWaalsContact C-N 3.26Å; G980-M982 PolarHBondContact O-N 3.46Å; M982-Q984 PolarHBondContact O-N 3.38Å; M982-F985 PolarHBondContact O-N 3.14Å; M982-F985 HydrophobicContact SD-CD2 4.45Å; M982-V989 HydrophobicContact CB-CG1 4.08Å; M982-V989 HydrophobicContact CG-CG1 4.48Å; M982-V989 HydrophobicContact SD-CG1 3.9Å; M982-S993 WeakPolarHBondContact CB-OG 3.32Å |
| 983 | L | 93.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -66.8 | -24.4 | -179.9 | -63.4 | 178.6 | 0 | 0 | 0 | 112.8 | F979 G980 G981 F985 R990 L994 M997 L1016 Y1023 L1025 | F979-L983 WeakPolarHBondContact O-CG 3.5Å; F979-L983 PolarHBondContact O-N 3.22Å; G980-L983 WeakPolarHBondContact O-CB 3.48Å; G980-L983 WeakPolarHBondContact O-CG 3.34Å; G980-L983 PolarHBondContact O-N 3.14Å; G981-L983 PolarHBondContact O-N 3Å; L983-F985 VanDerWaalsContact C-N 3.27Å; L983-F985 PolarHBondContact O-N 3.28Å; L983-R990 PolarHBondContact O-NE 2.99Å; L983-R990 PolarHBondContact O-NH2 2.89Å; L983-L994 HydrophobicContact CD2-CD2 3.7Å; L983-L994 HydrophobicContact CD2-CG 3.67Å; L983-M997 HydrophobicContact CD1-CE 4.49Å; L983-M997 HydrophobicContact CD1-SD 3.88Å; L983-M997 HydrophobicContact CD2-SD 4.12Å; L983-M997 HydrophobicContact CG-SD 4.18Å; L983-L1016 HydrophobicContact CD1-CD2 4.24Å; L983-Y1023 HydrophobicContact CB-CD2 3.95Å; L983-Y1023 HydrophobicContact CB-CE2 4.28Å; L983-L1025 HydrophobicContact CB-CD2 4Å; L983-L1025 HydrophobicContact CD1-CD1 4.02Å |
| 984 | Q | 91.2 | Very high | 93.9 | Very high | 24 Ų | 24 | 24.7 Ų | 24.7 | 11% | 0.112 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -62.7 | -32.9 | 179.3 | 72.4 | -165.5 | -54.1 | 0 | 0 | 112.8 | L936 N942 G981 M982 T986 R990 Y1023 | L936-Q984 PolarHBondContact O-NE2 3.46Å; N942-Q984 PolarHBondContact ND2-OE1 3.27Å; N942-Q984 PolarHBondContact OD1-OE1 2.63Å; G981-Q984 VanDerWaalsContact O-CG 3.23Å; G981-Q984 WeakPolarHBondContact O-CG 3.47Å; G981-Q984 PolarHBondContact O-NE2 3.42Å; M982-Q984 PolarHBondContact O-N 3.38Å; Q984-T986 PolarHBondContact O-N 2.82Å; Q984-R990 PolarHBondContact O-NH2 3.38Å; Q984-Y1023 HydrophobicContact CB-CD1 3.81Å; Q984-Y1023 HydrophobicContact CB-CD2 4.5Å; Q984-Y1023 HydrophobicContact CB-CE1 3.41Å; Q984-Y1023 VanDerWaalsContact CB-CE1 3.41Å; Q984-Y1023 HydrophobicContact CB-CE2 4.16Å; Q984-Y1023 HydrophobicContact CB-CG 4.35Å |
| 985 | F | 90.5 | Very high | 93.9 | Very high | 5 Ų | 5 | 25.5 Ų | 25.5 | 2% | 0.022 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -81.5 | 106.3 | -176.7 | -56.5 | -77.8 | 0 | 0 | 0 | 112.6 | L936 N942 I945 P947 L952 M982 L983 V989 R990 | L936-F985 HydrophobicContact CD2-CE2 3.9Å; L936-F985 HydrophobicContact CD2-CZ 4.43Å; N942-F985 WeakPolarHBondContact OD1-CE1 3.35Å; I945-F985 HydrophobicContact CB-CE1 4.16Å; I945-F985 HydrophobicContact CD1-CZ 4.22Å; I945-F985 HydrophobicContact CG2-CE1 4.31Å; P947-F985 HydrophobicContact CB-CB 4.42Å; L952-F985 HydrophobicContact CD1-CB 4.12Å; L952-F985 HydrophobicContact CD1-CD1 3.7Å; L952-F985 HydrophobicContact CD1-CD2 3.72Å; L952-F985 HydrophobicContact CD1-CE1 4.03Å; L952-F985 HydrophobicContact CD1-CE2 4.05Å; L952-F985 HydrophobicContact CD1-CG 3.54Å; L952-F985 HydrophobicContact CD1-CZ 4.2Å; M982-F985 PolarHBondContact O-N 3.14Å; M982-F985 HydrophobicContact SD-CD2 4.45Å; L983-F985 VanDerWaalsContact C-N 3.27Å; L983-F985 PolarHBondContact O-N 3.28Å; F985-V989 HydrophobicContact CB-CB 4.24Å; F985-V989 HydrophobicContact CB-CG1 4.18Å; F985-R990 WeakPolarHBondContact O-CB 3.21Å; F985-R990 PolarHBondContact O-N 3.42Å; F985-R990 VanDerWaalsContact O-N 3.17Å |
| 986 | T | 87.9 | Confident | 93.9 | Very high | 76 Ų | 76 | 25.5 Ų | 25.5 | 47% | 0.466 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 156.1 | 178.4 | 56.1 | 0 | 0 | 0 | 0 | 113 | Q984 R990 | Q984-T986 PolarHBondContact O-N 2.82Å; T986-R990 VanDerWaalsContact CG2-NH2 3.26Å |
| 987 | G | 89.3 | Confident | 93.9 | Very high | 37 Ų | 37 | 25.5 Ų | 25.5 | 38% | 0.381 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 98 | -138.1 | 173 | 0 | 0 | 0 | 0 | 0 | 113.5 | K991 | G987-K991 WeakPolarHBondContact O-CG 3.36Å; G987-K991 PolarHBondContact O-N 3.11Å |
| 988 | S | 91 | Very high | 93.8 | Very high | 58 Ų | 58 | 23.1 Ų | 23.1 | 41% | 0.406 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -66.8 | -37.2 | -174.1 | 52 | 0 | 0 | 0 | 0 | 112.8 | R992 | S988-R992 VanDerWaalsContact O-CB 3.28Å; S988-R992 WeakPolarHBondContact O-CB 3.28Å; S988-R992 PolarHBondContact O-N 3.11Å |
| 989 | V | 92.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.2 | -57.6 | 179.2 | 179.2 | 0 | 0 | 0 | 0 | 110.5 | L952 L953 M982 F985 K991 R992 S993 | L952-V989 HydrophobicContact CB-CG1 4.22Å; L952-V989 HydrophobicContact CB-CG2 3.73Å; L952-V989 HydrophobicContact CD1-CG2 4.35Å; L953-V989 HydrophobicContact CD2-CG2 3.96Å; L953-V989 HydrophobicContact CG-CG2 3.87Å; M982-V989 HydrophobicContact CB-CG1 4.08Å; M982-V989 HydrophobicContact CG-CG1 4.48Å; M982-V989 HydrophobicContact SD-CG1 3.9Å; F985-V989 HydrophobicContact CB-CB 4.24Å; F985-V989 HydrophobicContact CB-CG1 4.18Å; V989-K991 PolarHBondContact O-N 3.36Å; V989-R992 WeakPolarHBondContact O-CB 3.27Å; V989-R992 PolarHBondContact O-N 3.23Å; V989-R992 VanDerWaalsContact O-N 3.07Å; V989-S993 PolarHBondContact O-N 3.37Å; V989-S993 PolarHBondContact O-OG 2.72Å |
| 990 | R | 92.9 | Very high | 93.6 | Very high | 43 Ų | 43 | 26.7 Ų | 26.7 | 16% | 0.162 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -54.5 | -47.7 | 175.7 | 178 | -176.3 | -58.5 | 177.7 | 0.6 | 112.8 | L983 Q984 F985 T986 R992 S993 L994 E1024 L1025 | L983-R990 PolarHBondContact O-NE 2.99Å; L983-R990 PolarHBondContact O-NH2 2.89Å; Q984-R990 PolarHBondContact O-NH2 3.38Å; F985-R990 WeakPolarHBondContact O-CB 3.21Å; F985-R990 PolarHBondContact O-N 3.42Å; F985-R990 VanDerWaalsContact O-N 3.17Å; T986-R990 VanDerWaalsContact CG2-NH2 3.26Å; R990-R992 VanDerWaalsContact C-N 3.26Å; R990-R992 PolarHBondContact O-N 2.78Å; R990-S993 PolarHBondContact O-N 3.31Å; R990-L994 HydrophobicContact CG-CD1 3.98Å; R990-L994 HydrophobicContact CG-CG 4.4Å; R990-L994 WeakPolarHBondContact O-CB 3.42Å; R990-L994 WeakPolarHBondContact O-CG 3.27Å; R990-L994 PolarHBondContact O-N 3.06Å; R990-E1024 PolarHBondContact NH1-O 3.22Å; R990-L1025 HydrophobicContact CG-CD2 4.48Å |
| 991 | K | 93.1 | Very high | 93.5 | Very high | 138 Ų | 138 | 26.6 Ų | 26.6 | 60% | 0.6 | 14% | 0.143 | S | C | * | . | H | α-helix | trans | -59.6 | -39.2 | 178.5 | -75.8 | -175.9 | 179.7 | -174.3 | 0 | 111.9 | G987 V989 S995 | G987-K991 WeakPolarHBondContact O-CG 3.36Å; G987-K991 PolarHBondContact O-N 3.11Å; V989-K991 PolarHBondContact O-N 3.36Å; K991-S995 WeakPolarHBondContact O-CB 3.47Å; K991-S995 PolarHBondContact O-N 3.09Å; K991-S995 VanDerWaalsContact O-N 3.1Å; K991-S995 PolarHBondContact O-OG 3.43Å |
| 992 | R | 94.5 | Very high | 93.4 | Very high | 77 Ų | 77 | 27.3 Ų | 27.3 | 29% | 0.291 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -69.6 | -48.4 | 178.1 | -176.4 | 53.1 | 170.5 | 163.1 | -1.5 | 111.5 | L953 T956 E957 S988 V989 R990 L994 S995 L996 | L953-R992 HydrophobicContact CD2-CB 4.34Å; T956-R992 HydrophobicContact CG2-CG 3.98Å; E957-R992 IonicContact OE1-CZ 2.99Å; E957-R992 IonicContact OE1-NE 3.29Å; E957-R992 PolarHBondContact OE1-NE 3.12Å; E957-R992 IonicContact OE1-NH2 3.35Å; E957-R992 PolarHBondContact OE1-NH2 3.28Å; E957-R992 IonicContact OE2-NH2 2.87Å; E957-R992 PolarHBondContact OE2-NH2 3.29Å; S988-R992 VanDerWaalsContact O-CB 3.28Å; S988-R992 WeakPolarHBondContact O-CB 3.28Å; S988-R992 PolarHBondContact O-N 3.11Å; V989-R992 WeakPolarHBondContact O-CB 3.27Å; V989-R992 PolarHBondContact O-N 3.23Å; V989-R992 VanDerWaalsContact O-N 3.07Å; R990-R992 VanDerWaalsContact C-N 3.26Å; R990-R992 PolarHBondContact O-N 2.78Å; R992-L994 PolarHBondContact O-N 2.82Å; R992-S995 WeakPolarHBondContact O-CB 3.5Å; R992-S995 PolarHBondContact O-N 3.47Å; R992-S995 VanDerWaalsContact O-N 3.12Å; R992-L996 HydrophobicContact CG-CD1 4.42Å; R992-L996 WeakPolarHBondContact O-CG 3.15Å; R992-L996 PolarHBondContact O-N 3.22Å |
| 993 | S | 95.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.6 | -44.4 | 178.3 | -60.6 | 0 | 0 | 0 | 0 | 112 | M982 V989 R990 S995 L996 M997 | M982-S993 WeakPolarHBondContact CB-OG 3.32Å; V989-S993 PolarHBondContact O-N 3.37Å; V989-S993 PolarHBondContact O-OG 2.72Å; R990-S993 PolarHBondContact O-N 3.31Å; S993-S995 VanDerWaalsContact C-N 3.34Å; S993-S995 PolarHBondContact O-N 3.15Å; S993-L996 PolarHBondContact O-N 3.45Å; S993-L996 VanDerWaalsContact O-N 3.15Å; S993-M997 WeakPolarHBondContact O-CG 2.81Å; S993-M997 PolarHBondContact O-N 3.45Å |
| 994 | L | 96.2 | Very high | 93.1 | Very high | 5 Ų | 5 | 35.5 Ų | 35.5 | 3% | 0.026 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.9 | -46.2 | 171.7 | -76.3 | 171.8 | 0 | 0 | 0 | 111.7 | L983 R990 R992 L996 M997 M998 L1016 F1061 V1063 | L983-L994 HydrophobicContact CD2-CD2 3.7Å; L983-L994 HydrophobicContact CD2-CG 3.67Å; R990-L994 HydrophobicContact CG-CD1 3.98Å; R990-L994 HydrophobicContact CG-CG 4.4Å; R990-L994 WeakPolarHBondContact O-CB 3.42Å; R990-L994 WeakPolarHBondContact O-CG 3.27Å; R990-L994 PolarHBondContact O-N 3.06Å; R992-L994 PolarHBondContact O-N 2.82Å; L994-L996 VanDerWaalsContact C-N 3.3Å; L994-L996 PolarHBondContact O-N 2.97Å; L994-M997 PolarHBondContact O-N 2.85Å; L994-M998 WeakPolarHBondContact O-CB 3.44Å; L994-M998 VanDerWaalsContact O-CG 3.26Å; L994-M998 WeakPolarHBondContact O-CG 3.41Å; L994-M998 PolarHBondContact O-N 3.35Å; L994-L1016 HydrophobicContact CD2-CD2 3.96Å; L994-F1061 HydrophobicContact CD1-CB 4.46Å; L994-F1061 HydrophobicContact CD1-CD1 4.49Å; L994-F1061 HydrophobicContact CD2-CD1 4.38Å; L994-F1061 HydrophobicContact CD2-CG 4.39Å; L994-V1063 HydrophobicContact CB-CG1 3.85Å; L994-V1063 HydrophobicContact CD1-CG1 4.36Å |
| 995 | S | 96 | Very high | 93.2 | Very high | 20 Ų | 20 | 37.3 Ų | 37.3 | 14% | 0.14 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.5 | -39.4 | 177.6 | -59.3 | 0 | 0 | 0 | 0 | 112.2 | K991 R992 S993 I999 | K991-S995 WeakPolarHBondContact O-CB 3.47Å; K991-S995 PolarHBondContact O-N 3.09Å; K991-S995 VanDerWaalsContact O-N 3.1Å; K991-S995 PolarHBondContact O-OG 3.43Å; R992-S995 WeakPolarHBondContact O-CB 3.5Å; R992-S995 PolarHBondContact O-N 3.47Å; R992-S995 VanDerWaalsContact O-N 3.12Å; S993-S995 VanDerWaalsContact C-N 3.34Å; S993-S995 PolarHBondContact O-N 3.15Å; S995-I999 WeakPolarHBondContact O-CG1 3.4Å; S995-I999 PolarHBondContact O-N 3.11Å |
| 996 | L | 96.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -69.5 | -45.1 | 177 | -66.2 | -179.2 | 0 | 0 | 0 | 111.6 | T956 W960 F979 R992 S993 L994 M998 I999 I1000 | T956-L996 HydrophobicContact CG2-CD1 3.7Å; W960-L996 HydrophobicContact CB-CD1 3.91Å; W960-L996 HydrophobicContact CB-CD2 4.43Å; W960-L996 HydrophobicContact CD2-CD1 4.36Å; W960-L996 HydrophobicContact CD2-CD2 3.5Å; W960-L996 VanDerWaalsContact CD2-CD2 3.5Å; W960-L996 HydrophobicContact CD2-CG 4.46Å; W960-L996 HydrophobicContact CE3-CD1 4.5Å; W960-L996 HydrophobicContact CE3-CD2 3.89Å; W960-L996 HydrophobicContact CG-CD1 4.11Å; W960-L996 HydrophobicContact CG-CD2 3.73Å; W960-L996 HydrophobicContact CZ2-CD2 4.22Å; W960-L996 HydrophobicContact CZ3-CD2 4.4Å; F979-L996 HydrophobicContact CD1-CD1 4.1Å; F979-L996 HydrophobicContact CE1-CD1 3.52Å; F979-L996 HydrophobicContact CE2-CB 4.47Å; F979-L996 HydrophobicContact CZ-CB 4.49Å; F979-L996 HydrophobicContact CZ-CD1 3.76Å; R992-L996 HydrophobicContact CG-CD1 4.42Å; R992-L996 WeakPolarHBondContact O-CG 3.15Å; R992-L996 PolarHBondContact O-N 3.22Å; S993-L996 PolarHBondContact O-N 3.45Å; S993-L996 VanDerWaalsContact O-N 3.15Å; L994-L996 VanDerWaalsContact C-N 3.3Å; L994-L996 PolarHBondContact O-N 2.97Å; L996-M998 VanDerWaalsContact C-N 3.28Å; L996-M998 PolarHBondContact O-N 3.4Å; L996-I999 HydrophobicContact CD2-CD1 4.21Å; L996-I999 WeakPolarHBondContact O-CA 3.07Å; L996-I999 WeakPolarHBondContact O-CB 3.39Å; L996-I999 PolarHBondContact O-N 3.4Å; L996-I1000 WeakPolarHBondContact O-CG1 3.47Å; L996-I1000 PolarHBondContact O-N 3.08Å |
| 997 | M | 96.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.2 | -36.6 | 174.8 | -67.3 | 178.9 | 94.2 | 0 | 0 | 111.6 | I976 F979 L983 S993 L994 I999 I1000 L1001 T1012 E1015 L1016 | I976-M997 HydrophobicContact CG2-CE 4.31Å; F979-M997 HydrophobicContact CB-CG 3.77Å; F979-M997 HydrophobicContact CB-SD 4.1Å; L983-M997 HydrophobicContact CD1-CE 4.49Å; L983-M997 HydrophobicContact CD1-SD 3.88Å; L983-M997 HydrophobicContact CD2-SD 4.12Å; L983-M997 HydrophobicContact CG-SD 4.18Å; S993-M997 WeakPolarHBondContact O-CG 2.81Å; S993-M997 PolarHBondContact O-N 3.45Å; L994-M997 PolarHBondContact O-N 2.85Å; M997-I999 VanDerWaalsContact C-N 3.28Å; M997-I999 PolarHBondContact O-N 3.44Å; M997-I1000 CarbonylContact O-C 3.53Å; M997-I1000 PolarHBondContact O-N 2.86Å; M997-I1000 VanDerWaalsContact O-N 3.12Å; M997-L1001 WeakPolarHBondContact O-CB 3.38Å; M997-L1001 PolarHBondContact O-N 3.48Å; M997-T1012 HydrophobicContact CB-CG2 3.97Å; M997-T1012 HydrophobicContact CE-CG2 4.3Å; M997-T1012 HydrophobicContact CG-CG2 4.45Å; M997-T1012 WeakPolarHBondContact O-CG2 3.48Å; M997-E1015 HydrophobicContact CE-CB 3.85Å; M997-E1015 HydrophobicContact CE-CG 3.67Å; M997-L1016 HydrophobicContact CB-CD1 4.4Å; M997-L1016 HydrophobicContact CB-CD2 4.21Å; M997-L1016 HydrophobicContact CB-CG 4.45Å; M997-L1016 HydrophobicContact CE-CD2 3.85Å; M997-L1016 HydrophobicContact CE-CG 3.67Å; M997-L1016 HydrophobicContact SD-CD2 3.65Å; M997-L1016 HydrophobicContact SD-CG 4.14Å |
| 998 | M | 96.1 | Very high | 94 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64 | -29.6 | 172.6 | -71.3 | -55.5 | 106.2 | 0 | 0 | 113.4 | L994 L996 L1001 L1016 R1054 L1057 C1058 F1061 V1063 P1066 | L994-M998 WeakPolarHBondContact O-CB 3.44Å; L994-M998 VanDerWaalsContact O-CG 3.26Å; L994-M998 WeakPolarHBondContact O-CG 3.41Å; L994-M998 PolarHBondContact O-N 3.35Å; L996-M998 VanDerWaalsContact C-N 3.28Å; L996-M998 PolarHBondContact O-N 3.4Å; M998-L1001 HydrophobicContact CE-CD2 4.05Å; M998-L1001 HydrophobicContact SD-CD2 4.36Å; M998-L1016 HydrophobicContact CE-CD1 3.42Å; M998-L1016 VanDerWaalsContact CE-CD1 3.42Å; M998-L1016 HydrophobicContact CE-CD2 4.3Å; M998-R1054 WeakPolarHBondContact O-CD 3.24Å; M998-R1054 PolarHBondContact O-NH1 2.81Å; M998-R1054 HydrophobicContact SD-CG 4.26Å; M998-L1057 HydrophobicContact SD-CB 3.99Å; M998-C1058 VanDerWaalsContact CG-SG 3.55Å; M998-F1061 HydrophobicContact CE-CD2 4.29Å; M998-F1061 HydrophobicContact CE-CE2 4.33Å; M998-V1063 HydrophobicContact CG-CG2 3.84Å; M998-P1066 HydrophobicContact CB-CG 4.15Å |
| 999 | I | 94.6 | Very high | 94.3 | Very high | 65 Ų | 65 | 36 Ų | 36 | 33% | 0.333 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -69.8 | -45.4 | 170.9 | -64.3 | 164.7 | 0 | 0 | 0 | 109.8 | W960 S995 L996 M997 G1002 P1066 | W960-I999 HydrophobicContact CH2-CB 4.33Å; W960-I999 HydrophobicContact CH2-CD1 4.42Å; W960-I999 HydrophobicContact CH2-CG2 3.75Å; W960-I999 HydrophobicContact CZ2-CD1 4.17Å; W960-I999 HydrophobicContact CZ2-CG2 4.3Å; S995-I999 WeakPolarHBondContact O-CG1 3.4Å; S995-I999 PolarHBondContact O-N 3.11Å; L996-I999 HydrophobicContact CD2-CD1 4.21Å; L996-I999 WeakPolarHBondContact O-CA 3.07Å; L996-I999 WeakPolarHBondContact O-CB 3.39Å; L996-I999 PolarHBondContact O-N 3.4Å; M997-I999 VanDerWaalsContact C-N 3.28Å; M997-I999 PolarHBondContact O-N 3.44Å; I999-G1002 WeakPolarHBondContact O-CA 3.42Å; I999-G1002 PolarHBondContact O-N 3.19Å; I999-G1002 VanDerWaalsContact O-N 3.11Å; I999-P1066 HydrophobicContact CG1-CB 3.84Å; I999-P1066 HydrophobicContact CG1-CG 3.7Å |
| 1000 | I | 94.9 | Very high | 94.4 | Very high | 10 Ų | 10 | 40.7 Ų | 40.7 | 5% | 0.051 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -70.6 | -32.6 | -176.9 | -58.2 | 167.1 | 0 | 0 | 0 | 111.9 | W960 I972 I976 F979 L996 M997 G1002 S1003 I1008 T1012 | W960-I1000 HydrophobicContact CZ3-CD1 4.36Å; W960-I1000 HydrophobicContact CZ3-CG1 4.16Å; I972-I1000 HydrophobicContact CG2-CG2 4.13Å; I976-I1000 HydrophobicContact CD1-CG2 3.91Å; I976-I1000 HydrophobicContact CG1-CD1 4.3Å; I976-I1000 HydrophobicContact CG1-CG2 3.99Å; F979-I1000 HydrophobicContact CD2-CD1 3.69Å; F979-I1000 HydrophobicContact CE2-CD1 3.65Å; L996-I1000 WeakPolarHBondContact O-CG1 3.47Å; L996-I1000 PolarHBondContact O-N 3.08Å; M997-I1000 CarbonylContact O-C 3.53Å; M997-I1000 PolarHBondContact O-N 2.86Å; M997-I1000 VanDerWaalsContact O-N 3.12Å; I1000-G1002 PolarHBondContact O-N 3.31Å; I1000-G1002 VanDerWaalsContact O-N 3.17Å; I1000-S1003 WeakPolarHBondContact O-CA 3.33Å; I1000-S1003 WeakPolarHBondContact O-CB 3.29Å; I1000-S1003 PolarHBondContact O-N 2.88Å; I1000-I1008 HydrophobicContact CG2-CG2 3.33Å; I1000-T1012 HydrophobicContact CB-CG2 4.35Å; I1000-T1012 HydrophobicContact CG2-CG2 4.46Å; I1000-T1012 WeakPolarHBondContact CG2-OG1 3.42Å |
| 1001 | L | 94.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -19.7 | 172.5 | -161.9 | 64.6 | 0 | 0 | 0 | 112.1 | M997 M998 R1009 T1012 A1013 L1016 W1043 R1054 L1057 | M997-L1001 WeakPolarHBondContact O-CB 3.38Å; M997-L1001 PolarHBondContact O-N 3.48Å; M998-L1001 HydrophobicContact CE-CD2 4.05Å; M998-L1001 HydrophobicContact SD-CD2 4.36Å; L1001-R1009 WeakPolarHBondContact CD1-O 3.29Å; L1001-R1009 WeakPolarHBondContact O-CD 3.35Å; L1001-R1009 VanDerWaalsContact O-CG 3.25Å; L1001-R1009 WeakPolarHBondContact O-CG 3.45Å; L1001-T1012 HydrophobicContact CB-CG2 4.2Å; L1001-T1012 HydrophobicContact CD1-CG2 4.2Å; L1001-A1013 HydrophobicContact CD1-CB 3.93Å; L1001-L1016 HydrophobicContact CD2-CD1 4.24Å; L1001-W1043 HydrophobicContact CD1-CD2 3.98Å; L1001-W1043 HydrophobicContact CD1-CE3 3.6Å; L1001-W1043 HydrophobicContact CD1-CH2 4.32Å; L1001-W1043 HydrophobicContact CD1-CZ3 3.79Å; L1001-W1043 HydrophobicContact CD2-CE3 4.25Å; L1001-W1043 HydrophobicContact CD2-CH2 3.63Å; L1001-W1043 HydrophobicContact CD2-CZ2 4.34Å; L1001-W1043 HydrophobicContact CD2-CZ3 3.55Å; L1001-W1043 HydrophobicContact CG-CE3 3.8Å; L1001-W1043 HydrophobicContact CG-CH2 4.11Å; L1001-W1043 HydrophobicContact CG-CZ3 3.51Å; L1001-R1054 HydrophobicContact CB-CG 4.1Å; L1001-R1054 HydrophobicContact CD2-CB 4.37Å; L1001-R1054 HydrophobicContact CD2-CG 4Å; L1001-R1054 HydrophobicContact CG-CG 4.25Å; L1001-L1057 HydrophobicContact CD2-CD1 3.72Å |
| 1002 | G | 91.6 | Very high | 94.7 | Very high | 15 Ų | 15 | 33.2 Ų | 33.2 | 16% | 0.155 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 14.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | I999 I1000 I1047 | I999-G1002 WeakPolarHBondContact O-CA 3.42Å; I999-G1002 PolarHBondContact O-N 3.19Å; I999-G1002 VanDerWaalsContact O-N 3.11Å; I1000-G1002 PolarHBondContact O-N 3.31Å; I1000-G1002 VanDerWaalsContact O-N 3.17Å; G1002-I1047 WeakPolarHBondContact O-CD1 3.47Å |
| 1003 | S | 91.8 | Very high | 94.8 | Very high | 21 Ų | 21 | 29.7 Ų | 29.7 | 15% | 0.147 | 15% | 0.15 | C | C | . | . | trans | -60.5 | 148.7 | -179.7 | 177 | 0 | 0 | 0 | 0 | 111.8 | I1000 Y1005 R1009 | I1000-S1003 WeakPolarHBondContact O-CA 3.33Å; I1000-S1003 WeakPolarHBondContact O-CB 3.29Å; I1000-S1003 PolarHBondContact O-N 2.88Å; S1003-Y1005 PolarHBondContact O-N 2.87Å; S1003-Y1005 PolarHBondContact OG-N 2.66Å; S1003-Y1005 VanDerWaalsContact OG-N 3.17Å; S1003-R1009 VanDerWaalsContact O-CD 3.25Å; S1003-R1009 WeakPolarHBondContact O-CD 3.3Å; S1003-R1009 WeakPolarHBondContact O-CG 3.38Å; S1003-R1009 PolarHBondContact O-NH1 3.27Å | ||
| 1004 | R | 89.9 | Confident | 94.9 | Very high | 151 Ų | 151 | 32.8 Ų | 32.8 | 57% | 0.57 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -65.7 | -20.2 | 171.6 | 67.7 | -179 | -179.1 | -178.5 | 0.3 | 113.5 | P1006 | R1004-P1006 WeakPolarHBondContact O-CD 3.29Š|
| 1005 | Y | 92.9 | Very high | 94.8 | Very high | 62 Ų | 62 | 34.3 Ų | 34.3 | 24% | 0.243 | 18% | 0.176 | C | C | . | . | trans | -92.3 | 115.5 | -177 | -61.9 | -73.7 | 0 | 0 | 0 | 110.6 | S1003 I1007 I1008 R1009 | S1003-Y1005 PolarHBondContact O-N 2.87Å; S1003-Y1005 PolarHBondContact OG-N 2.66Å; S1003-Y1005 VanDerWaalsContact OG-N 3.17Å; Y1005-I1007 VanDerWaalsContact C-N 3.33Å; Y1005-I1007 PolarHBondContact O-N 2.9Å; Y1005-I1008 HydrophobicContact CD2-CG1 4.49Å; Y1005-I1008 HydrophobicContact CG-CG1 4.46Å; Y1005-I1008 WeakPolarHBondContact O-CB 3.43Å; Y1005-I1008 PolarHBondContact O-N 3.19Å; Y1005-I1008 VanDerWaalsContact O-N 3.1Å; Y1005-R1009 PolarHBondContact O-N 3.12Å | ||
| 1006 | P | 93.7 | Very high | 94.8 | Very high | 54 Ų | 54 | 33.3 Ų | 33.3 | 35% | 0.351 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -52.7 | -45.5 | -180 | -29.9 | 37.3 | 0 | 0 | 0 | 114.2 | R1004 I1008 R1009 K1010 E1044 | R1004-P1006 WeakPolarHBondContact O-CD 3.29Å; P1006-I1008 VanDerWaalsContact C-N 3.25Å; P1006-I1008 PolarHBondContact O-N 3.4Å; P1006-R1009 PolarHBondContact O-N 3.12Å; P1006-R1009 VanDerWaalsContact O-N 3.14Å; P1006-K1010 PolarHBondContact O-N 2.85Å; P1006-E1044 HydrophobicContact CB-CB 4.06Å; P1006-E1044 HydrophobicContact CB-CG 4.23Å |
| 1007 | I | 94.5 | Very high | 94.8 | Very high | 90 Ų | 90 | 37.1 Ų | 37.1 | 46% | 0.462 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -61 | -35.3 | -179.1 | -62.5 | 171.3 | 0 | 0 | 0 | 111.9 | Y1005 A1011 | Y1005-I1007 VanDerWaalsContact C-N 3.33Å; Y1005-I1007 PolarHBondContact O-N 2.9Å; I1007-A1011 WeakPolarHBondContact O-CB 3.45Å; I1007-A1011 PolarHBondContact O-N 2.68Å |
| 1008 | I | 95.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -70.3 | -40.9 | 178.7 | -68.7 | -53.5 | 0 | 0 | 0 | 110.6 | V969 I972 K973 I976 I1000 Y1005 P1006 A1011 T1012 | V969-I1008 HydrophobicContact CG1-CD1 3.79Å; V969-I1008 HydrophobicContact CG1-CG1 4.39Å; I972-I1008 HydrophobicContact CB-CD1 3.75Å; I972-I1008 HydrophobicContact CB-CG1 4.41Å; I972-I1008 HydrophobicContact CG2-CB 4.49Å; I972-I1008 HydrophobicContact CG2-CD1 3.64Å; I972-I1008 HydrophobicContact CG2-CG1 4.06Å; I972-I1008 HydrophobicContact CG2-CG2 3.63Å; K973-I1008 HydrophobicContact CG-CD1 3.92Å; I976-I1008 HydrophobicContact CD1-CG2 4.11Å; I1000-I1008 HydrophobicContact CG2-CG2 3.33Å; Y1005-I1008 HydrophobicContact CD2-CG1 4.49Å; Y1005-I1008 HydrophobicContact CG-CG1 4.46Å; Y1005-I1008 WeakPolarHBondContact O-CB 3.43Å; Y1005-I1008 PolarHBondContact O-N 3.19Å; Y1005-I1008 VanDerWaalsContact O-N 3.1Å; P1006-I1008 VanDerWaalsContact C-N 3.25Å; P1006-I1008 PolarHBondContact O-N 3.4Å; I1008-A1011 PolarHBondContact O-N 3.07Å; I1008-T1012 WeakPolarHBondContact O-CB 3.44Å; I1008-T1012 PolarHBondContact O-N 3.19Å; I1008-T1012 PolarHBondContact O-OG1 3.36Å |
| 1009 | R | 96.1 | Very high | 94.4 | Very high | 5 Ų | 5 | 42.1 Ų | 42.1 | 2% | 0.019 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.7 | -45.5 | 176.4 | -59.8 | -168.9 | -62.9 | -98.8 | 1.8 | 111.1 | L1001 S1003 Y1005 P1006 T1012 A1013 W1043 E1044 G1045 | L1001-R1009 WeakPolarHBondContact CD1-O 3.29Å; L1001-R1009 WeakPolarHBondContact O-CD 3.35Å; L1001-R1009 VanDerWaalsContact O-CG 3.25Å; L1001-R1009 WeakPolarHBondContact O-CG 3.45Å; S1003-R1009 VanDerWaalsContact O-CD 3.25Å; S1003-R1009 WeakPolarHBondContact O-CD 3.3Å; S1003-R1009 WeakPolarHBondContact O-CG 3.38Å; S1003-R1009 PolarHBondContact O-NH1 3.27Å; Y1005-R1009 PolarHBondContact O-N 3.12Å; P1006-R1009 PolarHBondContact O-N 3.12Å; P1006-R1009 VanDerWaalsContact O-N 3.14Å; R1009-T1012 PolarHBondContact O-N 2.86Å; R1009-A1013 WeakPolarHBondContact O-CB 3.24Å; R1009-A1013 PolarHBondContact O-N 3.48Å; R1009-W1043 HydrophobicContact CB-CB 4.18Å; R1009-W1043 PolarHBondContact NE-O 3.45Å; R1009-W1043 PolarHBondContact NH2-O 3.17Å; R1009-E1044 PolarHBondContact NH2-O 2.92Å; R1009-G1045 PolarHBondContact NH2-O 3.49Å |
| 1010 | K | 95.5 | Very high | 94.3 | Very high | 98 Ų | 98 | 39.4 Ų | 39.4 | 43% | 0.426 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.4 | -46.7 | 175.5 | -179 | 172.7 | -173.3 | 169 | 0 | 112.8 | P1006 T1012 A1013 T1014 E1044 | P1006-K1010 PolarHBondContact O-N 2.85Å; K1010-T1012 VanDerWaalsContact C-N 3.33Å; K1010-T1012 PolarHBondContact O-N 3.45Å; K1010-A1013 PolarHBondContact O-N 2.73Å; K1010-T1014 WeakPolarHBondContact O-CB 3.49Å; K1010-T1014 PolarHBondContact O-N 3.49Å; K1010-T1014 PolarHBondContact O-OG1 3.23Å; K1010-E1044 HydrophobicContact CB-CG 4.05Å; K1010-E1044 VanDerWaalsContact CD-CD 3.42Å; K1010-E1044 HydrophobicContact CD-CG 3.89Å; K1010-E1044 WeakPolarHBondContact CD-OE2 3.49Å; K1010-E1044 IonicContact NZ-OE1 2.95Å; K1010-E1044 IonicContact NZ-OE2 3.64Å; K1010-E1044 PolarHBondContact NZ-OE2 2.83Å |
| 1011 | A | 95.8 | Very high | 94 | Very high | 25 Ų | 25 | 44.2 Ų | 44.2 | 21% | 0.207 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.5 | -45 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | K973 I976 I1007 I1008 A1013 T1014 E1015 | K973-A1011 HydrophobicContact CG-CB 4.48Å; I976-A1011 HydrophobicContact CD1-CB 4.11Å; I1007-A1011 WeakPolarHBondContact O-CB 3.45Å; I1007-A1011 PolarHBondContact O-N 2.68Å; I1008-A1011 PolarHBondContact O-N 3.07Å; A1011-A1013 PolarHBondContact O-N 2.91Å; A1011-T1014 PolarHBondContact O-N 2.89Å; A1011-E1015 WeakPolarHBondContact O-CB 3.23Å; A1011-E1015 PolarHBondContact O-N 3.02Å |
| 1012 | T | 97.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.5 | -41.8 | 177.6 | -48.6 | 0 | 0 | 0 | 0 | 112.2 | I976 M997 I1000 L1001 I1008 R1009 K1010 L1016 | I976-T1012 VanDerWaalsContact CD1-OG1 3.24Å; I976-T1012 WeakPolarHBondContact CD1-OG1 3.4Å; M997-T1012 HydrophobicContact CB-CG2 3.97Å; M997-T1012 HydrophobicContact CE-CG2 4.3Å; M997-T1012 HydrophobicContact CG-CG2 4.45Å; M997-T1012 WeakPolarHBondContact O-CG2 3.48Å; I1000-T1012 HydrophobicContact CB-CG2 4.35Å; I1000-T1012 HydrophobicContact CG2-CG2 4.46Å; I1000-T1012 WeakPolarHBondContact CG2-OG1 3.42Å; L1001-T1012 HydrophobicContact CB-CG2 4.2Å; L1001-T1012 HydrophobicContact CD1-CG2 4.2Å; I1008-T1012 WeakPolarHBondContact O-CB 3.44Å; I1008-T1012 PolarHBondContact O-N 3.19Å; I1008-T1012 PolarHBondContact O-OG1 3.36Å; R1009-T1012 PolarHBondContact O-N 2.86Å; K1010-T1012 VanDerWaalsContact C-N 3.33Å; K1010-T1012 PolarHBondContact O-N 3.45Å; T1012-L1016 HydrophobicContact CG2-CD1 4.12Å; T1012-L1016 WeakPolarHBondContact O-CB 3.38Å; T1012-L1016 VanDerWaalsContact O-CG 3.29Å; T1012-L1016 WeakPolarHBondContact O-CG 3.43Å; T1012-L1016 PolarHBondContact O-N 3Å |
| 1013 | A | 96.3 | Very high | 93.6 | Very high | 3 Ų | 3 | 50.8 Ų | 50.8 | 3% | 0.025 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.2 | -38.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1001 R1009 K1010 A1011 Y1017 L1038 W1043 | L1001-A1013 HydrophobicContact CD1-CB 3.93Å; R1009-A1013 WeakPolarHBondContact O-CB 3.24Å; R1009-A1013 PolarHBondContact O-N 3.48Å; K1010-A1013 PolarHBondContact O-N 2.73Å; A1011-A1013 PolarHBondContact O-N 2.91Å; A1013-Y1017 WeakPolarHBondContact O-CB 3.44Å; A1013-Y1017 PolarHBondContact O-N 2.84Å; A1013-L1038 HydrophobicContact CB-CD2 4.38Å; A1013-W1043 HydrophobicContact CB-CD2 3.87Å; A1013-W1043 HydrophobicContact CB-CG 3.67Å; A1013-W1043 VanDerWaalsContact CB-NE1 3.28Å |
| 1014 | T | 96.1 | Very high | 93.4 | Very high | 64 Ų | 64 | 57.2 Ų | 57.2 | 39% | 0.393 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.4 | -48.8 | 176.7 | -51.3 | 0 | 0 | 0 | 0 | 109.8 | K1010 A1011 L1016 Y1017 E1018 | K1010-T1014 WeakPolarHBondContact O-CB 3.49Å; K1010-T1014 PolarHBondContact O-N 3.49Å; K1010-T1014 PolarHBondContact O-OG1 3.23Å; A1011-T1014 PolarHBondContact O-N 2.89Å; T1014-L1016 PolarHBondContact O-N 3.09Å; T1014-Y1017 WeakPolarHBondContact O-CB 3.44Å; T1014-Y1017 PolarHBondContact O-N 3.15Å; T1014-Y1017 VanDerWaalsContact O-N 3.1Å; T1014-E1018 WeakPolarHBondContact O-CG 3.4Å; T1014-E1018 PolarHBondContact O-N 3.45Å |
| 1015 | E | 95.6 | Very high | 93.3 | Very high | 37 Ų | 37 | 50.9 Ų | 50.9 | 17% | 0.173 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.4 | -42 | 177.7 | -168.4 | 61.4 | -150.1 | 0 | 0 | 112.4 | I976 M997 A1011 Y1017 E1018 G1019 | I976-E1015 HydrophobicContact CG2-CB 3.59Å; I976-E1015 HydrophobicContact CG2-CG 3.77Å; M997-E1015 HydrophobicContact CE-CB 3.85Å; M997-E1015 HydrophobicContact CE-CG 3.67Å; A1011-E1015 WeakPolarHBondContact O-CB 3.23Å; A1011-E1015 PolarHBondContact O-N 3.02Å; E1015-Y1017 VanDerWaalsContact C-N 3.31Å; E1015-Y1017 PolarHBondContact O-N 3.11Å; E1015-E1018 PolarHBondContact O-N 3.48Å; E1015-G1019 PolarHBondContact O-N 3.24Å |
| 1016 | L | 95.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.3 | -37.6 | 174.5 | -79.2 | 167.4 | 0 | 0 | 0 | 112.2 | L983 L994 M997 M998 L1001 T1012 T1014 L1020 L1038 | L983-L1016 HydrophobicContact CD1-CD2 4.24Å; L994-L1016 HydrophobicContact CD2-CD2 3.96Å; M997-L1016 HydrophobicContact CB-CD1 4.4Å; M997-L1016 HydrophobicContact CB-CD2 4.21Å; M997-L1016 HydrophobicContact CB-CG 4.45Å; M997-L1016 HydrophobicContact CE-CD2 3.85Å; M997-L1016 HydrophobicContact CE-CG 3.67Å; M997-L1016 HydrophobicContact SD-CD2 3.65Å; M997-L1016 HydrophobicContact SD-CG 4.14Å; M998-L1016 HydrophobicContact CE-CD1 3.42Å; M998-L1016 VanDerWaalsContact CE-CD1 3.42Å; M998-L1016 HydrophobicContact CE-CD2 4.3Å; L1001-L1016 HydrophobicContact CD2-CD1 4.24Å; T1012-L1016 HydrophobicContact CG2-CD1 4.12Å; T1012-L1016 WeakPolarHBondContact O-CB 3.38Å; T1012-L1016 VanDerWaalsContact O-CG 3.29Å; T1012-L1016 WeakPolarHBondContact O-CG 3.43Å; T1012-L1016 PolarHBondContact O-N 3Å; T1014-L1016 PolarHBondContact O-N 3.09Å; L1016-L1020 VanDerWaalsContact O-CB 3.27Å; L1016-L1020 WeakPolarHBondContact O-CB 3.49Å; L1016-L1020 PolarHBondContact O-N 3Å; L1016-L1038 HydrophobicContact CB-CD1 4.07Å; L1016-L1038 HydrophobicContact CB-CD2 4.09Å; L1016-L1038 HydrophobicContact CD1-CD2 4.3Å |
| 1017 | Y | 95.1 | Very high | 92.7 | Very high | 80 Ų | 80 | 48.9 Ų | 48.9 | 31% | 0.314 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -69.4 | -44.6 | 178.3 | 178 | -109.3 | 0 | 0 | 0 | 111.1 | A1013 T1014 E1015 L1020 L1021 L1038 T1039 | A1013-Y1017 WeakPolarHBondContact O-CB 3.44Å; A1013-Y1017 PolarHBondContact O-N 2.84Å; T1014-Y1017 WeakPolarHBondContact O-CB 3.44Å; T1014-Y1017 PolarHBondContact O-N 3.15Å; T1014-Y1017 VanDerWaalsContact O-N 3.1Å; E1015-Y1017 VanDerWaalsContact C-N 3.31Å; E1015-Y1017 PolarHBondContact O-N 3.11Å; Y1017-L1020 WeakPolarHBondContact O-CB 3.25Å; Y1017-L1020 PolarHBondContact O-N 3.09Å; Y1017-L1020 VanDerWaalsContact O-N 3.15Å; Y1017-L1021 HydrophobicContact CD1-CD1 4.15Å; Y1017-L1021 HydrophobicContact CE1-CD1 3.64Å; Y1017-L1021 HydrophobicContact CE1-CG 4.33Å; Y1017-L1021 HydrophobicContact CE2-CD2 4.39Å; Y1017-L1021 HydrophobicContact CE2-CG 4.43Å; Y1017-L1021 WeakPolarHBondContact O-CG 3.33Å; Y1017-L1021 PolarHBondContact O-N 2.86Å; Y1017-L1038 HydrophobicContact CD2-CB 4.47Å; Y1017-T1039 HydrophobicContact CD1-CG2 4.46Å; Y1017-T1039 HydrophobicContact CD2-CG2 3.83Å; Y1017-T1039 HydrophobicContact CE1-CG2 4.27Å; Y1017-T1039 HydrophobicContact CE2-CG2 3.63Å; Y1017-T1039 HydrophobicContact CG-CG2 4.24Å |
| 1018 | E | 93.4 | Very high | 92.3 | Very high | 101 Ų | 101 | 49.1 Ų | 49.1 | 47% | 0.472 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.4 | -47 | 173.8 | -69.9 | 179.4 | -164.3 | 0 | 0 | 111 | T1014 E1015 L1020 L1021 V1022 | T1014-E1018 WeakPolarHBondContact O-CG 3.4Å; T1014-E1018 PolarHBondContact O-N 3.45Å; E1015-E1018 PolarHBondContact O-N 3.48Å; E1018-L1020 VanDerWaalsContact C-N 3.27Å; E1018-L1020 PolarHBondContact O-N 3.18Å; E1018-L1021 PolarHBondContact O-N 3.26Å; E1018-L1021 VanDerWaalsContact O-N 3.12Å; E1018-V1022 WeakPolarHBondContact O-CG2 3.28Å; E1018-V1022 PolarHBondContact O-N 3.06Å; E1018-V1022 VanDerWaalsContact O-N 3.1Å |
| 1019 | G | 91.7 | Very high | 91.9 | Very high | 3 Ų | 3 | 57.6 Ų | 57.6 | 3% | 0.031 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.3 | -32.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | E1015 Y1023 | E1015-G1019 PolarHBondContact O-N 3.24Å; G1019-Y1023 WeakPolarHBondContact O-CA 3.41Å; G1019-Y1023 VanDerWaalsContact O-CB 3.26Å; G1019-Y1023 WeakPolarHBondContact O-CB 3.23Å; G1019-Y1023 VanDerWaalsContact O-CD2 3.24Å; G1019-Y1023 WeakPolarHBondContact O-CD2 3.37Å; G1019-Y1023 PolarHBondContact O-N 2.85Å |
| 1020 | L | 92 | Very high | 91.6 | Very high | 8 Ų | 8 | 59.4 Ų | 59.4 | 4% | 0.042 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -70.9 | -33.4 | 175.7 | -175 | 69.2 | 0 | 0 | 0 | 112.5 | L1016 Y1017 E1018 L1025 L1031 V1034 S1035 L1038 F1061 | L1016-L1020 VanDerWaalsContact O-CB 3.27Å; L1016-L1020 WeakPolarHBondContact O-CB 3.49Å; L1016-L1020 PolarHBondContact O-N 3Å; Y1017-L1020 WeakPolarHBondContact O-CB 3.25Å; Y1017-L1020 PolarHBondContact O-N 3.09Å; Y1017-L1020 VanDerWaalsContact O-N 3.15Å; E1018-L1020 VanDerWaalsContact C-N 3.27Å; E1018-L1020 PolarHBondContact O-N 3.18Å; L1020-L1025 HydrophobicContact CB-CD1 4.24Å; L1020-L1025 HydrophobicContact CD1-CB 4.01Å; L1020-L1025 HydrophobicContact CD1-CD1 4.38Å; L1020-L1025 HydrophobicContact CD1-CG 4.48Å; L1020-L1031 HydrophobicContact CD1-CD1 3.72Å; L1020-L1031 HydrophobicContact CD2-CD1 4.03Å; L1020-L1031 HydrophobicContact CG-CD1 3.63Å; L1020-V1034 HydrophobicContact CD1-CG1 4.38Å; L1020-V1034 HydrophobicContact CD2-CB 4.1Å; L1020-V1034 HydrophobicContact CD2-CG1 3.66Å; L1020-S1035 WeakPolarHBondContact CD2-OG 3.44Å; L1020-L1038 HydrophobicContact CD2-CD1 4.22Å; L1020-F1061 HydrophobicContact CD1-CE1 4.44Å |
| 1021 | L | 89 | Confident | 91.3 | Very high | 111 Ų | 111 | 57.9 Ų | 57.9 | 58% | 0.581 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -73 | -32.6 | 176.4 | -67.7 | 176.1 | 0 | 0 | 0 | 112.3 | Y1017 E1018 | Y1017-L1021 HydrophobicContact CD1-CD1 4.15Å; Y1017-L1021 HydrophobicContact CE1-CD1 3.64Å; Y1017-L1021 HydrophobicContact CE1-CG 4.33Å; Y1017-L1021 HydrophobicContact CE2-CD2 4.39Å; Y1017-L1021 HydrophobicContact CE2-CG 4.43Å; Y1017-L1021 WeakPolarHBondContact O-CG 3.33Å; Y1017-L1021 PolarHBondContact O-N 2.86Å; E1018-L1021 PolarHBondContact O-N 3.26Å; E1018-L1021 VanDerWaalsContact O-N 3.12Å |
| 1022 | V | 88.4 | Confident | 91 | Very high | 106 Ų | 106 | 63 Ų | 63 | 64% | 0.642 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -93.7 | -36.4 | -175.7 | -175.8 | 0 | 0 | 0 | 0 | 112.1 | E1018 | E1018-V1022 WeakPolarHBondContact O-CG2 3.28Å; E1018-V1022 PolarHBondContact O-N 3.06Å; E1018-V1022 VanDerWaalsContact O-N 3.1Å |
| 1023 | Y | 89 | Confident | 90.7 | Very high | 48 Ų | 48 | 67 Ų | 67 | 19% | 0.188 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -117 | 142.6 | -173.4 | -44.2 | -54.4 | 0 | 0 | 0 | 111.8 | L983 Q984 G1019 L1025 | L983-Y1023 HydrophobicContact CB-CD2 3.95Å; L983-Y1023 HydrophobicContact CB-CE2 4.28Å; Q984-Y1023 HydrophobicContact CB-CD1 3.81Å; Q984-Y1023 HydrophobicContact CB-CD2 4.5Å; Q984-Y1023 HydrophobicContact CB-CE1 3.41Å; Q984-Y1023 VanDerWaalsContact CB-CE1 3.41Å; Q984-Y1023 HydrophobicContact CB-CE2 4.16Å; Q984-Y1023 HydrophobicContact CB-CG 4.35Å; G1019-Y1023 WeakPolarHBondContact O-CA 3.41Å; G1019-Y1023 VanDerWaalsContact O-CB 3.26Å; G1019-Y1023 WeakPolarHBondContact O-CB 3.23Å; G1019-Y1023 VanDerWaalsContact O-CD2 3.24Å; G1019-Y1023 WeakPolarHBondContact O-CD2 3.37Å; G1019-Y1023 PolarHBondContact O-N 2.85Å; Y1023-L1025 VanDerWaalsContact C-N 3.29Å; Y1023-L1025 PolarHBondContact O-N 2.84Å |
| 1024 | E | 87.4 | Confident | 90.6 | Very high | 156 Ų | 156 | 66.9 Ų | 66.9 | 73% | 0.729 | 35% | 0.348 | S | S | * | . | trans | -74.2 | 81.7 | 173.1 | -164.8 | 178 | -173.7 | 0 | 0 | 110.3 | R990 | R990-E1024 PolarHBondContact NH1-O 3.22Š| ||
| 1025 | L | 88.6 | Confident | 90.4 | Very high | 18 Ų | 18 | 64.8 Ų | 64.8 | 9% | 0.094 | 34% | 0.336 | C | S | . | . | trans | -83.1 | -28 | -176.6 | -59.7 | -175.8 | 0 | 0 | 0 | 113.5 | L983 R990 L1020 Y1023 F1061 | L983-L1025 HydrophobicContact CB-CD2 4Å; L983-L1025 HydrophobicContact CD1-CD1 4.02Å; R990-L1025 HydrophobicContact CG-CD2 4.48Å; L1020-L1025 HydrophobicContact CB-CD1 4.24Å; L1020-L1025 HydrophobicContact CD1-CB 4.01Å; L1020-L1025 HydrophobicContact CD1-CD1 4.38Å; L1020-L1025 HydrophobicContact CD1-CG 4.48Å; Y1023-L1025 VanDerWaalsContact C-N 3.29Å; Y1023-L1025 PolarHBondContact O-N 2.84Å; L1025-F1061 HydrophobicContact CB-CD1 4.45Å; L1025-F1061 HydrophobicContact CB-CE1 3.93Å; L1025-F1061 HydrophobicContact CD1-CE1 4.46Å | ||
| 1026 | C | 87 | Confident | 90.2 | Very high | 11 Ų | 11 | 64.9 Ų | 64.9 | 7% | 0.074 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -141.5 | 162.6 | 178.6 | 64.3 | 0 | 0 | 0 | 0 | 110.5 | L1030 F1061 | C1026-L1030 HydrophobicContact CB-CB 4.48Å; C1026-F1061 HydrophobicContact CB-CD1 4.36Å; C1026-F1061 HydrophobicContact CB-CE1 4.43Å |
| 1027 | P | 86.8 | Confident | 90.1 | Very high | 62 Ų | 62 | 65.8 Ų | 65.8 | 40% | 0.403 | 35% | 0.345 | S | S | . | . | trans | -55.1 | 145.5 | 174.3 | -24.1 | 33.6 | 0 | 0 | 0 | 112 | E1029 L1030 | P1027-E1029 PolarHBondContact O-N 2.87Å; P1027-L1030 PolarHBondContact O-N 3.29Å | ||
| 1028 | S | 84.9 | Confident | 90 | Very high | 96 Ų | 96 | 62.3 Ų | 62.3 | 67% | 0.671 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -53 | -30.9 | -178.2 | 55.3 | 0 | 0 | 0 | 0 | 114.1 | L1030 L1031 | S1028-L1030 VanDerWaalsContact C-N 3.26Å; S1028-L1030 PolarHBondContact O-N 2.75Å; S1028-L1031 WeakPolarHBondContact O-CB 3.34Å; S1028-L1031 PolarHBondContact O-N 2.94Å |
| 1029 | E | 88.6 | Confident | 90 | Very high | 178 Ų | 178 | 61.3 Ų | 61.3 | 83% | 0.832 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -65.6 | -25.1 | 177.5 | -61.3 | 171.7 | -173 | 0 | 0 | 113.6 | P1027 | P1027-E1029 PolarHBondContact O-N 2.87Š|
| 1030 | L | 89.6 | Confident | 90.1 | Very high | 42 Ų | 42 | 68 Ų | 68 | 22% | 0.22 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -98.4 | -7.5 | -179.2 | -59 | -176.6 | 0 | 0 | 0 | 112.8 | C1026 P1027 S1028 D1032 Q1033 V1034 L1060 | C1026-L1030 HydrophobicContact CB-CB 4.48Å; P1027-L1030 PolarHBondContact O-N 3.29Å; S1028-L1030 VanDerWaalsContact C-N 3.26Å; S1028-L1030 PolarHBondContact O-N 2.75Å; L1030-D1032 PolarHBondContact O-N 3.25Å; L1030-Q1033 PolarHBondContact O-N 2.91Å; L1030-V1034 HydrophobicContact CB-CG2 4.42Å; L1030-V1034 WeakPolarHBondContact O-CG2 3.49Å; L1030-V1034 PolarHBondContact O-N 3.17Å; L1030-L1060 HydrophobicContact CD1-CD2 4.16Å; L1030-L1060 HydrophobicContact CD2-CD2 4.1Å |
| 1031 | L | 88.8 | Confident | 90.1 | Very high | 66 Ų | 66 | 68.7 Ų | 68.7 | 35% | 0.346 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.5 | -48.8 | -171.6 | -175.2 | 68.7 | 0 | 0 | 0 | 112.2 | L1020 S1028 Q1033 V1034 S1035 | L1020-L1031 HydrophobicContact CD1-CD1 3.72Å; L1020-L1031 HydrophobicContact CD2-CD1 4.03Å; L1020-L1031 HydrophobicContact CG-CD1 3.63Å; S1028-L1031 WeakPolarHBondContact O-CB 3.34Å; S1028-L1031 PolarHBondContact O-N 2.94Å; L1031-Q1033 VanDerWaalsContact C-N 3.33Å; L1031-Q1033 PolarHBondContact O-N 3.39Å; L1031-V1034 PolarHBondContact O-N 2.92Å; L1031-S1035 WeakPolarHBondContact O-CB 3.46Å; L1031-S1035 PolarHBondContact O-N 3.35Å; L1031-S1035 PolarHBondContact O-OG 3.08Å |
| 1032 | D | 89 | Confident | 90.3 | Very high | 133 Ų | 133 | 69.8 Ų | 69.8 | 71% | 0.711 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -63.9 | -40.1 | 179.5 | -69.9 | -24.7 | 0 | 0 | 0 | 111.5 | L1030 S1036 | L1030-D1032 PolarHBondContact O-N 3.25Å; D1032-S1036 VanDerWaalsContact O-CB 3.28Å; D1032-S1036 WeakPolarHBondContact O-CB 3.35Å; D1032-S1036 PolarHBondContact O-N 2.99Å |
| 1033 | Q | 92.5 | Very high | 90.6 | Very high | 84 Ų | 84 | 65.3 Ų | 65.3 | 39% | 0.393 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.8 | -48.6 | 179.1 | -174.1 | -178.3 | 17.4 | 0 | 0 | 111.5 | L1030 L1031 I1037 L1060 | L1030-Q1033 PolarHBondContact O-N 2.91Å; L1031-Q1033 VanDerWaalsContact C-N 3.33Å; L1031-Q1033 PolarHBondContact O-N 3.39Å; Q1033-I1037 HydrophobicContact CG-CD1 4.18Å; Q1033-I1037 WeakPolarHBondContact O-CD1 3.25Å; Q1033-I1037 VanDerWaalsContact O-CG1 3.25Å; Q1033-I1037 WeakPolarHBondContact O-CG1 2.95Å; Q1033-I1037 PolarHBondContact O-N 3.31Å; Q1033-L1060 HydrophobicContact CG-CD1 4.29Å |
| 1034 | V | 92.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 178.8 | 175.7 | 0 | 0 | 0 | 0 | 110.5 | L1020 L1030 L1031 I1037 L1038 L1057 L1060 F1061 | L1020-V1034 HydrophobicContact CD1-CG1 4.38Å; L1020-V1034 HydrophobicContact CD2-CB 4.1Å; L1020-V1034 HydrophobicContact CD2-CG1 3.66Å; L1030-V1034 HydrophobicContact CB-CG2 4.42Å; L1030-V1034 WeakPolarHBondContact O-CG2 3.49Å; L1030-V1034 PolarHBondContact O-N 3.17Å; L1031-V1034 PolarHBondContact O-N 2.92Å; V1034-I1037 PolarHBondContact O-N 3.28Å; V1034-L1038 HydrophobicContact CG1-CD1 3.99Å; V1034-L1038 HydrophobicContact CG1-CG 4.45Å; V1034-L1038 WeakPolarHBondContact O-CG 3.47Å; V1034-L1038 PolarHBondContact O-N 3.24Å; V1034-L1057 HydrophobicContact CG1-CD2 4.05Å; V1034-L1060 HydrophobicContact CG2-CB 4Å; V1034-L1060 HydrophobicContact CG2-CD1 3.89Å; V1034-L1060 HydrophobicContact CG2-CG 4.48Å; V1034-F1061 HydrophobicContact CG1-CE1 4.06Å; V1034-F1061 HydrophobicContact CG1-CE2 3.99Å; V1034-F1061 HydrophobicContact CG1-CZ 3.43Å; V1034-F1061 VanDerWaalsContact CG1-CZ 3.43Å |
| 1035 | S | 91.5 | Very high | 90.9 | Very high | 20 Ų | 20 | 61.3 Ų | 61.3 | 14% | 0.14 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.7 | -50.9 | 177.6 | -63.7 | 0 | 0 | 0 | 0 | 111.4 | L1020 L1031 I1037 L1038 T1039 | L1020-S1035 WeakPolarHBondContact CD2-OG 3.44Å; L1031-S1035 WeakPolarHBondContact O-CB 3.46Å; L1031-S1035 PolarHBondContact O-N 3.35Å; L1031-S1035 PolarHBondContact O-OG 3.08Å; S1035-I1037 VanDerWaalsContact C-N 3.33Å; S1035-I1037 PolarHBondContact O-N 3.3Å; S1035-L1038 PolarHBondContact O-N 2.89Å; S1035-L1038 VanDerWaalsContact O-N 3.16Å; S1035-T1039 PolarHBondContact O-N 3.04Å; S1035-T1039 PolarHBondContact O-OG1 3.21Å |
| 1036 | S | 91.9 | Very high | 91.1 | Very high | 40 Ų | 40 | 65.3 Ų | 65.3 | 28% | 0.28 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -56.6 | -45.5 | 176.6 | 170.7 | 0 | 0 | 0 | 0 | 111.4 | D1032 L1038 T1039 E1040 | D1032-S1036 VanDerWaalsContact O-CB 3.28Å; D1032-S1036 WeakPolarHBondContact O-CB 3.35Å; D1032-S1036 PolarHBondContact O-N 2.99Å; S1036-L1038 PolarHBondContact O-N 3.1Å; S1036-T1039 PolarHBondContact O-N 2.89Å; S1036-T1039 PolarHBondContact O-OG1 3.14Å; S1036-E1040 WeakPolarHBondContact O-CB 3.41Å; S1036-E1040 WeakPolarHBondContact O-CG 3.36Å; S1036-E1040 PolarHBondContact O-N 3.42Å; S1036-E1040 PolarHBondContact OG-OE1 3.02Å |
| 1037 | I | 93.8 | Very high | 91.2 | Very high | 18 Ų | 18 | 66.7 Ų | 66.7 | 9% | 0.092 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.6 | -46 | 176.8 | -66.8 | 164.7 | 0 | 0 | 0 | 111.3 | Q1033 V1034 S1035 T1041 W1043 I1053 Q1056 L1057 L1060 | Q1033-I1037 HydrophobicContact CG-CD1 4.18Å; Q1033-I1037 WeakPolarHBondContact O-CD1 3.25Å; Q1033-I1037 VanDerWaalsContact O-CG1 3.25Å; Q1033-I1037 WeakPolarHBondContact O-CG1 2.95Å; Q1033-I1037 PolarHBondContact O-N 3.31Å; V1034-I1037 PolarHBondContact O-N 3.28Å; S1035-I1037 VanDerWaalsContact C-N 3.33Å; S1035-I1037 PolarHBondContact O-N 3.3Å; I1037-T1041 WeakPolarHBondContact O-CB 3.41Å; I1037-T1041 PolarHBondContact O-N 3.47Å; I1037-T1041 PolarHBondContact O-OG1 2.92Å; I1037-W1043 HydrophobicContact CG2-CZ2 4.36Å; I1037-I1053 HydrophobicContact CG2-CG2 3.51Å; I1037-Q1056 HydrophobicContact CD1-CG 4.3Å; I1037-L1057 HydrophobicContact CB-CD2 4.05Å; I1037-L1057 HydrophobicContact CD1-CD2 4.24Å; I1037-L1057 HydrophobicContact CG2-CD1 4.02Å; I1037-L1057 HydrophobicContact CG2-CD2 3.69Å; I1037-L1057 HydrophobicContact CG2-CG 3.77Å; I1037-L1060 HydrophobicContact CD1-CD1 3.63Å |
| 1038 | L | 93.8 | Very high | 91.4 | Very high | 7 Ų | 7 | 70.6 Ų | 70.6 | 4% | 0.037 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.9 | -36.5 | -179.5 | -72 | 172.6 | 0 | 0 | 0 | 112.5 | A1013 L1016 Y1017 L1020 V1034 S1035 S1036 W1043 L1057 | A1013-L1038 HydrophobicContact CB-CD2 4.38Å; L1016-L1038 HydrophobicContact CB-CD1 4.07Å; L1016-L1038 HydrophobicContact CB-CD2 4.09Å; L1016-L1038 HydrophobicContact CD1-CD2 4.3Å; Y1017-L1038 HydrophobicContact CD2-CB 4.47Å; L1020-L1038 HydrophobicContact CD2-CD1 4.22Å; V1034-L1038 HydrophobicContact CG1-CD1 3.99Å; V1034-L1038 HydrophobicContact CG1-CG 4.45Å; V1034-L1038 WeakPolarHBondContact O-CG 3.47Å; V1034-L1038 PolarHBondContact O-N 3.24Å; S1035-L1038 PolarHBondContact O-N 2.89Å; S1035-L1038 VanDerWaalsContact O-N 3.16Å; S1036-L1038 PolarHBondContact O-N 3.1Å; L1038-W1043 HydrophobicContact CD2-CZ2 4.12Å; L1038-W1043 PolarHBondContact O-NE1 3.44Å; L1038-L1057 HydrophobicContact CD2-CD1 3.82Å |
| 1039 | T | 93.1 | Very high | 91.6 | Very high | 80 Ų | 80 | 69 Ų | 69 | 49% | 0.491 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -89.5 | -36.4 | -175.8 | 55.8 | 0 | 0 | 0 | 0 | 114.4 | Y1017 S1035 S1036 | Y1017-T1039 HydrophobicContact CD1-CG2 4.46Å; Y1017-T1039 HydrophobicContact CD2-CG2 3.83Å; Y1017-T1039 HydrophobicContact CE1-CG2 4.27Å; Y1017-T1039 HydrophobicContact CE2-CG2 3.63Å; Y1017-T1039 HydrophobicContact CG-CG2 4.24Å; S1035-T1039 PolarHBondContact O-N 3.04Å; S1035-T1039 PolarHBondContact O-OG1 3.21Å; S1036-T1039 PolarHBondContact O-N 2.89Å; S1036-T1039 PolarHBondContact O-OG1 3.14Å |
| 1040 | E | 92.8 | Very high | 91.9 | Very high | 144 Ų | 144 | 60.6 Ų | 60.6 | 67% | 0.673 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -87.5 | -23.1 | -174.9 | -63.9 | 177.1 | -151.5 | 0 | 0 | 112.8 | S1036 I1042 | S1036-E1040 WeakPolarHBondContact O-CB 3.41Å; S1036-E1040 WeakPolarHBondContact O-CG 3.36Å; S1036-E1040 PolarHBondContact O-N 3.42Å; S1036-E1040 PolarHBondContact OG-OE1 3.02Å; E1040-I1042 PolarHBondContact O-N 3.12Å |
| 1041 | T | 93.1 | Very high | 92 | Very high | 23 Ų | 23 | 64.4 Ų | 64.4 | 14% | 0.141 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -69.6 | 126.1 | 177.3 | -59.6 | 0 | 0 | 0 | 0 | 110.5 | I1037 W1043 I1053 | I1037-T1041 WeakPolarHBondContact O-CB 3.41Å; I1037-T1041 PolarHBondContact O-N 3.47Å; I1037-T1041 PolarHBondContact O-OG1 2.92Å; T1041-W1043 VanDerWaalsContact C-N 3.27Å; T1041-W1043 HydrophobicContact CG2-CD2 3.8Å; T1041-W1043 HydrophobicContact CG2-CE3 4Å; T1041-W1043 HydrophobicContact CG2-CG 4.34Å; T1041-W1043 HydrophobicContact CG2-CH2 4.04Å; T1041-W1043 HydrophobicContact CG2-CZ2 3.87Å; T1041-W1043 HydrophobicContact CG2-CZ3 4.12Å; T1041-W1043 PolarHBondContact O-N 3.34Å; T1041-W1043 PolarHBondContact O-NE1 3.08Å; T1041-I1053 HydrophobicContact CG2-CD1 3.78Å; T1041-I1053 HydrophobicContact CG2-CG2 4.16Å |
| 1042 | I | 93.1 | Very high | 92.2 | Very high | 133 Ų | 133 | 65 Ų | 65 | 68% | 0.682 | 35% | 0.35 | S | S | * | . | trans | -75.5 | 82.2 | 171.1 | -53.7 | 175.4 | 0 | 0 | 0 | 108.6 | E1040 E1044 G1045 | E1040-I1042 PolarHBondContact O-N 3.12Å; I1042-E1044 PolarHBondContact O-N 3.28Å; I1042-G1045 PolarHBondContact O-N 3.24Å | ||
| 1043 | W | 94.5 | Very high | 92.4 | Very high | 13 Ų | 13 | 61 Ų | 61 | 5% | 0.049 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -20.5 | -178.6 | -63.3 | 103.6 | 0 | 0 | 0 | 113.6 | L1001 R1009 A1013 I1037 L1038 T1041 G1045 V1050 I1053 L1057 | L1001-W1043 HydrophobicContact CD1-CD2 3.98Å; L1001-W1043 HydrophobicContact CD1-CE3 3.6Å; L1001-W1043 HydrophobicContact CD1-CH2 4.32Å; L1001-W1043 HydrophobicContact CD1-CZ3 3.79Å; L1001-W1043 HydrophobicContact CD2-CE3 4.25Å; L1001-W1043 HydrophobicContact CD2-CH2 3.63Å; L1001-W1043 HydrophobicContact CD2-CZ2 4.34Å; L1001-W1043 HydrophobicContact CD2-CZ3 3.55Å; L1001-W1043 HydrophobicContact CG-CE3 3.8Å; L1001-W1043 HydrophobicContact CG-CH2 4.11Å; L1001-W1043 HydrophobicContact CG-CZ3 3.51Å; R1009-W1043 HydrophobicContact CB-CB 4.18Å; R1009-W1043 PolarHBondContact NE-O 3.45Å; R1009-W1043 PolarHBondContact NH2-O 3.17Å; A1013-W1043 HydrophobicContact CB-CD2 3.87Å; A1013-W1043 HydrophobicContact CB-CG 3.67Å; A1013-W1043 VanDerWaalsContact CB-NE1 3.28Å; I1037-W1043 HydrophobicContact CG2-CZ2 4.36Å; L1038-W1043 HydrophobicContact CD2-CZ2 4.12Å; L1038-W1043 PolarHBondContact O-NE1 3.44Å; T1041-W1043 VanDerWaalsContact C-N 3.27Å; T1041-W1043 HydrophobicContact CG2-CD2 3.8Å; T1041-W1043 HydrophobicContact CG2-CE3 4Å; T1041-W1043 HydrophobicContact CG2-CG 4.34Å; T1041-W1043 HydrophobicContact CG2-CH2 4.04Å; T1041-W1043 HydrophobicContact CG2-CZ2 3.87Å; T1041-W1043 HydrophobicContact CG2-CZ3 4.12Å; T1041-W1043 PolarHBondContact O-N 3.34Å; T1041-W1043 PolarHBondContact O-NE1 3.08Å; W1043-G1045 VanDerWaalsContact C-N 3.26Å; W1043-G1045 PolarHBondContact O-N 3.04Å; W1043-V1050 HydrophobicContact CE3-CG1 3.55Å; W1043-V1050 HydrophobicContact CZ3-CG1 3.61Å; W1043-I1053 HydrophobicContact CH2-CG2 4.06Å; W1043-L1057 HydrophobicContact CH2-CD1 3.62Å; W1043-L1057 HydrophobicContact CZ2-CD1 4Å |
| 1044 | E | 92.1 | Very high | 92.5 | Very high | 88 Ų | 88 | 57.8 Ų | 57.8 | 41% | 0.411 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -9.2 | 175.5 | -63.5 | -179.3 | 116.4 | 0 | 0 | 113.4 | P1006 R1009 K1010 I1042 | P1006-E1044 HydrophobicContact CB-CB 4.06Å; P1006-E1044 HydrophobicContact CB-CG 4.23Å; R1009-E1044 PolarHBondContact NH2-O 2.92Å; K1010-E1044 HydrophobicContact CB-CG 4.05Å; K1010-E1044 VanDerWaalsContact CD-CD 3.42Å; K1010-E1044 HydrophobicContact CD-CG 3.89Å; K1010-E1044 WeakPolarHBondContact CD-OE2 3.49Å; K1010-E1044 IonicContact NZ-OE1 2.95Å; K1010-E1044 IonicContact NZ-OE2 3.64Å; K1010-E1044 PolarHBondContact NZ-OE2 2.83Å; I1042-E1044 PolarHBondContact O-N 3.28Å |
| 1045 | G | 91 | Very high | 92.5 | Very high | 31 Ų | 31 | 60.1 Ų | 60.1 | 32% | 0.32 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -70.7 | -167.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | R1009 I1042 W1043 I1047 | R1009-G1045 PolarHBondContact NH2-O 3.49Å; I1042-G1045 PolarHBondContact O-N 3.24Å; W1043-G1045 VanDerWaalsContact C-N 3.26Å; W1043-G1045 PolarHBondContact O-N 3.04Å; G1045-I1047 PolarHBondContact O-N 2.89Å |
| 1046 | D | 91.7 | Very high | 92.6 | Very high | 103 Ų | 103 | 62.9 Ų | 62.9 | 55% | 0.551 | 34% | 0.335 | S | S | * | . | trans | -60.9 | 134.3 | -179 | -165.2 | -20.6 | 0 | 0 | 0 | 111.6 | E1048 A1049 V1050 | D1046-E1048 PolarHBondContact O-N 3.4Å; D1046-E1048 PolarHBondContact OD1-N 3.4Å; D1046-A1049 HydrophobicContact CB-CB 4.37Å; D1046-A1049 PolarHBondContact O-N 3.42Å; D1046-A1049 VanDerWaalsContact O-N 3.12Å; D1046-V1050 WeakPolarHBondContact O-CG2 3.43Å; D1046-V1050 PolarHBondContact O-N 3.11Å | ||
| 1047 | I | 90.4 | Very high | 92.7 | Very high | 39 Ų | 39 | 61 Ų | 61 | 20% | 0.2 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.6 | -30.6 | 177.4 | -166.1 | 169.8 | 0 | 0 | 0 | 112.2 | G1002 G1045 A1049 V1050 R1051 | G1002-I1047 WeakPolarHBondContact O-CD1 3.47Å; G1045-I1047 PolarHBondContact O-N 2.89Å; I1047-A1049 VanDerWaalsContact C-N 3.34Å; I1047-V1050 PolarHBondContact O-N 3.49Å; I1047-R1051 HydrophobicContact CG1-CG 4.3Å; I1047-R1051 WeakPolarHBondContact O-CB 3.19Å; I1047-R1051 VanDerWaalsContact O-CG 3.28Å; I1047-R1051 WeakPolarHBondContact O-CG 3.43Å; I1047-R1051 PolarHBondContact O-N 3.04Å; I1047-R1051 VanDerWaalsContact O-N 3.07Å |
| 1048 | E | 90.1 | Very high | 92.7 | Very high | 144 Ų | 144 | 60.1 Ų | 60.1 | 67% | 0.673 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -69.6 | -33.1 | 177.4 | -63.1 | -163.9 | 163.5 | 0 | 0 | 112.2 | D1046 P1052 | D1046-E1048 PolarHBondContact O-N 3.4Å; D1046-E1048 PolarHBondContact OD1-N 3.4Å; E1048-P1052 WeakPolarHBondContact O-CD 3.43Å |
| 1049 | A | 90.4 | Very high | 92.6 | Very high | 62 Ų | 62 | 66.6 Ų | 66.6 | 51% | 0.512 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -77.3 | -34.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | D1046 I1047 | D1046-A1049 HydrophobicContact CB-CB 4.37Å; D1046-A1049 PolarHBondContact O-N 3.42Å; D1046-A1049 VanDerWaalsContact O-N 3.12Å; I1047-A1049 VanDerWaalsContact C-N 3.34Å |
| 1050 | V | 92.9 | Very high | 92.5 | Very high | 3 Ų | 3 | 63.9 Ų | 63.9 | 2% | 0.018 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -75.3 | -35.2 | -177.8 | 171.5 | 0 | 0 | 0 | 0 | 112.7 | W1043 D1046 I1047 I1053 R1054 | W1043-V1050 HydrophobicContact CE3-CG1 3.55Å; W1043-V1050 HydrophobicContact CZ3-CG1 3.61Å; D1046-V1050 WeakPolarHBondContact O-CG2 3.43Å; D1046-V1050 PolarHBondContact O-N 3.11Å; I1047-V1050 PolarHBondContact O-N 3.49Å; V1050-I1053 PolarHBondContact O-N 3.24Å; V1050-R1054 PolarHBondContact O-N 3.2Å |
| 1051 | R | 92.6 | Very high | 92.5 | Very high | 121 Ų | 121 | 57.7 Ų | 57.7 | 46% | 0.457 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.7 | -45.8 | -175.8 | -84.2 | 172.1 | 178.2 | 174 | 3 | 114.5 | I1047 R1054 N1055 | I1047-R1051 HydrophobicContact CG1-CG 4.3Å; I1047-R1051 WeakPolarHBondContact O-CB 3.19Å; I1047-R1051 VanDerWaalsContact O-CG 3.28Å; I1047-R1051 WeakPolarHBondContact O-CG 3.43Å; I1047-R1051 PolarHBondContact O-N 3.04Å; I1047-R1051 VanDerWaalsContact O-N 3.07Å; R1051-R1054 PolarHBondContact O-N 3.11Å; R1051-N1055 PolarHBondContact O-N 2.92Å; R1051-N1055 PolarHBondContact O-OD1 2.98Å; R1051-N1055 VanDerWaalsContact O-OD1 3.1Å |
| 1052 | P | 92.6 | Very high | 92.4 | Very high | 79 Ų | 79 | 64.1 Ų | 64.1 | 51% | 0.513 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -58.9 | -43.6 | 174.3 | -25.7 | 34.6 | 0 | 0 | 0 | 112.8 | E1048 R1054 N1055 Q1056 | E1048-P1052 WeakPolarHBondContact O-CD 3.43Å; P1052-R1054 PolarHBondContact O-N 3.46Å; P1052-N1055 WeakPolarHBondContact O-CB 3.32Å; P1052-N1055 PolarHBondContact O-N 2.9Å; P1052-N1055 VanDerWaalsContact O-N 3.11Å; P1052-Q1056 PolarHBondContact O-N 2.92Å |
| 1053 | I | 93.7 | Very high | 92.4 | Very high | 49 Ų | 49 | 58.3 Ų | 58.3 | 25% | 0.251 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.8 | -43 | 178.7 | -57.6 | 173 | 0 | 0 | 0 | 110.7 | I1037 T1041 W1043 V1050 N1055 Q1056 L1057 | I1037-I1053 HydrophobicContact CG2-CG2 3.51Å; T1041-I1053 HydrophobicContact CG2-CD1 3.78Å; T1041-I1053 HydrophobicContact CG2-CG2 4.16Å; W1043-I1053 HydrophobicContact CH2-CG2 4.06Å; V1050-I1053 PolarHBondContact O-N 3.24Å; I1053-N1055 VanDerWaalsContact C-N 3.31Å; I1053-N1055 PolarHBondContact O-N 3.48Å; I1053-Q1056 WeakPolarHBondContact O-CB 3.07Å; I1053-Q1056 PolarHBondContact O-N 3.41Å; I1053-L1057 PolarHBondContact O-N 3.06Å; I1053-L1057 VanDerWaalsContact O-N 3.08Å |
| 1054 | R | 94.7 | Very high | 92.2 | Very high | 17 Ų | 17 | 62.4 Ų | 62.4 | 6% | 0.064 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.1 | -41.4 | 172.2 | -179.3 | -75.9 | -51.5 | -112.2 | 14.2 | 111.6 | M998 L1001 V1050 R1051 P1052 Q1056 L1057 C1058 | M998-R1054 WeakPolarHBondContact O-CD 3.24Å; M998-R1054 PolarHBondContact O-NH1 2.81Å; M998-R1054 HydrophobicContact SD-CG 4.26Å; L1001-R1054 HydrophobicContact CB-CG 4.1Å; L1001-R1054 HydrophobicContact CD2-CB 4.37Å; L1001-R1054 HydrophobicContact CD2-CG 4Å; L1001-R1054 HydrophobicContact CG-CG 4.25Å; V1050-R1054 PolarHBondContact O-N 3.2Å; R1051-R1054 PolarHBondContact O-N 3.11Å; P1052-R1054 PolarHBondContact O-N 3.46Å; R1054-Q1056 VanDerWaalsContact C-N 3.31Å; R1054-Q1056 PolarHBondContact O-N 3.33Å; R1054-L1057 WeakPolarHBondContact O-CB 3.25Å; R1054-L1057 PolarHBondContact O-N 3.36Å; R1054-L1057 VanDerWaalsContact O-N 3.17Å; R1054-C1058 VanDerWaalsContact CD-SG 3.52Å; R1054-C1058 PolarHBondContact O-N 3.33Å; R1054-C1058 PolarHBondContact O-SG 3.2Å |
| 1055 | N | 93.8 | Very high | 92.1 | Very high | 49 Ų | 49 | 60.8 Ų | 60.8 | 26% | 0.262 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.3 | -37.4 | 178.4 | -63.4 | -8.4 | 0 | 0 | 0 | 111.5 | R1051 P1052 I1053 L1057 C1058 E1059 V1065 | R1051-N1055 PolarHBondContact O-N 2.92Å; R1051-N1055 PolarHBondContact O-OD1 2.98Å; R1051-N1055 VanDerWaalsContact O-OD1 3.1Å; P1052-N1055 WeakPolarHBondContact O-CB 3.32Å; P1052-N1055 PolarHBondContact O-N 2.9Å; P1052-N1055 VanDerWaalsContact O-N 3.11Å; I1053-N1055 VanDerWaalsContact C-N 3.31Å; I1053-N1055 PolarHBondContact O-N 3.48Å; N1055-L1057 VanDerWaalsContact C-N 3.33Å; N1055-L1057 PolarHBondContact O-N 3.43Å; N1055-C1058 WeakPolarHBondContact O-CB 3.4Å; N1055-C1058 PolarHBondContact O-N 3.32Å; N1055-C1058 VanDerWaalsContact O-N 3.12Å; N1055-E1059 PolarHBondContact O-N 3.14Å; N1055-E1059 VanDerWaalsContact O-N 3.13Å; N1055-V1065 HydrophobicContact CB-CG1 4.16Å; N1055-V1065 HydrophobicContact CB-CG2 4.34Å; N1055-V1065 VanDerWaalsContact OD1-CG1 3.27Å; N1055-V1065 WeakPolarHBondContact OD1-CG1 3.4Å |
| 1056 | Q | 93.3 | Very high | 91.9 | Very high | 78 Ų | 78 | 60.8 Ų | 60.8 | 36% | 0.364 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.7 | -43 | 171.3 | -175.1 | -176.7 | -5.2 | 0 | 0 | 111.3 | I1037 P1052 I1053 R1054 C1058 E1059 L1060 | I1037-Q1056 HydrophobicContact CD1-CG 4.3Å; P1052-Q1056 PolarHBondContact O-N 2.92Å; I1053-Q1056 WeakPolarHBondContact O-CB 3.07Å; I1053-Q1056 PolarHBondContact O-N 3.41Å; R1054-Q1056 VanDerWaalsContact C-N 3.31Å; R1054-Q1056 PolarHBondContact O-N 3.33Å; Q1056-C1058 VanDerWaalsContact C-N 3.32Å; Q1056-C1058 PolarHBondContact O-N 3.47Å; Q1056-E1059 PolarHBondContact O-N 3.04Å; Q1056-L1060 HydrophobicContact CG-CD1 4.28Å; Q1056-L1060 WeakPolarHBondContact O-CG 3.32Å; Q1056-L1060 PolarHBondContact O-N 3.33Å |
| 1057 | L | 93.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.3 | -37.5 | 172.6 | -71.3 | 175.6 | 0 | 0 | 0 | 112.8 | M998 L1001 V1034 I1037 L1038 W1043 I1053 R1054 N1055 E1059 L1060 F1061 | M998-L1057 HydrophobicContact SD-CB 3.99Å; L1001-L1057 HydrophobicContact CD2-CD1 3.72Å; V1034-L1057 HydrophobicContact CG1-CD2 4.05Å; I1037-L1057 HydrophobicContact CB-CD2 4.05Å; I1037-L1057 HydrophobicContact CD1-CD2 4.24Å; I1037-L1057 HydrophobicContact CG2-CD1 4.02Å; I1037-L1057 HydrophobicContact CG2-CD2 3.69Å; I1037-L1057 HydrophobicContact CG2-CG 3.77Å; L1038-L1057 HydrophobicContact CD2-CD1 3.82Å; W1043-L1057 HydrophobicContact CH2-CD1 3.62Å; W1043-L1057 HydrophobicContact CZ2-CD1 4Å; I1053-L1057 PolarHBondContact O-N 3.06Å; I1053-L1057 VanDerWaalsContact O-N 3.08Å; R1054-L1057 WeakPolarHBondContact O-CB 3.25Å; R1054-L1057 PolarHBondContact O-N 3.36Å; R1054-L1057 VanDerWaalsContact O-N 3.17Å; N1055-L1057 VanDerWaalsContact C-N 3.33Å; N1055-L1057 PolarHBondContact O-N 3.43Å; L1057-E1059 VanDerWaalsContact C-N 3.31Å; L1057-E1059 PolarHBondContact O-N 3.34Å; L1057-L1060 HydrophobicContact CD2-CD1 4.47Å; L1057-L1060 PolarHBondContact O-N 3.44Å; L1057-F1061 HydrophobicContact CB-CD2 4.29Å; L1057-F1061 HydrophobicContact CB-CE2 4.4Å; L1057-F1061 HydrophobicContact CD2-CE2 4.22Å; L1057-F1061 WeakPolarHBondContact O-CB 3.43Å; L1057-F1061 WeakPolarHBondContact O-CD2 3.46Å; L1057-F1061 PolarHBondContact O-N 2.97Å |
| 1058 | C | 93.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61 | -41.6 | 176.3 | -63.2 | 0 | 0 | 0 | 0 | 111.7 | M998 R1054 N1055 Q1056 Q1062 V1063 V1065 | M998-C1058 VanDerWaalsContact CG-SG 3.55Å; R1054-C1058 VanDerWaalsContact CD-SG 3.52Å; R1054-C1058 PolarHBondContact O-N 3.33Å; R1054-C1058 PolarHBondContact O-SG 3.2Å; N1055-C1058 WeakPolarHBondContact O-CB 3.4Å; N1055-C1058 PolarHBondContact O-N 3.32Å; N1055-C1058 VanDerWaalsContact O-N 3.12Å; Q1056-C1058 VanDerWaalsContact C-N 3.32Å; Q1056-C1058 PolarHBondContact O-N 3.47Å; C1058-Q1062 PolarHBondContact O-N 3.39Å; C1058-V1063 HydrophobicContact CB-CG2 4.15Å; C1058-V1063 PolarHBondContact O-N 3.27Å; C1058-V1063 VanDerWaalsContact O-O 3.13Å; C1058-V1065 HydrophobicContact CB-CG2 3.82Å |
| 1059 | E | 91.8 | Very high | 88.2 | Confident | 143 Ų | 143 | 69.1 Ų | 69.1 | 67% | 0.668 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -64.7 | -45.7 | 175.9 | -68.5 | 173.9 | -173.8 | 0 | 0 | 111.3 | N1055 Q1056 L1057 F1061 Q1062 | N1055-E1059 PolarHBondContact O-N 3.14Å; N1055-E1059 VanDerWaalsContact O-N 3.13Å; Q1056-E1059 PolarHBondContact O-N 3.04Å; L1057-E1059 VanDerWaalsContact C-N 3.31Å; L1057-E1059 PolarHBondContact O-N 3.34Å; E1059-F1061 PolarHBondContact O-N 3.45Å; E1059-Q1062 PolarHBondContact O-N 3.46Å; E1059-Q1062 VanDerWaalsContact O-N 3.11Å |
| 1060 | L | 92 | Very high | 85.7 | Confident | 23 Ų | 23 | 71 Ų | 71 | 12% | 0.12 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 178.9 | -67.1 | 171.9 | 0 | 0 | 0 | 112.8 | L1030 Q1033 V1034 I1037 Q1056 L1057 Q1062 | L1030-L1060 HydrophobicContact CD1-CD2 4.16Å; L1030-L1060 HydrophobicContact CD2-CD2 4.1Å; Q1033-L1060 HydrophobicContact CG-CD1 4.29Å; V1034-L1060 HydrophobicContact CG2-CB 4Å; V1034-L1060 HydrophobicContact CG2-CD1 3.89Å; V1034-L1060 HydrophobicContact CG2-CG 4.48Å; I1037-L1060 HydrophobicContact CD1-CD1 3.63Å; Q1056-L1060 HydrophobicContact CG-CD1 4.28Å; Q1056-L1060 WeakPolarHBondContact O-CG 3.32Å; Q1056-L1060 PolarHBondContact O-N 3.33Å; L1057-L1060 HydrophobicContact CD2-CD1 4.47Å; L1057-L1060 PolarHBondContact O-N 3.44Å; L1060-Q1062 VanDerWaalsContact C-N 3.29Å; L1060-Q1062 PolarHBondContact O-N 2.94Å |
| 1061 | F | 92.4 | Very high | 83.1 | Confident | 14 Ų | 14 | 79.8 Ų | 79.8 | 6% | 0.061 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -1.1 | 175.2 | -72.1 | -58.1 | 0 | 0 | 0 | 113.9 | L994 M998 L1020 L1025 C1026 V1034 L1057 E1059 V1063 | L994-F1061 HydrophobicContact CD1-CB 4.46Å; L994-F1061 HydrophobicContact CD1-CD1 4.49Å; L994-F1061 HydrophobicContact CD2-CD1 4.38Å; L994-F1061 HydrophobicContact CD2-CG 4.39Å; M998-F1061 HydrophobicContact CE-CD2 4.29Å; M998-F1061 HydrophobicContact CE-CE2 4.33Å; L1020-F1061 HydrophobicContact CD1-CE1 4.44Å; L1025-F1061 HydrophobicContact CB-CD1 4.45Å; L1025-F1061 HydrophobicContact CB-CE1 3.93Å; L1025-F1061 HydrophobicContact CD1-CE1 4.46Å; C1026-F1061 HydrophobicContact CB-CD1 4.36Å; C1026-F1061 HydrophobicContact CB-CE1 4.43Å; V1034-F1061 HydrophobicContact CG1-CE1 4.06Å; V1034-F1061 HydrophobicContact CG1-CE2 3.99Å; V1034-F1061 HydrophobicContact CG1-CZ 3.43Å; V1034-F1061 VanDerWaalsContact CG1-CZ 3.43Å; L1057-F1061 HydrophobicContact CB-CD2 4.29Å; L1057-F1061 HydrophobicContact CB-CE2 4.4Å; L1057-F1061 HydrophobicContact CD2-CE2 4.22Å; L1057-F1061 WeakPolarHBondContact O-CB 3.43Å; L1057-F1061 WeakPolarHBondContact O-CD2 3.46Å; L1057-F1061 PolarHBondContact O-N 2.97Å; E1059-F1061 PolarHBondContact O-N 3.45Å; F1061-V1063 VanDerWaalsContact C-N 3.28Å; F1061-V1063 HydrophobicContact CB-CG2 4.16Å; F1061-V1063 PolarHBondContact O-N 2.92Å |
| 1062 | Q | 91.1 | Very high | 80.3 | Confident | 157 Ų | 157 | 80.2 Ų | 80.2 | 73% | 0.734 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 38.2 | -177 | -53 | 177.9 | 9.4 | 0 | 0 | 113.8 | C1058 E1059 L1060 | C1058-Q1062 PolarHBondContact O-N 3.39Å; E1059-Q1062 PolarHBondContact O-N 3.46Å; E1059-Q1062 VanDerWaalsContact O-N 3.11Å; L1060-Q1062 VanDerWaalsContact C-N 3.29Å; L1060-Q1062 PolarHBondContact O-N 2.94Å |
| 1063 | V | 92.5 | Very high | 77.3 | Confident | 11 Ų | 11 | 85 Ų | 85 | 7% | 0.067 | 45% | 0.447 | C | S | . | . | trans | -112 | 151.2 | 176 | -64.8 | 0 | 0 | 0 | 0 | 111.4 | L994 M998 C1058 F1061 V1065 | L994-V1063 HydrophobicContact CB-CG1 3.85Å; L994-V1063 HydrophobicContact CD1-CG1 4.36Å; M998-V1063 HydrophobicContact CG-CG2 3.84Å; C1058-V1063 HydrophobicContact CB-CG2 4.15Å; C1058-V1063 PolarHBondContact O-N 3.27Å; C1058-V1063 VanDerWaalsContact O-O 3.13Å; F1061-V1063 VanDerWaalsContact C-N 3.28Å; F1061-V1063 HydrophobicContact CB-CG2 4.16Å; F1061-V1063 PolarHBondContact O-N 2.92Å; V1063-V1065 PolarHBondContact O-N 2.97Å | ||
| 1064 | P | 90.3 | Very high | 74.4 | Confident | 99 Ų | 99 | 89.3 Ų | 89.3 | 64% | 0.643 | 47% | 0.471 | S | S | * | . | trans | -61.3 | 131.5 | -178.5 | -21.9 | 33 | 0 | 0 | 0 | 112.2 | P1066 | P1064-P1066 VanDerWaalsContact O-CD 3.3Å; P1064-P1066 WeakPolarHBondContact O-CD 3.27Å | ||
| 1065 | V | 89.6 | Confident | 71.5 | Confident | 54 Ų | 54 | 97.3 Ų | 97.3 | 33% | 0.327 | 51% | 0.509 | S | S | . | . | trans | -60.3 | 124.1 | 171.8 | 177.8 | 0 | 0 | 0 | 0 | 109.5 | N1055 C1058 V1063 R1067 | N1055-V1065 HydrophobicContact CB-CG1 4.16Å; N1055-V1065 HydrophobicContact CB-CG2 4.34Å; N1055-V1065 VanDerWaalsContact OD1-CG1 3.27Å; N1055-V1065 WeakPolarHBondContact OD1-CG1 3.4Å; C1058-V1065 HydrophobicContact CB-CG2 3.82Å; V1063-V1065 PolarHBondContact O-N 2.97Å; V1065-R1067 PolarHBondContact O-N 3.44Å | ||
| 1066 | P | 86.3 | Confident | 68.6 | Low | 32 Ų | 32 | 101.2 Ų | 101.2 | 21% | 0.208 | 53% | 0.534 | C | S | . | . | trans | -62.5 | 114 | 177.6 | -27.2 | 37.4 | 0 | 0 | 0 | 111.6 | M998 I999 P1064 | M998-P1066 HydrophobicContact CB-CG 4.15Å; I999-P1066 HydrophobicContact CG1-CB 3.84Å; I999-P1066 HydrophobicContact CG1-CG 3.7Å; P1064-P1066 VanDerWaalsContact O-CD 3.3Å; P1064-P1066 WeakPolarHBondContact O-CD 3.27Å | ||
| 1067 | R | 79.5 | Confident | 65.9 | Low | 234 Ų | 234 | 102.5 Ų | 102.5 | 88% | 0.883 | 55% | 0.552 | S | S | * | * | trans | -77.9 | 135.4 | 175.7 | -64.1 | -178.1 | -178.2 | 179.6 | 0 | 109.5 | V1065 T1069 | V1065-R1067 PolarHBondContact O-N 3.44Å; R1067-T1069 PolarHBondContact O-N 3.4Å; R1067-T1069 VanDerWaalsContact O-N 3.16Å | ||
| 1068 | A | 62.4 | Low | 63.2 | Low | 93 Ų | 93 | 108.2 Ų | 108.2 | 77% | 0.769 | 59% | 0.589 | S | S | * | * | trans | -60.6 | 120.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | S1070 | A1068-S1070 VanDerWaalsContact C-N 3.34Å; A1068-S1070 PolarHBondContact O-N 3.12Å | ||
| 1069 | T | 54.1 | Low | 60.4 | Low | 134 Ų | 134 | 116.7 Ų | 116.7 | 82% | 0.822 | 66% | 0.66 | S | S | * | * | trans | -57 | 107.4 | 161.9 | 42.8 | 0 | 0 | 0 | 0 | 105.6 | R1067 K1071 | R1067-T1069 PolarHBondContact O-N 3.4Å; R1067-T1069 VanDerWaalsContact O-N 3.16Å; T1069-K1071 PolarHBondContact O-N 3.26Å | ||
| 1070 | S | 37 | Very low | 58.9 | Low | 100 Ų | 100 | 115.4 Ų | 115.4 | 70% | 0.699 | 66% | 0.659 | S | S | * | * | trans | -50.3 | 119.6 | 166.4 | 42.3 | 0 | 0 | 0 | 0 | 105.1 | A1068 T1072 | A1068-S1070 VanDerWaalsContact C-N 3.34Å; A1068-S1070 PolarHBondContact O-N 3.12Å; S1070-T1072 PolarHBondContact O-N 2.91Å | ||
| 1071 | K | 38.6 | Very low | 57.1 | Low | 189 Ų | 189 | 120.3 Ų | 120.3 | 82% | 0.822 | 69% | 0.687 | S | S | * | * | trans | -54.8 | 102.1 | 159.2 | -78 | -179.8 | 173.8 | -178.8 | 0 | 104.1 | T1069 Q1073 | T1069-K1071 PolarHBondContact O-N 3.26Å; K1071-Q1073 PolarHBondContact O-N 3.43Å; K1071-Q1073 VanDerWaalsContact O-N 3.08Å | ||
| 1072 | T | 33.6 | Very low | 55.2 | Low | 129 Ų | 129 | 126.2 Ų | 126.2 | 79% | 0.791 | 72% | 0.722 | S | S | * | * | trans | -45.3 | 122.1 | 160.4 | 28.8 | 0 | 0 | 0 | 0 | 105.2 | S1070 N1074 | S1070-T1072 PolarHBondContact O-N 2.91Å; T1072-N1074 PolarHBondContact O-N 3.27Å | ||
| 1073 | Q | 30.7 | Very low | 53 | Low | 179 Ų | 179 | 124.4 Ų | 124.4 | 84% | 0.836 | 72% | 0.722 | S | S | * | * | trans | -35.8 | 129.9 | -172.5 | -71.5 | 158.2 | -27.3 | 0 | 0 | 110.2 | K1071 H1075 | K1071-Q1073 PolarHBondContact O-N 3.43Å; K1071-Q1073 VanDerWaalsContact O-N 3.08Å; Q1073-H1075 PolarHBondContact O-N 3.05Å | ||
| 1074 | N | 32.6 | Very low | 50.6 | Low | 140 Ų | 140 | 131.4 Ų | 131.4 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | trans | -38.7 | 113.5 | 162.6 | -72.3 | -23 | 0 | 0 | 0 | 107.8 | T1072 T1076 | T1072-N1074 PolarHBondContact O-N 3.27Å; N1074-T1076 VanDerWaalsContact C-N 3.28Å; N1074-T1076 PolarHBondContact O-N 3.09Å | ||
| 1075 | H | 33.9 | Very low | 47.9 | Very low | 186 Ų | 186 | 133.6 Ų | 133.6 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | trans | -54.2 | 108.4 | 150.6 | -88 | -73.1 | 0 | 0 | 0 | 105.3 | Q1073 S1077 | Q1073-H1075 PolarHBondContact O-N 3.05Å; H1075-S1077 PolarHBondContact O-N 3.22Å | ||
| 1076 | T | 32.9 | Very low | 45 | Very low | 130 Ų | 130 | 139.3 Ų | 139.3 | 80% | 0.798 | 80% | 0.802 | S | S | * | * | trans | -57.4 | 105 | 160 | 43.9 | 0 | 0 | 0 | 0 | 107.2 | N1074 | N1074-T1076 VanDerWaalsContact C-N 3.28Å; N1074-T1076 PolarHBondContact O-N 3.09Å | ||
| 1077 | S | 34.7 | Very low | 41.8 | Very low | 105 Ų | 105 | 147.5 Ų | 147.5 | 73% | 0.734 | 85% | 0.848 | S | S | * | * | trans | -109.2 | 112.1 | 150.5 | 56.4 | 0 | 0 | 0 | 0 | 107.1 | H1075 | H1075-S1077 PolarHBondContact O-N 3.22Š| ||
| 1078 | P | 37 | Very low | 38.6 | Very low | 120 Ų | 120 | 140.3 Ų | 140.3 | 78% | 0.779 | 85% | 0.845 | S | S | * | * | trans | -79 | 149.7 | 169.7 | 32.6 | -29.2 | 0 | 0 | 0 | 110.1 | ||||
| 1079 | A | 36.1 | Very low | 36.5 | Very low | 179 Ų | 179 | 144.6 Ų | 144.6 | 100% | 1.479 | 85% | 0.852 | S | S | * | * | trans | 83.8 | 0 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.2 |
Retrieved 1,079 of 1,079 residues in 1407.3 ms
(Link to these results)