| 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 | 41.1 | Very low | 44.3 | Very low | 209 Ų | 209 | 117.2 Ų | 117.2 | 100% | 1.03 | 62% | 0.623 | S | S | * | * | 0 | -41.2 | 0 | -80.8 | -178.1 | 147.1 | 0 | 0 | 112.5 | S3 H4 | M1-S3 VanDerWaalsContact C-N 3.3Å; M1-S3 PolarHBondContact O-N 3.07Å; M1-H4 PolarHBondContact O-N 2.9Å | |||
| 2 | A | 38.2 | Very low | 44.7 | Very low | 81 Ų | 81 | 116.8 Ų | 116.8 | 67% | 0.669 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | -11.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | T6 | A2-T6 PolarHBondContact O-OG1 3.1Š|
| 3 | S | 41.5 | Very low | 45.1 | Very low | 84 Ų | 84 | 121.1 Ų | 121.1 | 59% | 0.587 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -11.6 | 179.3 | 58.7 | 0 | 0 | 0 | 0 | 114.6 | M1 T6 | M1-S3 VanDerWaalsContact C-N 3.3Å; M1-S3 PolarHBondContact O-N 3.07Å; S3-T6 PolarHBondContact O-OG1 2.86Å |
| 4 | H | 44.9 | Very low | 45.5 | Very low | 141 Ų | 141 | 119.5 Ų | 119.5 | 65% | 0.653 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -35.2 | 175.5 | -98.2 | -78.4 | 0 | 0 | 0 | 111.7 | M1 T6 Y7 E8 | M1-H4 PolarHBondContact O-N 2.9Å; H4-T6 VanDerWaalsContact C-N 3.3Å; H4-T6 PolarHBondContact O-N 2.92Å; H4-Y7 PolarHBondContact O-N 3.48Å; H4-E8 PolarHBondContact O-N 3.4Å |
| 5 | E | 40.5 | Very low | 46.1 | Very low | 134 Ų | 134 | 114.5 Ų | 114.5 | 63% | 0.626 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66.4 | -29.3 | 176.5 | -72 | 174.4 | 165.6 | 0 | 0 | 112.9 | V9 | E5-V9 WeakPolarHBondContact O-CB 3.46Å; E5-V9 WeakPolarHBondContact O-CG2 3.36Å; E5-V9 PolarHBondContact O-N 3.39Å |
| 6 | T | 45.7 | Very low | 46.6 | Very low | 86 Ų | 86 | 117.1 Ų | 117.1 | 53% | 0.528 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -76.8 | -27.2 | 177.8 | 39.2 | 0 | 0 | 0 | 0 | 113.3 | A2 S3 H4 S10 | A2-T6 PolarHBondContact O-OG1 3.1Å; S3-T6 PolarHBondContact O-OG1 2.86Å; H4-T6 VanDerWaalsContact C-N 3.3Å; H4-T6 PolarHBondContact O-N 2.92Å; T6-S10 PolarHBondContact O-N 2.9Å; T6-S10 PolarHBondContact O-OG 3.07Å |
| 7 | Y | 43.1 | Very low | 47 | Very low | 171 Ų | 171 | 117.7 Ų | 117.7 | 67% | 0.671 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -80.2 | -39.5 | 176.6 | -116.6 | -85.4 | 0 | 0 | 0 | 112.2 | H4 S10 I11 | H4-Y7 PolarHBondContact O-N 3.48Å; Y7-S10 PolarHBondContact O-N 3.28Å; Y7-I11 HydrophobicContact CD1-CD1 4.46Å; Y7-I11 WeakPolarHBondContact O-CG1 3.31Å; Y7-I11 PolarHBondContact O-N 3.35Å; Y7-I11 VanDerWaalsContact O-N 3.17Å |
| 8 | E | 44.2 | Very low | 47.6 | Very low | 132 Ų | 132 | 119.4 Ų | 119.4 | 62% | 0.617 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65.9 | -39.1 | 174.5 | -82.3 | -179.6 | 159.7 | 0 | 0 | 112.3 | H4 S10 I11 E12 | H4-E8 PolarHBondContact O-N 3.4Å; E8-S10 VanDerWaalsContact C-N 3.26Å; E8-S10 PolarHBondContact O-N 2.96Å; E8-I11 PolarHBondContact O-N 3.49Å; E8-E12 WeakPolarHBondContact O-CB 3.46Å; E8-E12 PolarHBondContact O-N 3.24Å |
| 9 | V | 48.8 | Very low | 48.4 | Very low | 81 Ų | 81 | 118.4 Ų | 118.4 | 49% | 0.491 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -66.6 | -27.6 | 176.3 | 172.1 | 0 | 0 | 0 | 0 | 112.6 | E5 R13 | E5-V9 WeakPolarHBondContact O-CB 3.46Å; E5-V9 WeakPolarHBondContact O-CG2 3.36Å; E5-V9 PolarHBondContact O-N 3.39Å; V9-R13 WeakPolarHBondContact O-CB 3.46Å; V9-R13 WeakPolarHBondContact O-CG 3.45Å; V9-R13 PolarHBondContact O-N 2.66Å |
| 10 | S | 48 | Very low | 49.1 | Very low | 61 Ų | 61 | 115.9 Ų | 115.9 | 43% | 0.427 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -75.9 | -43.5 | 177 | -54.2 | 0 | 0 | 0 | 0 | 111.3 | T6 Y7 E8 R13 D14 | T6-S10 PolarHBondContact O-N 2.9Å; T6-S10 PolarHBondContact O-OG 3.07Å; Y7-S10 PolarHBondContact O-N 3.28Å; E8-S10 VanDerWaalsContact C-N 3.26Å; E8-S10 PolarHBondContact O-N 2.96Å; S10-R13 PolarHBondContact O-N 3.47Å; S10-D14 PolarHBondContact O-N 3.44Å |
| 11 | I | 51.7 | Low | 50 | Low | 109 Ų | 109 | 114.6 Ų | 114.6 | 56% | 0.559 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -67.5 | -38.1 | 177.3 | -63.9 | 167.2 | 0 | 0 | 0 | 111.3 | Y7 E8 R13 A15 | Y7-I11 HydrophobicContact CD1-CD1 4.46Å; Y7-I11 WeakPolarHBondContact O-CG1 3.31Å; Y7-I11 PolarHBondContact O-N 3.35Å; Y7-I11 VanDerWaalsContact O-N 3.17Å; E8-I11 PolarHBondContact O-N 3.49Å; I11-R13 VanDerWaalsContact C-N 3.3Å; I11-R13 PolarHBondContact O-N 3.33Å; I11-A15 VanDerWaalsContact O-CB 3.32Å; I11-A15 WeakPolarHBondContact O-CB 3.23Å; I11-A15 PolarHBondContact O-N 3.47Å |
| 12 | E | 48.5 | Very low | 51.3 | Low | 113 Ų | 113 | 106.8 Ų | 106.8 | 53% | 0.528 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68 | -27.3 | 173.3 | -80.5 | -164.5 | -177.5 | 0 | 0 | 113.3 | E8 R16 | E8-E12 WeakPolarHBondContact O-CB 3.46Å; E8-E12 PolarHBondContact O-N 3.24Å; E12-R16 WeakPolarHBondContact O-CB 3.48Å; E12-R16 WeakPolarHBondContact O-CD 3.36Å; E12-R16 WeakPolarHBondContact O-CG 3.42Å; E12-R16 PolarHBondContact O-N 2.77Å; E12-R16 IonicContact OE2-NH2 3.93Å; E12-R16 PolarHBondContact OE2-NH2 2.76Å; E12-R16 VanDerWaalsContact OE2-NH2 3.16Å |
| 13 | R | 50 | Low | 52.9 | Low | 172 Ų | 172 | 105.1 Ų | 105.1 | 65% | 0.649 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -73.1 | -49.1 | 173.7 | -89.2 | -178.7 | 161.1 | 173.7 | -5.2 | 111.4 | V9 S10 I11 A15 R16 E17 | V9-R13 WeakPolarHBondContact O-CB 3.46Å; V9-R13 WeakPolarHBondContact O-CG 3.45Å; V9-R13 PolarHBondContact O-N 2.66Å; S10-R13 PolarHBondContact O-N 3.47Å; I11-R13 VanDerWaalsContact C-N 3.3Å; I11-R13 PolarHBondContact O-N 3.33Å; R13-A15 VanDerWaalsContact C-N 3.31Å; R13-A15 PolarHBondContact O-N 3.34Å; R13-R16 PolarHBondContact O-N 3.35Å; R13-R16 VanDerWaalsContact O-N 3.13Å; R13-E17 PolarHBondContact O-N 3.45Å |
| 14 | D | 51.1 | Low | 54.5 | Low | 99 Ų | 99 | 102.1 Ų | 102.1 | 53% | 0.529 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.9 | -39.2 | 179.5 | -65.5 | -17 | 0 | 0 | 0 | 111.5 | S10 R16 E17 E18 | S10-D14 PolarHBondContact O-N 3.44Å; D14-R16 VanDerWaalsContact C-N 3.35Å; D14-R16 PolarHBondContact O-N 2.84Å; D14-E17 PolarHBondContact O-N 2.94Å; D14-E18 PolarHBondContact O-N 3.35Å; D14-E18 VanDerWaalsContact O-N 3.11Å |
| 15 | A | 53.8 | Low | 56.1 | Low | 45 Ų | 45 | 101 Ų | 101 | 37% | 0.372 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71.9 | -22.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | I11 R13 N19 | I11-A15 VanDerWaalsContact O-CB 3.32Å; I11-A15 WeakPolarHBondContact O-CB 3.23Å; I11-A15 PolarHBondContact O-N 3.47Å; R13-A15 VanDerWaalsContact C-N 3.31Å; R13-A15 PolarHBondContact O-N 3.34Å; A15-N19 PolarHBondContact O-ND2 3.45Å |
| 16 | R | 54.7 | Low | 58.1 | Low | 156 Ų | 156 | 99.5 Ų | 99.5 | 59% | 0.589 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -78.3 | -41.6 | 172.1 | -76.7 | 175.3 | -164.9 | -179.4 | 11.3 | 110.8 | E12 R13 D14 N19 D20 | E12-R16 WeakPolarHBondContact O-CB 3.48Å; E12-R16 WeakPolarHBondContact O-CD 3.36Å; E12-R16 WeakPolarHBondContact O-CG 3.42Å; E12-R16 PolarHBondContact O-N 2.77Å; E12-R16 IonicContact OE2-NH2 3.93Å; E12-R16 PolarHBondContact OE2-NH2 2.76Å; E12-R16 VanDerWaalsContact OE2-NH2 3.16Å; R13-R16 PolarHBondContact O-N 3.35Å; R13-R16 VanDerWaalsContact O-N 3.13Å; D14-R16 VanDerWaalsContact C-N 3.35Å; D14-R16 PolarHBondContact O-N 2.84Å; R16-N19 PolarHBondContact O-N 2.87Å; R16-D20 PolarHBondContact O-N 2.99Å |
| 17 | E | 53.5 | Low | 59.9 | Low | 127 Ų | 127 | 95.6 Ų | 95.6 | 59% | 0.593 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -63.7 | -41.3 | 177.6 | -71.3 | -177.5 | -173.9 | 0 | 0 | 112.5 | R13 D14 D20 I21 | R13-E17 PolarHBondContact O-N 3.45Å; D14-E17 PolarHBondContact O-N 2.94Å; E17-D20 PolarHBondContact O-N 2.87Å; E17-I21 WeakPolarHBondContact O-CG1 3.39Å; E17-I21 PolarHBondContact O-N 3.45Å |
| 18 | E | 58.6 | Low | 61.9 | Low | 149 Ų | 149 | 88.4 Ų | 88.4 | 70% | 0.696 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -65.5 | -38.9 | 175.4 | -76.8 | -172.8 | 165.5 | 0 | 0 | 113.2 | D14 I21 A22 | D14-E18 PolarHBondContact O-N 3.35Å; D14-E18 VanDerWaalsContact O-N 3.11Å; E18-I21 PolarHBondContact O-N 2.85Å; E18-A22 PolarHBondContact O-N 3.43Å; E18-A22 VanDerWaalsContact O-N 3.1Å |
| 19 | N | 62.6 | Low | 63.7 | Low | 100 Ų | 100 | 83.5 Ų | 83.5 | 54% | 0.535 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -68.2 | -37.3 | 176.9 | -86.6 | -48.7 | 0 | 0 | 0 | 112.2 | A15 R16 A22 N23 | A15-N19 PolarHBondContact O-ND2 3.45Å; R16-N19 PolarHBondContact O-N 2.87Å; N19-A22 PolarHBondContact O-N 2.83Å; N19-N23 VanDerWaalsContact O-CB 3.31Å; N19-N23 WeakPolarHBondContact O-CB 3.32Å; N19-N23 PolarHBondContact O-N 3.28Å; N19-N23 PolarHBondContact O-ND2 2.75Å; N19-N23 VanDerWaalsContact O-ND2 3.14Å |
| 20 | D | 62.6 | Low | 65.5 | Low | 67 Ų | 67 | 79.9 Ų | 79.9 | 36% | 0.358 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66.9 | -36.5 | 178 | -74.3 | -23.2 | 0 | 0 | 0 | 112.1 | R16 E17 Y24 | R16-D20 PolarHBondContact O-N 2.99Å; E17-D20 PolarHBondContact O-N 2.87Å; D20-Y24 WeakPolarHBondContact O-CB 3.48Å; D20-Y24 PolarHBondContact O-N 3.18Å |
| 21 | I | 66.6 | Low | 67.4 | Low | 89 Ų | 89 | 77 Ų | 77 | 46% | 0.456 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -68.3 | -45 | 174.5 | -65.3 | 165 | 0 | 0 | 0 | 111 | E17 E18 N23 Y24 H25 | E17-I21 WeakPolarHBondContact O-CG1 3.39Å; E17-I21 PolarHBondContact O-N 3.45Å; E18-I21 PolarHBondContact O-N 2.85Å; I21-N23 PolarHBondContact O-N 2.64Å; I21-Y24 PolarHBondContact O-N 3.12Å; I21-H25 PolarHBondContact O-CD2 2.96Å; I21-H25 PolarHBondContact O-N 2.73Å |
| 22 | A | 69.3 | Low | 69.1 | Low | 45 Ų | 45 | 76.1 Ų | 76.1 | 37% | 0.372 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E18 N19 H25 L26 | E18-A22 PolarHBondContact O-N 3.43Å; E18-A22 VanDerWaalsContact O-N 3.1Å; N19-A22 PolarHBondContact O-N 2.83Å; A22-H25 PolarHBondContact O-N 3.24Å; A22-L26 WeakPolarHBondContact O-CG 3.47Å; A22-L26 PolarHBondContact O-N 3.43Å |
| 23 | N | 71.1 | Confident | 70.8 | Confident | 46 Ų | 46 | 77 Ų | 77 | 25% | 0.246 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63.8 | -40.7 | 175.8 | -73.3 | -25.9 | 0 | 0 | 0 | 111.9 | N19 I21 L26 I27 | N19-N23 VanDerWaalsContact O-CB 3.31Å; N19-N23 WeakPolarHBondContact O-CB 3.32Å; N19-N23 PolarHBondContact O-N 3.28Å; N19-N23 PolarHBondContact O-ND2 2.75Å; N19-N23 VanDerWaalsContact O-ND2 3.14Å; I21-N23 PolarHBondContact O-N 2.64Å; N23-L26 PolarHBondContact O-N 3.45Å; N23-I27 VanDerWaalsContact O-CG1 3.28Å; N23-I27 WeakPolarHBondContact O-CG1 3.5Å; N23-I27 PolarHBondContact O-N 2.9Å |
| 24 | Y | 75.6 | Confident | 72.6 | Confident | 21 Ų | 21 | 70.1 Ų | 70.1 | 8% | 0.082 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59.5 | -48.2 | 173.8 | 176.2 | -100.7 | 0 | 0 | 0 | 111.9 | D20 I21 L26 I27 V28 N53 D55 L61 | D20-Y24 WeakPolarHBondContact O-CB 3.48Å; D20-Y24 PolarHBondContact O-N 3.18Å; I21-Y24 PolarHBondContact O-N 3.12Å; Y24-L26 VanDerWaalsContact C-N 3.33Å; Y24-L26 PolarHBondContact O-N 3.47Å; Y24-I27 PolarHBondContact O-N 3.4Å; Y24-V28 HydrophobicContact CD1-CG2 4.17Å; Y24-V28 HydrophobicContact CD2-CG2 4.34Å; Y24-V28 HydrophobicContact CE1-CG2 3.77Å; Y24-V28 HydrophobicContact CE2-CG2 3.96Å; Y24-V28 HydrophobicContact CG-CG2 4.44Å; Y24-V28 WeakPolarHBondContact O-CB 3.19Å; Y24-V28 VanDerWaalsContact O-CG2 3.31Å; Y24-V28 WeakPolarHBondContact O-CG2 3.42Å; Y24-V28 PolarHBondContact O-N 3.13Å; Y24-N53 HydrophobicContact CD1-CB 4.25Å; Y24-N53 HydrophobicContact CD2-CB 3.59Å; Y24-N53 HydrophobicContact CE1-CB 4.29Å; Y24-N53 HydrophobicContact CE2-CB 3.63Å; Y24-N53 WeakPolarHBondContact CE2-O 3.49Å; Y24-N53 HydrophobicContact CG-CB 3.91Å; Y24-N53 PolarHBondContact OH-O 2.86Å; Y24-D55 PolarHBondContact OH-N 3.01Å; Y24-L61 HydrophobicContact CD2-CD2 4.29Å; Y24-L61 HydrophobicContact CD2-CG 4.5Å; Y24-L61 HydrophobicContact CE2-CD2 3.88Å; Y24-L61 HydrophobicContact CE2-CG 3.94Å |
| 25 | H | 78.8 | Confident | 74.4 | Confident | 119 Ų | 119 | 68.7 Ų | 68.7 | 55% | 0.551 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -62.3 | -37.8 | 178.1 | -72.7 | -60.2 | 0 | 0 | 0 | 113 | I21 A22 V28 G29 | I21-H25 PolarHBondContact O-CD2 2.96Å; I21-H25 PolarHBondContact O-N 2.73Å; A22-H25 PolarHBondContact O-N 3.24Å; H25-V28 PolarHBondContact O-N 2.94Å; H25-G29 PolarHBondContact O-N 3.23Å |
| 26 | L | 81.1 | Confident | 76 | Confident | 101 Ų | 101 | 68.8 Ų | 68.8 | 53% | 0.529 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.3 | -43.5 | 175 | -75 | 168.7 | 0 | 0 | 0 | 112 | A22 N23 Y24 G29 A30 L42 | A22-L26 WeakPolarHBondContact O-CG 3.47Å; A22-L26 PolarHBondContact O-N 3.43Å; N23-L26 PolarHBondContact O-N 3.45Å; Y24-L26 VanDerWaalsContact C-N 3.33Å; Y24-L26 PolarHBondContact O-N 3.47Å; L26-G29 PolarHBondContact O-N 3.48Å; L26-A30 WeakPolarHBondContact O-CB 3.36Å; L26-A30 PolarHBondContact O-N 3.24Å; L26-L42 HydrophobicContact CB-CD1 4.08Å |
| 27 | I | 84.6 | Confident | 77.4 | Confident | 4 Ų | 4 | 69 Ų | 69 | 2% | 0.021 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.9 | -45.1 | 175.4 | -68.4 | 169.2 | 0 | 0 | 0 | 110.3 | N23 Y24 G29 A30 I31 L42 F43 L61 | N23-I27 VanDerWaalsContact O-CG1 3.28Å; N23-I27 WeakPolarHBondContact O-CG1 3.5Å; N23-I27 PolarHBondContact O-N 2.9Å; Y24-I27 PolarHBondContact O-N 3.4Å; I27-G29 PolarHBondContact O-N 3.28Å; I27-A30 WeakPolarHBondContact O-CB 3.38Å; I27-A30 PolarHBondContact O-N 3.43Å; I27-I31 HydrophobicContact CG2-CD1 3.93Å; I27-I31 HydrophobicContact CG2-CG1 4.44Å; I27-I31 WeakPolarHBondContact O-CG1 3.44Å; I27-I31 PolarHBondContact O-N 3.4Å; I27-L42 HydrophobicContact CB-CD1 4.42Å; I27-L42 HydrophobicContact CD1-CB 4.23Å; I27-L42 HydrophobicContact CG1-CB 3.61Å; I27-L42 HydrophobicContact CG1-CD1 3.74Å; I27-L42 HydrophobicContact CG1-CG 4.29Å; I27-F43 HydrophobicContact CG2-CD2 4.4Å; I27-F43 HydrophobicContact CG2-CE2 3.82Å; I27-L61 HydrophobicContact CG2-CD2 3.76Å |
| 28 | V | 84 | Confident | 78.9 | Confident | 20 Ų | 20 | 66.6 Ų | 66.6 | 12% | 0.121 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.4 | -46.2 | 177.2 | 167 | 0 | 0 | 0 | 0 | 111.1 | Y24 H25 A30 I31 I32 L61 I64 | Y24-V28 HydrophobicContact CD1-CG2 4.17Å; Y24-V28 HydrophobicContact CD2-CG2 4.34Å; Y24-V28 HydrophobicContact CE1-CG2 3.77Å; Y24-V28 HydrophobicContact CE2-CG2 3.96Å; Y24-V28 HydrophobicContact CG-CG2 4.44Å; Y24-V28 WeakPolarHBondContact O-CB 3.19Å; Y24-V28 VanDerWaalsContact O-CG2 3.31Å; Y24-V28 WeakPolarHBondContact O-CG2 3.42Å; Y24-V28 PolarHBondContact O-N 3.13Å; H25-V28 PolarHBondContact O-N 2.94Å; V28-A30 VanDerWaalsContact C-N 3.33Å; V28-A30 PolarHBondContact O-N 2.88Å; V28-I31 PolarHBondContact O-N 2.86Å; V28-I32 HydrophobicContact CG1-CD1 3.73Å; V28-I32 HydrophobicContact CG1-CG1 4.46Å; V28-I32 VanDerWaalsContact O-CG1 3.31Å; V28-I32 WeakPolarHBondContact O-CG1 3.21Å; V28-I32 PolarHBondContact O-N 3.49Å; V28-L61 HydrophobicContact CG2-CD2 3.8Å; V28-I64 HydrophobicContact CG1-CD1 4.03Å; V28-I64 HydrophobicContact CG1-CG2 4.32Å; V28-I64 HydrophobicContact CG2-CD1 3.8Å |
| 29 | G | 83.1 | Confident | 80.1 | Confident | 29 Ų | 29 | 59.5 Ų | 59.5 | 30% | 0.299 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.7 | -43.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | H25 L26 I27 I31 I32 D33 | H25-G29 PolarHBondContact O-N 3.23Å; L26-G29 PolarHBondContact O-N 3.48Å; I27-G29 PolarHBondContact O-N 3.28Å; G29-I31 VanDerWaalsContact C-N 3.32Å; G29-I31 PolarHBondContact O-N 3.29Å; G29-I32 PolarHBondContact O-N 3.16Å; G29-D33 WeakPolarHBondContact O-CB 3.38Å; G29-D33 PolarHBondContact O-N 3.11Å |
| 30 | A | 86.8 | Confident | 81.2 | Confident | 5 Ų | 5 | 57.1 Ų | 57.1 | 4% | 0.041 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.5 | -38.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L26 I27 V28 G34 N35 L38 V39 L42 | L26-A30 WeakPolarHBondContact O-CB 3.36Å; L26-A30 PolarHBondContact O-N 3.24Å; I27-A30 WeakPolarHBondContact O-CB 3.38Å; I27-A30 PolarHBondContact O-N 3.43Å; V28-A30 VanDerWaalsContact C-N 3.33Å; V28-A30 PolarHBondContact O-N 2.88Å; A30-G34 PolarHBondContact O-N 3.37Å; A30-N35 PolarHBondContact O-N 3.43Å; A30-L38 HydrophobicContact CB-CB 4.41Å; A30-L38 HydrophobicContact CB-CD2 3.26Å; A30-L38 HydrophobicContact CB-CG 4.43Å; A30-V39 HydrophobicContact CB-CG2 3.7Å; A30-L42 HydrophobicContact CB-CD1 4.38Å |
| 31 | I | 87.9 | Confident | 82.1 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.1 | -45.2 | 176.3 | -69.5 | 171.9 | 0 | 0 | 0 | 110.6 | I27 V28 G29 D33 G34 V39 L61 I64 A65 H70 I73 L77 | I27-I31 HydrophobicContact CG2-CD1 3.93Å; I27-I31 HydrophobicContact CG2-CG1 4.44Å; I27-I31 WeakPolarHBondContact O-CG1 3.44Å; I27-I31 PolarHBondContact O-N 3.4Å; V28-I31 PolarHBondContact O-N 2.86Å; G29-I31 VanDerWaalsContact C-N 3.32Å; G29-I31 PolarHBondContact O-N 3.29Å; I31-D33 VanDerWaalsContact C-N 3.29Å; I31-D33 PolarHBondContact O-N 2.96Å; I31-G34 PolarHBondContact O-N 3.12Å; I31-G34 VanDerWaalsContact O-N 3.14Å; I31-V39 HydrophobicContact CG1-CG2 3.76Å; I31-L61 HydrophobicContact CD1-CB 4.33Å; I31-L61 HydrophobicContact CD1-CD2 3.65Å; I31-I64 HydrophobicContact CG2-CG2 3.99Å; I31-A65 VanDerWaalsContact CG2-CA 3.44Å; I31-A65 HydrophobicContact CG2-CB 3.76Å; I31-H70 PolarHBondContact O-CD2 3.42Å; I31-I73 HydrophobicContact CG1-CG2 4.03Å; I31-I73 HydrophobicContact CG2-CG2 4.2Å; I31-L77 HydrophobicContact CD1-CD1 4.2Å |
| 32 | I | 87 | Confident | 82.7 | Confident | 92 Ų | 92 | 55.7 Ų | 55.7 | 47% | 0.472 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.5 | -37.8 | 178.9 | -68 | 167.4 | 0 | 0 | 0 | 111.1 | V28 G29 G34 I64 | V28-I32 HydrophobicContact CG1-CD1 3.73Å; V28-I32 HydrophobicContact CG1-CG1 4.46Å; V28-I32 VanDerWaalsContact O-CG1 3.31Å; V28-I32 WeakPolarHBondContact O-CG1 3.21Å; V28-I32 PolarHBondContact O-N 3.49Å; G29-I32 PolarHBondContact O-N 3.16Å; I32-G34 VanDerWaalsContact C-N 3.27Å; I32-G34 PolarHBondContact O-N 3.2Å; I32-I64 HydrophobicContact CD1-CG2 4.4Å; I32-I64 HydrophobicContact CG1-CG2 3.9Å |
| 33 | D | 85.2 | Confident | 83.2 | Confident | 132 Ų | 132 | 54.3 Ų | 54.3 | 71% | 0.706 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -8.3 | 177.9 | -73.1 | -16.3 | 0 | 0 | 0 | 113.8 | G29 I31 N35 | G29-D33 WeakPolarHBondContact O-CB 3.38Å; G29-D33 PolarHBondContact O-N 3.11Å; I31-D33 VanDerWaalsContact C-N 3.29Å; I31-D33 PolarHBondContact O-N 2.96Å; D33-N35 VanDerWaalsContact C-N 3.31Å; D33-N35 PolarHBondContact O-N 3.33Å |
| 34 | G | 86.3 | Confident | 83.4 | Confident | 26 Ų | 26 | 57 Ų | 57 | 27% | 0.268 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74 | 17.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | A30 I31 I32 L36 H70 | A30-G34 PolarHBondContact O-N 3.37Å; I31-G34 PolarHBondContact O-N 3.12Å; I31-G34 VanDerWaalsContact O-N 3.14Å; I32-G34 VanDerWaalsContact C-N 3.27Å; I32-G34 PolarHBondContact O-N 3.2Å; G34-L36 PolarHBondContact O-N 3.13Å; G34-H70 WeakPolarHBondContact CA-CD2 3.23Å; G34-H70 VanDerWaalsContact CA-NE2 3.25Å; G34-H70 WeakPolarHBondContact CA-NE2 3.5Å; G34-H70 PolarHBondContact N-NE2 2.78Å |
| 35 | N | 88.7 | Confident | 83.1 | Confident | 69 Ų | 69 | 62 Ų | 62 | 37% | 0.369 | 33% | 0.33 | S | S | . | . | trans | -88.5 | 85.1 | -174.8 | -169.9 | -15.6 | 0 | 0 | 0 | 111.9 | A30 D33 E37 L38 V39 | A30-N35 PolarHBondContact O-N 3.43Å; D33-N35 VanDerWaalsContact C-N 3.31Å; D33-N35 PolarHBondContact O-N 3.33Å; N35-E37 VanDerWaalsContact C-N 3.28Å; N35-E37 PolarHBondContact O-N 3.19Å; N35-E37 PolarHBondContact OD1-N 3.39Å; N35-L38 HydrophobicContact CB-CB 4.11Å; N35-L38 PolarHBondContact O-N 3.28Å; N35-L38 PolarHBondContact OD1-N 3.05Å; N35-V39 WeakPolarHBondContact O-CG2 3.15Å; N35-V39 PolarHBondContact O-N 3.48Å | ||
| 36 | L | 87.6 | Confident | 82.4 | Confident | 48 Ų | 48 | 57 Ų | 57 | 25% | 0.251 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -56.8 | -38 | 180 | -178.4 | 66 | 0 | 0 | 0 | 113.2 | G34 L38 V39 N40 E72 I73 Y76 | G34-L36 PolarHBondContact O-N 3.13Å; L36-L38 VanDerWaalsContact C-N 3.33Å; L36-L38 PolarHBondContact O-N 3.22Å; L36-V39 PolarHBondContact O-N 2.9Å; L36-N40 WeakPolarHBondContact CD1-OD1 3.27Å; L36-N40 WeakPolarHBondContact O-CB 3.41Å; L36-N40 PolarHBondContact O-N 3.43Å; L36-N40 PolarHBondContact O-OD1 3.26Å; L36-E72 HydrophobicContact CD2-CB 4.36Å; L36-I73 HydrophobicContact CB-CG1 4.47Å; L36-I73 HydrophobicContact CD1-CG1 4.22Å; L36-Y76 HydrophobicContact CD1-CD1 4.34Å; L36-Y76 HydrophobicContact CD1-CD2 4.27Å; L36-Y76 HydrophobicContact CD1-CG 3.83Å |
| 37 | E | 85.2 | Confident | 81 | Confident | 160 Ų | 160 | 57.1 Ų | 57.1 | 75% | 0.748 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -64.9 | -40.3 | -179.3 | -68.1 | -177.1 | 178.9 | 0 | 0 | 111.6 | N35 N40 H41 | N35-E37 VanDerWaalsContact C-N 3.28Å; N35-E37 PolarHBondContact O-N 3.19Å; N35-E37 PolarHBondContact OD1-N 3.39Å; E37-N40 PolarHBondContact O-N 3Å; E37-H41 WeakPolarHBondContact O-CB 3.35Å; E37-H41 PolarHBondContact O-N 3.16Å |
| 38 | L | 83.6 | Confident | 79.3 | Confident | 77 Ų | 77 | 64.3 Ų | 64.3 | 40% | 0.403 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -72.9 | -37.3 | 178.2 | -162 | 138.1 | 0 | 0 | 0 | 111.4 | A30 N35 L36 H41 L42 | A30-L38 HydrophobicContact CB-CB 4.41Å; A30-L38 HydrophobicContact CB-CD2 3.26Å; A30-L38 HydrophobicContact CB-CG 4.43Å; N35-L38 HydrophobicContact CB-CB 4.11Å; N35-L38 PolarHBondContact O-N 3.28Å; N35-L38 PolarHBondContact OD1-N 3.05Å; L36-L38 VanDerWaalsContact C-N 3.33Å; L36-L38 PolarHBondContact O-N 3.22Å; L38-H41 PolarHBondContact O-N 3.01Å; L38-L42 HydrophobicContact CD2-CD1 3.5Å; L38-L42 HydrophobicContact CD2-CG 4.15Å; L38-L42 HydrophobicContact CG-CD1 4.48Å; L38-L42 WeakPolarHBondContact O-CB 3.29Å; L38-L42 VanDerWaalsContact O-CG 3.27Å; L38-L42 WeakPolarHBondContact O-CG 3.4Å; L38-L42 PolarHBondContact O-N 3.46Å |
| 39 | V | 84.4 | Confident | 77.9 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.4 | -49.3 | 169.8 | 173.9 | 0 | 0 | 0 | 0 | 110.6 | A30 I31 N35 L36 H41 L42 F43 I73 Y76 | A30-V39 HydrophobicContact CB-CG2 3.7Å; I31-V39 HydrophobicContact CG1-CG2 3.76Å; N35-V39 WeakPolarHBondContact O-CG2 3.15Å; N35-V39 PolarHBondContact O-N 3.48Å; L36-V39 PolarHBondContact O-N 2.9Å; V39-H41 VanDerWaalsContact C-N 3.35Å; V39-H41 PolarHBondContact O-N 3.08Å; V39-L42 PolarHBondContact O-N 2.9Å; V39-F43 HydrophobicContact CG1-CD2 3.86Å; V39-F43 HydrophobicContact CG1-CE2 4.05Å; V39-F43 WeakPolarHBondContact O-CB 3.34Å; V39-F43 WeakPolarHBondContact O-CD2 3.23Å; V39-F43 PolarHBondContact O-N 2.54Å; V39-I73 HydrophobicContact CG2-CD1 4.4Å; V39-Y76 HydrophobicContact CG1-CD1 4.13Å; V39-Y76 HydrophobicContact CG1-CE1 4.21Å |
| 40 | N | 85.5 | Confident | 76.5 | Confident | 49 Ų | 49 | 68.4 Ų | 68.4 | 26% | 0.262 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.5 | -46 | 178.8 | -67.2 | 3.8 | 0 | 0 | 0 | 111.4 | L36 E37 F43 T44 Y76 | L36-N40 WeakPolarHBondContact CD1-OD1 3.27Å; L36-N40 WeakPolarHBondContact O-CB 3.41Å; L36-N40 PolarHBondContact O-N 3.43Å; L36-N40 PolarHBondContact O-OD1 3.26Å; E37-N40 PolarHBondContact O-N 3Å; N40-F43 PolarHBondContact O-N 2.91Å; N40-T44 WeakPolarHBondContact O-CG2 3.5Å; N40-T44 PolarHBondContact O-N 3.19Å; N40-T44 PolarHBondContact O-OG1 3.03Å; N40-Y76 HydrophobicContact CB-CE2 4.35Å; N40-Y76 VanDerWaalsContact CG-CE2 3.41Å; N40-Y76 VanDerWaalsContact CG-CZ 3.45Å; N40-Y76 WeakPolarHBondContact OD1-CD1 3.23Å; N40-Y76 VanDerWaalsContact OD1-CD2 3.23Å; N40-Y76 WeakPolarHBondContact OD1-CD2 3.4Å; N40-Y76 WeakPolarHBondContact OD1-CE1 3.24Å; N40-Y76 WeakPolarHBondContact OD1-CE2 3.47Å |
| 41 | H | 82.2 | Confident | 75.3 | Confident | 106 Ų | 106 | 71.9 Ų | 71.9 | 49% | 0.491 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.6 | -48.4 | 179.3 | -170 | -70.9 | 0 | 0 | 0 | 111.3 | E37 L38 V39 F43 T44 Q45 | E37-H41 WeakPolarHBondContact O-CB 3.35Å; E37-H41 PolarHBondContact O-N 3.16Å; L38-H41 PolarHBondContact O-N 3.01Å; V39-H41 VanDerWaalsContact C-N 3.35Å; V39-H41 PolarHBondContact O-N 3.08Å; H41-F43 VanDerWaalsContact C-N 3.35Å; H41-F43 PolarHBondContact O-N 3.42Å; H41-T44 PolarHBondContact O-N 3.41Å; H41-T44 PolarHBondContact O-OG1 2.76Å; H41-Q45 PolarHBondContact CE1-NE2 3.46Å; H41-Q45 PolarHBondContact CE1-OE1 3.21Å; H41-Q45 VanDerWaalsContact CE1-OE1 3.27Å; H41-Q45 PolarHBondContact ND1-OE1 3.04Å; H41-Q45 VanDerWaalsContact ND1-OE1 3.15Å; H41-Q45 WeakPolarHBondContact O-CG 3.49Å; H41-Q45 PolarHBondContact O-N 3.2Å; H41-Q45 VanDerWaalsContact O-N 3.14Å |
| 42 | L | 79.9 | Confident | 74.2 | Confident | 20 Ų | 20 | 79.3 Ų | 79.3 | 11% | 0.105 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -65 | -37.6 | 178.9 | -67.6 | 176 | 0 | 0 | 0 | 112.2 | L26 I27 A30 L38 V39 Q45 C46 | L26-L42 HydrophobicContact CB-CD1 4.08Å; I27-L42 HydrophobicContact CB-CD1 4.42Å; I27-L42 HydrophobicContact CD1-CB 4.23Å; I27-L42 HydrophobicContact CG1-CB 3.61Å; I27-L42 HydrophobicContact CG1-CD1 3.74Å; I27-L42 HydrophobicContact CG1-CG 4.29Å; A30-L42 HydrophobicContact CB-CD1 4.38Å; L38-L42 HydrophobicContact CD2-CD1 3.5Å; L38-L42 HydrophobicContact CD2-CG 4.15Å; L38-L42 HydrophobicContact CG-CD1 4.48Å; L38-L42 WeakPolarHBondContact O-CB 3.29Å; L38-L42 VanDerWaalsContact O-CG 3.27Å; L38-L42 WeakPolarHBondContact O-CG 3.4Å; L38-L42 PolarHBondContact O-N 3.46Å; V39-L42 PolarHBondContact O-N 2.9Å; L42-Q45 PolarHBondContact O-N 3.46Å; L42-C46 WeakPolarHBondContact O-CB 3.5Å; L42-C46 PolarHBondContact O-N 3.07Å; L42-C46 VanDerWaalsContact O-N 3.11Å; L42-C46 PolarHBondContact O-SG 2.81Å |
| 43 | F | 77.9 | Confident | 73.6 | Confident | 17 Ų | 17 | 77.8 Ų | 77.8 | 8% | 0.075 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -63.8 | -39 | 174 | -97.4 | -106.3 | 0 | 0 | 0 | 112.5 | I27 V39 N40 H41 Q45 F51 L61 Y76 L77 V82 | I27-F43 HydrophobicContact CG2-CD2 4.4Å; I27-F43 HydrophobicContact CG2-CE2 3.82Å; V39-F43 HydrophobicContact CG1-CD2 3.86Å; V39-F43 HydrophobicContact CG1-CE2 4.05Å; V39-F43 WeakPolarHBondContact O-CB 3.34Å; V39-F43 WeakPolarHBondContact O-CD2 3.23Å; V39-F43 PolarHBondContact O-N 2.54Å; N40-F43 PolarHBondContact O-N 2.91Å; H41-F43 VanDerWaalsContact C-N 3.35Å; H41-F43 PolarHBondContact O-N 3.42Å; F43-Q45 VanDerWaalsContact C-N 3.34Å; F43-Q45 PolarHBondContact O-N 2.9Å; F43-F51 HydrophobicContact CD1-CE1 4.06Å; F43-F51 HydrophobicContact CD1-CZ 4.12Å; F43-F51 HydrophobicContact CE1-CD1 4.14Å; F43-F51 AromaticContact CE1-CE1 3.58Å; F43-F51 HydrophobicContact CE1-CE1 3.58Å; F43-F51 AromaticContact CE1-CZ 3.89Å; F43-F51 HydrophobicContact CE1-CZ 3.89Å; F43-F51 HydrophobicContact CE2-CE1 4.44Å; F43-F51 HydrophobicContact CZ-CD1 4.07Å; F43-F51 AromaticContact CZ-CE1 3.79Å; F43-F51 HydrophobicContact CZ-CE1 3.79Å; F43-L61 HydrophobicContact CZ-CD1 4.32Å; F43-Y76 HydrophobicContact CB-CE1 4.28Å; F43-Y76 HydrophobicContact CD1-CE1 4.48Å; F43-Y76 HydrophobicContact CG-CE1 4.19Å; F43-L77 HydrophobicContact CE1-CD2 4.06Å; F43-L77 HydrophobicContact CE2-CD2 3.65Å; F43-L77 HydrophobicContact CZ-CD2 3.29Å; F43-V82 HydrophobicContact CE1-CG2 4.16Å; F43-V82 HydrophobicContact CZ-CG2 4.29Å |
| 44 | T | 76.2 | Confident | 73.4 | Confident | 103 Ų | 103 | 75.9 Ų | 75.9 | 63% | 0.632 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -70.8 | -27.6 | 177.1 | 58.1 | 0 | 0 | 0 | 0 | 113.8 | N40 H41 | N40-T44 WeakPolarHBondContact O-CG2 3.5Å; N40-T44 PolarHBondContact O-N 3.19Å; N40-T44 PolarHBondContact O-OG1 3.03Å; H41-T44 PolarHBondContact O-N 3.41Å; H41-T44 PolarHBondContact O-OG1 2.76Å |
| 45 | Q | 70.2 | Confident | 73.3 | Confident | 125 Ų | 125 | 77.1 Ų | 77.1 | 58% | 0.584 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -81.7 | -28.4 | 178.4 | -71.5 | -172.5 | -48.1 | 0 | 0 | 113 | H41 L42 F43 S47 | H41-Q45 PolarHBondContact CE1-NE2 3.46Å; H41-Q45 PolarHBondContact CE1-OE1 3.21Å; H41-Q45 VanDerWaalsContact CE1-OE1 3.27Å; H41-Q45 PolarHBondContact ND1-OE1 3.04Å; H41-Q45 VanDerWaalsContact ND1-OE1 3.15Å; H41-Q45 WeakPolarHBondContact O-CG 3.49Å; H41-Q45 PolarHBondContact O-N 3.2Å; H41-Q45 VanDerWaalsContact O-N 3.14Å; L42-Q45 PolarHBondContact O-N 3.46Å; F43-Q45 VanDerWaalsContact C-N 3.34Å; F43-Q45 PolarHBondContact O-N 2.9Å; Q45-S47 PolarHBondContact O-N 3.11Å |
| 46 | C | 62.5 | Low | 73 | Confident | 13 Ų | 13 | 82.1 Ų | 82.1 | 9% | 0.088 | 42% | 0.424 | C | S | . | . | trans | -100.5 | 66.3 | -177.7 | -53.7 | 0 | 0 | 0 | 0 | 110.6 | L42 N48 S49 | L42-C46 WeakPolarHBondContact O-CB 3.5Å; L42-C46 PolarHBondContact O-N 3.07Å; L42-C46 VanDerWaalsContact O-N 3.11Å; L42-C46 PolarHBondContact O-SG 2.81Å; C46-N48 PolarHBondContact O-N 3.35Å; C46-S49 VanDerWaalsContact CB-OG 3.28Å; C46-S49 WeakPolarHBondContact CB-OG 3.42Å | ||
| 47 | S | 52.5 | Low | 72.8 | Confident | 104 Ų | 104 | 84.9 Ų | 84.9 | 73% | 0.727 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | 2.9 | -175.4 | 55.9 | 0 | 0 | 0 | 0 | 115.2 | Q45 | Q45-S47 PolarHBondContact O-N 3.11Š|
| 48 | N | 49.5 | Very low | 72.8 | Confident | 155 Ų | 155 | 77.4 Ų | 77.4 | 83% | 0.829 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -151.9 | 15.8 | -178 | -99.4 | -7.7 | 0 | 0 | 0 | 114.5 | C46 | C46-N48 PolarHBondContact O-N 3.35Š|
| 49 | S | 54.2 | Low | 73 | Confident | 16 Ų | 16 | 74.1 Ų | 74.1 | 11% | 0.112 | 39% | 0.388 | C | S | . | . | trans | -76.1 | 129.9 | 176.6 | 54.5 | 0 | 0 | 0 | 0 | 110 | C46 F51 | C46-S49 VanDerWaalsContact CB-OG 3.28Å; C46-S49 WeakPolarHBondContact CB-OG 3.42Å; S49-F51 WeakPolarHBondContact O-CD2 3.31Å; S49-F51 PolarHBondContact O-N 3.3Å | ||
| 50 | N | 53.4 | Low | 73.2 | Confident | 119 Ų | 119 | 74.3 Ų | 74.3 | 64% | 0.636 | 39% | 0.39 | S | S | * | . | trans | -62.7 | 100.6 | 175.8 | -81.6 | -20.7 | 0 | 0 | 0 | 109.4 | E52 | N50-E52 PolarHBondContact O-N 2.72Š| ||
| 51 | F | 62.6 | Low | 73.4 | Confident | 78 Ų | 78 | 72.1 Ų | 72.1 | 34% | 0.342 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | 13.6 | 173.1 | -53.9 | -71.8 | 0 | 0 | 0 | 113.9 | F43 S49 N53 L61 | F43-F51 HydrophobicContact CD1-CE1 4.06Å; F43-F51 HydrophobicContact CD1-CZ 4.12Å; F43-F51 HydrophobicContact CE1-CD1 4.14Å; F43-F51 AromaticContact CE1-CE1 3.58Å; F43-F51 HydrophobicContact CE1-CE1 3.58Å; F43-F51 AromaticContact CE1-CZ 3.89Å; F43-F51 HydrophobicContact CE1-CZ 3.89Å; F43-F51 HydrophobicContact CE2-CE1 4.44Å; F43-F51 HydrophobicContact CZ-CD1 4.07Å; F43-F51 AromaticContact CZ-CE1 3.79Å; F43-F51 HydrophobicContact CZ-CE1 3.79Å; S49-F51 WeakPolarHBondContact O-CD2 3.31Å; S49-F51 PolarHBondContact O-N 3.3Å; F51-N53 VanDerWaalsContact C-N 3.34Å; F51-L61 HydrophobicContact CB-CD1 4.31Å; F51-L61 HydrophobicContact CD1-CD1 3.86Å |
| 52 | E | 63 | Low | 73.9 | Confident | 156 Ų | 156 | 67 Ų | 67 | 73% | 0.729 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -5.8 | 178.5 | -60.4 | -172.7 | 165 | 0 | 0 | 112.6 | N50 L54 | N50-E52 PolarHBondContact O-N 2.72Å; E52-L54 PolarHBondContact O-N 2.96Å |
| 53 | N | 74.3 | Confident | 74.4 | Confident | 61 Ų | 61 | 66.1 Ų | 66.1 | 33% | 0.326 | 35% | 0.349 | S | S | . | . | trans | -61.9 | 135.3 | 174.7 | -71.3 | -13.6 | 0 | 0 | 0 | 110.6 | Y24 F51 | Y24-N53 HydrophobicContact CD1-CB 4.25Å; Y24-N53 HydrophobicContact CD2-CB 3.59Å; Y24-N53 HydrophobicContact CE1-CB 4.29Å; Y24-N53 HydrophobicContact CE2-CB 3.63Å; Y24-N53 WeakPolarHBondContact CE2-O 3.49Å; Y24-N53 HydrophobicContact CG-CB 3.91Å; Y24-N53 PolarHBondContact OH-O 2.86Å; F51-N53 VanDerWaalsContact C-N 3.34Å | ||
| 54 | L | 81.8 | Confident | 75 | Confident | 91 Ų | 91 | 65.8 Ų | 65.8 | 48% | 0.476 | 35% | 0.348 | S | S | . | . | trans | -118.4 | 149.3 | -178.6 | -54 | 176.9 | 0 | 0 | 0 | 109.6 | E52 N59 | E52-L54 PolarHBondContact O-N 2.96Å; L54-N59 WeakPolarHBondContact CA-O 3.37Å | ||
| 55 | D | 83.7 | Confident | 75.8 | Confident | 53 Ų | 53 | 60.9 Ų | 60.9 | 28% | 0.283 | 32% | 0.318 | S | S | . | . | trans | -74 | -175.3 | 172.4 | 75.4 | 1.1 | 0 | 0 | 0 | 112.9 | Y24 D57 G58 N59 I64 | Y24-D55 PolarHBondContact OH-N 3.01Å; D55-D57 PolarHBondContact O-N 2.95Å; D55-D57 WeakPolarHBondContact OD1-CA 3.24Å; D55-D57 PolarHBondContact OD1-N 2.98Å; D55-G58 PolarHBondContact O-N 3.37Å; D55-G58 PolarHBondContact OD1-N 3.27Å; D55-N59 PolarHBondContact N-O 2.94Å; D55-N59 VanDerWaalsContact OD1-CB 3.31Å; D55-N59 WeakPolarHBondContact OD1-CB 3.46Å; D55-N59 PolarHBondContact OD1-N 3.4Å; D55-N59 PolarHBondContact OD1-ND2 2.92Å; D55-N59 WeakPolarHBondContact OD2-CB 3.36Å; D55-N59 PolarHBondContact OD2-ND2 3.3Å; D55-I64 HydrophobicContact CB-CD1 4.5Å | ||
| 56 | E | 82.2 | Confident | 76.9 | Confident | 174 Ų | 174 | 54.9 Ų | 54.9 | 81% | 0.813 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -21.5 | 178.2 | -65.7 | -172.5 | 177 | 0 | 0 | 113.7 | K89 | E56-K89 WeakPolarHBondContact O-CE 3.47Å; E56-K89 PolarHBondContact O-NZ 3.42Å |
| 57 | D | 83.5 | Confident | 78.4 | Confident | 105 Ų | 105 | 57.6 Ų | 57.6 | 56% | 0.561 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | 5.4 | 176.5 | -67.2 | -35.5 | 0 | 0 | 0 | 112 | D55 N59 K89 | D55-D57 PolarHBondContact O-N 2.95Å; D55-D57 WeakPolarHBondContact OD1-CA 3.24Å; D55-D57 PolarHBondContact OD1-N 2.98Å; D57-N59 VanDerWaalsContact C-N 3.28Å; D57-N59 WeakPolarHBondContact CB-ND2 3.43Å; D57-K89 WeakPolarHBondContact O-CB 3.48Å; D57-K89 VanDerWaalsContact O-CG 3.25Å; D57-K89 WeakPolarHBondContact O-CG 3.36Å; D57-K89 PolarHBondContact O-N 3.28Å |
| 58 | G | 86 | Confident | 80.2 | Confident | 4 Ų | 4 | 53.9 Ų | 53.9 | 4% | 0.041 | 28% | 0.277 | C | S | . | . | trans | 75.1 | 13.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114 | D55 N88 | D55-G58 PolarHBondContact O-N 3.37Å; D55-G58 PolarHBondContact OD1-N 3.27Å; G58-N88 VanDerWaalsContact O-CA 3.31Å; G58-N88 WeakPolarHBondContact O-CA 3.48Å | ||
| 59 | N | 87.8 | Confident | 82.3 | Confident | 7 Ų | 7 | 52.6 Ų | 52.6 | 4% | 0.037 | 26% | 0.264 | C | S | . | . | trans | -73.4 | 131.1 | 178.3 | -59.6 | -49.7 | 0 | 0 | 0 | 110.4 | L54 D55 D57 H63 I64 N88 | L54-N59 WeakPolarHBondContact CA-O 3.37Å; D55-N59 PolarHBondContact N-O 2.94Å; D55-N59 VanDerWaalsContact OD1-CB 3.31Å; D55-N59 WeakPolarHBondContact OD1-CB 3.46Å; D55-N59 PolarHBondContact OD1-N 3.4Å; D55-N59 PolarHBondContact OD1-ND2 2.92Å; D55-N59 WeakPolarHBondContact OD2-CB 3.36Å; D55-N59 PolarHBondContact OD2-ND2 3.3Å; D57-N59 VanDerWaalsContact C-N 3.28Å; D57-N59 WeakPolarHBondContact CB-ND2 3.43Å; N59-H63 HydrophobicContact CB-CB 3.67Å; N59-I64 HydrophobicContact CB-CG1 4.12Å; N59-N88 VanDerWaalsContact OD1-CB 3.29Å; N59-N88 WeakPolarHBondContact OD1-CB 3.5Å; N59-N88 PolarHBondContact OD1-ND2 3.49Å; N59-N88 VanDerWaalsContact OD1-ND2 3.11Å | ||
| 60 | S | 89.3 | Confident | 84 | Confident | 5 Ų | 5 | 54.9 Ų | 54.9 | 4% | 0.035 | 27% | 0.273 | C | S | . | . | trans | -77.3 | 169.2 | 167 | 71.4 | 0 | 0 | 0 | 0 | 111.7 | M62 H63 I64 T86 | S60-M62 PolarHBondContact O-N 2.54Å; S60-M62 VanDerWaalsContact O-N 3.09Å; S60-H63 PolarHBondContact N-ND1 2.95Å; S60-H63 WeakPolarHBondContact O-CB 3.33Å; S60-H63 PolarHBondContact O-N 2.92Å; S60-H63 PolarHBondContact OG-ND1 3.45Å; S60-I64 PolarHBondContact O-N 3.18Å; S60-I64 VanDerWaalsContact O-N 3.08Å; S60-T86 PolarHBondContact OG-OG1 3.17Å | ||
| 61 | L | 88.7 | Confident | 85.8 | Confident | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -49.1 | -38.8 | 174 | -71.9 | 167.6 | 0 | 0 | 0 | 113.3 | Y24 I27 V28 I31 F43 F51 I64 A65 | Y24-L61 HydrophobicContact CD2-CD2 4.29Å; Y24-L61 HydrophobicContact CD2-CG 4.5Å; Y24-L61 HydrophobicContact CE2-CD2 3.88Å; Y24-L61 HydrophobicContact CE2-CG 3.94Å; I27-L61 HydrophobicContact CG2-CD2 3.76Å; V28-L61 HydrophobicContact CG2-CD2 3.8Å; I31-L61 HydrophobicContact CD1-CB 4.33Å; I31-L61 HydrophobicContact CD1-CD2 3.65Å; F43-L61 HydrophobicContact CZ-CD1 4.32Å; F51-L61 HydrophobicContact CB-CD1 4.31Å; F51-L61 HydrophobicContact CD1-CD1 3.86Å; L61-I64 PolarHBondContact O-N 3.09Å; L61-A65 WeakPolarHBondContact O-CB 3.28Å; L61-A65 PolarHBondContact O-N 3.2Å |
| 62 | M | 91.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.7 | -40.6 | 177.8 | -171.6 | 61.3 | 74.5 | 0 | 0 | 112.5 | S60 A65 V66 V74 L77 A78 V82 L84 P94 | S60-M62 PolarHBondContact O-N 2.54Å; S60-M62 VanDerWaalsContact O-N 3.09Å; M62-A65 PolarHBondContact O-N 3.01Å; M62-V66 WeakPolarHBondContact O-CG2 3.46Å; M62-V66 PolarHBondContact O-N 3Å; M62-V66 VanDerWaalsContact O-N 3.13Å; M62-V74 HydrophobicContact SD-CG1 4Å; M62-L77 HydrophobicContact CE-CB 3.57Å; M62-L77 HydrophobicContact SD-CB 4.27Å; M62-A78 HydrophobicContact CE-CB 4.22Å; M62-V82 HydrophobicContact CB-CG1 4.11Å; M62-V82 HydrophobicContact CE-CB 4Å; M62-V82 HydrophobicContact CE-CG1 4.09Å; M62-L84 HydrophobicContact CE-CD2 3.59Å; M62-L84 HydrophobicContact CE-CG 4.15Å; M62-L84 HydrophobicContact CG-CD2 3.89Å; M62-L84 HydrophobicContact SD-CD2 3.67Å; M62-P94 HydrophobicContact CB-CG 4.04Å; M62-P94 HydrophobicContact CG-CB 3.87Å; M62-P94 HydrophobicContact CG-CG 3.56Å |
| 63 | H | 92.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.6 | -45.3 | 175.1 | -67.1 | 94.2 | 0 | 0 | 0 | 110.7 | N59 S60 A65 V66 I67 T86 E92 P94 I97 | N59-H63 HydrophobicContact CB-CB 3.67Å; S60-H63 PolarHBondContact N-ND1 2.95Å; S60-H63 WeakPolarHBondContact O-CB 3.33Å; S60-H63 PolarHBondContact O-N 2.92Å; S60-H63 PolarHBondContact OG-ND1 3.45Å; H63-A65 VanDerWaalsContact C-N 3.31Å; H63-A65 PolarHBondContact O-N 3.08Å; H63-V66 PolarHBondContact O-N 3.5Å; H63-V66 VanDerWaalsContact O-N 3.14Å; H63-I67 VanDerWaalsContact O-CG1 3.25Å; H63-I67 WeakPolarHBondContact O-CG1 3.32Å; H63-I67 PolarHBondContact O-N 3.25Å; H63-T86 PolarHBondContact CE1-O 3.46Å; H63-T86 PolarHBondContact CE1-OG1 3.47Å; H63-T86 PolarHBondContact ND1-OG1 2.98Å; H63-T86 PolarHBondContact NE2-O 2.96Å; H63-E92 PolarHBondContact NE2-O 3.41Å; H63-P94 VanDerWaalsContact NE2-CD 3.33Å; H63-P94 WeakPolarHBondContact NE2-CD 3.41Å; H63-I97 HydrophobicContact CB-CD1 4.08Å |
| 64 | I | 90 | Very high | 89.3 | Confident | 10 Ų | 10 | 41.8 Ų | 41.8 | 5% | 0.051 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.1 | -41.6 | 179.3 | -61 | 169.6 | 0 | 0 | 0 | 110.8 | V28 I31 I32 D55 N59 S60 L61 V66 I67 S68 | V28-I64 HydrophobicContact CG1-CD1 4.03Å; V28-I64 HydrophobicContact CG1-CG2 4.32Å; V28-I64 HydrophobicContact CG2-CD1 3.8Å; I31-I64 HydrophobicContact CG2-CG2 3.99Å; I32-I64 HydrophobicContact CD1-CG2 4.4Å; I32-I64 HydrophobicContact CG1-CG2 3.9Å; D55-I64 HydrophobicContact CB-CD1 4.5Å; N59-I64 HydrophobicContact CB-CG1 4.12Å; S60-I64 PolarHBondContact O-N 3.18Å; S60-I64 VanDerWaalsContact O-N 3.08Å; L61-I64 PolarHBondContact O-N 3.09Å; I64-V66 VanDerWaalsContact C-N 3.33Å; I64-V66 PolarHBondContact O-N 3.07Å; I64-I67 PolarHBondContact O-N 3.48Å; I64-S68 VanDerWaalsContact O-CB 3.31Å; I64-S68 WeakPolarHBondContact O-CB 3.35Å; I64-S68 PolarHBondContact O-N 3.18Å; I64-S68 PolarHBondContact O-OG 3.21Å |
| 65 | A | 92.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.8 | -39.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | I31 L61 M62 H63 K69 H70 I73 V74 L77 | I31-A65 VanDerWaalsContact CG2-CA 3.44Å; I31-A65 HydrophobicContact CG2-CB 3.76Å; L61-A65 WeakPolarHBondContact O-CB 3.28Å; L61-A65 PolarHBondContact O-N 3.2Å; M62-A65 PolarHBondContact O-N 3.01Å; H63-A65 VanDerWaalsContact C-N 3.31Å; H63-A65 PolarHBondContact O-N 3.08Å; A65-K69 PolarHBondContact O-N 3.27Å; A65-H70 PolarHBondContact O-N 3.06Å; A65-I73 HydrophobicContact CB-CG2 3.95Å; A65-V74 HydrophobicContact CB-CG2 3.9Å; A65-L77 HydrophobicContact CB-CD1 3.58Å |
| 66 | V | 94.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.4 | -45.8 | 174.4 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | M62 H63 I64 S68 K69 V74 P94 I97 A98 L103 I106 I110 | M62-V66 WeakPolarHBondContact O-CG2 3.46Å; M62-V66 PolarHBondContact O-N 3Å; M62-V66 VanDerWaalsContact O-N 3.13Å; H63-V66 PolarHBondContact O-N 3.5Å; H63-V66 VanDerWaalsContact O-N 3.14Å; I64-V66 VanDerWaalsContact C-N 3.33Å; I64-V66 PolarHBondContact O-N 3.07Å; V66-S68 PolarHBondContact O-N 3.38Å; V66-K69 WeakPolarHBondContact O-CA 3.26Å; V66-K69 PolarHBondContact O-N 3.08Å; V66-V74 HydrophobicContact CG2-CG2 3.88Å; V66-P94 HydrophobicContact CG2-CB 4Å; V66-I97 HydrophobicContact CG1-CB 4.22Å; V66-I97 HydrophobicContact CG1-CG2 3.99Å; V66-A98 HydrophobicContact CG1-CB 3.66Å; V66-L103 HydrophobicContact CG1-CD1 4.02Å; V66-L103 WeakPolarHBondContact O-CD1 3.36Å; V66-I106 HydrophobicContact CG1-CG2 4.34Å; V66-I106 HydrophobicContact CG2-CG2 4Å; V66-I110 HydrophobicContact CG2-CD1 4.11Å |
| 67 | I | 93.8 | Very high | 90.5 | Very high | 70 Ų | 70 | 32.3 Ų | 32.3 | 36% | 0.359 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -57.9 | -38.9 | 177.1 | -67.5 | 166.8 | 0 | 0 | 0 | 110.7 | H63 I64 K69 I97 | H63-I67 VanDerWaalsContact O-CG1 3.25Å; H63-I67 WeakPolarHBondContact O-CG1 3.32Å; H63-I67 PolarHBondContact O-N 3.25Å; I64-I67 PolarHBondContact O-N 3.48Å; I67-K69 WeakPolarHBondContact O-CG 3.5Å; I67-K69 PolarHBondContact O-N 2.78Å; I67-I97 HydrophobicContact CD1-CD1 4Å; I67-I97 HydrophobicContact CG1-CD1 4.07Å; I67-I97 HydrophobicContact CG1-CG2 3.71Å |
| 68 | S | 91 | Very high | 90.7 | Very high | 26 Ų | 26 | 28.1 Ų | 28.1 | 18% | 0.182 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -6.2 | 178.3 | -49.8 | 0 | 0 | 0 | 0 | 113.3 | I64 V66 H70 | I64-S68 VanDerWaalsContact O-CB 3.31Å; I64-S68 WeakPolarHBondContact O-CB 3.35Å; I64-S68 PolarHBondContact O-N 3.18Å; I64-S68 PolarHBondContact O-OG 3.21Å; V66-S68 PolarHBondContact O-N 3.38Å; S68-H70 VanDerWaalsContact C-N 3.29Å; S68-H70 PolarHBondContact O-CD2 3.33Å; S68-H70 VanDerWaalsContact O-CD2 3.22Å; S68-H70 PolarHBondContact O-N 3.18Å; S68-H70 PolarHBondContact O-NE2 2.89Å |
| 69 | K | 92.5 | Very high | 90.8 | Very high | 128 Ų | 128 | 34.4 Ų | 34.4 | 56% | 0.557 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | 24 | 173 | -44.6 | -178.2 | 179.4 | 178.3 | 0 | 114.8 | A65 V66 I67 L103 | A65-K69 PolarHBondContact O-N 3.27Å; V66-K69 WeakPolarHBondContact O-CA 3.26Å; V66-K69 PolarHBondContact O-N 3.08Å; I67-K69 WeakPolarHBondContact O-CG 3.5Å; I67-K69 PolarHBondContact O-N 2.78Å; K69-L103 HydrophobicContact CB-CD1 4.4Å; K69-L103 HydrophobicContact CB-CD2 4.04Å; K69-L103 HydrophobicContact CD-CD2 3.81Å; K69-L103 HydrophobicContact CG-CD1 4.01Å; K69-L103 HydrophobicContact CG-CD2 3.73Å |
| 70 | H | 89.5 | Confident | 90.7 | Very high | 64 Ų | 64 | 38.1 Ų | 38.1 | 30% | 0.296 | 18% | 0.18 | S | C | . | . | trans | -98.7 | 92.8 | -177.9 | -67.1 | -58.9 | 0 | 0 | 0 | 112.2 | I31 G34 A65 S68 E72 I73 V74 | I31-H70 PolarHBondContact O-CD2 3.42Å; G34-H70 WeakPolarHBondContact CA-CD2 3.23Å; G34-H70 VanDerWaalsContact CA-NE2 3.25Å; G34-H70 WeakPolarHBondContact CA-NE2 3.5Å; G34-H70 PolarHBondContact N-NE2 2.78Å; A65-H70 PolarHBondContact O-N 3.06Å; S68-H70 VanDerWaalsContact C-N 3.29Å; S68-H70 PolarHBondContact O-CD2 3.33Å; S68-H70 VanDerWaalsContact O-CD2 3.22Å; S68-H70 PolarHBondContact O-N 3.18Å; S68-H70 PolarHBondContact O-NE2 2.89Å; H70-E72 VanDerWaalsContact C-N 3.32Å; H70-E72 PolarHBondContact O-N 3.28Å; H70-I73 HydrophobicContact CB-CB 4.07Å; H70-I73 HydrophobicContact CB-CD1 3.86Å; H70-I73 HydrophobicContact CB-CG1 3.98Å; H70-I73 PolarHBondContact O-N 3.48Å; H70-I73 VanDerWaalsContact O-N 3.12Å; H70-V74 PolarHBondContact O-N 3.15Å; H70-V74 VanDerWaalsContact O-N 3.09Å | ||
| 71 | L | 91.2 | Very high | 90.4 | Very high | 33 Ų | 33 | 45 Ų | 45 | 17% | 0.173 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -53.4 | -44.3 | -178.9 | 177.1 | 65.3 | 0 | 0 | 0 | 113.4 | I73 V74 R75 L105 I106 Y109 | L71-I73 VanDerWaalsContact C-N 3.27Å; L71-I73 PolarHBondContact O-N 3.3Å; L71-V74 PolarHBondContact O-N 2.9Å; L71-R75 HydrophobicContact CD1-CG 4.44Å; L71-R75 WeakPolarHBondContact O-CG 3.36Å; L71-R75 PolarHBondContact O-N 3Å; L71-L105 HydrophobicContact CD2-CB 4.08Å; L71-I106 HydrophobicContact CB-CG1 4.07Å; L71-I106 HydrophobicContact CD1-CB 4.48Å; L71-I106 HydrophobicContact CD1-CG1 3.78Å; L71-Y109 HydrophobicContact CD1-CG 4.37Å |
| 72 | E | 91.2 | Very high | 90.2 | Very high | 104 Ų | 104 | 45.4 Ų | 45.4 | 49% | 0.486 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -66.4 | -31.2 | -177.1 | -60.1 | -55.8 | 141 | 0 | 0 | 112.3 | L36 H70 R75 Y76 | L36-E72 HydrophobicContact CD2-CB 4.36Å; H70-E72 VanDerWaalsContact C-N 3.32Å; H70-E72 PolarHBondContact O-N 3.28Å; E72-R75 IonicContact OE1-NH1 3.84Å; E72-R75 PolarHBondContact OE1-NH1 2.85Å; E72-R75 IonicContact OE2-NH1 3.71Å; E72-Y76 WeakPolarHBondContact O-CB 3.11Å; E72-Y76 PolarHBondContact O-N 3.24Å |
| 73 | I | 90.9 | Very high | 89.9 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -73.3 | -42.6 | 174.2 | -61.6 | -178.1 | 0 | 0 | 0 | 110.1 | I31 L36 V39 A65 H70 L71 R75 Y76 L77 | I31-I73 HydrophobicContact CG1-CG2 4.03Å; I31-I73 HydrophobicContact CG2-CG2 4.2Å; L36-I73 HydrophobicContact CB-CG1 4.47Å; L36-I73 HydrophobicContact CD1-CG1 4.22Å; V39-I73 HydrophobicContact CG2-CD1 4.4Å; A65-I73 HydrophobicContact CB-CG2 3.95Å; H70-I73 HydrophobicContact CB-CB 4.07Å; H70-I73 HydrophobicContact CB-CD1 3.86Å; H70-I73 HydrophobicContact CB-CG1 3.98Å; H70-I73 PolarHBondContact O-N 3.48Å; H70-I73 VanDerWaalsContact O-N 3.12Å; L71-I73 VanDerWaalsContact C-N 3.27Å; L71-I73 PolarHBondContact O-N 3.3Å; I73-R75 VanDerWaalsContact C-N 3.27Å; I73-R75 PolarHBondContact O-N 3.34Å; I73-Y76 PolarHBondContact O-N 3.43Å; I73-L77 HydrophobicContact CG2-CD1 3.94Å; I73-L77 HydrophobicContact CG2-CG 4.16Å; I73-L77 WeakPolarHBondContact O-CB 2.95Å; I73-L77 VanDerWaalsContact O-CG 3.28Å; I73-L77 WeakPolarHBondContact O-CG 3.46Å; I73-L77 PolarHBondContact O-N 3.43Å |
| 74 | V | 92.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.2 | -43.1 | 174.6 | 174.8 | 0 | 0 | 0 | 0 | 110.9 | M62 A65 V66 H70 L71 A78 I106 Y109 I110 | M62-V74 HydrophobicContact SD-CG1 4Å; A65-V74 HydrophobicContact CB-CG2 3.9Å; V66-V74 HydrophobicContact CG2-CG2 3.88Å; H70-V74 PolarHBondContact O-N 3.15Å; H70-V74 VanDerWaalsContact O-N 3.09Å; L71-V74 PolarHBondContact O-N 2.9Å; V74-A78 WeakPolarHBondContact O-CB 3.29Å; V74-A78 PolarHBondContact O-N 3.16Å; V74-I106 HydrophobicContact CG1-CG2 4.38Å; V74-I106 HydrophobicContact CG2-CD1 4.46Å; V74-I106 HydrophobicContact CG2-CG2 4.45Å; V74-Y109 HydrophobicContact CG1-CD1 4.12Å; V74-Y109 HydrophobicContact CG1-CE1 4.27Å; V74-I110 HydrophobicContact CG1-CG1 4.37Å |
| 75 | R | 92.9 | Very high | 89.7 | Confident | 91 Ų | 91 | 55 Ų | 55 | 34% | 0.343 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.8 | -51.8 | 174.6 | -74.5 | 179.1 | 168.5 | 174.6 | -4.1 | 112.1 | L71 E72 I73 L77 A78 E79 Y109 | L71-R75 HydrophobicContact CD1-CG 4.44Å; L71-R75 WeakPolarHBondContact O-CG 3.36Å; L71-R75 PolarHBondContact O-N 3Å; E72-R75 IonicContact OE1-NH1 3.84Å; E72-R75 PolarHBondContact OE1-NH1 2.85Å; E72-R75 IonicContact OE2-NH1 3.71Å; I73-R75 VanDerWaalsContact C-N 3.27Å; I73-R75 PolarHBondContact O-N 3.34Å; R75-L77 PolarHBondContact O-N 3.03Å; R75-A78 PolarHBondContact O-N 3.37Å; R75-E79 WeakPolarHBondContact O-CG 3.3Å; R75-E79 PolarHBondContact O-N 3.4Å; R75-Y109 HydrophobicContact CB-CE1 4.31Å; R75-Y109 HydrophobicContact CG-CD1 4.07Å; R75-Y109 HydrophobicContact CG-CD2 3.96Å; R75-Y109 HydrophobicContact CG-CE1 3.77Å; R75-Y109 HydrophobicContact CG-CE2 3.64Å; R75-Y109 HydrophobicContact CG-CG 4.16Å |
| 76 | Y | 90.5 | Very high | 89.6 | Confident | 28 Ų | 28 | 56.5 Ų | 56.5 | 11% | 0.11 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59 | -46.5 | -179.6 | -178 | -96.8 | 0 | 0 | 0 | 112 | L36 V39 N40 F43 E72 I73 A78 E79 H80 | L36-Y76 HydrophobicContact CD1-CD1 4.34Å; L36-Y76 HydrophobicContact CD1-CD2 4.27Å; L36-Y76 HydrophobicContact CD1-CG 3.83Å; V39-Y76 HydrophobicContact CG1-CD1 4.13Å; V39-Y76 HydrophobicContact CG1-CE1 4.21Å; N40-Y76 HydrophobicContact CB-CE2 4.35Å; N40-Y76 VanDerWaalsContact CG-CE2 3.41Å; N40-Y76 VanDerWaalsContact CG-CZ 3.45Å; N40-Y76 WeakPolarHBondContact OD1-CD1 3.23Å; N40-Y76 VanDerWaalsContact OD1-CD2 3.23Å; N40-Y76 WeakPolarHBondContact OD1-CD2 3.4Å; N40-Y76 WeakPolarHBondContact OD1-CE1 3.24Å; N40-Y76 WeakPolarHBondContact OD1-CE2 3.47Å; F43-Y76 HydrophobicContact CB-CE1 4.28Å; F43-Y76 HydrophobicContact CD1-CE1 4.48Å; F43-Y76 HydrophobicContact CG-CE1 4.19Å; E72-Y76 WeakPolarHBondContact O-CB 3.11Å; E72-Y76 PolarHBondContact O-N 3.24Å; I73-Y76 PolarHBondContact O-N 3.43Å; Y76-A78 VanDerWaalsContact C-N 3.32Å; Y76-A78 PolarHBondContact O-N 3.41Å; Y76-E79 PolarHBondContact O-N 3.22Å; Y76-H80 AromaticContact CD1-ND1 3.97Å; Y76-H80 AromaticContact CD2-CE1 3.54Å; Y76-H80 AromaticContact CD2-ND1 3.79Å; Y76-H80 AromaticContact CE1-CE1 3.86Å; Y76-H80 AromaticContact CE1-ND1 3.76Å; Y76-H80 AromaticContact CE2-CE1 2.97Å; Y76-H80 WeakPolarHBondContact CE2-CE1 3.48Å; Y76-H80 AromaticContact CE2-ND1 3.58Å; Y76-H80 AromaticContact CE2-NE2 3.62Å; Y76-H80 AromaticContact CG-ND1 3.98Å; Y76-H80 AromaticContact CZ-CE1 3.16Å; Y76-H80 AromaticContact CZ-ND1 3.55Å; Y76-H80 AromaticContact CZ-NE2 3.43Å; Y76-H80 PolarHBondContact O-N 3.16Å; Y76-H80 VanDerWaalsContact O-N 3.08Å; Y76-H80 PolarHBondContact O-ND1 3.06Å; Y76-H80 PolarHBondContact OH-CE1 2.83Å; Y76-H80 PolarHBondContact OH-NE2 3.02Å; Y76-H80 VanDerWaalsContact OH-NE2 3.17Å |
| 77 | L | 88.7 | Confident | 89.5 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.1 | -40 | 178 | -67.1 | 175.7 | 0 | 0 | 0 | 111.8 | I31 F43 M62 A65 I73 R75 H80 V82 | I31-L77 HydrophobicContact CD1-CD1 4.2Å; F43-L77 HydrophobicContact CE1-CD2 4.06Å; F43-L77 HydrophobicContact CE2-CD2 3.65Å; F43-L77 HydrophobicContact CZ-CD2 3.29Å; M62-L77 HydrophobicContact CE-CB 3.57Å; M62-L77 HydrophobicContact SD-CB 4.27Å; A65-L77 HydrophobicContact CB-CD1 3.58Å; I73-L77 HydrophobicContact CG2-CD1 3.94Å; I73-L77 HydrophobicContact CG2-CG 4.16Å; I73-L77 WeakPolarHBondContact O-CB 2.95Å; I73-L77 VanDerWaalsContact O-CG 3.28Å; I73-L77 WeakPolarHBondContact O-CG 3.46Å; I73-L77 PolarHBondContact O-N 3.43Å; R75-L77 PolarHBondContact O-N 3.03Å; L77-H80 CarbonylContact O-C 3.56Å; L77-H80 PolarHBondContact O-N 3.01Å; L77-V82 HydrophobicContact CB-CB 4.16Å; L77-V82 HydrophobicContact CB-CG2 4.15Å; L77-V82 HydrophobicContact CD2-CG2 4.12Å; L77-V82 VanDerWaalsContact O-CB 3.27Å; L77-V82 WeakPolarHBondContact O-CB 3.17Å; L77-V82 WeakPolarHBondContact O-CG2 3.24Å; L77-V82 PolarHBondContact O-N 3.41Å |
| 78 | A | 87.9 | Confident | 89.4 | Confident | 17 Ų | 17 | 57.5 Ų | 57.5 | 14% | 0.14 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.4 | -40.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | M62 V74 R75 Y76 H80 N81 L84 Y109 | M62-A78 HydrophobicContact CE-CB 4.22Å; V74-A78 WeakPolarHBondContact O-CB 3.29Å; V74-A78 PolarHBondContact O-N 3.16Å; R75-A78 PolarHBondContact O-N 3.37Å; Y76-A78 VanDerWaalsContact C-N 3.32Å; Y76-A78 PolarHBondContact O-N 3.41Å; A78-H80 PolarHBondContact O-N 2.88Å; A78-N81 PolarHBondContact O-N 3.01Å; A78-L84 HydrophobicContact CB-CD1 4.25Å; A78-L84 HydrophobicContact CB-CD2 4.48Å; A78-Y109 HydrophobicContact CB-CE1 4.03Å |
| 79 | E | 88.2 | Confident | 89.5 | Confident | 135 Ų | 135 | 62 Ų | 62 | 63% | 0.631 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -63.9 | -27.7 | 174.4 | -72.2 | 173.6 | -175.1 | 0 | 0 | 112.7 | R75 Y76 N81 | R75-E79 WeakPolarHBondContact O-CG 3.3Å; R75-E79 PolarHBondContact O-N 3.4Å; Y76-E79 PolarHBondContact O-N 3.22Å; E79-N81 VanDerWaalsContact C-N 3.26Å; E79-N81 PolarHBondContact O-N 2.94Å |
| 80 | H | 86.3 | Confident | 89.5 | Confident | 85 Ų | 85 | 60.3 Ų | 60.3 | 39% | 0.394 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 22.2 | 176.3 | -68.2 | 69 | 0 | 0 | 0 | 113 | Y76 L77 A78 V82 | Y76-H80 AromaticContact CD1-ND1 3.97Å; Y76-H80 AromaticContact CD2-CE1 3.54Å; Y76-H80 AromaticContact CD2-ND1 3.79Å; Y76-H80 AromaticContact CE1-CE1 3.86Å; Y76-H80 AromaticContact CE1-ND1 3.76Å; Y76-H80 AromaticContact CE2-CE1 2.97Å; Y76-H80 WeakPolarHBondContact CE2-CE1 3.48Å; Y76-H80 AromaticContact CE2-ND1 3.58Å; Y76-H80 AromaticContact CE2-NE2 3.62Å; Y76-H80 AromaticContact CG-ND1 3.98Å; Y76-H80 AromaticContact CZ-CE1 3.16Å; Y76-H80 AromaticContact CZ-ND1 3.55Å; Y76-H80 AromaticContact CZ-NE2 3.43Å; Y76-H80 PolarHBondContact O-N 3.16Å; Y76-H80 VanDerWaalsContact O-N 3.08Å; Y76-H80 PolarHBondContact O-ND1 3.06Å; Y76-H80 PolarHBondContact OH-CE1 2.83Å; Y76-H80 PolarHBondContact OH-NE2 3.02Å; Y76-H80 VanDerWaalsContact OH-NE2 3.17Å; L77-H80 CarbonylContact O-C 3.56Å; L77-H80 PolarHBondContact O-N 3.01Å; A78-H80 PolarHBondContact O-N 2.88Å; H80-V82 PolarHBondContact O-N 3.01Å |
| 81 | N | 83.1 | Confident | 89.7 | Confident | 150 Ų | 150 | 57.8 Ų | 57.8 | 80% | 0.802 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 23.4 | 177.1 | -58.8 | -51.9 | 0 | 0 | 0 | 114.9 | A78 E79 P83 | A78-N81 PolarHBondContact O-N 3.01Å; E79-N81 VanDerWaalsContact C-N 3.26Å; E79-N81 PolarHBondContact O-N 2.94Å; N81-P83 WeakPolarHBondContact O-CD 3.43Å |
| 82 | V | 84.5 | Confident | 89.8 | Confident | 11 Ų | 11 | 56.7 Ų | 56.7 | 7% | 0.067 | 28% | 0.28 | C | S | . | . | trans | -68 | 124.3 | 170.1 | -179.9 | 0 | 0 | 0 | 0 | 108.3 | F43 M62 L77 H80 L84 | F43-V82 HydrophobicContact CE1-CG2 4.16Å; F43-V82 HydrophobicContact CZ-CG2 4.29Å; M62-V82 HydrophobicContact CB-CG1 4.11Å; M62-V82 HydrophobicContact CE-CB 4Å; M62-V82 HydrophobicContact CE-CG1 4.09Å; L77-V82 HydrophobicContact CB-CB 4.16Å; L77-V82 HydrophobicContact CB-CG2 4.15Å; L77-V82 HydrophobicContact CD2-CG2 4.12Å; L77-V82 VanDerWaalsContact O-CB 3.27Å; L77-V82 WeakPolarHBondContact O-CB 3.17Å; L77-V82 WeakPolarHBondContact O-CG2 3.24Å; L77-V82 PolarHBondContact O-N 3.41Å; H80-V82 PolarHBondContact O-N 3.01Å; V82-L84 PolarHBondContact O-N 3.43Å | ||
| 83 | P | 85.4 | Confident | 90 | Very high | 47 Ų | 47 | 51.8 Ų | 51.8 | 31% | 0.305 | 26% | 0.256 | S | S | . | . | trans | -64.5 | 124.8 | -171.4 | 21.1 | -31.2 | 0 | 0 | 0 | 112.6 | N81 Y85 T86 | N81-P83 WeakPolarHBondContact O-CD 3.43Å; P83-Y85 VanDerWaalsContact C-N 3.28Å; P83-Y85 HydrophobicContact CB-CD1 4.07Å; P83-Y85 HydrophobicContact CB-CE1 3.64Å; P83-Y85 HydrophobicContact CB-CE2 4.33Å; P83-Y85 PolarHBondContact O-N 2.9Å; P83-T86 HydrophobicContact CB-CG2 4.01Å; P83-T86 HydrophobicContact CG-CG2 3.64Å | ||
| 84 | L | 87.9 | Confident | 90.2 | Very high | 18 Ų | 18 | 51.7 Ų | 51.7 | 9% | 0.094 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -5.7 | 176.5 | -71.6 | 163.4 | 0 | 0 | 0 | 113.9 | M62 A78 V82 P94 I110 V113 L117 | M62-L84 HydrophobicContact CE-CD2 3.59Å; M62-L84 HydrophobicContact CE-CG 4.15Å; M62-L84 HydrophobicContact CG-CD2 3.89Å; M62-L84 HydrophobicContact SD-CD2 3.67Å; A78-L84 HydrophobicContact CB-CD1 4.25Å; A78-L84 HydrophobicContact CB-CD2 4.48Å; V82-L84 PolarHBondContact O-N 3.43Å; L84-P94 WeakPolarHBondContact O-CD 3.44Å; L84-I110 HydrophobicContact CD2-CG1 4.28Å; L84-V113 HydrophobicContact CD1-CB 4.13Å; L84-V113 HydrophobicContact CD1-CG1 3.56Å; L84-L117 HydrophobicContact CB-CD1 3.85Å |
| 85 | Y | 88.8 | Confident | 90.4 | Very high | 145 Ų | 145 | 51.7 Ų | 51.7 | 57% | 0.569 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.1 | 8.4 | -175.7 | 59.9 | -94 | 0 | 0 | 0 | 113.3 | P83 | P83-Y85 VanDerWaalsContact C-N 3.28Å; P83-Y85 HydrophobicContact CB-CD1 4.07Å; P83-Y85 HydrophobicContact CB-CE1 3.64Å; P83-Y85 HydrophobicContact CB-CE2 4.33Å; P83-Y85 PolarHBondContact O-N 2.9Å |
| 86 | T | 89.9 | Confident | 90.5 | Very high | 33 Ų | 33 | 47.3 Ų | 47.3 | 20% | 0.202 | 24% | 0.24 | C | C | . | . | trans | -60.2 | 153.5 | 173.7 | 50.6 | 0 | 0 | 0 | 0 | 110 | S60 H63 P83 T93 P94 | S60-T86 PolarHBondContact OG-OG1 3.17Å; H63-T86 PolarHBondContact CE1-O 3.46Å; H63-T86 PolarHBondContact CE1-OG1 3.47Å; H63-T86 PolarHBondContact ND1-OG1 2.98Å; H63-T86 PolarHBondContact NE2-O 2.96Å; P83-T86 HydrophobicContact CB-CG2 4.01Å; P83-T86 HydrophobicContact CG-CG2 3.64Å; T86-T93 WeakPolarHBondContact O-CA 3.47Å; T86-P94 WeakPolarHBondContact O-CD 3.47Å | ||
| 87 | V | 92.6 | Very high | 90.8 | Very high | 76 Ų | 76 | 46.4 Ų | 46.4 | 46% | 0.461 | 24% | 0.237 | S | C | . | . | trans | -123.8 | 138.9 | 178.4 | -69.6 | 0 | 0 | 0 | 0 | 110.2 | E92 T93 | V87-E92 VanDerWaalsContact CA-O 3.31Å; V87-E92 WeakPolarHBondContact CA-O 3.45Å; V87-T93 HydrophobicContact CG1-CG2 3.77Å | ||
| 88 | N | 92.8 | Very high | 91.1 | Very high | 14 Ų | 14 | 46.4 Ų | 46.4 | 8% | 0.075 | 24% | 0.237 | C | C | . | . | trans | -85.5 | -171.6 | 176.5 | 72.3 | 1.5 | 0 | 0 | 0 | 112.7 | G58 N59 D90 G91 E92 | G58-N88 VanDerWaalsContact O-CA 3.31Å; G58-N88 WeakPolarHBondContact O-CA 3.48Å; N59-N88 VanDerWaalsContact OD1-CB 3.29Å; N59-N88 WeakPolarHBondContact OD1-CB 3.5Å; N59-N88 PolarHBondContact OD1-ND2 3.49Å; N59-N88 VanDerWaalsContact OD1-ND2 3.11Å; N88-D90 PolarHBondContact O-N 3.13Å; N88-D90 VanDerWaalsContact O-N 3.16Å; N88-D90 WeakPolarHBondContact OD1-CA 3.33Å; N88-D90 PolarHBondContact OD1-N 3.46Å; N88-G91 PolarHBondContact O-N 3.47Å; N88-G91 PolarHBondContact OD1-N 2.9Å; N88-E92 PolarHBondContact N-O 3.14Å; N88-E92 WeakPolarHBondContact OD1-CB 3.41Å; N88-E92 PolarHBondContact OD1-N 3.16Å; N88-E92 PolarHBondContact OD1-O 3.16Å | ||
| 89 | K | 92.6 | Very high | 91.5 | Very high | 121 Ų | 121 | 45.6 Ų | 45.6 | 53% | 0.526 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -17 | 176.7 | -73.5 | 179.4 | -173.9 | -175.7 | 0 | 113.6 | E56 D57 G91 K123 | E56-K89 WeakPolarHBondContact O-CE 3.47Å; E56-K89 PolarHBondContact O-NZ 3.42Å; D57-K89 WeakPolarHBondContact O-CB 3.48Å; D57-K89 VanDerWaalsContact O-CG 3.25Å; D57-K89 WeakPolarHBondContact O-CG 3.36Å; D57-K89 PolarHBondContact O-N 3.28Å; K89-G91 VanDerWaalsContact C-N 3.35Å; K89-K123 VanDerWaalsContact O-CD 3.26Å; K89-K123 WeakPolarHBondContact O-CD 3.36Å; K89-K123 WeakPolarHBondContact O-CE 3.32Å; K89-K123 PolarHBondContact O-NZ 2.93Å |
| 90 | D | 92.5 | Very high | 91.9 | Very high | 92 Ų | 92 | 43 Ų | 43 | 49% | 0.492 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 1.9 | 173.2 | -67.8 | -32.5 | 0 | 0 | 0 | 112.7 | N88 E92 K123 | N88-D90 PolarHBondContact O-N 3.13Å; N88-D90 VanDerWaalsContact O-N 3.16Å; N88-D90 WeakPolarHBondContact OD1-CA 3.33Å; N88-D90 PolarHBondContact OD1-N 3.46Å; D90-E92 HydrophobicContact CB-CG 3.99Å; D90-E92 PolarHBondContact O-N 2.94Å; D90-K123 WeakPolarHBondContact O-CB 3.43Å; D90-K123 VanDerWaalsContact O-CG 3.29Å; D90-K123 WeakPolarHBondContact O-CG 3.46Å; D90-K123 PolarHBondContact O-N 3.13Å |
| 91 | G | 93.3 | Very high | 92.3 | Very high | 11 Ų | 11 | 42.3 Ų | 42.3 | 11% | 0.113 | 22% | 0.215 | C | C | . | . | S | Bend | trans | 72.7 | 7.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | N88 K89 D122 | N88-G91 PolarHBondContact O-N 3.47Å; N88-G91 PolarHBondContact OD1-N 2.9Å; K89-G91 VanDerWaalsContact C-N 3.35Å; G91-D122 WeakPolarHBondContact O-CA 3.39Å |
| 92 | E | 94.8 | Very high | 92.8 | Very high | 11 Ų | 11 | 36.2 Ų | 36.2 | 5% | 0.051 | 19% | 0.188 | C | C | . | . | trans | -75.4 | 137 | 179.2 | -64.8 | -178.8 | 154.8 | 0 | 0 | 109.3 | H63 V87 N88 D90 H96 I97 K100 D122 | H63-E92 PolarHBondContact NE2-O 3.41Å; V87-E92 VanDerWaalsContact CA-O 3.31Å; V87-E92 WeakPolarHBondContact CA-O 3.45Å; N88-E92 PolarHBondContact N-O 3.14Å; N88-E92 WeakPolarHBondContact OD1-CB 3.41Å; N88-E92 PolarHBondContact OD1-N 3.16Å; N88-E92 PolarHBondContact OD1-O 3.16Å; D90-E92 HydrophobicContact CB-CG 3.99Å; D90-E92 PolarHBondContact O-N 2.94Å; E92-H96 HydrophobicContact CB-CB 3.78Å; E92-H96 HydrophobicContact CG-CB 4.16Å; E92-I97 HydrophobicContact CB-CG1 4.27Å; E92-K100 IonicContact OE1-NZ 3.4Å; E92-K100 PolarHBondContact OE1-NZ 2.83Å; E92-K100 IonicContact OE2-NZ 2.85Å; E92-D122 HydrophobicContact CG-CB 4.06Å | ||
| 93 | T | 95.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -88.3 | 168.6 | 167.6 | 68 | 0 | 0 | 0 | 0 | 110.7 | T86 V87 L95 H96 I97 F120 | T86-T93 WeakPolarHBondContact O-CA 3.47Å; V87-T93 HydrophobicContact CG1-CG2 3.77Å; T93-L95 PolarHBondContact O-N 3.41Å; T93-L95 VanDerWaalsContact O-N 3.11Å; T93-H96 PolarHBondContact N-ND1 3.5Å; T93-H96 WeakPolarHBondContact O-CA 3.43Å; T93-H96 VanDerWaalsContact O-CB 3.31Å; T93-H96 WeakPolarHBondContact O-CB 3.3Å; T93-H96 PolarHBondContact O-N 2.81Å; T93-H96 PolarHBondContact OG1-ND1 2.68Å; T93-I97 PolarHBondContact O-N 2.84Å; T93-I97 VanDerWaalsContact O-N 3.16Å; T93-F120 HydrophobicContact CG2-CB 4.09Å; T93-F120 HydrophobicContact CG2-CD1 4.28Å; T93-F120 HydrophobicContact CG2-CG 4.23Å | ||
| 94 | P | 94.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -53.9 | -33.6 | 173.4 | -27.2 | 35.6 | 0 | 0 | 0 | 113.3 | M62 H63 V66 L84 T86 I97 A98 I110 | M62-P94 HydrophobicContact CB-CG 4.04Å; M62-P94 HydrophobicContact CG-CB 3.87Å; M62-P94 HydrophobicContact CG-CG 3.56Å; H63-P94 VanDerWaalsContact NE2-CD 3.33Å; H63-P94 WeakPolarHBondContact NE2-CD 3.41Å; V66-P94 HydrophobicContact CG2-CB 4Å; L84-P94 WeakPolarHBondContact O-CD 3.44Å; T86-P94 WeakPolarHBondContact O-CD 3.47Å; P94-I97 PolarHBondContact O-N 3.38Å; P94-A98 WeakPolarHBondContact O-CB 3.34Å; P94-A98 PolarHBondContact O-N 2.83Å; P94-I110 HydrophobicContact CB-CD1 4.41Å |
| 95 | L | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67 | -37.4 | 174.7 | -174.3 | 57.2 | 0 | 0 | 0 | 112.6 | T93 A98 A99 V107 I110 I111 L117 L118 P128 L144 | T93-L95 PolarHBondContact O-N 3.41Å; T93-L95 VanDerWaalsContact O-N 3.11Å; L95-A98 PolarHBondContact O-N 2.89Å; L95-A99 VanDerWaalsContact O-CB 3.28Å; L95-A99 WeakPolarHBondContact O-CB 3.03Å; L95-A99 PolarHBondContact O-N 3.3Å; L95-V107 HydrophobicContact CD1-CG1 4.12Å; L95-V107 HydrophobicContact CD1-CG2 4.42Å; L95-I110 HydrophobicContact CB-CG2 3.99Å; L95-I110 HydrophobicContact CD1-CB 4.24Å; L95-I110 HydrophobicContact CD1-CG2 4.01Å; L95-I110 HydrophobicContact CG-CG2 4.39Å; L95-I111 HydrophobicContact CD1-CG1 4.29Å; L95-L117 HydrophobicContact CD2-CB 3.82Å; L95-L118 HydrophobicContact CD2-CD2 4.12Å; L95-P128 HydrophobicContact CB-CG 4.4Å; L95-P128 HydrophobicContact CD2-CB 4.38Å; L95-P128 HydrophobicContact CD2-CG 3.94Å; L95-P128 HydrophobicContact CG-CB 3.99Å; L95-P128 HydrophobicContact CG-CG 3.85Å; L95-L144 HydrophobicContact CD1-CD2 4.44Å |
| 96 | H | 96.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.9 | -47.3 | 174.8 | -74 | 89.2 | 0 | 0 | 0 | 110.9 | E92 T93 A99 K100 F120 N126 P128 L131 | E92-H96 HydrophobicContact CB-CB 3.78Å; E92-H96 HydrophobicContact CG-CB 4.16Å; T93-H96 PolarHBondContact N-ND1 3.5Å; T93-H96 WeakPolarHBondContact O-CA 3.43Å; T93-H96 VanDerWaalsContact O-CB 3.31Å; T93-H96 WeakPolarHBondContact O-CB 3.3Å; T93-H96 PolarHBondContact O-N 2.81Å; T93-H96 PolarHBondContact OG1-ND1 2.68Å; H96-A99 PolarHBondContact O-N 3.08Å; H96-K100 VanDerWaalsContact O-CB 3.3Å; H96-K100 WeakPolarHBondContact O-CB 3.33Å; H96-K100 PolarHBondContact O-N 3.4Å; H96-F120 PolarHBondContact CE1-O 2.83Å; H96-F120 PolarHBondContact NE2-O 3.02Å; H96-N126 PolarHBondContact NE2-O 3.38Å; H96-N126 VanDerWaalsContact NE2-O 3.07Å; H96-P128 WeakPolarHBondContact NE2-CD 3.42Å; H96-L131 HydrophobicContact CB-CD1 3.57Å |
| 97 | I | 95.4 | Very high | 94.8 | Very high | 9 Ų | 9 | 34.1 Ų | 34.1 | 5% | 0.046 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63 | -47 | 177.6 | -59.7 | -168.9 | 0 | 0 | 0 | 110.8 | H63 V66 I67 E92 T93 P94 A99 K100 L101 | H63-I97 HydrophobicContact CB-CD1 4.08Å; V66-I97 HydrophobicContact CG1-CB 4.22Å; V66-I97 HydrophobicContact CG1-CG2 3.99Å; I67-I97 HydrophobicContact CD1-CD1 4Å; I67-I97 HydrophobicContact CG1-CD1 4.07Å; I67-I97 HydrophobicContact CG1-CG2 3.71Å; E92-I97 HydrophobicContact CB-CG1 4.27Å; T93-I97 PolarHBondContact O-N 2.84Å; T93-I97 VanDerWaalsContact O-N 3.16Å; P94-I97 PolarHBondContact O-N 3.38Å; I97-A99 PolarHBondContact O-N 3.43Å; I97-K100 PolarHBondContact O-N 3.15Å; I97-L101 HydrophobicContact CG2-CD1 3.67Å; I97-L101 HydrophobicContact CG2-CG 4.16Å; I97-L101 WeakPolarHBondContact O-CB 3.44Å; I97-L101 WeakPolarHBondContact O-CG 3.5Å; I97-L101 PolarHBondContact O-N 2.88Å |
| 98 | A | 96 | Very high | 94.9 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58 | -41.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | V66 P94 L95 G102 L103 I106 V107 I110 | V66-A98 HydrophobicContact CG1-CB 3.66Å; P94-A98 WeakPolarHBondContact O-CB 3.34Å; P94-A98 PolarHBondContact O-N 2.83Å; L95-A98 PolarHBondContact O-N 2.89Å; A98-G102 PolarHBondContact O-N 3.37Å; A98-G102 VanDerWaalsContact O-N 3.16Å; A98-L103 PolarHBondContact O-N 3.35Å; A98-I106 HydrophobicContact CB-CG2 3.98Å; A98-V107 HydrophobicContact CB-CG2 3.64Å; A98-I110 HydrophobicContact CB-CD1 4.36Å |
| 99 | A | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.8 | -45.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L95 H96 I97 L101 G102 P128 A132 V140 L144 | L95-A99 VanDerWaalsContact O-CB 3.28Å; L95-A99 WeakPolarHBondContact O-CB 3.03Å; L95-A99 PolarHBondContact O-N 3.3Å; H96-A99 PolarHBondContact O-N 3.08Å; I97-A99 PolarHBondContact O-N 3.43Å; A99-L101 VanDerWaalsContact C-N 3.32Å; A99-L101 PolarHBondContact O-N 3.18Å; A99-G102 PolarHBondContact O-N 2.9Å; A99-P128 HydrophobicContact CB-CB 4.01Å; A99-P128 WeakPolarHBondContact CB-O 3.4Å; A99-A132 HydrophobicContact CB-CB 4.37Å; A99-V140 HydrophobicContact CB-CG1 3.88Å; A99-L144 HydrophobicContact CB-CD1 4.17Å |
| 100 | K | 95.8 | Very high | 95 | Very high | 80 Ų | 80 | 28.1 Ų | 28.1 | 35% | 0.348 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -58.7 | -41.8 | 176.5 | -171.5 | -179.9 | -174.1 | 172.4 | 0 | 112 | E92 H96 I97 L131 T135 | E92-K100 IonicContact OE1-NZ 3.4Å; E92-K100 PolarHBondContact OE1-NZ 2.83Å; E92-K100 IonicContact OE2-NZ 2.85Å; H96-K100 VanDerWaalsContact O-CB 3.3Å; H96-K100 WeakPolarHBondContact O-CB 3.33Å; H96-K100 PolarHBondContact O-N 3.4Å; I97-K100 PolarHBondContact O-N 3.15Å; K100-L131 HydrophobicContact CB-CB 4.23Å; K100-L131 HydrophobicContact CB-CD1 4.38Å; K100-T135 HydrophobicContact CG-CG2 3.81Å; K100-T135 WeakPolarHBondContact O-CB 3.42Å; K100-T135 PolarHBondContact O-OG1 3.05Å |
| 101 | L | 94.9 | Very high | 95.1 | Very high | 70 Ų | 70 | 24.4 Ų | 24.4 | 37% | 0.366 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -82.6 | -7.6 | -179 | -66.8 | -179.7 | 0 | 0 | 0 | 114.6 | I97 A99 L103 | I97-L101 HydrophobicContact CG2-CD1 3.67Å; I97-L101 HydrophobicContact CG2-CG 4.16Å; I97-L101 WeakPolarHBondContact O-CB 3.44Å; I97-L101 WeakPolarHBondContact O-CG 3.5Å; I97-L101 PolarHBondContact O-N 2.88Å; A99-L101 VanDerWaalsContact C-N 3.32Å; A99-L101 PolarHBondContact O-N 3.18Å; L101-L103 HydrophobicContact CB-CD1 4Å; L101-L103 HydrophobicContact CB-CD2 4.45Å; L101-L103 HydrophobicContact CB-CG 3.82Å; L101-L103 HydrophobicContact CD1-CD1 4.05Å |
| 102 | G | 94 | Very high | 95 | Very high | 22 Ų | 22 | 30.2 Ų | 30.2 | 23% | 0.227 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | 25.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | A98 A99 L104 Q137 | A98-G102 PolarHBondContact O-N 3.37Å; A98-G102 VanDerWaalsContact O-N 3.16Å; A99-G102 PolarHBondContact O-N 2.9Å; G102-L104 PolarHBondContact O-N 2.83Å; G102-Q137 VanDerWaalsContact CA-CD 3.46Å; G102-Q137 VanDerWaalsContact CA-OE1 3.29Å |
| 103 | L | 95.9 | Very high | 94.8 | Very high | 25 Ų | 25 | 33.1 Ų | 33.1 | 13% | 0.131 | 18% | 0.177 | C | C | . | . | trans | -85.1 | 70.8 | -172.3 | -56.4 | 175.6 | 0 | 0 | 0 | 112.1 | V66 K69 A98 L101 L105 I106 V107 | V66-L103 HydrophobicContact CG1-CD1 4.02Å; V66-L103 WeakPolarHBondContact O-CD1 3.36Å; K69-L103 HydrophobicContact CB-CD1 4.4Å; K69-L103 HydrophobicContact CB-CD2 4.04Å; K69-L103 HydrophobicContact CD-CD2 3.81Å; K69-L103 HydrophobicContact CG-CD1 4.01Å; K69-L103 HydrophobicContact CG-CD2 3.73Å; A98-L103 PolarHBondContact O-N 3.35Å; L101-L103 HydrophobicContact CB-CD1 4Å; L101-L103 HydrophobicContact CB-CD2 4.45Å; L101-L103 HydrophobicContact CB-CG 3.82Å; L101-L103 HydrophobicContact CD1-CD1 4.05Å; L103-L105 PolarHBondContact O-N 2.89Å; L103-I106 HydrophobicContact CB-CB 4.05Å; L103-I106 HydrophobicContact CB-CD1 4.2Å; L103-I106 HydrophobicContact CB-CG1 4.49Å; L103-I106 HydrophobicContact CD1-CD1 3.98Å; L103-I106 PolarHBondContact O-N 2.96Å; L103-V107 WeakPolarHBondContact O-CG2 3.34Å; L103-V107 PolarHBondContact O-N 3.46Å | ||
| 104 | L | 94.8 | Very high | 94.2 | Very high | 60 Ų | 60 | 33.8 Ų | 33.8 | 31% | 0.314 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -46.5 | -52.7 | -172.3 | -177.8 | 63.8 | 0 | 0 | 0 | 114.2 | G102 I106 V107 D108 N139 V140 | G102-L104 PolarHBondContact O-N 2.83Å; L104-I106 VanDerWaalsContact C-N 3.27Å; L104-I106 PolarHBondContact O-N 2.84Å; L104-V107 WeakPolarHBondContact O-CB 3.22Å; L104-V107 PolarHBondContact O-N 2.75Å; L104-V107 VanDerWaalsContact O-N 3.17Å; L104-D108 VanDerWaalsContact O-CG 3.32Å; L104-D108 PolarHBondContact O-N 3.1Å; L104-N139 HydrophobicContact CD1-CB 4.38Å; L104-N139 HydrophobicContact CD2-CB 4.23Å; L104-V140 HydrophobicContact CB-CG2 4.4Å; L104-V140 HydrophobicContact CD1-CG2 4.45Å |
| 105 | L | 95.1 | Very high | 93.7 | Very high | 119 Ų | 119 | 37.3 Ų | 37.3 | 62% | 0.623 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -64.1 | -32.4 | -177.2 | -61.3 | 176.8 | 0 | 0 | 0 | 113.2 | L71 L103 Y109 | L71-L105 HydrophobicContact CD2-CB 4.08Å; L103-L105 PolarHBondContact O-N 2.89Å; L105-Y109 WeakPolarHBondContact O-CB 3.32Å; L105-Y109 PolarHBondContact O-N 2.83Å |
| 106 | I | 95.4 | Very high | 93.2 | Very high | 6 Ų | 6 | 43 Ų | 43 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -76 | -40.1 | 177.1 | -69.1 | 171.8 | 0 | 0 | 0 | 109.7 | V66 L71 V74 A98 L103 L104 Y109 I110 | V66-I106 HydrophobicContact CG1-CG2 4.34Å; V66-I106 HydrophobicContact CG2-CG2 4Å; L71-I106 HydrophobicContact CB-CG1 4.07Å; L71-I106 HydrophobicContact CD1-CB 4.48Å; L71-I106 HydrophobicContact CD1-CG1 3.78Å; V74-I106 HydrophobicContact CG1-CG2 4.38Å; V74-I106 HydrophobicContact CG2-CD1 4.46Å; V74-I106 HydrophobicContact CG2-CG2 4.45Å; A98-I106 HydrophobicContact CB-CG2 3.98Å; L103-I106 HydrophobicContact CB-CB 4.05Å; L103-I106 HydrophobicContact CB-CD1 4.2Å; L103-I106 HydrophobicContact CB-CG1 4.49Å; L103-I106 HydrophobicContact CD1-CD1 3.98Å; L103-I106 PolarHBondContact O-N 2.96Å; L104-I106 VanDerWaalsContact C-N 3.27Å; L104-I106 PolarHBondContact O-N 2.84Å; I106-Y109 PolarHBondContact O-N 3.26Å; I106-I110 HydrophobicContact CG2-CD1 3.61Å; I106-I110 HydrophobicContact CG2-CG1 4.23Å; I106-I110 WeakPolarHBondContact O-CB 3.29Å; I106-I110 VanDerWaalsContact O-CG1 3.24Å; I106-I110 WeakPolarHBondContact O-CG1 3.31Å; I106-I110 PolarHBondContact O-N 3.12Å |
| 107 | V | 95.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.3 | -51.9 | 174.2 | 169.6 | 0 | 0 | 0 | 0 | 110.3 | L95 A98 L103 L104 Y109 I110 I111 V140 L144 | L95-V107 HydrophobicContact CD1-CG1 4.12Å; L95-V107 HydrophobicContact CD1-CG2 4.42Å; A98-V107 HydrophobicContact CB-CG2 3.64Å; L103-V107 WeakPolarHBondContact O-CG2 3.34Å; L103-V107 PolarHBondContact O-N 3.46Å; L104-V107 WeakPolarHBondContact O-CB 3.22Å; L104-V107 PolarHBondContact O-N 2.75Å; L104-V107 VanDerWaalsContact O-N 3.17Å; V107-Y109 VanDerWaalsContact C-N 3.31Å; V107-Y109 PolarHBondContact O-N 3.11Å; V107-I110 PolarHBondContact O-N 3.37Å; V107-I111 HydrophobicContact CG1-CD1 3.53Å; V107-I111 HydrophobicContact CG1-CG1 4.3Å; V107-I111 WeakPolarHBondContact O-CB 3.31Å; V107-I111 WeakPolarHBondContact O-CG1 2.97Å; V107-I111 PolarHBondContact O-N 2.86Å; V107-V140 HydrophobicContact CG1-CG1 4.28Å; V107-V140 HydrophobicContact CG2-CG1 4.06Å; V107-V140 HydrophobicContact CG2-CG2 4.24Å; V107-L144 HydrophobicContact CG1-CD2 4.15Å; V107-L144 HydrophobicContact CG1-CG 4.27Å |
| 108 | D | 95.1 | Very high | 92.6 | Very high | 51 Ų | 51 | 43.9 Ų | 43.9 | 27% | 0.273 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -57 | -46 | 179.4 | -67.3 | -14.8 | 0 | 0 | 0 | 111 | L104 I111 D112 S143 | L104-D108 VanDerWaalsContact O-CG 3.32Å; L104-D108 PolarHBondContact O-N 3.1Å; D108-I111 PolarHBondContact O-N 3.12Å; D108-D112 WeakPolarHBondContact O-CB 3.37Å; D108-D112 VanDerWaalsContact O-CG 3.3Å; D108-D112 PolarHBondContact O-N 2.8Å; D108-S143 VanDerWaalsContact OD1-CB 3.23Å; D108-S143 WeakPolarHBondContact OD1-CB 3.46Å; D108-S143 PolarHBondContact OD1-OG 3.29Å |
| 109 | Y | 94.5 | Very high | 92.3 | Very high | 35 Ų | 35 | 51 Ų | 51 | 14% | 0.137 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.8 | -46.5 | 177.2 | 177.7 | -102.9 | 0 | 0 | 0 | 113.1 | L71 V74 R75 A78 L105 I106 V107 I111 D112 V113 | L71-Y109 HydrophobicContact CD1-CG 4.37Å; V74-Y109 HydrophobicContact CG1-CD1 4.12Å; V74-Y109 HydrophobicContact CG1-CE1 4.27Å; R75-Y109 HydrophobicContact CB-CE1 4.31Å; R75-Y109 HydrophobicContact CG-CD1 4.07Å; R75-Y109 HydrophobicContact CG-CD2 3.96Å; R75-Y109 HydrophobicContact CG-CE1 3.77Å; R75-Y109 HydrophobicContact CG-CE2 3.64Å; R75-Y109 HydrophobicContact CG-CG 4.16Å; A78-Y109 HydrophobicContact CB-CE1 4.03Å; L105-Y109 WeakPolarHBondContact O-CB 3.32Å; L105-Y109 PolarHBondContact O-N 2.83Å; I106-Y109 PolarHBondContact O-N 3.26Å; V107-Y109 VanDerWaalsContact C-N 3.31Å; V107-Y109 PolarHBondContact O-N 3.11Å; Y109-I111 VanDerWaalsContact C-N 3.28Å; Y109-I111 PolarHBondContact O-N 3.33Å; Y109-D112 PolarHBondContact O-N 2.8Å; Y109-V113 HydrophobicContact CD1-CG2 4.42Å; Y109-V113 HydrophobicContact CD2-CG2 4.17Å; Y109-V113 HydrophobicContact CE1-CG2 3.92Å; Y109-V113 HydrophobicContact CE2-CG2 3.63Å; Y109-V113 VanDerWaalsContact CZ-CG2 3.48Å; Y109-V113 WeakPolarHBondContact O-CG2 3.39Å; Y109-V113 PolarHBondContact O-N 2.77Å |
| 110 | I | 93.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.3 | -37.1 | -179.9 | -67.6 | 171.3 | 0 | 0 | 0 | 110.6 | V66 V74 L84 P94 L95 A98 I106 V107 G114 L117 | V66-I110 HydrophobicContact CG2-CD1 4.11Å; V74-I110 HydrophobicContact CG1-CG1 4.37Å; L84-I110 HydrophobicContact CD2-CG1 4.28Å; P94-I110 HydrophobicContact CB-CD1 4.41Å; L95-I110 HydrophobicContact CB-CG2 3.99Å; L95-I110 HydrophobicContact CD1-CB 4.24Å; L95-I110 HydrophobicContact CD1-CG2 4.01Å; L95-I110 HydrophobicContact CG-CG2 4.39Å; A98-I110 HydrophobicContact CB-CD1 4.36Å; I106-I110 HydrophobicContact CG2-CD1 3.61Å; I106-I110 HydrophobicContact CG2-CG1 4.23Å; I106-I110 WeakPolarHBondContact O-CB 3.29Å; I106-I110 VanDerWaalsContact O-CG1 3.24Å; I106-I110 WeakPolarHBondContact O-CG1 3.31Å; I106-I110 PolarHBondContact O-N 3.12Å; V107-I110 PolarHBondContact O-N 3.37Å; I110-G114 PolarHBondContact O-N 3.32Å; I110-L117 HydrophobicContact CG2-CD1 3.56Å |
| 111 | I | 93.3 | Very high | 92.1 | Very high | 13 Ų | 13 | 54 Ų | 54 | 7% | 0.067 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64 | -46.5 | 174.7 | -70.5 | 169.8 | 0 | 0 | 0 | 110.8 | L95 V107 D108 Y109 V113 G114 P115 L118 L144 A147 | L95-I111 HydrophobicContact CD1-CG1 4.29Å; V107-I111 HydrophobicContact CG1-CD1 3.53Å; V107-I111 HydrophobicContact CG1-CG1 4.3Å; V107-I111 WeakPolarHBondContact O-CB 3.31Å; V107-I111 WeakPolarHBondContact O-CG1 2.97Å; V107-I111 PolarHBondContact O-N 2.86Å; D108-I111 PolarHBondContact O-N 3.12Å; Y109-I111 VanDerWaalsContact C-N 3.28Å; Y109-I111 PolarHBondContact O-N 3.33Å; I111-V113 VanDerWaalsContact C-N 3.32Å; I111-V113 PolarHBondContact O-N 3.23Å; I111-G114 CarbonylContact O-C 3.42Å; I111-G114 PolarHBondContact O-N 2.91Å; I111-P115 WeakPolarHBondContact O-CA 3.35Å; I111-P115 VanDerWaalsContact O-CD 3.25Å; I111-P115 WeakPolarHBondContact O-CD 3.43Å; I111-L118 HydrophobicContact CD1-CD2 4.32Å; I111-L118 HydrophobicContact CG1-CD2 4.14Å; I111-L144 HydrophobicContact CD1-CD2 3.78Å; I111-L144 HydrophobicContact CD1-CG 4.47Å; I111-L144 HydrophobicContact CG1-CD2 4.45Å; I111-A147 HydrophobicContact CD1-CB 3.98Å; I111-A147 HydrophobicContact CG2-CB 3.44Å; I111-A147 VanDerWaalsContact CG2-CB 3.44Å |
| 112 | D | 91.4 | Very high | 92.1 | Very high | 133 Ų | 133 | 51.2 Ų | 51.2 | 71% | 0.711 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -61.4 | -41.3 | -179.8 | -77.1 | -16.4 | 0 | 0 | 0 | 111.8 | D108 Y109 | D108-D112 WeakPolarHBondContact O-CB 3.37Å; D108-D112 VanDerWaalsContact O-CG 3.3Å; D108-D112 PolarHBondContact O-N 2.8Å; Y109-D112 PolarHBondContact O-N 2.8Å |
| 113 | V | 90.4 | Very high | 92.2 | Very high | 72 Ų | 72 | 55.9 Ų | 55.9 | 44% | 0.436 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -75.2 | -33.7 | 178.5 | 178.6 | 0 | 0 | 0 | 0 | 111.8 | L84 Y109 I111 | L84-V113 HydrophobicContact CD1-CB 4.13Å; L84-V113 HydrophobicContact CD1-CG1 3.56Å; Y109-V113 HydrophobicContact CD1-CG2 4.42Å; Y109-V113 HydrophobicContact CD2-CG2 4.17Å; Y109-V113 HydrophobicContact CE1-CG2 3.92Å; Y109-V113 HydrophobicContact CE2-CG2 3.63Å; Y109-V113 VanDerWaalsContact CZ-CG2 3.48Å; Y109-V113 WeakPolarHBondContact O-CG2 3.39Å; Y109-V113 PolarHBondContact O-N 2.77Å; I111-V113 VanDerWaalsContact C-N 3.32Å; I111-V113 PolarHBondContact O-N 3.23Å |
| 114 | G | 83.8 | Confident | 92.1 | Very high | 15 Ų | 15 | 59.4 Ų | 59.4 | 16% | 0.155 | 31% | 0.31 | C | S | . | . | trans | -147.1 | 71.6 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114 | I110 I111 N116 L117 | I110-G114 PolarHBondContact O-N 3.32Å; I111-G114 CarbonylContact O-C 3.42Å; I111-G114 PolarHBondContact O-N 2.91Å; G114-N116 PolarHBondContact O-N 3.09Å; G114-N116 VanDerWaalsContact O-N 3.08Å; G114-L117 VanDerWaalsContact O-CB 3.25Å; G114-L117 WeakPolarHBondContact O-CB 3.5Å; G114-L117 VanDerWaalsContact O-CG 3.22Å; G114-L117 WeakPolarHBondContact O-CG 3.38Å; G114-L117 PolarHBondContact O-N 2.77Å | ||
| 115 | P | 83 | Confident | 92.1 | Very high | 74 Ų | 74 | 57 Ų | 57 | 48% | 0.481 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -62.6 | -24.3 | -178.3 | 24.2 | -33.9 | 0 | 0 | 0 | 112.7 | I111 L117 L118 | I111-P115 WeakPolarHBondContact O-CA 3.35Å; I111-P115 VanDerWaalsContact O-CD 3.25Å; I111-P115 WeakPolarHBondContact O-CD 3.43Å; P115-L117 PolarHBondContact O-N 3.02Å; P115-L117 VanDerWaalsContact O-N 3.12Å; P115-L118 WeakPolarHBondContact O-CD1 3.28Å; P115-L118 WeakPolarHBondContact O-CG 3.09Å; P115-L118 PolarHBondContact O-N 3.24Å |
| 116 | N | 86.7 | Confident | 92.2 | Very high | 118 Ų | 118 | 51.9 Ų | 51.9 | 63% | 0.631 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -63.3 | -13.8 | 174.3 | -72.1 | -36.3 | 0 | 0 | 0 | 114.1 | G114 L118 K119 | G114-N116 PolarHBondContact O-N 3.09Å; G114-N116 VanDerWaalsContact O-N 3.08Å; N116-L118 VanDerWaalsContact C-N 3.27Å; N116-L118 PolarHBondContact O-N 2.86Å; N116-K119 WeakPolarHBondContact O-CE 3.44Å; N116-K119 WeakPolarHBondContact O-CG 3.36Å |
| 117 | L | 89.4 | Confident | 92.2 | Very high | 11 Ų | 11 | 51.8 Ų | 51.8 | 6% | 0.058 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -73 | -18.8 | 179.5 | -63.9 | 171.1 | 0 | 0 | 0 | 112.8 | L84 L95 I110 G114 P115 K119 F120 | L84-L117 HydrophobicContact CB-CD1 3.85Å; L95-L117 HydrophobicContact CD2-CB 3.82Å; I110-L117 HydrophobicContact CG2-CD1 3.56Å; G114-L117 VanDerWaalsContact O-CB 3.25Å; G114-L117 WeakPolarHBondContact O-CB 3.5Å; G114-L117 VanDerWaalsContact O-CG 3.22Å; G114-L117 WeakPolarHBondContact O-CG 3.38Å; G114-L117 PolarHBondContact O-N 2.77Å; P115-L117 PolarHBondContact O-N 3.02Å; P115-L117 VanDerWaalsContact O-N 3.12Å; L117-K119 PolarHBondContact O-N 2.93Å; L117-K119 VanDerWaalsContact O-N 3.16Å; L117-F120 HydrophobicContact CD2-CD2 4.31Å; L117-F120 HydrophobicContact CD2-CE2 4.05Å; L117-F120 PolarHBondContact O-N 3.49Å |
| 118 | L | 90 | Very high | 92.2 | Very high | 18 Ų | 18 | 51.9 Ų | 51.9 | 9% | 0.094 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -61.6 | -23.8 | -178.3 | -66.5 | 170.6 | 0 | 0 | 0 | 114 | L95 I111 P115 N116 L144 A147 A149 | L95-L118 HydrophobicContact CD2-CD2 4.12Å; I111-L118 HydrophobicContact CD1-CD2 4.32Å; I111-L118 HydrophobicContact CG1-CD2 4.14Å; P115-L118 WeakPolarHBondContact O-CD1 3.28Å; P115-L118 WeakPolarHBondContact O-CG 3.09Å; P115-L118 PolarHBondContact O-N 3.24Å; N116-L118 VanDerWaalsContact C-N 3.27Å; N116-L118 PolarHBondContact O-N 2.86Å; L118-L144 HydrophobicContact CD2-CD2 3.42Å; L118-L144 VanDerWaalsContact CD2-CD2 3.42Å; L118-A147 HydrophobicContact CD1-CB 3.83Å; L118-A147 VanDerWaalsContact CD1-O 3.24Å; L118-A147 WeakPolarHBondContact CD1-O 3.32Å; L118-A149 HydrophobicContact CD2-CB 4.41Å |
| 119 | K | 89.1 | Confident | 92.3 | Very high | 149 Ų | 149 | 49.5 Ų | 49.5 | 65% | 0.648 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -88.9 | -10.4 | -175.8 | 75.4 | -165.6 | 174.7 | 179.8 | 0 | 114.6 | N116 L117 | N116-K119 WeakPolarHBondContact O-CE 3.44Å; N116-K119 WeakPolarHBondContact O-CG 3.36Å; L117-K119 PolarHBondContact O-N 2.93Å; L117-K119 VanDerWaalsContact O-N 3.16Å |
| 120 | F | 92.3 | Very high | 92.4 | Very high | 71 Ų | 71 | 47.8 Ų | 47.8 | 31% | 0.311 | 26% | 0.255 | S | S | . | . | trans | -68.8 | 151.8 | -179.2 | -76.9 | -99.5 | 0 | 0 | 0 | 110.3 | T93 H96 L117 | T93-F120 HydrophobicContact CG2-CB 4.09Å; T93-F120 HydrophobicContact CG2-CD1 4.28Å; T93-F120 HydrophobicContact CG2-CG 4.23Å; H96-F120 PolarHBondContact CE1-O 2.83Å; H96-F120 PolarHBondContact NE2-O 3.02Å; L117-F120 HydrophobicContact CD2-CD2 4.31Å; L117-F120 HydrophobicContact CD2-CE2 4.05Å; L117-F120 PolarHBondContact O-N 3.49Å | ||
| 121 | V | 95.1 | Very high | 92.6 | Very high | 72 Ų | 72 | 48.3 Ų | 48.3 | 44% | 0.436 | 26% | 0.257 | S | S | . | . | trans | -128.9 | 143.9 | 177.6 | -67.1 | 0 | 0 | 0 | 0 | 110.4 | N126 T127 | V121-N126 CarbonylContact C-O 3.6Å; V121-N126 VanDerWaalsContact CA-O 3.25Å; V121-N126 WeakPolarHBondContact CA-O 3.33Å; V121-T127 HydrophobicContact CG1-CG2 3.78Å | ||
| 122 | D | 95.5 | Very high | 92.7 | Very high | 11 Ų | 11 | 47.7 Ų | 47.7 | 6% | 0.059 | 25% | 0.254 | C | S | . | . | trans | -73.2 | -177.7 | 174.4 | 76.3 | 0.2 | 0 | 0 | 0 | 112.4 | G91 E92 N124 G125 N126 | G91-D122 WeakPolarHBondContact O-CA 3.39Å; E92-D122 HydrophobicContact CG-CB 4.06Å; D122-N124 PolarHBondContact O-N 3.15Å; D122-N124 VanDerWaalsContact O-N 3.14Å; D122-N124 WeakPolarHBondContact OD1-CA 3.44Å; D122-N124 WeakPolarHBondContact OD1-CB 3.39Å; D122-N124 PolarHBondContact OD1-N 3.4Å; D122-G125 PolarHBondContact O-N 2.85Å; D122-G125 PolarHBondContact OD1-N 2.95Å; D122-N126 PolarHBondContact N-O 3.39Å; D122-N126 WeakPolarHBondContact OD1-CB 3.34Å; D122-N126 PolarHBondContact OD1-N 3.27Å; D122-N126 WeakPolarHBondContact OD2-CB 3.49Å; D122-N126 PolarHBondContact OD2-ND2 3.04Å | ||
| 123 | K | 95.6 | Very high | 92.9 | Very high | 120 Ų | 120 | 41.3 Ų | 41.3 | 52% | 0.522 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -18.6 | 175.4 | -79 | -176.8 | 178 | -175.7 | 0 | 113.9 | K89 D90 K156 | K89-K123 VanDerWaalsContact O-CD 3.26Å; K89-K123 WeakPolarHBondContact O-CD 3.36Å; K89-K123 WeakPolarHBondContact O-CE 3.32Å; K89-K123 PolarHBondContact O-NZ 2.93Å; D90-K123 WeakPolarHBondContact O-CB 3.43Å; D90-K123 VanDerWaalsContact O-CG 3.29Å; D90-K123 WeakPolarHBondContact O-CG 3.46Å; D90-K123 PolarHBondContact O-N 3.13Å; K123-K156 WeakPolarHBondContact O-CD 3.5Å; K123-K156 WeakPolarHBondContact O-CE 3.48Å; K123-K156 PolarHBondContact O-NZ 3.38Å |
| 124 | N | 94.2 | Very high | 93.2 | Very high | 99 Ų | 99 | 41.1 Ų | 41.1 | 53% | 0.529 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | 3.1 | 175.6 | -63.9 | -34.4 | 0 | 0 | 0 | 112.1 | D122 N126 K156 | D122-N124 PolarHBondContact O-N 3.15Å; D122-N124 VanDerWaalsContact O-N 3.14Å; D122-N124 WeakPolarHBondContact OD1-CA 3.44Å; D122-N124 WeakPolarHBondContact OD1-CB 3.39Å; D122-N124 PolarHBondContact OD1-N 3.4Å; N124-N126 VanDerWaalsContact C-N 3.28Å; N124-N126 WeakPolarHBondContact CB-ND2 3.32Å; N124-K156 VanDerWaalsContact O-CB 3.27Å; N124-K156 WeakPolarHBondContact O-CB 3.4Å; N124-K156 WeakPolarHBondContact O-CG 3.48Å; N124-K156 PolarHBondContact O-N 3.29Å |
| 125 | G | 94.9 | Very high | 93.7 | Very high | 11 Ų | 11 | 42.6 Ų | 42.6 | 11% | 0.113 | 22% | 0.222 | C | C | . | . | S | Bend | trans | 77 | 10.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D122 N155 | D122-G125 PolarHBondContact O-N 2.85Å; D122-G125 PolarHBondContact OD1-N 2.95Å; G125-N155 WeakPolarHBondContact O-CA 3.19Å |
| 126 | N | 96.5 | Very high | 94.2 | Very high | 10 Ų | 10 | 42.9 Ų | 42.9 | 5% | 0.053 | 22% | 0.22 | C | C | . | . | trans | -79 | 133.8 | 178.3 | -60.4 | -50.1 | 0 | 0 | 0 | 110.2 | H96 V121 D122 N124 H130 L131 N155 | H96-N126 PolarHBondContact NE2-O 3.38Å; H96-N126 VanDerWaalsContact NE2-O 3.07Å; V121-N126 CarbonylContact C-O 3.6Å; V121-N126 VanDerWaalsContact CA-O 3.25Å; V121-N126 WeakPolarHBondContact CA-O 3.33Å; D122-N126 PolarHBondContact N-O 3.39Å; D122-N126 WeakPolarHBondContact OD1-CB 3.34Å; D122-N126 PolarHBondContact OD1-N 3.27Å; D122-N126 WeakPolarHBondContact OD2-CB 3.49Å; D122-N126 PolarHBondContact OD2-ND2 3.04Å; N124-N126 VanDerWaalsContact C-N 3.28Å; N124-N126 WeakPolarHBondContact CB-ND2 3.32Å; N126-H130 HydrophobicContact CB-CB 3.68Å; N126-L131 HydrophobicContact CB-CD2 4.06Å; N126-L131 HydrophobicContact CB-CG 4.29Å; N126-N155 WeakPolarHBondContact OD1-CB 3.4Å; N126-N155 PolarHBondContact OD1-ND2 2.9Å | ||
| 127 | T | 96.2 | Very high | 94.6 | Very high | 5 Ų | 5 | 40.3 Ų | 40.3 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | trans | -80.3 | 169.3 | 165.3 | 62.6 | 0 | 0 | 0 | 0 | 110.7 | V121 L129 H130 L131 V153 | V121-T127 HydrophobicContact CG1-CG2 3.78Å; T127-L129 PolarHBondContact O-N 2.66Å; T127-L129 VanDerWaalsContact O-N 3.13Å; T127-H130 PolarHBondContact N-ND1 3.4Å; T127-H130 VanDerWaalsContact N-ND1 3.2Å; T127-H130 WeakPolarHBondContact O-CB 3.46Å; T127-H130 PolarHBondContact O-N 3.39Å; T127-H130 PolarHBondContact OG1-N 2.87Å; T127-H130 PolarHBondContact OG1-ND1 3.47Å; T127-L131 PolarHBondContact O-N 2.89Å; T127-V153 HydrophobicContact CG2-CB 3.97Å; T127-V153 HydrophobicContact CG2-CG1 3.73Å; T127-V153 HydrophobicContact CG2-CG2 4.08Å | ||
| 128 | P | 96.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56 | -32.5 | 173.4 | -25.9 | 35.7 | 0 | 0 | 0 | 112.8 | L95 H96 A99 L131 A132 L144 | L95-P128 HydrophobicContact CB-CG 4.4Å; L95-P128 HydrophobicContact CD2-CB 4.38Å; L95-P128 HydrophobicContact CD2-CG 3.94Å; L95-P128 HydrophobicContact CG-CB 3.99Å; L95-P128 HydrophobicContact CG-CG 3.85Å; H96-P128 WeakPolarHBondContact NE2-CD 3.42Å; A99-P128 HydrophobicContact CB-CB 4.01Å; A99-P128 WeakPolarHBondContact CB-O 3.4Å; P128-L131 PolarHBondContact O-N 2.87Å; P128-A132 PolarHBondContact O-N 3.09Å; P128-L144 HydrophobicContact CB-CD1 4.19Å; P128-L144 HydrophobicContact CB-CD2 4.23Å |
| 129 | L | 97.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.7 | -37.4 | 176.4 | -176.1 | 61.1 | 0 | 0 | 0 | 112.5 | T127 A132 C133 A141 L144 A149 L151 P161 L177 | T127-L129 PolarHBondContact O-N 2.66Å; T127-L129 VanDerWaalsContact O-N 3.13Å; L129-A132 PolarHBondContact O-N 2.9Å; L129-C133 PolarHBondContact O-N 3.4Å; L129-C133 VanDerWaalsContact O-N 3.08Å; L129-C133 PolarHBondContact O-SG 3.45Å; L129-A141 HydrophobicContact CD1-CB 3.94Å; L129-L144 HydrophobicContact CB-CD1 4.3Å; L129-L144 HydrophobicContact CD1-CB 4.1Å; L129-L144 HydrophobicContact CD1-CD1 4.33Å; L129-A149 HydrophobicContact CB-CB 4.45Å; L129-A149 HydrophobicContact CD2-CB 4.08Å; L129-L151 HydrophobicContact CD2-CD2 3.69Å; L129-P161 HydrophobicContact CB-CG 4.47Å; L129-P161 HydrophobicContact CD2-CB 4.14Å; L129-P161 HydrophobicContact CD2-CG 4.02Å; L129-P161 HydrophobicContact CG-CB 3.92Å; L129-P161 HydrophobicContact CG-CG 4.08Å; L129-L177 HydrophobicContact CD1-CD2 4.21Å; L129-L177 HydrophobicContact CD2-CD2 3.93Å; L129-L177 HydrophobicContact CG-CD2 4.31Å |
| 130 | H | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.4 | -47 | 172.3 | -76.3 | 89.1 | 0 | 0 | 0 | 110.9 | N126 T127 A132 C133 L134 V153 K159 P161 | N126-H130 HydrophobicContact CB-CB 3.68Å; T127-H130 PolarHBondContact N-ND1 3.4Å; T127-H130 VanDerWaalsContact N-ND1 3.2Å; T127-H130 WeakPolarHBondContact O-CB 3.46Å; T127-H130 PolarHBondContact O-N 3.39Å; T127-H130 PolarHBondContact OG1-N 2.87Å; T127-H130 PolarHBondContact OG1-ND1 3.47Å; H130-A132 PolarHBondContact O-N 2.98Å; H130-C133 PolarHBondContact O-N 3.17Å; H130-C133 VanDerWaalsContact O-N 3.16Å; H130-L134 WeakPolarHBondContact O-CB 3.22Å; H130-L134 WeakPolarHBondContact O-CG 3.5Å; H130-L134 PolarHBondContact O-N 3.12Å; H130-V153 PolarHBondContact CE1-O 2.83Å; H130-V153 PolarHBondContact NE2-O 3.45Å; H130-K159 PolarHBondContact NE2-O 3.3Å; H130-K159 VanDerWaalsContact NE2-O 3.08Å; H130-P161 VanDerWaalsContact CE1-CD 3.47Å; H130-P161 WeakPolarHBondContact CE1-CD 3.17Å; H130-P161 VanDerWaalsContact NE2-CD 3.35Å; H130-P161 WeakPolarHBondContact NE2-CD 3.38Å |
| 131 | L | 96.3 | Very high | 95.6 | Very high | 10 Ų | 10 | 35.1 Ų | 35.1 | 5% | 0.052 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.7 | -43 | -179.3 | -63.6 | -177.9 | 0 | 0 | 0 | 111.6 | H96 K100 N126 T127 P128 C133 L134 T135 | H96-L131 HydrophobicContact CB-CD1 3.57Å; K100-L131 HydrophobicContact CB-CB 4.23Å; K100-L131 HydrophobicContact CB-CD1 4.38Å; N126-L131 HydrophobicContact CB-CD2 4.06Å; N126-L131 HydrophobicContact CB-CG 4.29Å; T127-L131 PolarHBondContact O-N 2.89Å; P128-L131 PolarHBondContact O-N 2.87Å; L131-C133 VanDerWaalsContact C-N 3.25Å; L131-C133 PolarHBondContact O-N 3.33Å; L131-L134 HydrophobicContact CD2-CD1 4.44Å; L131-L134 PolarHBondContact O-N 3.46Å; L131-T135 PolarHBondContact O-N 3.05Å; L131-T135 PolarHBondContact O-OG1 3.1Å |
| 132 | A | 96.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.8 | -38.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | A99 P128 L129 H130 N136 Q137 V140 A141 L144 | A99-A132 HydrophobicContact CB-CB 4.37Å; P128-A132 PolarHBondContact O-N 3.09Å; L129-A132 PolarHBondContact O-N 2.9Å; H130-A132 PolarHBondContact O-N 2.98Å; A132-N136 PolarHBondContact O-N 3.29Å; A132-N136 VanDerWaalsContact O-N 3.12Å; A132-Q137 HydrophobicContact CB-CB 4.33Å; A132-Q137 PolarHBondContact O-N 3.38Å; A132-V140 HydrophobicContact CB-CB 4.43Å; A132-V140 HydrophobicContact CB-CG1 3.78Å; A132-A141 HydrophobicContact CB-CB 4.26Å; A132-L144 HydrophobicContact CB-CD1 4.13Å |
| 133 | C | 96.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -73.1 | -41.6 | 177 | -65.5 | 0 | 0 | 0 | 0 | 112.5 | L129 H130 L131 T135 N136 C164 A165 T168 | L129-C133 PolarHBondContact O-N 3.4Å; L129-C133 VanDerWaalsContact O-N 3.08Å; L129-C133 PolarHBondContact O-SG 3.45Å; H130-C133 PolarHBondContact O-N 3.17Å; H130-C133 VanDerWaalsContact O-N 3.16Å; L131-C133 VanDerWaalsContact C-N 3.25Å; L131-C133 PolarHBondContact O-N 3.33Å; C133-T135 PolarHBondContact O-N 3.06Å; C133-N136 PolarHBondContact O-N 2.89Å; C133-C164 HydrophobicContact CB-CB 4.46Å; C133-A165 HydrophobicContact CB-CB 3.99Å; C133-T168 PolarHBondContact O-OG1 3.04Å; C133-T168 VanDerWaalsContact O-OG1 3.11Å |
| 134 | L | 95.5 | Very high | 95.7 | Very high | 67 Ų | 67 | 30.1 Ų | 30.1 | 35% | 0.351 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -64.7 | -29.1 | 176.9 | -73.4 | 169.2 | 0 | 0 | 0 | 112.3 | H130 L131 C164 T168 | H130-L134 WeakPolarHBondContact O-CB 3.22Å; H130-L134 WeakPolarHBondContact O-CG 3.5Å; H130-L134 PolarHBondContact O-N 3.12Å; L131-L134 HydrophobicContact CD2-CD1 4.44Å; L131-L134 PolarHBondContact O-N 3.46Å; L134-C164 HydrophobicContact CD2-CB 3.77Å; L134-C164 HydrophobicContact CG-CB 3.95Å; L134-T168 HydrophobicContact CD2-CG2 4.02Å |
| 135 | T | 94.2 | Very high | 95.8 | Very high | 47 Ų | 47 | 26.1 Ų | 26.1 | 29% | 0.288 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 12.2 | 177.7 | 64.5 | 0 | 0 | 0 | 0 | 114.3 | K100 L131 C133 Q137 | K100-T135 HydrophobicContact CG-CG2 3.81Å; K100-T135 WeakPolarHBondContact O-CB 3.42Å; K100-T135 PolarHBondContact O-OG1 3.05Å; L131-T135 PolarHBondContact O-N 3.05Å; L131-T135 PolarHBondContact O-OG1 3.1Å; C133-T135 PolarHBondContact O-N 3.06Å; T135-Q137 VanDerWaalsContact C-N 3.33Å; T135-Q137 PolarHBondContact O-N 2.77Å; T135-Q137 PolarHBondContact O-NE2 3.45Å; T135-Q137 VanDerWaalsContact OG1-CG 3.26Å; T135-Q137 WeakPolarHBondContact OG1-CG 3.37Å |
| 136 | N | 93.4 | Very high | 95.7 | Very high | 79 Ų | 79 | 31.8 Ų | 31.8 | 42% | 0.422 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 36.2 | 175.5 | -163.2 | 9.7 | 0 | 0 | 0 | 114.8 | A132 C133 S138 S170 | A132-N136 PolarHBondContact O-N 3.29Å; A132-N136 VanDerWaalsContact O-N 3.12Å; C133-N136 PolarHBondContact O-N 2.89Å; N136-S138 PolarHBondContact O-N 2.92Å; N136-S170 WeakPolarHBondContact OD1-CB 3.44Å; N136-S170 PolarHBondContact OD1-OG 3.39Å |
| 137 | Q | 95.8 | Very high | 95.5 | Very high | 65 Ų | 65 | 33 Ų | 33 | 30% | 0.304 | 19% | 0.186 | S | C | . | . | trans | -93.7 | 70.3 | -178.8 | -56.5 | -60.2 | -24.7 | 0 | 0 | 111.4 | G102 A132 T135 N139 V140 A141 | G102-Q137 VanDerWaalsContact CA-CD 3.46Å; G102-Q137 VanDerWaalsContact CA-OE1 3.29Å; A132-Q137 HydrophobicContact CB-CB 4.33Å; A132-Q137 PolarHBondContact O-N 3.38Å; T135-Q137 VanDerWaalsContact C-N 3.33Å; T135-Q137 PolarHBondContact O-N 2.77Å; T135-Q137 PolarHBondContact O-NE2 3.45Å; T135-Q137 VanDerWaalsContact OG1-CG 3.26Å; T135-Q137 WeakPolarHBondContact OG1-CG 3.37Å; Q137-N139 PolarHBondContact O-N 3.26Å; Q137-V140 HydrophobicContact CB-CB 4Å; Q137-V140 HydrophobicContact CB-CG2 4.33Å; Q137-V140 WeakPolarHBondContact O-CB 3.46Å; Q137-V140 PolarHBondContact O-N 3.39Å; Q137-V140 VanDerWaalsContact O-N 3.16Å; Q137-A141 PolarHBondContact O-N 2.75Å | ||
| 138 | S | 93.7 | Very high | 95.3 | Very high | 29 Ų | 29 | 35.4 Ų | 35.4 | 20% | 0.203 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60 | -37.2 | -172.8 | 55.7 | 0 | 0 | 0 | 0 | 115.2 | N136 A141 L142 S172 C173 | N136-S138 PolarHBondContact O-N 2.92Å; S138-A141 PolarHBondContact O-N 3.01Å; S138-L142 WeakPolarHBondContact O-CB 3.4Å; S138-L142 PolarHBondContact O-N 2.99Å; S138-S172 VanDerWaalsContact CB-CB 3.46Å; S138-C173 VanDerWaalsContact CA-SG 3.56Å |
| 139 | N | 95.8 | Very high | 95.2 | Very high | 109 Ų | 109 | 35.9 Ų | 35.9 | 58% | 0.583 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -65.2 | -41.2 | 176.7 | -66 | -21.5 | 0 | 0 | 0 | 111.8 | L104 Q137 L142 S143 | L104-N139 HydrophobicContact CD1-CB 4.38Å; L104-N139 HydrophobicContact CD2-CB 4.23Å; Q137-N139 PolarHBondContact O-N 3.26Å; N139-L142 PolarHBondContact O-N 3.12Å; N139-S143 PolarHBondContact O-N 2.67Å; N139-S143 VanDerWaalsContact O-N 3.08Å |
| 140 | V | 96.7 | Very high | 95 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.012 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.2 | -44.6 | 174.6 | 164.5 | 0 | 0 | 0 | 0 | 110.4 | A99 L104 V107 A132 Q137 L142 S143 L144 | A99-V140 HydrophobicContact CB-CG1 3.88Å; L104-V140 HydrophobicContact CB-CG2 4.4Å; L104-V140 HydrophobicContact CD1-CG2 4.45Å; V107-V140 HydrophobicContact CG1-CG1 4.28Å; V107-V140 HydrophobicContact CG2-CG1 4.06Å; V107-V140 HydrophobicContact CG2-CG2 4.24Å; A132-V140 HydrophobicContact CB-CB 4.43Å; A132-V140 HydrophobicContact CB-CG1 3.78Å; Q137-V140 HydrophobicContact CB-CB 4Å; Q137-V140 HydrophobicContact CB-CG2 4.33Å; Q137-V140 WeakPolarHBondContact O-CB 3.46Å; Q137-V140 PolarHBondContact O-N 3.39Å; Q137-V140 VanDerWaalsContact O-N 3.16Å; V140-L142 PolarHBondContact O-N 2.89Å; V140-S143 PolarHBondContact O-N 2.96Å; V140-L144 HydrophobicContact CG1-CD1 3.77Å; V140-L144 HydrophobicContact CG1-CG 4.3Å; V140-L144 WeakPolarHBondContact O-CG 3.3Å; V140-L144 PolarHBondContact O-N 2.89Å |
| 141 | A | 96.3 | Very high | 95 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.9 | -40.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L129 A132 Q137 S138 L144 C145 V176 | L129-A141 HydrophobicContact CD1-CB 3.94Å; A132-A141 HydrophobicContact CB-CB 4.26Å; Q137-A141 PolarHBondContact O-N 2.75Å; S138-A141 PolarHBondContact O-N 3.01Å; A141-L144 PolarHBondContact O-N 3.05Å; A141-C145 WeakPolarHBondContact O-CB 3.41Å; A141-C145 PolarHBondContact O-N 3.12Å; A141-C145 PolarHBondContact O-SG 2.87Å; A141-V176 HydrophobicContact CB-CG1 4.33Å |
| 142 | L | 96.2 | Very high | 94.9 | Very high | 77 Ų | 77 | 43.5 Ų | 43.5 | 40% | 0.403 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.1 | -46.1 | 176.5 | 179.6 | 63.7 | 0 | 0 | 0 | 111.6 | S138 N139 V140 C145 N146 V176 | S138-L142 WeakPolarHBondContact O-CB 3.4Å; S138-L142 PolarHBondContact O-N 2.99Å; N139-L142 PolarHBondContact O-N 3.12Å; V140-L142 PolarHBondContact O-N 2.89Å; L142-C145 PolarHBondContact O-N 2.86Å; L142-N146 WeakPolarHBondContact O-CB 3.34Å; L142-N146 VanDerWaalsContact O-CG 3.27Å; L142-N146 PolarHBondContact O-N 3.41Å; L142-N146 PolarHBondContact O-ND2 3.37Å; L142-V176 HydrophobicContact CB-CG1 3.9Å; L142-V176 HydrophobicContact CB-CG2 4.15Å; L142-V176 HydrophobicContact CD1-CG1 4.07Å; L142-V176 HydrophobicContact CD1-CG2 4.49Å |
| 143 | S | 95.6 | Very high | 94.8 | Very high | 19 Ų | 19 | 45.5 Ų | 45.5 | 13% | 0.133 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60 | -48.7 | 175.7 | 176.1 | 0 | 0 | 0 | 0 | 111.8 | D108 N139 V140 C145 N146 A147 | D108-S143 VanDerWaalsContact OD1-CB 3.23Å; D108-S143 WeakPolarHBondContact OD1-CB 3.46Å; D108-S143 PolarHBondContact OD1-OG 3.29Å; N139-S143 PolarHBondContact O-N 2.67Å; N139-S143 VanDerWaalsContact O-N 3.08Å; V140-S143 PolarHBondContact O-N 2.96Å; S143-C145 VanDerWaalsContact C-N 3.31Å; S143-C145 PolarHBondContact O-N 3.06Å; S143-N146 PolarHBondContact O-N 3.1Å; S143-N146 VanDerWaalsContact O-N 3.17Å; S143-A147 WeakPolarHBondContact O-CB 3.09Å; S143-A147 PolarHBondContact O-N 3.03Å |
| 144 | L | 96.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.8 | -40.7 | 177.4 | -70.5 | 168.9 | 0 | 0 | 0 | 112.2 | L95 A99 V107 I111 L118 P128 L129 A132 V140 A141 A147 G148 A149 | L95-L144 HydrophobicContact CD1-CD2 4.44Å; A99-L144 HydrophobicContact CB-CD1 4.17Å; V107-L144 HydrophobicContact CG1-CD2 4.15Å; V107-L144 HydrophobicContact CG1-CG 4.27Å; I111-L144 HydrophobicContact CD1-CD2 3.78Å; I111-L144 HydrophobicContact CD1-CG 4.47Å; I111-L144 HydrophobicContact CG1-CD2 4.45Å; L118-L144 HydrophobicContact CD2-CD2 3.42Å; L118-L144 VanDerWaalsContact CD2-CD2 3.42Å; P128-L144 HydrophobicContact CB-CD1 4.19Å; P128-L144 HydrophobicContact CB-CD2 4.23Å; L129-L144 HydrophobicContact CB-CD1 4.3Å; L129-L144 HydrophobicContact CD1-CB 4.1Å; L129-L144 HydrophobicContact CD1-CD1 4.33Å; A132-L144 HydrophobicContact CB-CD1 4.13Å; V140-L144 HydrophobicContact CG1-CD1 3.77Å; V140-L144 HydrophobicContact CG1-CG 4.3Å; V140-L144 WeakPolarHBondContact O-CG 3.3Å; V140-L144 PolarHBondContact O-N 2.89Å; A141-L144 PolarHBondContact O-N 3.05Å; L144-A147 PolarHBondContact O-N 2.69Å; L144-G148 PolarHBondContact O-N 3.13Å; L144-A149 HydrophobicContact CB-CB 4.25Å; L144-A149 WeakPolarHBondContact O-CB 3.25Å; L144-A149 PolarHBondContact O-N 3.06Å |
| 145 | C | 94.9 | Very high | 94.6 | Very high | 16 Ų | 16 | 48.2 Ų | 48.2 | 11% | 0.108 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65 | -46 | 175.9 | -67.9 | 0 | 0 | 0 | 0 | 111.8 | A141 L142 S143 A147 G148 A180 | A141-C145 WeakPolarHBondContact O-CB 3.41Å; A141-C145 PolarHBondContact O-N 3.12Å; A141-C145 PolarHBondContact O-SG 2.87Å; L142-C145 PolarHBondContact O-N 2.86Å; S143-C145 VanDerWaalsContact C-N 3.31Å; S143-C145 PolarHBondContact O-N 3.06Å; C145-A147 PolarHBondContact O-N 3.36Å; C145-G148 PolarHBondContact O-N 3.11Å; C145-A180 HydrophobicContact CB-CB 3.82Å |
| 146 | N | 94 | Very high | 94.5 | Very high | 130 Ų | 130 | 52.9 Ų | 52.9 | 70% | 0.695 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -62.7 | -30.7 | 177.5 | -71.4 | -17.8 | 0 | 0 | 0 | 112.3 | L142 S143 G148 | L142-N146 WeakPolarHBondContact O-CB 3.34Å; L142-N146 VanDerWaalsContact O-CG 3.27Å; L142-N146 PolarHBondContact O-N 3.41Å; L142-N146 PolarHBondContact O-ND2 3.37Å; S143-N146 PolarHBondContact O-N 3.1Å; S143-N146 VanDerWaalsContact O-N 3.17Å; N146-G148 PolarHBondContact O-N 3.36Å |
| 147 | A | 92.9 | Very high | 94.2 | Very high | 36 Ų | 36 | 53.5 Ų | 53.5 | 30% | 0.298 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -1.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | I111 L118 S143 L144 C145 | I111-A147 HydrophobicContact CD1-CB 3.98Å; I111-A147 HydrophobicContact CG2-CB 3.44Å; I111-A147 VanDerWaalsContact CG2-CB 3.44Å; L118-A147 HydrophobicContact CD1-CB 3.83Å; L118-A147 VanDerWaalsContact CD1-O 3.24Å; L118-A147 WeakPolarHBondContact CD1-O 3.32Å; S143-A147 WeakPolarHBondContact O-CB 3.09Å; S143-A147 PolarHBondContact O-N 3.03Å; L144-A147 PolarHBondContact O-N 2.69Å; C145-A147 PolarHBondContact O-N 3.36Å |
| 148 | G | 91.3 | Very high | 94 | Very high | 55 Ų | 55 | 57.3 Ų | 57.3 | 57% | 0.567 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.9 | 24.8 | 178 | 0 | 0 | 0 | 0 | 0 | 114.6 | L144 C145 N146 T150 | L144-G148 PolarHBondContact O-N 3.13Å; C145-G148 PolarHBondContact O-N 3.11Å; N146-G148 PolarHBondContact O-N 3.36Å; G148-T150 PolarHBondContact O-N 3.28Å |
| 149 | A | 94 | Very high | 93.9 | Very high | 10 Ų | 10 | 58.6 Ų | 58.6 | 8% | 0.083 | 31% | 0.309 | C | S | . | . | trans | -56.3 | 135 | 171 | 0 | 0 | 0 | 0 | 0 | 111.1 | L118 L129 L144 L151 | L118-A149 HydrophobicContact CD2-CB 4.41Å; L129-A149 HydrophobicContact CB-CB 4.45Å; L129-A149 HydrophobicContact CD2-CB 4.08Å; L144-A149 HydrophobicContact CB-CB 4.25Å; L144-A149 WeakPolarHBondContact O-CB 3.25Å; L144-A149 PolarHBondContact O-N 3.06Å; A149-L151 PolarHBondContact O-N 2.59Å | ||
| 150 | T | 94 | Very high | 93.8 | Very high | 91 Ų | 91 | 53.4 Ų | 53.4 | 56% | 0.558 | 28% | 0.282 | S | S | * | . | trans | -70.8 | 119.7 | 178.3 | -53.3 | 0 | 0 | 0 | 0 | 110.3 | G148 V153 | G148-T150 PolarHBondContact O-N 3.28Å; T150-V153 HydrophobicContact CG2-CG2 3.78Å | ||
| 151 | L | 95.1 | Very high | 93.8 | Very high | 25 Ų | 25 | 53.3 Ų | 53.3 | 13% | 0.131 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -21.7 | -172.5 | -53.5 | -179.7 | 0 | 0 | 0 | 113.7 | L129 A149 P161 L177 A180 A182 | L129-L151 HydrophobicContact CD2-CD2 3.69Å; A149-L151 PolarHBondContact O-N 2.59Å; L151-P161 VanDerWaalsContact O-CD 3.23Å; L151-P161 WeakPolarHBondContact O-CD 3.09Å; L151-L177 HydrophobicContact CD2-CD2 4.03Å; L151-A180 HydrophobicContact CD1-CB 3.81Å; L151-A180 VanDerWaalsContact CD1-O 3.32Å; L151-A180 WeakPolarHBondContact CD1-O 3.34Å; L151-A180 HydrophobicContact CD2-CB 4.36Å; L151-A182 HydrophobicContact CB-CB 4.23Å; L151-A182 HydrophobicContact CD1-CB 4.06Å |
| 152 | E | 94.5 | Very high | 93.8 | Very high | 55 Ų | 55 | 53.4 Ų | 53.4 | 26% | 0.257 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 15.1 | -170.9 | -47.9 | -49.5 | 153.6 | 0 | 0 | 114.2 | R154 A182 R183 I186 | E152-R154 PolarHBondContact O-N 2.99Å; E152-A182 WeakPolarHBondContact OE1-CA 3.47Å; E152-R183 PolarHBondContact OE1-N 2.92Å; E152-I186 HydrophobicContact CB-CD1 4.06Å; E152-I186 HydrophobicContact CG-CD1 4.22Å; E152-I186 WeakPolarHBondContact OE2-CD1 3.46Å |
| 153 | V | 94.3 | Very high | 93.8 | Very high | 42 Ų | 42 | 49.8 Ų | 49.8 | 26% | 0.255 | 26% | 0.263 | S | S | . | . | trans | -64.4 | 133.2 | 176 | -178.5 | 0 | 0 | 0 | 0 | 108.6 | T127 H130 T150 T160 | T127-V153 HydrophobicContact CG2-CB 3.97Å; T127-V153 HydrophobicContact CG2-CG1 3.73Å; T127-V153 HydrophobicContact CG2-CG2 4.08Å; H130-V153 PolarHBondContact CE1-O 2.83Å; H130-V153 PolarHBondContact NE2-O 3.45Å; T150-V153 HydrophobicContact CG2-CG2 3.78Å; V153-T160 WeakPolarHBondContact O-CA 3.47Å | ||
| 154 | R | 93.7 | Very high | 93.8 | Very high | 110 Ų | 110 | 49 Ų | 49 | 42% | 0.415 | 26% | 0.257 | S | S | . | . | trans | -101.6 | 126.2 | 175.7 | -70.5 | -175.4 | -179.4 | -137.3 | 12.9 | 109.9 | E152 K159 T160 T187 | E152-R154 PolarHBondContact O-N 2.99Å; R154-K159 WeakPolarHBondContact CA-O 3.49Å; R154-T160 HydrophobicContact CG-CG2 3.95Å; R154-T187 PolarHBondContact NH1-O 3.32Å | ||
| 155 | N | 93.5 | Very high | 93.8 | Very high | 14 Ų | 14 | 49 Ų | 49 | 8% | 0.075 | 26% | 0.257 | C | S | . | . | trans | -73 | -175.5 | 172.4 | 75.1 | 0.8 | 0 | 0 | 0 | 111.6 | G125 N126 D157 R158 K159 | G125-N155 WeakPolarHBondContact O-CA 3.19Å; N126-N155 WeakPolarHBondContact OD1-CB 3.4Å; N126-N155 PolarHBondContact OD1-ND2 2.9Å; N155-D157 PolarHBondContact O-N 2.83Å; N155-D157 WeakPolarHBondContact OD1-CA 3.36Å; N155-D157 WeakPolarHBondContact OD1-CB 3.38Å; N155-D157 PolarHBondContact OD1-N 2.78Å; N155-D157 VanDerWaalsContact OD1-N 3.07Å; N155-R158 WeakPolarHBondContact O-CA 3.38Å; N155-R158 PolarHBondContact O-N 3.32Å; N155-R158 PolarHBondContact OD1-N 2.89Å; N155-K159 PolarHBondContact N-O 3.28Å; N155-K159 PolarHBondContact OD1-N 3.05Å; N155-K159 PolarHBondContact OD1-O 3.45Å | ||
| 156 | K | 92.9 | Very high | 93.8 | Very high | 146 Ų | 146 | 48.2 Ų | 48.2 | 64% | 0.635 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -27.5 | -179.1 | -74.7 | -174 | 177.7 | 180 | 0 | 113.8 | K123 N124 R158 | K123-K156 WeakPolarHBondContact O-CD 3.5Å; K123-K156 WeakPolarHBondContact O-CE 3.48Å; K123-K156 PolarHBondContact O-NZ 3.38Å; N124-K156 VanDerWaalsContact O-CB 3.27Å; N124-K156 WeakPolarHBondContact O-CB 3.4Å; N124-K156 WeakPolarHBondContact O-CG 3.48Å; N124-K156 PolarHBondContact O-N 3.29Å; K156-R158 PolarHBondContact O-N 2.96Å |
| 157 | D | 87.4 | Confident | 93.8 | Very high | 91 Ų | 91 | 44.8 Ų | 44.8 | 49% | 0.487 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 10.2 | 172 | -61 | -14.8 | 0 | 0 | 0 | 112.5 | N155 K159 | N155-D157 PolarHBondContact O-N 2.83Å; N155-D157 WeakPolarHBondContact OD1-CA 3.36Å; N155-D157 WeakPolarHBondContact OD1-CB 3.38Å; N155-D157 PolarHBondContact OD1-N 2.78Å; N155-D157 VanDerWaalsContact OD1-N 3.07Å; D157-K159 HydrophobicContact CB-CD 3.91Å; D157-K159 HydrophobicContact CB-CG 4.2Å; D157-K159 PolarHBondContact O-N 3.45Å; D157-K159 VanDerWaalsContact O-N 3.13Å; D157-K159 IonicContact OD2-NZ 2.72Å |
| 158 | R | 90.3 | Very high | 93.7 | Very high | 145 Ų | 145 | 45.4 Ų | 45.4 | 55% | 0.547 | 23% | 0.233 | S | C | . | . | S | Bend | trans | 59.3 | 18.7 | -175.8 | -55.8 | -171.4 | 176.1 | -165 | -2.2 | 115 | N155 K156 E189 | N155-R158 WeakPolarHBondContact O-CA 3.38Å; N155-R158 PolarHBondContact O-N 3.32Å; N155-R158 PolarHBondContact OD1-N 2.89Å; K156-R158 PolarHBondContact O-N 2.96Å; R158-E189 HydrophobicContact CB-CG 4.29Å; R158-E189 WeakPolarHBondContact CD-OE1 3.11Å; R158-E189 HydrophobicContact CG-CG 4.37Å; R158-E189 IonicContact NE-OE1 3.62Å |
| 159 | K | 92.3 | Very high | 93.8 | Very high | 56 Ų | 56 | 45.5 Ų | 45.5 | 24% | 0.243 | 23% | 0.225 | C | C | . | . | trans | -89.2 | 142.4 | 178.7 | -66.4 | 164.5 | -175.5 | 162 | 0 | 110.4 | H130 R154 N155 D157 L163 I167 | H130-K159 PolarHBondContact NE2-O 3.3Å; H130-K159 VanDerWaalsContact NE2-O 3.08Å; R154-K159 WeakPolarHBondContact CA-O 3.49Å; N155-K159 PolarHBondContact N-O 3.28Å; N155-K159 PolarHBondContact OD1-N 3.05Å; N155-K159 PolarHBondContact OD1-O 3.45Å; D157-K159 HydrophobicContact CB-CD 3.91Å; D157-K159 HydrophobicContact CB-CG 4.2Å; D157-K159 PolarHBondContact O-N 3.45Å; D157-K159 VanDerWaalsContact O-N 3.13Å; D157-K159 IonicContact OD2-NZ 2.72Å; K159-L163 HydrophobicContact CB-CB 4.18Å; K159-L163 HydrophobicContact CG-CB 4.47Å; K159-I167 HydrophobicContact CD-CD1 3.65Å; K159-I167 HydrophobicContact CG-CD1 4.35Å | ||
| 160 | T | 95 | Very high | 93.7 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | trans | -90.1 | 166.3 | 169.8 | 59.2 | 0 | 0 | 0 | 0 | 110.7 | V153 R154 L162 L163 C164 I186 | V153-T160 WeakPolarHBondContact O-CA 3.47Å; R154-T160 HydrophobicContact CG-CG2 3.95Å; T160-L162 PolarHBondContact O-N 3.01Å; T160-L163 PolarHBondContact O-N 2.88Å; T160-L163 PolarHBondContact OG1-N 3.02Å; T160-C164 PolarHBondContact O-N 3.2Å; T160-I186 HydrophobicContact CG2-CD1 4.09Å; T160-I186 HydrophobicContact CG2-CG2 3.79Å | ||
| 161 | P | 95.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -53.2 | -36.1 | 172.9 | -24.7 | 33.6 | 0 | 0 | 0 | 112.9 | L129 H130 L151 C164 A165 L177 | L129-P161 HydrophobicContact CB-CG 4.47Å; L129-P161 HydrophobicContact CD2-CB 4.14Å; L129-P161 HydrophobicContact CD2-CG 4.02Å; L129-P161 HydrophobicContact CG-CB 3.92Å; L129-P161 HydrophobicContact CG-CG 4.08Å; H130-P161 VanDerWaalsContact CE1-CD 3.47Å; H130-P161 WeakPolarHBondContact CE1-CD 3.17Å; H130-P161 VanDerWaalsContact NE2-CD 3.35Å; H130-P161 WeakPolarHBondContact NE2-CD 3.38Å; L151-P161 VanDerWaalsContact O-CD 3.23Å; L151-P161 WeakPolarHBondContact O-CD 3.09Å; P161-C164 PolarHBondContact O-N 3.1Å; P161-A165 WeakPolarHBondContact O-CB 3.06Å; P161-A165 PolarHBondContact O-N 3.48Å; P161-L177 HydrophobicContact CB-CD1 4.2Å; P161-L177 HydrophobicContact CB-CD2 4.36Å |
| 162 | L | 96.8 | Very high | 93.5 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.7 | -46.9 | 175.8 | -177.4 | 65.5 | 0 | 0 | 0 | 111.7 | T160 C164 A165 V166 V174 L177 L178 A182 V184 A194 | T160-L162 PolarHBondContact O-N 3.01Å; L162-C164 VanDerWaalsContact C-N 3.3Å; L162-C164 PolarHBondContact O-N 3.49Å; L162-A165 PolarHBondContact O-N 3.04Å; L162-V166 WeakPolarHBondContact O-CG2 3.48Å; L162-V166 PolarHBondContact O-N 3.28Å; L162-V174 HydrophobicContact CD1-CG1 4.2Å; L162-V174 HydrophobicContact CD1-CG2 4.41Å; L162-L177 HydrophobicContact CB-CD1 4.08Å; L162-L177 HydrophobicContact CD1-CB 4.09Å; L162-L177 HydrophobicContact CD1-CD1 4.14Å; L162-L178 HydrophobicContact CD2-CD2 4.5Å; L162-A182 HydrophobicContact CD2-CB 4.37Å; L162-V184 HydrophobicContact CD2-CG1 4.08Å; L162-A194 HydrophobicContact CD2-CB 4.31Å; L162-A194 HydrophobicContact CG-CB 4.45Å |
| 163 | L | 95.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.3 | -40.1 | 176 | -66.7 | 172.9 | 0 | 0 | 0 | 111.1 | K159 T160 V166 I167 A194 L197 | K159-L163 HydrophobicContact CB-CB 4.18Å; K159-L163 HydrophobicContact CG-CB 4.47Å; T160-L163 PolarHBondContact O-N 2.88Å; T160-L163 PolarHBondContact OG1-N 3.02Å; L163-V166 PolarHBondContact O-N 2.85Å; L163-I167 WeakPolarHBondContact O-CB 3.09Å; L163-I167 WeakPolarHBondContact O-CD1 3.4Å; L163-I167 WeakPolarHBondContact O-CG1 3.47Å; L163-I167 PolarHBondContact O-N 3.38Å; L163-A194 HydrophobicContact CD2-CB 4.03Å; L163-L197 HydrophobicContact CB-CD1 4.46Å; L163-L197 HydrophobicContact CD2-CD1 3.67Å |
| 164 | C | 95.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.014 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.6 | -44.4 | 174.3 | -70.5 | 0 | 0 | 0 | 0 | 112.5 | C133 L134 T160 P161 L162 V166 I167 T168 | C133-C164 HydrophobicContact CB-CB 4.46Å; L134-C164 HydrophobicContact CD2-CB 3.77Å; L134-C164 HydrophobicContact CG-CB 3.95Å; T160-C164 PolarHBondContact O-N 3.2Å; P161-C164 PolarHBondContact O-N 3.1Å; L162-C164 VanDerWaalsContact C-N 3.3Å; L162-C164 PolarHBondContact O-N 3.49Å; C164-V166 VanDerWaalsContact C-N 3.3Å; C164-V166 PolarHBondContact O-N 2.81Å; C164-I167 PolarHBondContact O-N 3.31Å; C164-T168 PolarHBondContact O-N 2.68Å; C164-T168 PolarHBondContact O-OG1 2.61Å; C164-T168 VanDerWaalsContact O-OG1 3.08Å |
| 165 | A | 95.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.9 | -36.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | C133 P161 L162 T168 S169 S170 C173 V174 L177 | C133-A165 HydrophobicContact CB-CB 3.99Å; P161-A165 WeakPolarHBondContact O-CB 3.06Å; P161-A165 PolarHBondContact O-N 3.48Å; L162-A165 PolarHBondContact O-N 3.04Å; A165-T168 PolarHBondContact O-OG1 2.95Å; A165-S169 PolarHBondContact O-N 2.7Å; A165-S170 WeakPolarHBondContact O-CB 3.46Å; A165-S170 PolarHBondContact O-N 3.32Å; A165-C173 HydrophobicContact CB-CB 3.87Å; A165-V174 HydrophobicContact CB-CG2 3.82Å; A165-L177 HydrophobicContact CB-CD1 4.12Å |
| 166 | V | 95.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.6 | -49.3 | 173.5 | 174.4 | 0 | 0 | 0 | 0 | 110.3 | L162 L163 C164 T168 S169 V174 A194 L197 A198 Q201 I206 L210 | L162-V166 WeakPolarHBondContact O-CG2 3.48Å; L162-V166 PolarHBondContact O-N 3.28Å; L163-V166 PolarHBondContact O-N 2.85Å; C164-V166 VanDerWaalsContact C-N 3.3Å; C164-V166 PolarHBondContact O-N 2.81Å; V166-T168 PolarHBondContact O-N 3.2Å; V166-T168 VanDerWaalsContact O-N 3.16Å; V166-S169 WeakPolarHBondContact O-CA 3.25Å; V166-S169 PolarHBondContact O-N 2.93Å; V166-V174 HydrophobicContact CG2-CG2 3.84Å; V166-A194 HydrophobicContact CG2-CB 4.16Å; V166-L197 HydrophobicContact CG1-CB 3.84Å; V166-A198 HydrophobicContact CG1-CB 3.88Å; V166-Q201 PolarHBondContact O-OE1 3.1Å; V166-I206 HydrophobicContact CG1-CG2 4.25Å; V166-I206 HydrophobicContact CG2-CG2 3.88Å; V166-L210 HydrophobicContact CG2-CD1 4.14Å |
| 167 | I | 93.1 | Very high | 93.9 | Very high | 58 Ų | 58 | 33.4 Ų | 33.4 | 30% | 0.297 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -57.8 | -33.9 | -179.2 | -70.1 | 163.1 | 0 | 0 | 0 | 111.9 | K159 L163 C164 S169 L197 Q201 | K159-I167 HydrophobicContact CD-CD1 3.65Å; K159-I167 HydrophobicContact CG-CD1 4.35Å; L163-I167 WeakPolarHBondContact O-CB 3.09Å; L163-I167 WeakPolarHBondContact O-CD1 3.4Å; L163-I167 WeakPolarHBondContact O-CG1 3.47Å; L163-I167 PolarHBondContact O-N 3.38Å; C164-I167 PolarHBondContact O-N 3.31Å; I167-S169 VanDerWaalsContact C-N 3.31Å; I167-L197 HydrophobicContact CD1-CD1 4.17Å; I167-L197 HydrophobicContact CG1-CD1 4.01Å; I167-Q201 PolarHBondContact O-NE2 3.2Å |
| 168 | T | 92.1 | Very high | 94.2 | Very high | 49 Ų | 49 | 30.8 Ų | 30.8 | 30% | 0.301 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 8.6 | 176.8 | 59.2 | 0 | 0 | 0 | 0 | 114.2 | C133 L134 C164 A165 V166 S170 | C133-T168 PolarHBondContact O-OG1 3.04Å; C133-T168 VanDerWaalsContact O-OG1 3.11Å; L134-T168 HydrophobicContact CD2-CG2 4.02Å; C164-T168 PolarHBondContact O-N 2.68Å; C164-T168 PolarHBondContact O-OG1 2.61Å; C164-T168 VanDerWaalsContact O-OG1 3.08Å; A165-T168 PolarHBondContact O-OG1 2.95Å; V166-T168 PolarHBondContact O-N 3.2Å; V166-T168 VanDerWaalsContact O-N 3.16Å; T168-S170 PolarHBondContact O-N 2.86Å; T168-S170 VanDerWaalsContact O-N 3.16Å |
| 169 | S | 91.8 | Very high | 94.4 | Very high | 58 Ų | 58 | 31.2 Ų | 31.2 | 41% | 0.406 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 31.9 | -178.7 | -57.3 | 0 | 0 | 0 | 0 | 113 | A165 V166 I167 E171 D203 | A165-S169 PolarHBondContact O-N 2.7Å; V166-S169 WeakPolarHBondContact O-CA 3.25Å; V166-S169 PolarHBondContact O-N 2.93Å; I167-S169 VanDerWaalsContact C-N 3.31Å; S169-E171 PolarHBondContact O-N 2.92Å; S169-E171 VanDerWaalsContact O-N 3.15Å; S169-D203 WeakPolarHBondContact CB-OD2 3.38Å; S169-D203 PolarHBondContact OG-OD2 3.29Å |
| 170 | S | 92.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.007 | 17% | 0.171 | C | C | . | . | trans | -86.2 | 82.7 | -178.8 | 179.9 | 0 | 0 | 0 | 0 | 111.1 | N136 A165 T168 S172 C173 V174 | N136-S170 WeakPolarHBondContact OD1-CB 3.44Å; N136-S170 PolarHBondContact OD1-OG 3.39Å; A165-S170 WeakPolarHBondContact O-CB 3.46Å; A165-S170 PolarHBondContact O-N 3.32Å; T168-S170 PolarHBondContact O-N 2.86Å; T168-S170 VanDerWaalsContact O-N 3.16Å; S170-S172 VanDerWaalsContact C-N 3.25Å; S170-S172 PolarHBondContact O-N 3.27Å; S170-C173 PolarHBondContact O-N 3.27Å; S170-C173 WeakPolarHBondContact OG-CB 3.35Å; S170-C173 PolarHBondContact OG-N 3.34Å; S170-C173 PolarHBondContact OG-SG 3.39Å; S170-V174 WeakPolarHBondContact O-CG2 3.49Å; S170-V174 PolarHBondContact O-N 3.36Å | ||
| 171 | E | 91.9 | Very high | 94.3 | Very high | 51 Ų | 51 | 33.4 Ų | 33.4 | 24% | 0.238 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -52.6 | -43.8 | 176.3 | -171 | -160.7 | 152 | 0 | 0 | 112.1 | S169 V174 R175 L205 I206 L209 | S169-E171 PolarHBondContact O-N 2.92Å; S169-E171 VanDerWaalsContact O-N 3.15Å; E171-V174 PolarHBondContact O-N 2.97Å; E171-R175 WeakPolarHBondContact O-CG 3.3Å; E171-R175 PolarHBondContact O-N 3.37Å; E171-R175 IonicContact OE1-CZ 3Å; E171-R175 IonicContact OE1-NE 2.7Å; E171-R175 PolarHBondContact OE1-NE 3.04Å; E171-R175 IonicContact OE1-NH2 2.61Å; E171-R175 PolarHBondContact OE1-NH2 2.84Å; E171-L205 HydrophobicContact CG-CB 4.4Å; E171-L205 WeakPolarHBondContact OE2-CD1 3.25Å; E171-I206 HydrophobicContact CB-CG1 4.41Å; E171-L209 HydrophobicContact CG-CD1 3.65Å |
| 172 | S | 93.5 | Very high | 94.2 | Very high | 59 Ų | 59 | 33.9 Ų | 33.9 | 41% | 0.413 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -64.6 | -43.5 | -177.9 | -57.9 | 0 | 0 | 0 | 0 | 112.4 | S138 S170 R175 V176 | S138-S172 VanDerWaalsContact CB-CB 3.46Å; S170-S172 VanDerWaalsContact C-N 3.25Å; S170-S172 PolarHBondContact O-N 3.27Å; S172-R175 PolarHBondContact O-N 3.31Å; S172-V176 WeakPolarHBondContact O-CG2 3.16Å; S172-V176 PolarHBondContact O-N 3.05Å; S172-V176 VanDerWaalsContact O-N 3.09Å |
| 173 | C | 94.1 | Very high | 94 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.5 | -38.3 | 175.9 | -67.6 | 0 | 0 | 0 | 0 | 111.4 | S138 A165 S170 R175 V176 L177 | S138-C173 VanDerWaalsContact CA-SG 3.56Å; A165-C173 HydrophobicContact CB-CB 3.87Å; S170-C173 PolarHBondContact O-N 3.27Å; S170-C173 WeakPolarHBondContact OG-CB 3.35Å; S170-C173 PolarHBondContact OG-N 3.34Å; S170-C173 PolarHBondContact OG-SG 3.39Å; C173-R175 VanDerWaalsContact C-N 3.34Å; C173-R175 PolarHBondContact O-N 2.93Å; C173-V176 PolarHBondContact O-N 3.19Å; C173-L177 WeakPolarHBondContact O-CB 3.34Å; C173-L177 WeakPolarHBondContact O-CG 3.15Å; C173-L177 PolarHBondContact O-N 3.14Å |
| 174 | V | 95.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.4 | -46.2 | 173.7 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | L162 A165 V166 S170 E171 V176 L177 L178 I206 L209 L210 | L162-V174 HydrophobicContact CD1-CG1 4.2Å; L162-V174 HydrophobicContact CD1-CG2 4.41Å; A165-V174 HydrophobicContact CB-CG2 3.82Å; V166-V174 HydrophobicContact CG2-CG2 3.84Å; S170-V174 WeakPolarHBondContact O-CG2 3.49Å; S170-V174 PolarHBondContact O-N 3.36Å; E171-V174 PolarHBondContact O-N 2.97Å; V174-V176 PolarHBondContact O-N 3.04Å; V174-L177 PolarHBondContact O-N 2.74Å; V174-L178 HydrophobicContact CG1-CD1 3.8Å; V174-L178 HydrophobicContact CG1-CG 4.24Å; V174-L178 WeakPolarHBondContact O-CB 3.46Å; V174-L178 VanDerWaalsContact O-CG 3.27Å; V174-L178 WeakPolarHBondContact O-CG 3.18Å; V174-L178 PolarHBondContact O-N 3.15Å; V174-I206 HydrophobicContact CG1-CG2 4.37Å; V174-I206 HydrophobicContact CG2-CD1 4.42Å; V174-I206 HydrophobicContact CG2-CG2 4.27Å; V174-L209 HydrophobicContact CG1-CB 4.42Å; V174-L209 HydrophobicContact CG1-CD1 4.3Å; V174-L210 HydrophobicContact CG1-CD2 4.34Å |
| 175 | R | 95 | Very high | 93.6 | Very high | 110 Ų | 110 | 45.4 Ų | 45.4 | 42% | 0.415 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -57.2 | -48.3 | 175.8 | -74.1 | 178.7 | -178.2 | -103.9 | 4.4 | 111.9 | E171 S172 C173 L178 L179 L209 | E171-R175 WeakPolarHBondContact O-CG 3.3Å; E171-R175 PolarHBondContact O-N 3.37Å; E171-R175 IonicContact OE1-CZ 3Å; E171-R175 IonicContact OE1-NE 2.7Å; E171-R175 PolarHBondContact OE1-NE 3.04Å; E171-R175 IonicContact OE1-NH2 2.61Å; E171-R175 PolarHBondContact OE1-NH2 2.84Å; S172-R175 PolarHBondContact O-N 3.31Å; C173-R175 VanDerWaalsContact C-N 3.34Å; C173-R175 PolarHBondContact O-N 2.93Å; R175-L178 PolarHBondContact O-N 3.36Å; R175-L179 WeakPolarHBondContact O-CB 3.49Å; R175-L179 VanDerWaalsContact O-CG 3.28Å; R175-L179 WeakPolarHBondContact O-CG 3.44Å; R175-L179 PolarHBondContact O-N 3.48Å; R175-L209 HydrophobicContact CG-CD1 3.44Å; R175-L209 VanDerWaalsContact CG-CD1 3.44Å; R175-L209 HydrophobicContact CG-CD2 3.8Å; R175-L209 HydrophobicContact CG-CG 4.27Å |
| 176 | V | 95.1 | Very high | 93.4 | Very high | 17 Ų | 17 | 46.4 Ų | 46.4 | 10% | 0.103 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.3 | -48.6 | 179.6 | 167 | 0 | 0 | 0 | 0 | 111.1 | A141 L142 S172 C173 V174 L179 A180 | A141-V176 HydrophobicContact CB-CG1 4.33Å; L142-V176 HydrophobicContact CB-CG1 3.9Å; L142-V176 HydrophobicContact CB-CG2 4.15Å; L142-V176 HydrophobicContact CD1-CG1 4.07Å; L142-V176 HydrophobicContact CD1-CG2 4.49Å; S172-V176 WeakPolarHBondContact O-CG2 3.16Å; S172-V176 PolarHBondContact O-N 3.05Å; S172-V176 VanDerWaalsContact O-N 3.09Å; C173-V176 PolarHBondContact O-N 3.19Å; V174-V176 PolarHBondContact O-N 3.04Å; V176-L179 PolarHBondContact O-N 3.24Å; V176-A180 WeakPolarHBondContact O-CB 3.11Å; V176-A180 PolarHBondContact O-N 3.44Å |
| 177 | L | 96.2 | Very high | 93.2 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.6 | -40.5 | -178.5 | -70.4 | 172.1 | 0 | 0 | 0 | 112.5 | L129 L151 P161 L162 A165 C173 V174 A180 G181 A182 | L129-L177 HydrophobicContact CD1-CD2 4.21Å; L129-L177 HydrophobicContact CD2-CD2 3.93Å; L129-L177 HydrophobicContact CG-CD2 4.31Å; L151-L177 HydrophobicContact CD2-CD2 4.03Å; P161-L177 HydrophobicContact CB-CD1 4.2Å; P161-L177 HydrophobicContact CB-CD2 4.36Å; L162-L177 HydrophobicContact CB-CD1 4.08Å; L162-L177 HydrophobicContact CD1-CB 4.09Å; L162-L177 HydrophobicContact CD1-CD1 4.14Å; A165-L177 HydrophobicContact CB-CD1 4.12Å; C173-L177 WeakPolarHBondContact O-CB 3.34Å; C173-L177 WeakPolarHBondContact O-CG 3.15Å; C173-L177 PolarHBondContact O-N 3.14Å; V174-L177 PolarHBondContact O-N 2.74Å; L177-A180 CarbonylContact O-C 3.51Å; L177-A180 PolarHBondContact O-N 3.49Å; L177-G181 PolarHBondContact O-N 3.09Å; L177-A182 HydrophobicContact CB-CB 4.02Å; L177-A182 WeakPolarHBondContact O-CB 3.49Å; L177-A182 PolarHBondContact O-N 3.31Å |
| 178 | L | 94.7 | Very high | 93.1 | Very high | 36 Ų | 36 | 46.8 Ų | 46.8 | 19% | 0.188 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.8 | -40.6 | 175.4 | -69.3 | 176 | 0 | 0 | 0 | 111.7 | L162 V174 R175 A180 G181 V184 L209 L210 A213 | L162-L178 HydrophobicContact CD2-CD2 4.5Å; V174-L178 HydrophobicContact CG1-CD1 3.8Å; V174-L178 HydrophobicContact CG1-CG 4.24Å; V174-L178 WeakPolarHBondContact O-CB 3.46Å; V174-L178 VanDerWaalsContact O-CG 3.27Å; V174-L178 WeakPolarHBondContact O-CG 3.18Å; V174-L178 PolarHBondContact O-N 3.15Å; R175-L178 PolarHBondContact O-N 3.36Å; L178-A180 VanDerWaalsContact C-N 3.29Å; L178-A180 PolarHBondContact O-N 3.33Å; L178-G181 PolarHBondContact O-N 3.2Å; L178-G181 VanDerWaalsContact O-N 3.08Å; L178-V184 HydrophobicContact CD2-CG1 3.4Å; L178-L209 HydrophobicContact CD1-CB 3.97Å; L178-L210 HydrophobicContact CD1-CD2 4.22Å; L178-L210 HydrophobicContact CD2-CD2 4.18Å; L178-A213 HydrophobicContact CD2-CB 3.95Å |
| 179 | L | 93.5 | Very high | 92.9 | Very high | 154 Ų | 154 | 50.7 Ų | 50.7 | 81% | 0.806 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -64.6 | -34.6 | 174.3 | -75.1 | 169.1 | 0 | 0 | 0 | 112.2 | R175 V176 G181 | R175-L179 WeakPolarHBondContact O-CB 3.49Å; R175-L179 VanDerWaalsContact O-CG 3.28Å; R175-L179 WeakPolarHBondContact O-CG 3.44Å; R175-L179 PolarHBondContact O-N 3.48Å; V176-L179 PolarHBondContact O-N 3.24Å; L179-G181 PolarHBondContact O-N 2.96Å |
| 180 | A | 93.2 | Very high | 92.8 | Very high | 46 Ų | 46 | 53.8 Ų | 53.8 | 38% | 0.38 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -6.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | C145 L151 V176 L177 L178 | C145-A180 HydrophobicContact CB-CB 3.82Å; L151-A180 HydrophobicContact CD1-CB 3.81Å; L151-A180 VanDerWaalsContact CD1-O 3.32Å; L151-A180 WeakPolarHBondContact CD1-O 3.34Å; L151-A180 HydrophobicContact CD2-CB 4.36Å; V176-A180 WeakPolarHBondContact O-CB 3.11Å; V176-A180 PolarHBondContact O-N 3.44Å; L177-A180 CarbonylContact O-C 3.51Å; L177-A180 PolarHBondContact O-N 3.49Å; L178-A180 VanDerWaalsContact C-N 3.29Å; L178-A180 PolarHBondContact O-N 3.33Å |
| 181 | G | 92.3 | Very high | 92.7 | Very high | 56 Ų | 56 | 54.2 Ų | 54.2 | 58% | 0.577 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.2 | 24.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115 | L177 L178 L179 | L177-G181 PolarHBondContact O-N 3.09Å; L178-G181 PolarHBondContact O-N 3.2Å; L178-G181 VanDerWaalsContact O-N 3.08Å; L179-G181 PolarHBondContact O-N 2.96Å |
| 182 | A | 94 | Very high | 92.8 | Very high | 10 Ų | 10 | 51.9 Ų | 51.9 | 8% | 0.083 | 28% | 0.281 | C | S | . | . | trans | -60.4 | 140.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L151 E152 L162 L177 | L151-A182 HydrophobicContact CB-CB 4.23Å; L151-A182 HydrophobicContact CD1-CB 4.06Å; E152-A182 WeakPolarHBondContact OE1-CA 3.47Å; L162-A182 HydrophobicContact CD2-CB 4.37Å; L177-A182 HydrophobicContact CB-CB 4.02Å; L177-A182 WeakPolarHBondContact O-CB 3.49Å; L177-A182 PolarHBondContact O-N 3.31Å | ||
| 183 | R | 92.6 | Very high | 92.8 | Very high | 138 Ų | 138 | 49.2 Ų | 49.2 | 52% | 0.521 | 26% | 0.262 | S | S | . | . | trans | -75.1 | 127.4 | 178.6 | -73.4 | -174.9 | 67.6 | 167.4 | 4.2 | 111.6 | E152 D185 I186 | E152-R183 PolarHBondContact OE1-N 2.92Å; R183-D185 WeakPolarHBondContact CB-OD1 3.33Å; R183-D185 IonicContact CZ-OD1 3.33Å; R183-D185 IonicContact CZ-OD2 3.34Å; R183-D185 IonicContact NE-OD1 3.9Å; R183-D185 PolarHBondContact NE-OD1 3.26Å; R183-D185 IonicContact NE-OD2 3.24Å; R183-D185 IonicContact NH2-OD1 2.72Å; R183-D185 PolarHBondContact NH2-OD1 3.27Å; R183-D185 IonicContact NH2-OD2 3.74Å; R183-D185 PolarHBondContact NH2-OD2 3.29Å; R183-I186 HydrophobicContact CB-CD1 4.13Å; R183-I186 HydrophobicContact CB-CG1 4.04Å | ||
| 184 | V | 92.7 | Very high | 92.9 | Very high | 22 Ų | 22 | 49.3 Ų | 49.3 | 13% | 0.133 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -91.2 | -12.2 | -178.5 | -66.9 | 0 | 0 | 0 | 0 | 114 | L162 L178 I186 L210 A213 V214 | L162-V184 HydrophobicContact CD2-CG1 4.08Å; L178-V184 HydrophobicContact CD2-CG1 3.4Å; V184-I186 VanDerWaalsContact C-N 3.34Å; V184-L210 HydrophobicContact CG1-CD2 4.02Å; V184-A213 HydrophobicContact CG1-CB 3.99Å; V184-V214 HydrophobicContact CB-CG2 3.86Å; V184-V214 HydrophobicContact CG2-CB 4.45Å; V184-V214 HydrophobicContact CG2-CG2 3.54Å |
| 185 | D | 90.4 | Very high | 92.9 | Very high | 87 Ų | 87 | 49.3 Ų | 49.3 | 47% | 0.465 | 26% | 0.262 | S | S | . | . | trans | -87.2 | -2.4 | -176 | 64.4 | -33.5 | 0 | 0 | 0 | 113.8 | R183 | R183-D185 WeakPolarHBondContact CB-OD1 3.33Å; R183-D185 IonicContact CZ-OD1 3.33Å; R183-D185 IonicContact CZ-OD2 3.34Å; R183-D185 IonicContact NE-OD1 3.9Å; R183-D185 PolarHBondContact NE-OD1 3.26Å; R183-D185 IonicContact NE-OD2 3.24Å; R183-D185 IonicContact NH2-OD1 2.72Å; R183-D185 PolarHBondContact NH2-OD1 3.27Å; R183-D185 IonicContact NH2-OD2 3.74Å; R183-D185 PolarHBondContact NH2-OD2 3.29Å | ||
| 186 | I | 91.8 | Very high | 92.9 | Very high | 21 Ų | 21 | 44.1 Ų | 44.1 | 11% | 0.108 | 24% | 0.243 | C | C | . | . | trans | -75 | 134.3 | 179.1 | -59.6 | -165.3 | 0 | 0 | 0 | 110.7 | E152 T160 R183 V184 | E152-I186 HydrophobicContact CB-CD1 4.06Å; E152-I186 HydrophobicContact CG-CD1 4.22Å; E152-I186 WeakPolarHBondContact OE2-CD1 3.46Å; T160-I186 HydrophobicContact CG2-CD1 4.09Å; T160-I186 HydrophobicContact CG2-CG2 3.79Å; R183-I186 HydrophobicContact CB-CD1 4.13Å; R183-I186 HydrophobicContact CB-CG1 4.04Å; V184-I186 VanDerWaalsContact C-N 3.34Å | ||
| 187 | T | 92.1 | Very high | 92.9 | Very high | 44 Ų | 44 | 44.1 Ų | 44.1 | 27% | 0.27 | 24% | 0.242 | S | C | . | . | B | Isolated β-bridge | trans | -110.1 | 152.1 | -178.1 | 66.9 | 0 | 0 | 0 | 0 | 113.6 | R154 G191 N192 T193 | R154-T187 PolarHBondContact NH1-O 3.32Å; T187-G191 WeakPolarHBondContact CG2-O 3.21Å; T187-N192 VanDerWaalsContact CA-O 3.27Å; T187-N192 WeakPolarHBondContact CA-O 3.43Å; T187-T193 HydrophobicContact CG2-CG2 3.75Å |
| 188 | D | 90.1 | Very high | 92.9 | Very high | 23 Ų | 23 | 44.1 Ų | 44.1 | 12% | 0.123 | 24% | 0.242 | C | C | . | . | trans | -72.3 | -170 | 163.9 | 72.7 | 3.3 | 0 | 0 | 0 | 112.3 | E190 G191 N192 | D188-E190 VanDerWaalsContact C-N 3.28Å; D188-E190 PolarHBondContact O-N 3.35Å; D188-E190 WeakPolarHBondContact OD1-CA 3.48Å; D188-E190 PolarHBondContact OD1-N 3.27Å; D188-G191 PolarHBondContact O-N 3.13Å; D188-G191 PolarHBondContact OD1-N 2.87Å; D188-G191 VanDerWaalsContact OD1-N 3.08Å; D188-N192 PolarHBondContact N-O 3.15Å; D188-N192 WeakPolarHBondContact OD1-CA 3.43Å; D188-N192 WeakPolarHBondContact OD1-CB 3.17Å; D188-N192 PolarHBondContact OD1-N 3.23Å; D188-N192 WeakPolarHBondContact OD2-CB 3.28Å; D188-N192 PolarHBondContact OD2-ND2 3.45Å | ||
| 189 | E | 88.4 | Confident | 93 | Very high | 131 Ų | 131 | 42.4 Ų | 42.4 | 61% | 0.612 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -25.8 | -179 | -52.4 | -155.4 | 135.8 | 0 | 0 | 113.7 | R158 G191 | R158-E189 HydrophobicContact CB-CG 4.29Å; R158-E189 WeakPolarHBondContact CD-OE1 3.11Å; R158-E189 HydrophobicContact CG-CG 4.37Å; R158-E189 IonicContact NE-OE1 3.62Å; E189-G191 VanDerWaalsContact C-N 3.28Å |
| 190 | E | 88.9 | Confident | 93.1 | Very high | 122 Ų | 122 | 37.4 Ų | 37.4 | 57% | 0.57 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | 3.3 | 176.8 | -64.6 | -178.7 | 179 | 0 | 0 | 112 | D188 N192 T222 | D188-E190 VanDerWaalsContact C-N 3.28Å; D188-E190 PolarHBondContact O-N 3.35Å; D188-E190 WeakPolarHBondContact OD1-CA 3.48Å; D188-E190 PolarHBondContact OD1-N 3.27Å; E190-N192 WeakPolarHBondContact CB-ND2 3.39Å; E190-N192 PolarHBondContact O-N 3.38Å; E190-N192 PolarHBondContact OE2-ND2 3.07Å; E190-T222 VanDerWaalsContact O-CB 3.31Å; E190-T222 WeakPolarHBondContact O-CB 3.48Å; E190-T222 VanDerWaalsContact O-CG2 3.31Å; E190-T222 WeakPolarHBondContact O-CG2 3.15Å; E190-T222 PolarHBondContact O-N 3.21Å; E190-T222 VanDerWaalsContact O-N 3.12Å; E190-T222 PolarHBondContact O-OG1 2.98Å |
| 191 | G | 91.4 | Very high | 93.1 | Very high | 10 Ų | 10 | 38.5 Ų | 38.5 | 10% | 0.103 | 20% | 0.204 | C | C | . | . | trans | 73.7 | 13.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | T187 D188 E189 T193 N221 | T187-G191 WeakPolarHBondContact CG2-O 3.21Å; D188-G191 PolarHBondContact O-N 3.13Å; D188-G191 PolarHBondContact OD1-N 2.87Å; D188-G191 VanDerWaalsContact OD1-N 3.08Å; E189-G191 VanDerWaalsContact C-N 3.28Å; G191-T193 PolarHBondContact O-N 3.18Å; G191-N221 WeakPolarHBondContact O-CA 3.3Å; G191-N221 WeakPolarHBondContact O-CB 3.46Å | ||
| 192 | N | 93 | Very high | 93.1 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.016 | 19% | 0.185 | C | C | . | . | trans | -75.2 | 122.3 | 174.8 | -58.7 | -48.4 | 0 | 0 | 0 | 109.1 | T187 D188 E190 H196 L197 N221 | T187-N192 VanDerWaalsContact CA-O 3.27Å; T187-N192 WeakPolarHBondContact CA-O 3.43Å; D188-N192 PolarHBondContact N-O 3.15Å; D188-N192 WeakPolarHBondContact OD1-CA 3.43Å; D188-N192 WeakPolarHBondContact OD1-CB 3.17Å; D188-N192 PolarHBondContact OD1-N 3.23Å; D188-N192 WeakPolarHBondContact OD2-CB 3.28Å; D188-N192 PolarHBondContact OD2-ND2 3.45Å; E190-N192 WeakPolarHBondContact CB-ND2 3.39Å; E190-N192 PolarHBondContact O-N 3.38Å; E190-N192 PolarHBondContact OE2-ND2 3.07Å; N192-H196 HydrophobicContact CB-CB 3.73Å; N192-L197 HydrophobicContact CB-CD2 3.84Å; N192-L197 HydrophobicContact CB-CG 4.12Å; N192-N221 WeakPolarHBondContact OD1-CB 3.26Å; N192-N221 PolarHBondContact OD1-ND2 2.8Å | ||
| 193 | T | 94.1 | Very high | 93 | Very high | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.018 | 19% | 0.188 | C | C | . | . | B | Isolated β-bridge | trans | -73.4 | 169.5 | 166 | 62.3 | 0 | 0 | 0 | 0 | 110.6 | T187 G191 L195 H196 L197 I219 | T187-T193 HydrophobicContact CG2-CG2 3.75Å; G191-T193 PolarHBondContact O-N 3.18Å; T193-L195 PolarHBondContact O-N 3.48Å; T193-L195 VanDerWaalsContact O-N 3.1Å; T193-H196 PolarHBondContact N-ND1 3.33Å; T193-H196 WeakPolarHBondContact O-CB 3.21Å; T193-H196 PolarHBondContact O-N 3.28Å; T193-H196 PolarHBondContact OG1-ND1 3.14Å; T193-L197 PolarHBondContact O-N 3.32Å; T193-L197 VanDerWaalsContact O-N 3.13Å; T193-I219 HydrophobicContact CG2-CD1 4.38Å; T193-I219 HydrophobicContact CG2-CG2 4.15Å |
| 194 | A | 95.1 | Very high | 92.8 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.008 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -50.5 | -36.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L162 L163 V166 L197 A198 L210 | L162-A194 HydrophobicContact CD2-CB 4.31Å; L162-A194 HydrophobicContact CG-CB 4.45Å; L163-A194 HydrophobicContact CD2-CB 4.03Å; V166-A194 HydrophobicContact CG2-CB 4.16Å; A194-L197 PolarHBondContact O-N 2.96Å; A194-A198 WeakPolarHBondContact O-CB 3.38Å; A194-A198 PolarHBondContact O-N 3.38Å; A194-L210 VanDerWaalsContact C-CD1 3.48Å; A194-L210 HydrophobicContact CB-CD1 3.77Å; A194-L210 HydrophobicContact CB-CD2 4Å; A194-L210 WeakPolarHBondContact O-CD1 3.31Å |
| 195 | L | 96.5 | Very high | 92.7 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -69.4 | -37 | 178.8 | -173.2 | 62.2 | 0 | 0 | 0 | 112.6 | T193 A199 V207 L210 V217 P227 L243 | T193-L195 PolarHBondContact O-N 3.48Å; T193-L195 VanDerWaalsContact O-N 3.1Å; L195-A199 VanDerWaalsContact O-CB 3.29Å; L195-A199 WeakPolarHBondContact O-CB 3.47Å; L195-A199 PolarHBondContact O-N 2.92Å; L195-V207 HydrophobicContact CD1-CB 4.33Å; L195-V207 HydrophobicContact CD1-CG1 3.91Å; L195-V207 HydrophobicContact CD1-CG2 4.33Å; L195-L210 HydrophobicContact CD1-CB 4.05Å; L195-V217 HydrophobicContact CD2-CG1 3.74Å; L195-P227 HydrophobicContact CB-CG 4.42Å; L195-P227 HydrophobicContact CD2-CB 4.39Å; L195-P227 HydrophobicContact CD2-CG 3.92Å; L195-P227 HydrophobicContact CG-CB 4.05Å; L195-P227 HydrophobicContact CG-CG 3.87Å; L195-L243 HydrophobicContact CD1-CD2 4.22Å |
| 196 | H | 95.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.1 | -46.1 | 174 | -72.1 | 94.4 | 0 | 0 | 0 | 111.2 | N192 T193 A199 I200 I219 F225 P227 L230 | N192-H196 HydrophobicContact CB-CB 3.73Å; T193-H196 PolarHBondContact N-ND1 3.33Å; T193-H196 WeakPolarHBondContact O-CB 3.21Å; T193-H196 PolarHBondContact O-N 3.28Å; T193-H196 PolarHBondContact OG1-ND1 3.14Å; H196-A199 WeakPolarHBondContact O-CB 3.43Å; H196-A199 PolarHBondContact O-N 2.9Å; H196-A199 VanDerWaalsContact O-N 3.16Å; H196-I200 WeakPolarHBondContact O-CG1 3.32Å; H196-I200 PolarHBondContact O-N 2.88Å; H196-I219 PolarHBondContact CE1-O 2.9Å; H196-I219 VanDerWaalsContact CE1-O 3.24Å; H196-I219 PolarHBondContact NE2-O 2.99Å; H196-F225 PolarHBondContact NE2-O 2.78Å; H196-F225 VanDerWaalsContact NE2-O 3.1Å; H196-P227 WeakPolarHBondContact NE2-CD 3.33Å; H196-L230 HydrophobicContact CB-CD1 3.88Å |
| 197 | L | 95.1 | Very high | 93 | Very high | 18 Ų | 18 | 27 Ų | 27 | 9% | 0.094 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.3 | -45.5 | 179.5 | -63.7 | -179.6 | 0 | 0 | 0 | 111.7 | L163 V166 I167 N192 T193 A194 A199 I200 Q201 | L163-L197 HydrophobicContact CB-CD1 4.46Å; L163-L197 HydrophobicContact CD2-CD1 3.67Å; V166-L197 HydrophobicContact CG1-CB 3.84Å; I167-L197 HydrophobicContact CD1-CD1 4.17Å; I167-L197 HydrophobicContact CG1-CD1 4.01Å; N192-L197 HydrophobicContact CB-CD2 3.84Å; N192-L197 HydrophobicContact CB-CG 4.12Å; T193-L197 PolarHBondContact O-N 3.32Å; T193-L197 VanDerWaalsContact O-N 3.13Å; A194-L197 PolarHBondContact O-N 2.96Å; L197-A199 VanDerWaalsContact C-N 3.26Å; L197-A199 PolarHBondContact O-N 3.4Å; L197-I200 HydrophobicContact CD2-CD1 4.34Å; L197-I200 PolarHBondContact O-N 2.74Å; L197-Q201 PolarHBondContact O-N 3.11Å |
| 198 | A | 95.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.1 | -35.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | V166 A194 Q201 G202 D203 I206 V207 L210 | V166-A198 HydrophobicContact CG1-CB 3.88Å; A194-A198 WeakPolarHBondContact O-CB 3.38Å; A194-A198 PolarHBondContact O-N 3.38Å; A198-Q201 PolarHBondContact O-N 3.2Å; A198-G202 PolarHBondContact O-N 3.22Å; A198-D203 PolarHBondContact O-N 3.1Å; A198-I206 HydrophobicContact CB-CB 4.21Å; A198-I206 HydrophobicContact CB-CG2 3.68Å; A198-V207 HydrophobicContact CB-CG2 3.52Å; A198-L210 HydrophobicContact CB-CD1 4.08Å |
| 199 | A | 96.1 | Very high | 93 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -70.3 | -35.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L195 H196 L197 P227 A231 H236 T239 L243 | L195-A199 VanDerWaalsContact O-CB 3.29Å; L195-A199 WeakPolarHBondContact O-CB 3.47Å; L195-A199 PolarHBondContact O-N 2.92Å; H196-A199 WeakPolarHBondContact O-CB 3.43Å; H196-A199 PolarHBondContact O-N 2.9Å; H196-A199 VanDerWaalsContact O-N 3.16Å; L197-A199 VanDerWaalsContact C-N 3.26Å; L197-A199 PolarHBondContact O-N 3.4Å; A199-P227 HydrophobicContact CB-CB 3.94Å; A199-P227 WeakPolarHBondContact CB-O 3.49Å; A199-A231 HydrophobicContact CB-CB 4.23Å; A199-H236 PolarHBondContact O-CD2 3.42Å; A199-H236 VanDerWaalsContact O-CD2 3.3Å; A199-T239 HydrophobicContact CB-CG2 4.5Å; A199-L243 HydrophobicContact CB-CD1 4.38Å |
| 200 | I | 95.5 | Very high | 93.3 | Very high | 50 Ų | 50 | 20.2 Ų | 20.2 | 26% | 0.256 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -63.8 | -43.7 | 172.9 | -69.2 | 163.9 | 0 | 0 | 0 | 110.4 | H196 L197 L230 H236 | H196-I200 WeakPolarHBondContact O-CG1 3.32Å; H196-I200 PolarHBondContact O-N 2.88Å; L197-I200 HydrophobicContact CD2-CD1 4.34Å; L197-I200 PolarHBondContact O-N 2.74Å; I200-L230 HydrophobicContact CD1-CD1 3.9Å; I200-L230 HydrophobicContact CG1-CB 3.95Å; I200-L230 HydrophobicContact CG1-CD1 3.76Å; I200-L230 HydrophobicContact CG1-CG 4.31Å; I200-H236 PolarHBondContact O-CD2 3.03Å; I200-H236 PolarHBondContact O-NE2 3.05Å |
| 201 | Q | 93.9 | Very high | 93.5 | Very high | 68 Ų | 68 | 15.1 Ų | 15.1 | 32% | 0.318 | 8% | 0.083 | S | C | . | . | H | α-helix | trans | -74.8 | -25.2 | -177.9 | -70.8 | 178.9 | -35 | 0 | 0 | 113.5 | V166 I167 L197 A198 H236 | V166-Q201 PolarHBondContact O-OE1 3.1Å; I167-Q201 PolarHBondContact O-NE2 3.2Å; L197-Q201 PolarHBondContact O-N 3.11Å; A198-Q201 PolarHBondContact O-N 3.2Å; Q201-H236 PolarHBondContact O-NE2 3.45Å |
| 202 | G | 92.6 | Very high | 93.3 | Very high | 17 Ų | 17 | 22 Ų | 22 | 18% | 0.175 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | 12.2 | -177 | 0 | 0 | 0 | 0 | 0 | 113.8 | A198 Y204 H236 T239 | A198-G202 PolarHBondContact O-N 3.22Å; G202-Y204 VanDerWaalsContact C-N 3.32Å; G202-Y204 PolarHBondContact O-N 2.9Å; G202-H236 WeakPolarHBondContact CA-CD2 3.35Å; G202-H236 PolarHBondContact N-CD2 3.36Å; G202-H236 PolarHBondContact N-NE2 3.3Å; G202-T239 PolarHBondContact O-OG1 3.19Å; G202-T239 VanDerWaalsContact O-OG1 3.08Å |
| 203 | D | 91.2 | Very high | 92.9 | Very high | 29 Ų | 29 | 24.3 Ų | 24.3 | 16% | 0.155 | 13% | 0.13 | C | C | . | . | trans | -75.4 | 80.8 | 178.9 | -80 | -31.2 | 0 | 0 | 0 | 111.3 | S169 A198 L205 I206 V207 | S169-D203 WeakPolarHBondContact CB-OD2 3.38Å; S169-D203 PolarHBondContact OG-OD2 3.29Å; A198-D203 PolarHBondContact O-N 3.1Å; D203-L205 PolarHBondContact O-N 3.25Å; D203-L205 VanDerWaalsContact O-N 3.13Å; D203-I206 HydrophobicContact CB-CB 4.06Å; D203-I206 HydrophobicContact CB-CD1 4.05Å; D203-I206 HydrophobicContact CB-CG1 4.17Å; D203-I206 PolarHBondContact O-N 2.67Å; D203-I206 VanDerWaalsContact O-N 3.07Å; D203-V207 PolarHBondContact O-N 2.98Å | ||
| 204 | Y | 88.9 | Confident | 92.3 | Very high | 20 Ų | 20 | 25.3 Ų | 25.3 | 8% | 0.078 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.7 | -30.5 | -175.1 | 92.9 | -106.3 | 0 | 0 | 0 | 112.6 | G202 V207 K208 R238 Y618 | G202-Y204 VanDerWaalsContact C-N 3.32Å; G202-Y204 PolarHBondContact O-N 2.9Å; Y204-V207 PolarHBondContact O-N 3.45Å; Y204-K208 WeakPolarHBondContact O-CB 3.4Å; Y204-K208 PolarHBondContact O-N 3.27Å; Y204-R238 HydrophobicContact CD1-CB 4.05Å; Y204-R238 HydrophobicContact CG-CB 4.36Å; Y204-Y618 AromaticContact CD1-CE1 3.77Å; Y204-Y618 HydrophobicContact CD1-CE1 3.77Å; Y204-Y618 AromaticContact CD1-CZ 3.72Å; Y204-Y618 VanDerWaalsContact CD1-OH 3.29Å; Y204-Y618 WeakPolarHBondContact CD1-OH 3.41Å; Y204-Y618 AromaticContact CE1-CD1 3.59Å; Y204-Y618 HydrophobicContact CE1-CD1 3.59Å; Y204-Y618 AromaticContact CE1-CE1 2.87Å; Y204-Y618 HydrophobicContact CE1-CE1 2.87Å; Y204-Y618 HydrophobicContact CE1-CE2 4.21Å; Y204-Y618 HydrophobicContact CE1-CG 4.49Å; Y204-Y618 AromaticContact CE1-CZ 3.23Å; Y204-Y618 WeakPolarHBondContact CE1-OH 3.45Å; Y204-Y618 HydrophobicContact CE2-CE1 4.49Å; Y204-Y618 AromaticContact CZ-CD1 3.74Å; Y204-Y618 AromaticContact CZ-CE1 3.29Å; Y204-Y618 WeakPolarHBondContact OH-CD1 3.41Å; Y204-Y618 WeakPolarHBondContact OH-CE1 3.4Å |
| 205 | L | 90.2 | Very high | 91.2 | Very high | 24 Ų | 24 | 31.6 Ų | 31.6 | 13% | 0.126 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.3 | -41.9 | 177.9 | -70 | 171.2 | 0 | 0 | 0 | 111.5 | E171 D203 K208 L209 Y618 | E171-L205 HydrophobicContact CG-CB 4.4Å; E171-L205 WeakPolarHBondContact OE2-CD1 3.25Å; D203-L205 PolarHBondContact O-N 3.25Å; D203-L205 VanDerWaalsContact O-N 3.13Å; L205-K208 WeakPolarHBondContact O-CB 3.22Å; L205-K208 PolarHBondContact O-N 2.85Å; L205-L209 WeakPolarHBondContact O-CG 3.3Å; L205-L209 PolarHBondContact O-N 3.44Å; L205-Y618 HydrophobicContact CD1-CD1 4.4Å; L205-Y618 HydrophobicContact CD1-CE1 3.63Å; L205-Y618 HydrophobicContact CD2-CE1 4.38Å; L205-Y618 HydrophobicContact CG-CE1 3.87Å |
| 206 | I | 93.5 | Very high | 90.8 | Very high | 3 Ų | 3 | 35.6 Ų | 35.6 | 2% | 0.015 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69.5 | -44.6 | 175.5 | -64.7 | -179.9 | 0 | 0 | 0 | 109.9 | V166 E171 V174 A198 D203 K208 L209 L210 | V166-I206 HydrophobicContact CG1-CG2 4.25Å; V166-I206 HydrophobicContact CG2-CG2 3.88Å; E171-I206 HydrophobicContact CB-CG1 4.41Å; V174-I206 HydrophobicContact CG1-CG2 4.37Å; V174-I206 HydrophobicContact CG2-CD1 4.42Å; V174-I206 HydrophobicContact CG2-CG2 4.27Å; A198-I206 HydrophobicContact CB-CB 4.21Å; A198-I206 HydrophobicContact CB-CG2 3.68Å; D203-I206 HydrophobicContact CB-CB 4.06Å; D203-I206 HydrophobicContact CB-CD1 4.05Å; D203-I206 HydrophobicContact CB-CG1 4.17Å; D203-I206 PolarHBondContact O-N 2.67Å; D203-I206 VanDerWaalsContact O-N 3.07Å; I206-K208 PolarHBondContact O-N 2.75Å; I206-L209 PolarHBondContact O-N 3.26Å; I206-L209 VanDerWaalsContact O-N 3.11Å; I206-L210 HydrophobicContact CG2-CD1 3.71Å; I206-L210 HydrophobicContact CG2-CG 4.19Å; I206-L210 WeakPolarHBondContact O-CB 3.04Å; I206-L210 WeakPolarHBondContact O-CG 3.32Å; I206-L210 PolarHBondContact O-N 2.69Å |
| 207 | V | 94.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -54.9 | -40.9 | 172.8 | 168.7 | 0 | 0 | 0 | 0 | 110.9 | L195 A198 D203 Y204 L210 S211 T239 Y242 L243 | L195-V207 HydrophobicContact CD1-CB 4.33Å; L195-V207 HydrophobicContact CD1-CG1 3.91Å; L195-V207 HydrophobicContact CD1-CG2 4.33Å; A198-V207 HydrophobicContact CB-CG2 3.52Å; D203-V207 PolarHBondContact O-N 2.98Å; Y204-V207 PolarHBondContact O-N 3.45Å; V207-L210 PolarHBondContact O-N 2.83Å; V207-S211 VanDerWaalsContact O-CB 3.24Å; V207-S211 WeakPolarHBondContact O-CB 2.79Å; V207-S211 PolarHBondContact O-N 2.75Å; V207-S211 PolarHBondContact O-OG 3.03Å; V207-T239 HydrophobicContact CB-CG2 4.25Å; V207-T239 HydrophobicContact CG1-CG2 4.18Å; V207-T239 HydrophobicContact CG2-CG2 3.71Å; V207-Y242 HydrophobicContact CG1-CD1 4.06Å; V207-L243 HydrophobicContact CG1-CD2 3.62Å; V207-L243 HydrophobicContact CG1-CG 3.89Å |
| 208 | K | 91.6 | Very high | 90.6 | Very high | 29 Ų | 29 | 36.5 Ų | 36.5 | 13% | 0.126 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.6 | -45.5 | 176.5 | 162.3 | 166.2 | -174.8 | -174 | 0 | 113 | Y204 L205 I206 K212 Y242 E577 | Y204-K208 WeakPolarHBondContact O-CB 3.4Å; Y204-K208 PolarHBondContact O-N 3.27Å; L205-K208 WeakPolarHBondContact O-CB 3.22Å; L205-K208 PolarHBondContact O-N 2.85Å; I206-K208 PolarHBondContact O-N 2.75Å; K208-K212 WeakPolarHBondContact O-CG 3.31Å; K208-K212 PolarHBondContact O-N 2.99Å; K208-Y242 HydrophobicContact CB-CD1 4.21Å; K208-Y242 HydrophobicContact CB-CD2 4.25Å; K208-Y242 HydrophobicContact CB-CE1 3.77Å; K208-Y242 HydrophobicContact CB-CE2 3.77Å; K208-Y242 HydrophobicContact CB-CG 4.46Å; K208-Y242 HydrophobicContact CD-CE2 3.73Å; K208-Y242 HydrophobicContact CG-CE1 4.3Å; K208-Y242 HydrophobicContact CG-CE2 3.78Å; K208-Y242 WeakPolarHBondContact CG-OH 3.3Å; K208-E577 IonicContact NZ-OE1 3.02Å; K208-E577 PolarHBondContact NZ-OE1 3.33Å; K208-E577 IonicContact NZ-OE2 3.17Å; K208-E577 PolarHBondContact NZ-OE2 3.15Å |
| 209 | L | 92 | Very high | 90.4 | Very high | 27 Ų | 27 | 38.8 Ų | 38.8 | 14% | 0.141 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.6 | -47.7 | 177 | -70.5 | 167.7 | 0 | 0 | 0 | 111.3 | E171 V174 R175 L178 L205 I206 K212 | E171-L209 HydrophobicContact CG-CD1 3.65Å; V174-L209 HydrophobicContact CG1-CB 4.42Å; V174-L209 HydrophobicContact CG1-CD1 4.3Å; R175-L209 HydrophobicContact CG-CD1 3.44Å; R175-L209 VanDerWaalsContact CG-CD1 3.44Å; R175-L209 HydrophobicContact CG-CD2 3.8Å; R175-L209 HydrophobicContact CG-CG 4.27Å; L178-L209 HydrophobicContact CD1-CB 3.97Å; L205-L209 WeakPolarHBondContact O-CG 3.3Å; L205-L209 PolarHBondContact O-N 3.44Å; I206-L209 PolarHBondContact O-N 3.26Å; I206-L209 VanDerWaalsContact O-N 3.11Å; L209-K212 PolarHBondContact O-N 2.71Å |
| 210 | L | 94.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.9 | -42.4 | -178.4 | -67.7 | 173.5 | 0 | 0 | 0 | 112.1 | V166 V174 L178 V184 A194 L195 A198 I206 V207 K212 A213 V214 | V166-L210 HydrophobicContact CG2-CD1 4.14Å; V174-L210 HydrophobicContact CG1-CD2 4.34Å; L178-L210 HydrophobicContact CD1-CD2 4.22Å; L178-L210 HydrophobicContact CD2-CD2 4.18Å; V184-L210 HydrophobicContact CG1-CD2 4.02Å; A194-L210 VanDerWaalsContact C-CD1 3.48Å; A194-L210 HydrophobicContact CB-CD1 3.77Å; A194-L210 HydrophobicContact CB-CD2 4Å; A194-L210 WeakPolarHBondContact O-CD1 3.31Å; L195-L210 HydrophobicContact CD1-CB 4.05Å; A198-L210 HydrophobicContact CB-CD1 4.08Å; I206-L210 HydrophobicContact CG2-CD1 3.71Å; I206-L210 HydrophobicContact CG2-CG 4.19Å; I206-L210 WeakPolarHBondContact O-CB 3.04Å; I206-L210 WeakPolarHBondContact O-CG 3.32Å; I206-L210 PolarHBondContact O-N 2.69Å; V207-L210 PolarHBondContact O-N 2.83Å; L210-K212 PolarHBondContact O-N 3.23Å; L210-K212 VanDerWaalsContact O-N 3.15Å; L210-A213 CarbonylContact O-C 3.5Å; L210-A213 WeakPolarHBondContact O-CA 3.49Å; L210-A213 PolarHBondContact O-N 2.92Å; L210-V214 VanDerWaalsContact O-CG2 3.24Å; L210-V214 WeakPolarHBondContact O-CG2 3.46Å; L210-V214 PolarHBondContact O-N 3.21Å |
| 211 | S | 92 | Very high | 90.2 | Very high | 14 Ų | 14 | 41.9 Ų | 41.9 | 10% | 0.098 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.5 | -24.3 | 179.8 | -56.8 | 0 | 0 | 0 | 0 | 113 | V207 | V207-S211 VanDerWaalsContact O-CB 3.24Å; V207-S211 WeakPolarHBondContact O-CB 2.79Å; V207-S211 PolarHBondContact O-N 2.75Å; V207-S211 PolarHBondContact O-OG 3.03Å |
| 212 | K | 87.8 | Confident | 90.1 | Very high | 154 Ų | 154 | 43 Ų | 43 | 67% | 0.67 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -77.5 | -26.1 | 172.9 | -71.4 | -178.7 | 177.7 | -170.3 | 0 | 113.1 | K208 L209 L210 | K208-K212 WeakPolarHBondContact O-CG 3.31Å; K208-K212 PolarHBondContact O-N 2.99Å; L209-K212 PolarHBondContact O-N 2.71Å; L210-K212 PolarHBondContact O-N 3.23Å; L210-K212 VanDerWaalsContact O-N 3.15Å |
| 213 | A | 84.8 | Confident | 90 | Very high | 53 Ų | 53 | 45.2 Ų | 45.2 | 44% | 0.438 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -91.3 | -20 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L178 V184 L210 | L178-A213 HydrophobicContact CD2-CB 3.95Å; V184-A213 HydrophobicContact CG1-CB 3.99Å; L210-A213 CarbonylContact O-C 3.5Å; L210-A213 WeakPolarHBondContact O-CA 3.49Å; L210-A213 PolarHBondContact O-N 2.92Å |
| 214 | V | 80.9 | Confident | 90 | Very high | 23 Ų | 23 | 47 Ų | 47 | 14% | 0.139 | 26% | 0.262 | C | S | . | . | trans | -92.5 | 139 | -179.2 | 176.9 | 0 | 0 | 0 | 0 | 110.6 | V184 L210 N216 I219 | V184-V214 HydrophobicContact CB-CG2 3.86Å; V184-V214 HydrophobicContact CG2-CB 4.45Å; V184-V214 HydrophobicContact CG2-CG2 3.54Å; L210-V214 VanDerWaalsContact O-CG2 3.24Å; L210-V214 WeakPolarHBondContact O-CG2 3.46Å; L210-V214 PolarHBondContact O-N 3.21Å; V214-N216 WeakPolarHBondContact CG1-O 3.37Å; V214-I219 HydrophobicContact CG1-CD1 3.86Å | ||
| 215 | S | 73.4 | Confident | 90.3 | Very high | 134 Ų | 134 | 47.8 Ų | 47.8 | 94% | 0.937 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -82.3 | -28.9 | 178.2 | 57.4 | 0 | 0 | 0 | 0 | 114.5 | ||
| 216 | N | 87.6 | Confident | 90.5 | Very high | 85 Ų | 85 | 46.6 Ų | 46.6 | 46% | 0.455 | 26% | 0.26 | S | S | . | . | trans | -130.9 | 122.6 | 177.3 | 179.5 | 16.4 | 0 | 0 | 0 | 110.4 | V214 D218 I219 | V214-N216 WeakPolarHBondContact CG1-O 3.37Å; N216-D218 PolarHBondContact OD1-N 3.01Å; N216-I219 WeakPolarHBondContact O-CD1 3.42Å; N216-I219 WeakPolarHBondContact O-CG1 3.29Å | ||
| 217 | V | 92.5 | Very high | 90.7 | Very high | 12 Ų | 12 | 46.5 Ų | 46.5 | 7% | 0.073 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -81.8 | -24.2 | -178.2 | -150.4 | 0 | 0 | 0 | 0 | 112 | L195 I219 P227 L243 A246 A248 | L195-V217 HydrophobicContact CD2-CG1 3.74Å; V217-I219 VanDerWaalsContact C-N 3.28Å; V217-I219 PolarHBondContact O-N 3.07Å; V217-I219 VanDerWaalsContact O-N 3.13Å; V217-P227 WeakPolarHBondContact O-CD 3.14Å; V217-L243 HydrophobicContact CG1-CD2 3.72Å; V217-A246 HydrophobicContact CG1-CB 4.42Å; V217-A246 HydrophobicContact CG2-CB 4.2Å; V217-A246 WeakPolarHBondContact CG2-O 3.17Å; V217-A248 HydrophobicContact CB-CB 4.36Å; V217-A248 HydrophobicContact CG1-CB 4.35Å |
| 218 | D | 92.9 | Very high | 90.8 | Very high | 25 Ų | 25 | 46.5 Ų | 46.5 | 13% | 0.134 | 26% | 0.26 | C | S | . | . | trans | -91 | 54.6 | -176.6 | -66.1 | -39.1 | 0 | 0 | 0 | 111.8 | N216 A248 D249 I252 | N216-D218 PolarHBondContact OD1-N 3.01Å; D218-A248 WeakPolarHBondContact OD1-CA 3.26Å; D218-A248 WeakPolarHBondContact OD1-CB 3.29Å; D218-D249 PolarHBondContact OD1-N 3Å; D218-D249 PolarHBondContact OD2-N 3.24Å; D218-I252 HydrophobicContact CB-CD1 3.6Å | ||
| 219 | I | 93.1 | Very high | 91 | Very high | 47 Ų | 47 | 45.1 Ų | 45.1 | 24% | 0.241 | 25% | 0.254 | C | S | . | . | trans | -81.7 | 141.6 | 176 | -53.6 | 170 | 0 | 0 | 0 | 108.4 | T193 H196 V214 N216 V217 T226 P227 | T193-I219 HydrophobicContact CG2-CD1 4.38Å; T193-I219 HydrophobicContact CG2-CG2 4.15Å; H196-I219 PolarHBondContact CE1-O 2.9Å; H196-I219 VanDerWaalsContact CE1-O 3.24Å; H196-I219 PolarHBondContact NE2-O 2.99Å; V214-I219 HydrophobicContact CG1-CD1 3.86Å; N216-I219 WeakPolarHBondContact O-CD1 3.42Å; N216-I219 WeakPolarHBondContact O-CG1 3.29Å; V217-I219 VanDerWaalsContact C-N 3.28Å; V217-I219 PolarHBondContact O-N 3.07Å; V217-I219 VanDerWaalsContact O-N 3.13Å; I219-T226 WeakPolarHBondContact O-CA 3.22Å; I219-P227 WeakPolarHBondContact O-CD 3.41Å | ||
| 220 | F | 93.7 | Very high | 91.2 | Very high | 101 Ų | 101 | 44.3 Ų | 44.3 | 44% | 0.443 | 25% | 0.249 | S | C | . | . | trans | -97.4 | 137.5 | 173.9 | -71.1 | -72.7 | 0 | 0 | 0 | 111.9 | E224 F225 T226 I252 | F220-E224 VanDerWaalsContact CD1-C 3.45Å; F220-E224 HydrophobicContact CD1-CB 4.22Å; F220-E224 WeakPolarHBondContact CD1-O 3.25Å; F220-F225 WeakPolarHBondContact CA-O 3.48Å; F220-T226 HydrophobicContact CD1-CG2 3.79Å; F220-T226 HydrophobicContact CE1-CG2 3.52Å; F220-T226 HydrophobicContact CZ-CG2 4Å; F220-I252 HydrophobicContact CE1-CG2 3.92Å; F220-I252 HydrophobicContact CZ-CG2 3.55Å | ||
| 221 | N | 93.1 | Very high | 91.3 | Very high | 14 Ų | 14 | 44.3 Ų | 44.3 | 8% | 0.075 | 25% | 0.249 | C | C | . | . | trans | -81.8 | -177.1 | 164.7 | 74.9 | -1.7 | 0 | 0 | 0 | 111.8 | G191 N192 S223 E224 F225 | G191-N221 WeakPolarHBondContact O-CA 3.3Å; G191-N221 WeakPolarHBondContact O-CB 3.46Å; N192-N221 WeakPolarHBondContact OD1-CB 3.26Å; N192-N221 PolarHBondContact OD1-ND2 2.8Å; N221-S223 PolarHBondContact O-N 3.06Å; N221-S223 VanDerWaalsContact O-N 3.15Å; N221-S223 WeakPolarHBondContact OD1-CA 3.41Å; N221-S223 WeakPolarHBondContact OD1-CB 3.31Å; N221-S223 PolarHBondContact OD1-N 3.29Å; N221-E224 PolarHBondContact O-N 3.01Å; N221-E224 PolarHBondContact OD1-N 3.48Å; N221-F225 PolarHBondContact N-O 3.17Å; N221-F225 PolarHBondContact OD1-N 3.29Å; N221-F225 PolarHBondContact OD1-O 3.32Å | ||
| 222 | T | 92 | Very high | 91.5 | Very high | 91 Ų | 91 | 43.6 Ų | 43.6 | 56% | 0.558 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -23.8 | -179.7 | 58 | 0 | 0 | 0 | 0 | 114 | E190 E224 | E190-T222 VanDerWaalsContact O-CB 3.31Å; E190-T222 WeakPolarHBondContact O-CB 3.48Å; E190-T222 VanDerWaalsContact O-CG2 3.31Å; E190-T222 WeakPolarHBondContact O-CG2 3.15Å; E190-T222 PolarHBondContact O-N 3.21Å; E190-T222 VanDerWaalsContact O-N 3.12Å; E190-T222 PolarHBondContact O-OG1 2.98Å; T222-E224 VanDerWaalsContact C-N 3.29Å |
| 223 | S | 89.1 | Confident | 91.9 | Very high | 64 Ų | 64 | 40 Ų | 40 | 45% | 0.448 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 7.2 | 176.3 | -62.8 | 0 | 0 | 0 | 0 | 113.1 | N221 F225 | N221-S223 PolarHBondContact O-N 3.06Å; N221-S223 VanDerWaalsContact O-N 3.15Å; N221-S223 WeakPolarHBondContact OD1-CA 3.41Å; N221-S223 WeakPolarHBondContact OD1-CB 3.31Å; N221-S223 PolarHBondContact OD1-N 3.29Å; S223-F225 PolarHBondContact O-N 2.84Å |
| 224 | E | 92.3 | Very high | 92.4 | Very high | 67 Ų | 67 | 41 Ų | 41 | 31% | 0.313 | 22% | 0.224 | S | C | . | . | S | Bend | trans | 56.2 | 36.5 | -176.3 | -59.7 | 174.6 | -161.2 | 0 | 0 | 112.9 | F220 N221 T222 S254 R255 | F220-E224 VanDerWaalsContact CD1-C 3.45Å; F220-E224 HydrophobicContact CD1-CB 4.22Å; F220-E224 WeakPolarHBondContact CD1-O 3.25Å; N221-E224 PolarHBondContact O-N 3.01Å; N221-E224 PolarHBondContact OD1-N 3.48Å; T222-E224 VanDerWaalsContact C-N 3.29Å; E224-S254 WeakPolarHBondContact O-CA 3.34Å; E224-R255 HydrophobicContact CB-CB 4.08Å; E224-R255 VanDerWaalsContact CD-NE 3.33Å; E224-R255 HydrophobicContact CG-CB 4.47Å; E224-R255 IonicContact OE1-CZ 3.6Å; E224-R255 IonicContact OE1-NE 2.65Å; E224-R255 PolarHBondContact OE1-NE 3.09Å; E224-R255 IonicContact OE1-NH2 3.07Å; E224-R255 PolarHBondContact OE1-NH2 3.28Å; E224-R255 VanDerWaalsContact OE2-CA 3.32Å; E224-R255 WeakPolarHBondContact OE2-CA 3.48Å; E224-R255 WeakPolarHBondContact OE2-CB 3.45Å; E224-R255 WeakPolarHBondContact OE2-CG 3.24Å; E224-R255 IonicContact OE2-NE 3.78Å; E224-R255 PolarHBondContact OE2-NE 2.9Å |
| 225 | F | 94.9 | Very high | 93 | Very high | 36 Ų | 36 | 40.9 Ų | 40.9 | 16% | 0.158 | 23% | 0.228 | C | C | . | . | trans | -98.2 | 141.5 | 165.6 | -67.5 | -58.2 | 0 | 0 | 0 | 110.5 | H196 F220 N221 S223 H229 L230 M263 | H196-F225 PolarHBondContact NE2-O 2.78Å; H196-F225 VanDerWaalsContact NE2-O 3.1Å; F220-F225 WeakPolarHBondContact CA-O 3.48Å; N221-F225 PolarHBondContact N-O 3.17Å; N221-F225 PolarHBondContact OD1-N 3.29Å; N221-F225 PolarHBondContact OD1-O 3.32Å; S223-F225 PolarHBondContact O-N 2.84Å; F225-H229 HydrophobicContact CB-CB 4.05Å; F225-H229 HydrophobicContact CD1-CB 3.8Å; F225-H229 AromaticContact CD1-CG 3.99Å; F225-H229 HydrophobicContact CG-CB 4.32Å; F225-L230 HydrophobicContact CB-CD2 3.97Å; F225-L230 HydrophobicContact CB-CG 4.19Å; F225-L230 HydrophobicContact CD2-CD2 4.37Å; F225-L230 HydrophobicContact CG-CD2 4.3Å; F225-M263 HydrophobicContact CD1-CE 4.1Å; F225-M263 HydrophobicContact CE1-CE 3.32Å; F225-M263 HydrophobicContact CE1-SD 4.26Å; F225-M263 HydrophobicContact CZ-CE 3.81Å | ||
| 226 | T | 95.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -87.5 | 164.3 | 168 | 69 | 0 | 0 | 0 | 0 | 111 | I219 F220 L228 H229 L230 I252 | I219-T226 WeakPolarHBondContact O-CA 3.22Å; F220-T226 HydrophobicContact CD1-CG2 3.79Å; F220-T226 HydrophobicContact CE1-CG2 3.52Å; F220-T226 HydrophobicContact CZ-CG2 4Å; T226-L228 PolarHBondContact O-N 2.77Å; T226-L228 VanDerWaalsContact O-N 3.16Å; T226-H229 PolarHBondContact N-ND1 3.02Å; T226-H229 WeakPolarHBondContact O-CB 3.43Å; T226-H229 PolarHBondContact O-N 2.93Å; T226-H229 PolarHBondContact OG1-N 3.14Å; T226-H229 PolarHBondContact OG1-ND1 2.94Å; T226-L230 PolarHBondContact O-N 3.07Å; T226-L230 VanDerWaalsContact O-N 3.17Å; T226-I252 HydrophobicContact CG2-CG2 4.05Å | ||
| 227 | P | 96 | Very high | 94.2 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -54.7 | -34.4 | 173.4 | -26.5 | 35.6 | 0 | 0 | 0 | 112.5 | L195 H196 A199 V217 I219 L230 A231 L243 | L195-P227 HydrophobicContact CB-CG 4.42Å; L195-P227 HydrophobicContact CD2-CB 4.39Å; L195-P227 HydrophobicContact CD2-CG 3.92Å; L195-P227 HydrophobicContact CG-CB 4.05Å; L195-P227 HydrophobicContact CG-CG 3.87Å; H196-P227 WeakPolarHBondContact NE2-CD 3.33Å; A199-P227 HydrophobicContact CB-CB 3.94Å; A199-P227 WeakPolarHBondContact CB-O 3.49Å; V217-P227 WeakPolarHBondContact O-CD 3.14Å; I219-P227 WeakPolarHBondContact O-CD 3.41Å; P227-L230 PolarHBondContact O-N 3.27Å; P227-A231 WeakPolarHBondContact O-CB 3.22Å; P227-A231 PolarHBondContact O-N 3.29Å; P227-L243 HydrophobicContact CB-CD1 4.2Å; P227-L243 HydrophobicContact CB-CD2 4.25Å |
| 228 | L | 96.4 | Very high | 94.1 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.2 | -40.2 | 177 | -172.9 | 61.5 | 0 | 0 | 0 | 112.4 | T226 L230 A232 V240 L243 I244 A248 P250 P260 L276 | T226-L228 PolarHBondContact O-N 2.77Å; T226-L228 VanDerWaalsContact O-N 3.16Å; L228-L230 VanDerWaalsContact C-N 3.34Å; L228-L230 PolarHBondContact O-N 3.41Å; L228-A232 VanDerWaalsContact O-CB 3.23Å; L228-A232 WeakPolarHBondContact O-CB 3.46Å; L228-A232 PolarHBondContact O-N 3.2Å; L228-V240 HydrophobicContact CD1-CB 4.33Å; L228-V240 HydrophobicContact CD1-CG1 3.93Å; L228-V240 HydrophobicContact CD1-CG2 4.31Å; L228-L243 HydrophobicContact CB-CD1 4.46Å; L228-L243 HydrophobicContact CD1-CB 4.07Å; L228-L243 HydrophobicContact CD1-CD1 4.32Å; L228-I244 HydrophobicContact CD1-CG1 4.13Å; L228-I244 HydrophobicContact CD2-CG1 4.31Å; L228-A248 HydrophobicContact CB-CB 4.41Å; L228-A248 HydrophobicContact CD2-CB 4.16Å; L228-P250 HydrophobicContact CD2-CB 4.17Å; L228-P260 HydrophobicContact CD2-CG 4.21Å; L228-P260 HydrophobicContact CG-CB 4.24Å; L228-P260 HydrophobicContact CG-CG 4.17Å; L228-L276 HydrophobicContact CD1-CD2 4.28Å; L228-L276 HydrophobicContact CD2-CD2 4.32Å; L228-L276 HydrophobicContact CG-CD2 4.48Å |
| 229 | H | 96 | Very high | 94.1 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.3 | -45.3 | 173 | -74.2 | 87.4 | 0 | 0 | 0 | 111.3 | F225 T226 A232 K233 I252 S254 I258 M263 | F225-H229 HydrophobicContact CB-CB 4.05Å; F225-H229 HydrophobicContact CD1-CB 3.8Å; F225-H229 AromaticContact CD1-CG 3.99Å; F225-H229 HydrophobicContact CG-CB 4.32Å; T226-H229 PolarHBondContact N-ND1 3.02Å; T226-H229 WeakPolarHBondContact O-CB 3.43Å; T226-H229 PolarHBondContact O-N 2.93Å; T226-H229 PolarHBondContact OG1-N 3.14Å; T226-H229 PolarHBondContact OG1-ND1 2.94Å; H229-A232 PolarHBondContact O-N 3.47Å; H229-K233 WeakPolarHBondContact O-CB 3.44Å; H229-K233 PolarHBondContact O-N 2.89Å; H229-I252 PolarHBondContact CE1-O 2.88Å; H229-I252 PolarHBondContact NE2-O 3.05Å; H229-S254 PolarHBondContact NE2-N 3.46Å; H229-I258 PolarHBondContact NE2-O 3.32Å; H229-I258 VanDerWaalsContact NE2-O 3.09Å; H229-M263 HydrophobicContact CB-SD 4.35Å |
| 230 | L | 96.4 | Very high | 94.2 | Very high | 9 Ų | 9 | 36.4 Ų | 36.4 | 5% | 0.047 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.7 | -41.2 | -178.3 | -61.8 | 179.9 | 0 | 0 | 0 | 112.1 | H196 I200 F225 T226 P227 L228 A232 K233 H234 | H196-L230 HydrophobicContact CB-CD1 3.88Å; I200-L230 HydrophobicContact CD1-CD1 3.9Å; I200-L230 HydrophobicContact CG1-CB 3.95Å; I200-L230 HydrophobicContact CG1-CD1 3.76Å; I200-L230 HydrophobicContact CG1-CG 4.31Å; F225-L230 HydrophobicContact CB-CD2 3.97Å; F225-L230 HydrophobicContact CB-CG 4.19Å; F225-L230 HydrophobicContact CD2-CD2 4.37Å; F225-L230 HydrophobicContact CG-CD2 4.3Å; T226-L230 PolarHBondContact O-N 3.07Å; T226-L230 VanDerWaalsContact O-N 3.17Å; P227-L230 PolarHBondContact O-N 3.27Å; L228-L230 VanDerWaalsContact C-N 3.34Å; L228-L230 PolarHBondContact O-N 3.41Å; L230-A232 VanDerWaalsContact C-N 3.32Å; L230-A232 PolarHBondContact O-N 3.42Å; L230-K233 PolarHBondContact O-N 2.86Å; L230-H234 PolarHBondContact O-N 3.03Å; L230-H234 PolarHBondContact O-ND1 3.11Å |
| 231 | A | 96.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.5 | -39 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A199 P227 G235 H236 T239 V240 L243 | A199-A231 HydrophobicContact CB-CB 4.23Å; P227-A231 WeakPolarHBondContact O-CB 3.22Å; P227-A231 PolarHBondContact O-N 3.29Å; A231-G235 PolarHBondContact O-N 3.26Å; A231-G235 VanDerWaalsContact O-N 3.12Å; A231-H236 PolarHBondContact O-N 3.01Å; A231-T239 HydrophobicContact CB-CG2 3.99Å; A231-V240 HydrophobicContact CB-CG2 3.71Å; A231-L243 HydrophobicContact CB-CD1 3.96Å |
| 232 | A | 96.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68 | -41.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L228 H229 L230 H234 G235 V240 P260 A264 V272 L276 | L228-A232 VanDerWaalsContact O-CB 3.23Å; L228-A232 WeakPolarHBondContact O-CB 3.46Å; L228-A232 PolarHBondContact O-N 3.2Å; H229-A232 PolarHBondContact O-N 3.47Å; L230-A232 VanDerWaalsContact C-N 3.32Å; L230-A232 PolarHBondContact O-N 3.42Å; A232-H234 VanDerWaalsContact C-N 3.27Å; A232-H234 PolarHBondContact O-N 3.27Å; A232-G235 PolarHBondContact O-N 3.43Å; A232-V240 HydrophobicContact CB-CG2 4.49Å; A232-P260 HydrophobicContact CB-CB 3.97Å; A232-P260 WeakPolarHBondContact CB-O 3.48Å; A232-A264 HydrophobicContact CB-CB 4.23Å; A232-V272 HydrophobicContact CB-CG1 4.24Å; A232-L276 HydrophobicContact CB-CD1 3.87Å |
| 233 | K | 95.6 | Very high | 94.1 | Very high | 78 Ų | 78 | 29.6 Ų | 29.6 | 34% | 0.339 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -57.6 | -37.9 | 176.3 | -170.5 | -177.1 | 172.7 | -173.5 | 0 | 112.9 | H229 L230 M263 Q267 H269 | H229-K233 WeakPolarHBondContact O-CB 3.44Å; H229-K233 PolarHBondContact O-N 2.89Å; L230-K233 PolarHBondContact O-N 2.86Å; K233-M263 HydrophobicContact CB-CG 3.87Å; K233-M263 HydrophobicContact CB-SD 3.67Å; K233-M263 HydrophobicContact CD-SD 4.18Å; K233-M263 HydrophobicContact CG-CG 4.15Å; K233-M263 HydrophobicContact CG-SD 4Å; K233-Q267 HydrophobicContact CG-CG 4.06Å; K233-Q267 WeakPolarHBondContact O-CB 3.39Å; K233-Q267 WeakPolarHBondContact O-CG 3.37Å; K233-H269 PolarHBondContact O-CD2 3.37Å; K233-H269 PolarHBondContact O-NE2 2.94Å |
| 234 | H | 95.3 | Very high | 94.3 | Very high | 75 Ų | 75 | 26.7 Ų | 26.7 | 35% | 0.347 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 1.5 | -177.9 | -60.3 | 90.1 | 0 | 0 | 0 | 113.5 | L230 A232 H236 H269 | L230-H234 PolarHBondContact O-N 3.03Å; L230-H234 PolarHBondContact O-ND1 3.11Å; A232-H234 VanDerWaalsContact C-N 3.27Å; A232-H234 PolarHBondContact O-N 3.27Å; H234-H236 WeakPolarHBondContact CB-NE2 3.47Å; H234-H269 VanDerWaalsContact C-NE2 3.28Å |
| 235 | G | 94.6 | Very high | 94.2 | Very high | 20 Ų | 20 | 25.2 Ų | 25.2 | 21% | 0.206 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 18.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | A231 A232 L237 H269 | A231-G235 PolarHBondContact O-N 3.26Å; A231-G235 VanDerWaalsContact O-N 3.12Å; A232-G235 PolarHBondContact O-N 3.43Å; G235-L237 PolarHBondContact O-N 2.65Å; G235-H269 WeakPolarHBondContact CA-CD2 3.44Å; G235-H269 PolarHBondContact N-CD2 3.28Å; G235-H269 PolarHBondContact N-NE2 3.39Å |
| 236 | H | 94.8 | Very high | 93.9 | Very high | 51 Ų | 51 | 25.2 Ų | 25.2 | 24% | 0.236 | 12% | 0.124 | C | C | . | . | trans | -80 | 79.6 | -173.9 | -62.9 | -48.1 | 0 | 0 | 0 | 112.5 | A199 I200 Q201 G202 A231 H234 R238 T239 V240 | A199-H236 PolarHBondContact O-CD2 3.42Å; A199-H236 VanDerWaalsContact O-CD2 3.3Å; I200-H236 PolarHBondContact O-CD2 3.03Å; I200-H236 PolarHBondContact O-NE2 3.05Å; Q201-H236 PolarHBondContact O-NE2 3.45Å; G202-H236 WeakPolarHBondContact CA-CD2 3.35Å; G202-H236 PolarHBondContact N-CD2 3.36Å; G202-H236 PolarHBondContact N-NE2 3.3Å; A231-H236 PolarHBondContact O-N 3.01Å; H234-H236 WeakPolarHBondContact CB-NE2 3.47Å; H236-R238 PolarHBondContact O-N 3.45Å; H236-T239 PolarHBondContact O-N 3.04Å; H236-T239 VanDerWaalsContact O-N 3.14Å; H236-V240 WeakPolarHBondContact O-CG2 3.34Å; H236-V240 PolarHBondContact O-N 2.88Å | ||
| 237 | L | 91.6 | Very high | 93.6 | Very high | 49 Ų | 49 | 27.6 Ų | 27.6 | 26% | 0.257 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -54.3 | -45.2 | -173.4 | -177.2 | 66.3 | 0 | 0 | 0 | 114.3 | G235 V240 R241 V272 L275 | G235-L237 PolarHBondContact O-N 2.65Å; L237-V240 PolarHBondContact O-N 3.4Å; L237-R241 PolarHBondContact O-N 3.28Å; L237-V272 HydrophobicContact CB-CG2 3.98Å; L237-V272 HydrophobicContact CD1-CG2 4.01Å; L237-L275 HydrophobicContact CD1-CB 4.28Å; L237-L275 HydrophobicContact CD1-CD2 3.74Å |
| 238 | R | 89.7 | Confident | 93.4 | Very high | 107 Ų | 107 | 27.9 Ų | 27.9 | 40% | 0.404 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -63.6 | -43.2 | 179 | -80.7 | -176.2 | 163.7 | 141.2 | -4 | 111.6 | Y204 H236 R241 Y242 D576 | Y204-R238 HydrophobicContact CD1-CB 4.05Å; Y204-R238 HydrophobicContact CG-CB 4.36Å; H236-R238 PolarHBondContact O-N 3.45Å; R238-R241 PolarHBondContact O-N 2.97Å; R238-Y242 PolarHBondContact O-N 3.23Å; R238-D576 IonicContact CZ-OD2 3.14Å; R238-D576 VanDerWaalsContact CZ-OD2 3.29Å; R238-D576 IonicContact NE-OD2 2.89Å; R238-D576 PolarHBondContact NE-OD2 2.8Å; R238-D576 VanDerWaalsContact NE-OD2 3.1Å; R238-D576 IonicContact NH2-OD2 2.75Å; R238-D576 PolarHBondContact NH2-OD2 3.31Å |
| 239 | T | 93.1 | Very high | 93.1 | Very high | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.012 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.6 | -43.2 | 178.8 | -53.3 | 0 | 0 | 0 | 0 | 111.5 | A199 G202 V207 A231 H236 R241 Y242 L243 | A199-T239 HydrophobicContact CB-CG2 4.5Å; G202-T239 PolarHBondContact O-OG1 3.19Å; G202-T239 VanDerWaalsContact O-OG1 3.08Å; V207-T239 HydrophobicContact CB-CG2 4.25Å; V207-T239 HydrophobicContact CG1-CG2 4.18Å; V207-T239 HydrophobicContact CG2-CG2 3.71Å; A231-T239 HydrophobicContact CB-CG2 3.99Å; H236-T239 PolarHBondContact O-N 3.04Å; H236-T239 VanDerWaalsContact O-N 3.14Å; T239-R241 PolarHBondContact O-N 3.41Å; T239-Y242 PolarHBondContact O-N 3.44Å; T239-L243 HydrophobicContact CG2-CD1 4.06Å; T239-L243 HydrophobicContact CG2-CG 4.43Å; T239-L243 WeakPolarHBondContact O-CB 3.49Å; T239-L243 WeakPolarHBondContact O-CG 3.48Å; T239-L243 PolarHBondContact O-N 2.91Å |
| 240 | V | 94.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.3 | -48.6 | 173.8 | 169 | 0 | 0 | 0 | 0 | 111.2 | L228 A231 A232 H236 L237 Y242 L243 I244 V272 L275 L276 | L228-V240 HydrophobicContact CD1-CB 4.33Å; L228-V240 HydrophobicContact CD1-CG1 3.93Å; L228-V240 HydrophobicContact CD1-CG2 4.31Å; A231-V240 HydrophobicContact CB-CG2 3.71Å; A232-V240 HydrophobicContact CB-CG2 4.49Å; H236-V240 WeakPolarHBondContact O-CG2 3.34Å; H236-V240 PolarHBondContact O-N 2.88Å; L237-V240 PolarHBondContact O-N 3.4Å; V240-Y242 VanDerWaalsContact C-N 3.33Å; V240-Y242 PolarHBondContact O-N 3.18Å; V240-L243 PolarHBondContact O-N 3.2Å; V240-I244 HydrophobicContact CG1-CD1 3.95Å; V240-I244 VanDerWaalsContact O-CG1 3.31Å; V240-I244 WeakPolarHBondContact O-CG1 3.13Å; V240-I244 PolarHBondContact O-N 3.01Å; V240-I244 VanDerWaalsContact O-N 3.12Å; V240-V272 HydrophobicContact CB-CG1 4.41Å; V240-V272 HydrophobicContact CG1-CG1 4.25Å; V240-V272 HydrophobicContact CG2-CG1 3.85Å; V240-L275 HydrophobicContact CG1-CD2 4.06Å; V240-L276 HydrophobicContact CG1-CD1 4.27Å; V240-L276 HydrophobicContact CG1-CD2 3.82Å; V240-L276 HydrophobicContact CG1-CG 3.97Å |
| 241 | R | 92.3 | Very high | 92.6 | Very high | 37 Ų | 37 | 34 Ų | 34 | 14% | 0.14 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -55.3 | -48.8 | 175.4 | -82.8 | -179.3 | 162.6 | 146 | -3.6 | 112.2 | L237 R238 T239 I244 L245 L275 H567 P572 | L237-R241 PolarHBondContact O-N 3.28Å; R238-R241 PolarHBondContact O-N 2.97Å; T239-R241 PolarHBondContact O-N 3.41Å; R241-I244 PolarHBondContact O-N 2.95Å; R241-L245 WeakPolarHBondContact O-CB 3.44Å; R241-L245 PolarHBondContact O-N 3.42Å; R241-L275 HydrophobicContact CG-CD2 3.5Å; R241-L275 VanDerWaalsContact CG-CD2 3.5Å; R241-H567 PolarHBondContact NH1-CE1 2.81Å; R241-H567 PolarHBondContact NH1-ND1 3.42Å; R241-H567 PolarHBondContact NH2-ND1 2.95Å; R241-P572 PolarHBondContact NE-O 3.13Å; R241-P572 PolarHBondContact NH2-O 3.23Å |
| 242 | Y | 91.7 | Very high | 92.4 | Very high | 26 Ų | 26 | 35.6 Ų | 35.6 | 10% | 0.102 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.9 | -40 | -176.9 | -170.2 | -81.5 | 0 | 0 | 0 | 112 | V207 K208 R238 T239 V240 I244 L245 A246 T575 | V207-Y242 HydrophobicContact CG1-CD1 4.06Å; K208-Y242 HydrophobicContact CB-CD1 4.21Å; K208-Y242 HydrophobicContact CB-CD2 4.25Å; K208-Y242 HydrophobicContact CB-CE1 3.77Å; K208-Y242 HydrophobicContact CB-CE2 3.77Å; K208-Y242 HydrophobicContact CB-CG 4.46Å; K208-Y242 HydrophobicContact CD-CE2 3.73Å; K208-Y242 HydrophobicContact CG-CE1 4.3Å; K208-Y242 HydrophobicContact CG-CE2 3.78Å; K208-Y242 WeakPolarHBondContact CG-OH 3.3Å; R238-Y242 PolarHBondContact O-N 3.23Å; T239-Y242 PolarHBondContact O-N 3.44Å; V240-Y242 VanDerWaalsContact C-N 3.33Å; V240-Y242 PolarHBondContact O-N 3.18Å; Y242-I244 VanDerWaalsContact C-N 3.34Å; Y242-I244 PolarHBondContact O-N 2.8Å; Y242-L245 HydrophobicContact CD2-CD2 4.41Å; Y242-L245 HydrophobicContact CE2-CD2 4.45Å; Y242-L245 CarbonylContact O-C 3.55Å; Y242-L245 WeakPolarHBondContact O-CB 3.36Å; Y242-L245 PolarHBondContact O-N 3.23Å; Y242-A246 HydrophobicContact CD1-CB 4.48Å; Y242-A246 HydrophobicContact CE1-CB 4.13Å; Y242-A246 WeakPolarHBondContact O-CB 3.34Å; Y242-A246 PolarHBondContact O-N 3.38Å; Y242-T575 HydrophobicContact CD2-CG2 4.23Å |
| 243 | L | 93.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.5 | -43.6 | 176.9 | -76 | 170.2 | 0 | 0 | 0 | 111.7 | L195 A199 V207 V217 P227 L228 A231 T239 V240 L245 A246 G247 A248 | L195-L243 HydrophobicContact CD1-CD2 4.22Å; A199-L243 HydrophobicContact CB-CD1 4.38Å; V207-L243 HydrophobicContact CG1-CD2 3.62Å; V207-L243 HydrophobicContact CG1-CG 3.89Å; V217-L243 HydrophobicContact CG1-CD2 3.72Å; P227-L243 HydrophobicContact CB-CD1 4.2Å; P227-L243 HydrophobicContact CB-CD2 4.25Å; L228-L243 HydrophobicContact CB-CD1 4.46Å; L228-L243 HydrophobicContact CD1-CB 4.07Å; L228-L243 HydrophobicContact CD1-CD1 4.32Å; A231-L243 HydrophobicContact CB-CD1 3.96Å; T239-L243 HydrophobicContact CG2-CD1 4.06Å; T239-L243 HydrophobicContact CG2-CG 4.43Å; T239-L243 WeakPolarHBondContact O-CB 3.49Å; T239-L243 WeakPolarHBondContact O-CG 3.48Å; T239-L243 PolarHBondContact O-N 2.91Å; V240-L243 PolarHBondContact O-N 3.2Å; L243-L245 VanDerWaalsContact C-N 3.34Å; L243-L245 PolarHBondContact O-N 3.27Å; L243-A246 CarbonylContact O-C 3.42Å; L243-A246 WeakPolarHBondContact O-CB 3.5Å; L243-A246 PolarHBondContact O-N 2.87Å; L243-A246 VanDerWaalsContact O-N 3.16Å; L243-G247 PolarHBondContact O-N 3.28Å; L243-A248 HydrophobicContact CB-CB 4.19Å; L243-A248 WeakPolarHBondContact O-CB 3.31Å; L243-A248 PolarHBondContact O-N 2.83Å |
| 244 | I | 92.6 | Very high | 91.9 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.5 | -42.5 | 175.1 | -60.8 | 164.3 | 0 | 0 | 0 | 110.4 | L228 V240 R241 Y242 A246 G247 L276 M279 L573 | L228-I244 HydrophobicContact CD1-CG1 4.13Å; L228-I244 HydrophobicContact CD2-CG1 4.31Å; V240-I244 HydrophobicContact CG1-CD1 3.95Å; V240-I244 VanDerWaalsContact O-CG1 3.31Å; V240-I244 WeakPolarHBondContact O-CG1 3.13Å; V240-I244 PolarHBondContact O-N 3.01Å; V240-I244 VanDerWaalsContact O-N 3.12Å; R241-I244 PolarHBondContact O-N 2.95Å; Y242-I244 VanDerWaalsContact C-N 3.34Å; Y242-I244 PolarHBondContact O-N 2.8Å; I244-A246 PolarHBondContact O-N 3.06Å; I244-G247 WeakPolarHBondContact O-CA 3.4Å; I244-G247 PolarHBondContact O-N 3.09Å; I244-L276 HydrophobicContact CD1-CD2 3.82Å; I244-M279 HydrophobicContact CD1-CG 4.04Å; I244-M279 HydrophobicContact CG2-SD 4.37Å; I244-L573 HydrophobicContact CB-CD2 3.9Å; I244-L573 HydrophobicContact CD1-CD2 4.33Å; I244-L573 HydrophobicContact CG2-CD1 3.96Å; I244-L573 HydrophobicContact CG2-CD2 3.7Å |
| 245 | L | 89.4 | Confident | 91.4 | Very high | 36 Ų | 36 | 39.9 Ų | 39.9 | 19% | 0.188 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.8 | -34.9 | 174.9 | -178.8 | 68.6 | 0 | 0 | 0 | 112.3 | R241 Y242 L243 G247 I288 L291 T575 | R241-L245 WeakPolarHBondContact O-CB 3.44Å; R241-L245 PolarHBondContact O-N 3.42Å; Y242-L245 HydrophobicContact CD2-CD2 4.41Å; Y242-L245 HydrophobicContact CE2-CD2 4.45Å; Y242-L245 CarbonylContact O-C 3.55Å; Y242-L245 WeakPolarHBondContact O-CB 3.36Å; Y242-L245 PolarHBondContact O-N 3.23Å; L243-L245 VanDerWaalsContact C-N 3.34Å; L243-L245 PolarHBondContact O-N 3.27Å; L245-G247 PolarHBondContact O-N 2.82Å; L245-I288 HydrophobicContact CD1-CG1 4.39Å; L245-L291 HydrophobicContact CD1-CD1 3.54Å; L245-T575 HydrophobicContact CD2-CG2 3.63Å |
| 246 | A | 89.3 | Confident | 91 | Very high | 37 Ų | 37 | 44.9 Ų | 44.9 | 31% | 0.306 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -6.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | V217 Y242 L243 I244 | V217-A246 HydrophobicContact CG1-CB 4.42Å; V217-A246 HydrophobicContact CG2-CB 4.2Å; V217-A246 WeakPolarHBondContact CG2-O 3.17Å; Y242-A246 HydrophobicContact CD1-CB 4.48Å; Y242-A246 HydrophobicContact CE1-CB 4.13Å; Y242-A246 WeakPolarHBondContact O-CB 3.34Å; Y242-A246 PolarHBondContact O-N 3.38Å; L243-A246 CarbonylContact O-C 3.42Å; L243-A246 WeakPolarHBondContact O-CB 3.5Å; L243-A246 PolarHBondContact O-N 2.87Å; L243-A246 VanDerWaalsContact O-N 3.16Å; I244-A246 PolarHBondContact O-N 3.06Å |
| 247 | G | 88.9 | Confident | 90.8 | Very high | 50 Ų | 50 | 45 Ų | 45 | 52% | 0.515 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 105.3 | 11.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | L243 I244 L245 | L243-G247 PolarHBondContact O-N 3.28Å; I244-G247 WeakPolarHBondContact O-CA 3.4Å; I244-G247 PolarHBondContact O-N 3.09Å; L245-G247 PolarHBondContact O-N 2.82Å |
| 248 | A | 91.7 | Very high | 90.8 | Very high | 5 Ų | 5 | 45.2 Ų | 45.2 | 4% | 0.041 | 26% | 0.255 | C | S | . | . | trans | -65.1 | 132.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V217 D218 L228 L243 P250 | V217-A248 HydrophobicContact CB-CB 4.36Å; V217-A248 HydrophobicContact CG1-CB 4.35Å; D218-A248 WeakPolarHBondContact OD1-CA 3.26Å; D218-A248 WeakPolarHBondContact OD1-CB 3.29Å; L228-A248 HydrophobicContact CB-CB 4.41Å; L228-A248 HydrophobicContact CD2-CB 4.16Å; L243-A248 HydrophobicContact CB-CB 4.19Å; L243-A248 WeakPolarHBondContact O-CB 3.31Å; L243-A248 PolarHBondContact O-N 2.83Å; A248-P250 WeakPolarHBondContact O-CD 3.39Å | ||
| 249 | D | 91.1 | Very high | 91 | Very high | 57 Ų | 57 | 41.5 Ų | 41.5 | 31% | 0.305 | 24% | 0.244 | S | C | . | . | trans | -83.6 | 113.8 | 179.9 | -177.3 | -3.4 | 0 | 0 | 0 | 111.4 | D218 S251 I252 | D218-D249 PolarHBondContact OD1-N 3Å; D218-D249 PolarHBondContact OD2-N 3.24Å; D249-S251 PolarHBondContact O-N 3.26Å; D249-S251 WeakPolarHBondContact OD1-CB 3.26Å; D249-S251 PolarHBondContact OD1-N 3.25Å; D249-S251 PolarHBondContact OD1-OG 2.72Å; D249-S251 PolarHBondContact OD2-OG 3.16Å; D249-S251 VanDerWaalsContact OD2-OG 3.07Å; D249-I252 HydrophobicContact CB-CD1 3.83Å; D249-I252 HydrophobicContact CB-CG1 3.9Å; D249-I252 PolarHBondContact O-N 2.92Å | ||
| 250 | P | 91.7 | Very high | 91 | Very high | 15 Ų | 15 | 41.4 Ų | 41.4 | 10% | 0.097 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -9.2 | 179.8 | 31.4 | -36.3 | 0 | 0 | 0 | 113.8 | L228 A248 P260 L276 M279 | L228-P250 HydrophobicContact CD2-CB 4.17Å; A248-P250 WeakPolarHBondContact O-CD 3.39Å; P250-P260 WeakPolarHBondContact O-CD 3.04Å; P250-L276 HydrophobicContact CB-CD2 4.06Å; P250-M279 HydrophobicContact CB-CB 4.4Å; P250-M279 HydrophobicContact CG-CB 4.02Å; P250-M279 VanDerWaalsContact CG-O 3.25Å; P250-M279 WeakPolarHBondContact CG-O 3.25Å |
| 251 | S | 90.5 | Very high | 91.1 | Very high | 67 Ų | 67 | 43.2 Ų | 43.2 | 47% | 0.469 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -9.5 | -179.4 | 74.2 | 0 | 0 | 0 | 0 | 114.3 | D249 T253 | D249-S251 PolarHBondContact O-N 3.26Å; D249-S251 WeakPolarHBondContact OD1-CB 3.26Å; D249-S251 PolarHBondContact OD1-N 3.25Å; D249-S251 PolarHBondContact OD1-OG 2.72Å; D249-S251 PolarHBondContact OD2-OG 3.16Å; D249-S251 VanDerWaalsContact OD2-OG 3.07Å; S251-T253 PolarHBondContact O-N 3.21Å |
| 252 | I | 91.2 | Very high | 91.2 | Very high | 34 Ų | 34 | 45 Ų | 45 | 17% | 0.174 | 27% | 0.268 | C | S | . | . | trans | -62.8 | 133.3 | 179.3 | -65.8 | 174.5 | 0 | 0 | 0 | 109.9 | D218 F220 T226 H229 D249 P260 | D218-I252 HydrophobicContact CB-CD1 3.6Å; F220-I252 HydrophobicContact CE1-CG2 3.92Å; F220-I252 HydrophobicContact CZ-CG2 3.55Å; T226-I252 HydrophobicContact CG2-CG2 4.05Å; H229-I252 PolarHBondContact CE1-O 2.88Å; H229-I252 PolarHBondContact NE2-O 3.05Å; D249-I252 HydrophobicContact CB-CD1 3.83Å; D249-I252 HydrophobicContact CB-CG1 3.9Å; D249-I252 PolarHBondContact O-N 2.92Å; I252-P260 WeakPolarHBondContact O-CD 3.4Å | ||
| 253 | T | 92.2 | Very high | 91.3 | Very high | 72 Ų | 72 | 44.6 Ų | 44.6 | 44% | 0.442 | 27% | 0.267 | S | S | . | . | trans | -99.7 | 141.4 | 173.9 | 55.6 | 0 | 0 | 0 | 0 | 111.4 | S251 T259 | S251-T253 PolarHBondContact O-N 3.21Å; T253-T259 HydrophobicContact CG2-CG2 3.59Å | ||
| 254 | S | 89.3 | Confident | 91.4 | Very high | 5 Ų | 5 | 44.6 Ų | 44.6 | 4% | 0.035 | 27% | 0.267 | C | S | . | . | trans | -66 | 176.5 | 164.8 | 64.1 | 0 | 0 | 0 | 0 | 112.9 | E224 H229 N256 G257 I258 | E224-S254 WeakPolarHBondContact O-CA 3.34Å; H229-S254 PolarHBondContact NE2-N 3.46Å; S254-N256 PolarHBondContact O-N 3.31Å; S254-G257 PolarHBondContact O-N 2.93Å; S254-I258 PolarHBondContact N-O 3.26Å; S254-I258 PolarHBondContact OG-N 2.62Å; S254-I258 PolarHBondContact OG-O 3.44Å; S254-I258 VanDerWaalsContact OG-O 3.08Å | ||
| 255 | R | 85.6 | Confident | 91.6 | Very high | 166 Ų | 166 | 49.3 Ų | 49.3 | 63% | 0.626 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.3 | -37.2 | 176.4 | -173.5 | 170.9 | -95.2 | -176 | -5.1 | 114.3 | E224 G257 | E224-R255 HydrophobicContact CB-CB 4.08Å; E224-R255 VanDerWaalsContact CD-NE 3.33Å; E224-R255 HydrophobicContact CG-CB 4.47Å; E224-R255 IonicContact OE1-CZ 3.6Å; E224-R255 IonicContact OE1-NE 2.65Å; E224-R255 PolarHBondContact OE1-NE 3.09Å; E224-R255 IonicContact OE1-NH2 3.07Å; E224-R255 PolarHBondContact OE1-NH2 3.28Å; E224-R255 VanDerWaalsContact OE2-CA 3.32Å; E224-R255 WeakPolarHBondContact OE2-CA 3.48Å; E224-R255 WeakPolarHBondContact OE2-CB 3.45Å; E224-R255 WeakPolarHBondContact OE2-CG 3.24Å; E224-R255 IonicContact OE2-NE 3.78Å; E224-R255 PolarHBondContact OE2-NE 2.9Å; R255-G257 VanDerWaalsContact C-N 3.28Å; R255-G257 PolarHBondContact O-N 2.85Å |
| 256 | N | 85.9 | Confident | 91.9 | Very high | 125 Ų | 125 | 51.4 Ų | 51.4 | 67% | 0.668 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | 9.8 | -176.2 | -64.9 | -14.6 | 0 | 0 | 0 | 113.2 | S254 I258 | S254-N256 PolarHBondContact O-N 3.31Å; N256-I258 HydrophobicContact CB-CD1 3.97Å; N256-I258 HydrophobicContact CB-CG1 4.07Å; N256-I258 PolarHBondContact O-N 2.64Å |
| 257 | G | 89.8 | Confident | 92.2 | Very high | 52 Ų | 52 | 54.7 Ų | 54.7 | 54% | 0.536 | 32% | 0.317 | S | S | . | . | S | Bend | trans | 72.9 | 15.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | S254 R255 | S254-G257 PolarHBondContact O-N 2.93Å; R255-G257 VanDerWaalsContact C-N 3.28Å; R255-G257 PolarHBondContact O-N 2.85Å |
| 258 | I | 92.3 | Very high | 92.4 | Very high | 54 Ų | 54 | 55 Ų | 55 | 28% | 0.277 | 32% | 0.32 | S | S | . | . | trans | -90.3 | 124.5 | -178.8 | -56.6 | 170.9 | 0 | 0 | 0 | 108.7 | H229 S254 N256 V262 M263 | H229-I258 PolarHBondContact NE2-O 3.32Å; H229-I258 VanDerWaalsContact NE2-O 3.09Å; S254-I258 PolarHBondContact N-O 3.26Å; S254-I258 PolarHBondContact OG-N 2.62Å; S254-I258 PolarHBondContact OG-O 3.44Å; S254-I258 VanDerWaalsContact OG-O 3.08Å; N256-I258 HydrophobicContact CB-CD1 3.97Å; N256-I258 HydrophobicContact CB-CG1 4.07Å; N256-I258 PolarHBondContact O-N 2.64Å; I258-V262 HydrophobicContact CG2-CB 4.17Å; I258-V262 HydrophobicContact CG2-CG1 4.12Å; I258-M263 HydrophobicContact CG2-CB 4.07Å; I258-M263 HydrophobicContact CG2-CE 4.14Å | ||
| 259 | T | 93.6 | Very high | 92.6 | Very high | 29 Ų | 29 | 57.8 Ų | 57.8 | 18% | 0.178 | 33% | 0.332 | C | S | . | . | trans | -84.3 | 160.3 | 171.3 | 48.4 | 0 | 0 | 0 | 0 | 111.9 | T253 D261 V262 M263 | T253-T259 HydrophobicContact CG2-CG2 3.59Å; T259-D261 VanDerWaalsContact C-N 3.32Å; T259-D261 WeakPolarHBondContact CB-OD1 3.35Å; T259-D261 PolarHBondContact O-N 3.11Å; T259-D261 PolarHBondContact OG1-OD1 3.42Å; T259-V262 PolarHBondContact O-N 3.2Å; T259-V262 WeakPolarHBondContact OG1-CG2 3.44Å; T259-M263 PolarHBondContact O-N 3.48Å | ||
| 260 | P | 94.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.3 | -35.3 | -177.7 | -24.7 | 33.5 | 0 | 0 | 0 | 114.4 | L228 A232 P250 I252 M263 A264 L276 | L228-P260 HydrophobicContact CD2-CG 4.21Å; L228-P260 HydrophobicContact CG-CB 4.24Å; L228-P260 HydrophobicContact CG-CG 4.17Å; A232-P260 HydrophobicContact CB-CB 3.97Å; A232-P260 WeakPolarHBondContact CB-O 3.48Å; P250-P260 WeakPolarHBondContact O-CD 3.04Å; I252-P260 WeakPolarHBondContact O-CD 3.4Å; P260-M263 PolarHBondContact O-N 2.71Å; P260-A264 PolarHBondContact O-N 2.91Å; P260-L276 HydrophobicContact CB-CD1 3.94Å; P260-L276 HydrophobicContact CB-CD2 4.45Å |
| 261 | D | 95.1 | Very high | 92.7 | Very high | 38 Ų | 38 | 64.3 Ų | 64.3 | 20% | 0.203 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65.7 | -46.9 | 178 | 61.6 | -34.5 | 0 | 0 | 0 | 112 | T259 M263 A264 Y265 L276 | T259-D261 VanDerWaalsContact C-N 3.32Å; T259-D261 WeakPolarHBondContact CB-OD1 3.35Å; T259-D261 PolarHBondContact O-N 3.11Å; T259-D261 PolarHBondContact OG1-OD1 3.42Å; D261-M263 VanDerWaalsContact C-N 3.26Å; D261-M263 PolarHBondContact O-N 3.21Å; D261-A264 PolarHBondContact O-N 3.46Å; D261-Y265 WeakPolarHBondContact O-CD2 3.05Å; D261-Y265 PolarHBondContact O-N 2.77Å; D261-L276 HydrophobicContact CB-CB 3.62Å; D261-L276 HydrophobicContact CB-CD1 4.43Å |
| 262 | V | 94.7 | Very high | 92.9 | Very high | 75 Ų | 75 | 61.3 Ų | 61.3 | 46% | 0.455 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.7 | -40.9 | 175.7 | 176.2 | 0 | 0 | 0 | 0 | 109.9 | I258 T259 Y265 A266 | I258-V262 HydrophobicContact CG2-CB 4.17Å; I258-V262 HydrophobicContact CG2-CG1 4.12Å; T259-V262 PolarHBondContact O-N 3.2Å; T259-V262 WeakPolarHBondContact OG1-CG2 3.44Å; V262-Y265 PolarHBondContact O-N 3.28Å; V262-A266 WeakPolarHBondContact O-CB 3.29Å; V262-A266 PolarHBondContact O-N 3.49Å |
| 263 | M | 94.4 | Very high | 93 | Very high | 17 Ų | 17 | 59.7 Ų | 59.7 | 8% | 0.084 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 175.3 | -175.7 | 161.6 | -72 | 0 | 0 | 112.2 | F225 H229 K233 I258 T259 P260 D261 A266 Q267 | F225-M263 HydrophobicContact CD1-CE 4.1Å; F225-M263 HydrophobicContact CE1-CE 3.32Å; F225-M263 HydrophobicContact CE1-SD 4.26Å; F225-M263 HydrophobicContact CZ-CE 3.81Å; H229-M263 HydrophobicContact CB-SD 4.35Å; K233-M263 HydrophobicContact CB-CG 3.87Å; K233-M263 HydrophobicContact CB-SD 3.67Å; K233-M263 HydrophobicContact CD-SD 4.18Å; K233-M263 HydrophobicContact CG-CG 4.15Å; K233-M263 HydrophobicContact CG-SD 4Å; I258-M263 HydrophobicContact CG2-CB 4.07Å; I258-M263 HydrophobicContact CG2-CE 4.14Å; T259-M263 PolarHBondContact O-N 3.48Å; P260-M263 PolarHBondContact O-N 2.71Å; D261-M263 VanDerWaalsContact C-N 3.26Å; D261-M263 PolarHBondContact O-N 3.21Å; M263-A266 PolarHBondContact O-N 2.9Å; M263-Q267 WeakPolarHBondContact O-CG 3.01Å; M263-Q267 PolarHBondContact O-N 3.49Å; M263-Q267 VanDerWaalsContact O-N 3.16Å |
| 264 | A | 96.1 | Very high | 93 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A232 P260 D261 Q267 G268 H269 V272 | A232-A264 HydrophobicContact CB-CB 4.23Å; P260-A264 PolarHBondContact O-N 2.91Å; D261-A264 PolarHBondContact O-N 3.46Å; A264-Q267 PolarHBondContact O-N 2.8Å; A264-G268 PolarHBondContact O-N 3.49Å; A264-H269 HydrophobicContact CB-CB 4.36Å; A264-H269 PolarHBondContact O-N 2.81Å; A264-V272 HydrophobicContact CB-CB 4.07Å; A264-V272 HydrophobicContact CB-CG1 3.83Å |
| 265 | Y | 96.8 | Very high | 93.2 | Very high | 102 Ų | 102 | 61.3 Ų | 61.3 | 40% | 0.4 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.3 | -41.7 | 176.7 | -76.9 | -60.8 | 0 | 0 | 0 | 112.4 | D261 V262 Q267 G268 G273 M274 | D261-Y265 WeakPolarHBondContact O-CD2 3.05Å; D261-Y265 PolarHBondContact O-N 2.77Å; V262-Y265 PolarHBondContact O-N 3.28Å; Y265-Q267 PolarHBondContact O-N 3.33Å; Y265-G268 PolarHBondContact O-N 3.31Å; Y265-G273 VanDerWaalsContact CZ-C 3.42Å; Y265-G273 VanDerWaalsContact OH-C 3.31Å; Y265-M274 WeakPolarHBondContact OH-CA 3.33Å; Y265-M274 WeakPolarHBondContact OH-CG 3.23Å; Y265-M274 PolarHBondContact OH-N 3.39Å; Y265-M274 VanDerWaalsContact OH-N 3.15Å |
| 266 | A | 94.5 | Very high | 93.5 | Very high | 79 Ų | 79 | 53.9 Ų | 53.9 | 65% | 0.653 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -62 | -29.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V262 M263 | V262-A266 WeakPolarHBondContact O-CB 3.29Å; V262-A266 PolarHBondContact O-N 3.49Å; M263-A266 PolarHBondContact O-N 2.9Å |
| 267 | Q | 95.5 | Very high | 93.7 | Very high | 107 Ų | 107 | 51.4 Ų | 51.4 | 50% | 0.5 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 2.5 | 176 | -59.4 | -61 | -24.8 | 0 | 0 | 113.5 | K233 M263 A264 Y265 | K233-Q267 HydrophobicContact CG-CG 4.06Å; K233-Q267 WeakPolarHBondContact O-CB 3.39Å; K233-Q267 WeakPolarHBondContact O-CG 3.37Å; M263-Q267 WeakPolarHBondContact O-CG 3.01Å; M263-Q267 PolarHBondContact O-N 3.49Å; M263-Q267 VanDerWaalsContact O-N 3.16Å; A264-Q267 PolarHBondContact O-N 2.8Å; Y265-Q267 PolarHBondContact O-N 3.33Å |
| 268 | G | 94.3 | Very high | 93.6 | Very high | 55 Ų | 55 | 53.9 Ų | 53.9 | 57% | 0.567 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.2 | 5.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | A264 Y265 S270 | A264-G268 PolarHBondContact O-N 3.49Å; Y265-G268 PolarHBondContact O-N 3.31Å; G268-S270 VanDerWaalsContact C-N 3.3Å; G268-S270 PolarHBondContact O-N 3.33Å |
| 269 | H | 96.2 | Very high | 93.3 | Very high | 64 Ų | 64 | 51.7 Ų | 51.7 | 30% | 0.296 | 29% | 0.285 | S | S | . | . | trans | -84 | 67 | -178.3 | -58.6 | -53.4 | 0 | 0 | 0 | 112.5 | K233 H234 G235 A264 K271 V272 G273 | K233-H269 PolarHBondContact O-CD2 3.37Å; K233-H269 PolarHBondContact O-NE2 2.94Å; H234-H269 VanDerWaalsContact C-NE2 3.28Å; G235-H269 WeakPolarHBondContact CA-CD2 3.44Å; G235-H269 PolarHBondContact N-CD2 3.28Å; G235-H269 PolarHBondContact N-NE2 3.39Å; A264-H269 HydrophobicContact CB-CB 4.36Å; A264-H269 PolarHBondContact O-N 2.81Å; H269-K271 PolarHBondContact O-N 2.81Å; H269-V272 HydrophobicContact CB-CB 4.22Å; H269-V272 HydrophobicContact CB-CG2 4.37Å; H269-V272 PolarHBondContact O-N 2.97Å; H269-G273 PolarHBondContact O-N 3.33Å | ||
| 270 | S | 93.8 | Very high | 92.5 | Very high | 69 Ų | 69 | 57.1 Ų | 57.1 | 48% | 0.483 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -56.3 | -41.5 | -172.4 | -63.2 | 0 | 0 | 0 | 0 | 114.3 | G268 V272 G273 M274 | G268-S270 VanDerWaalsContact C-N 3.3Å; G268-S270 PolarHBondContact O-N 3.33Å; S270-V272 VanDerWaalsContact C-N 3.3Å; S270-V272 PolarHBondContact O-N 3.07Å; S270-G273 PolarHBondContact O-N 2.72Å; S270-M274 WeakPolarHBondContact O-CB 3.33Å; S270-M274 VanDerWaalsContact O-CG 3.27Å; S270-M274 WeakPolarHBondContact O-CG 3.48Å; S270-M274 PolarHBondContact O-N 3.11Å |
| 271 | K | 91 | Very high | 91.6 | Very high | 141 Ų | 141 | 60.7 Ų | 60.7 | 61% | 0.613 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -61 | -39.2 | 178 | -71.5 | -168.6 | 177.7 | -168 | 0 | 111.9 | H269 L275 E564 | H269-K271 PolarHBondContact O-N 2.81Å; K271-L275 PolarHBondContact O-N 3.45Å; K271-L275 VanDerWaalsContact O-N 3.1Å; K271-E564 IonicContact NZ-OE1 3.12Å |
| 272 | V | 94.1 | Very high | 90.6 | Very high | 3 Ų | 3 | 66.8 Ų | 66.8 | 2% | 0.018 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -71.8 | -46 | 178.6 | 177.5 | 0 | 0 | 0 | 0 | 110.8 | A232 L237 V240 A264 H269 S270 M274 L275 L276 | A232-V272 HydrophobicContact CB-CG1 4.24Å; L237-V272 HydrophobicContact CB-CG2 3.98Å; L237-V272 HydrophobicContact CD1-CG2 4.01Å; V240-V272 HydrophobicContact CB-CG1 4.41Å; V240-V272 HydrophobicContact CG1-CG1 4.25Å; V240-V272 HydrophobicContact CG2-CG1 3.85Å; A264-V272 HydrophobicContact CB-CB 4.07Å; A264-V272 HydrophobicContact CB-CG1 3.83Å; H269-V272 HydrophobicContact CB-CB 4.22Å; H269-V272 HydrophobicContact CB-CG2 4.37Å; H269-V272 PolarHBondContact O-N 2.97Å; S270-V272 VanDerWaalsContact C-N 3.3Å; S270-V272 PolarHBondContact O-N 3.07Å; V272-M274 VanDerWaalsContact C-N 3.32Å; V272-M274 PolarHBondContact O-N 3.42Å; V272-L275 WeakPolarHBondContact O-CB 3.43Å; V272-L275 PolarHBondContact O-N 3.44Å; V272-L276 HydrophobicContact CG1-CD1 3.75Å; V272-L276 HydrophobicContact CG1-CG 4.49Å; V272-L276 WeakPolarHBondContact O-CG 3.3Å; V272-L276 PolarHBondContact O-N 2.99Å |
| 273 | G | 94.1 | Very high | 90 | Very high | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57.6 | -44.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y265 H269 S270 L275 L276 T277 | Y265-G273 VanDerWaalsContact CZ-C 3.42Å; Y265-G273 VanDerWaalsContact OH-C 3.31Å; H269-G273 PolarHBondContact O-N 3.33Å; S270-G273 PolarHBondContact O-N 2.72Å; G273-L275 PolarHBondContact O-N 3.41Å; G273-L276 PolarHBondContact O-N 2.87Å; G273-T277 WeakPolarHBondContact O-CB 3.22Å; G273-T277 PolarHBondContact O-N 3.38Å; G273-T277 PolarHBondContact O-OG1 3.39Å |
| 274 | M | 92.2 | Very high | 89.4 | Confident | 101 Ų | 101 | 68.7 Ų | 68.7 | 50% | 0.498 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 176.6 | -76.7 | 178.7 | 68.1 | 0 | 0 | 112.5 | Y265 S270 V272 K278 | Y265-M274 WeakPolarHBondContact OH-CA 3.33Å; Y265-M274 WeakPolarHBondContact OH-CG 3.23Å; Y265-M274 PolarHBondContact OH-N 3.39Å; Y265-M274 VanDerWaalsContact OH-N 3.15Å; S270-M274 WeakPolarHBondContact O-CB 3.33Å; S270-M274 VanDerWaalsContact O-CG 3.27Å; S270-M274 WeakPolarHBondContact O-CG 3.48Å; S270-M274 PolarHBondContact O-N 3.11Å; V272-M274 VanDerWaalsContact C-N 3.32Å; V272-M274 PolarHBondContact O-N 3.42Å; M274-K278 WeakPolarHBondContact O-CG 3.28Å; M274-K278 PolarHBondContact O-N 2.85Å |
| 275 | L | 92 | Very high | 88.8 | Confident | 11 Ų | 11 | 72.7 Ų | 72.7 | 6% | 0.058 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.5 | -54.8 | 176 | -179.1 | 71.9 | 0 | 0 | 0 | 109.9 | L237 V240 R241 K271 V272 G273 T277 K278 M279 P572 | L237-L275 HydrophobicContact CD1-CB 4.28Å; L237-L275 HydrophobicContact CD1-CD2 3.74Å; V240-L275 HydrophobicContact CG1-CD2 4.06Å; R241-L275 HydrophobicContact CG-CD2 3.5Å; R241-L275 VanDerWaalsContact CG-CD2 3.5Å; K271-L275 PolarHBondContact O-N 3.45Å; K271-L275 VanDerWaalsContact O-N 3.1Å; V272-L275 WeakPolarHBondContact O-CB 3.43Å; V272-L275 PolarHBondContact O-N 3.44Å; G273-L275 PolarHBondContact O-N 3.41Å; L275-T277 VanDerWaalsContact C-N 3.31Å; L275-T277 PolarHBondContact O-N 3.15Å; L275-K278 WeakPolarHBondContact O-CB 3.25Å; L275-K278 PolarHBondContact O-N 3.1Å; L275-K278 VanDerWaalsContact O-N 3.07Å; L275-M279 HydrophobicContact CD1-CE 3.32Å; L275-M279 HydrophobicContact CG-CE 3.85Å; L275-M279 WeakPolarHBondContact O-CG 3.36Å; L275-M279 PolarHBondContact O-N 3.29Å; L275-P572 HydrophobicContact CD1-CB 3.75Å |
| 276 | L | 92.6 | Very high | 88.3 | Confident | 9 Ų | 9 | 70.2 Ų | 70.2 | 5% | 0.047 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62 | -37.4 | -177.4 | -70.7 | 162.7 | 0 | 0 | 0 | 112.4 | L228 A232 V240 I244 P250 P260 D261 V272 G273 K278 M279 | L228-L276 HydrophobicContact CD1-CD2 4.28Å; L228-L276 HydrophobicContact CD2-CD2 4.32Å; L228-L276 HydrophobicContact CG-CD2 4.48Å; A232-L276 HydrophobicContact CB-CD1 3.87Å; V240-L276 HydrophobicContact CG1-CD1 4.27Å; V240-L276 HydrophobicContact CG1-CD2 3.82Å; V240-L276 HydrophobicContact CG1-CG 3.97Å; I244-L276 HydrophobicContact CD1-CD2 3.82Å; P250-L276 HydrophobicContact CB-CD2 4.06Å; P260-L276 HydrophobicContact CB-CD1 3.94Å; P260-L276 HydrophobicContact CB-CD2 4.45Å; D261-L276 HydrophobicContact CB-CB 3.62Å; D261-L276 HydrophobicContact CB-CD1 4.43Å; V272-L276 HydrophobicContact CG1-CD1 3.75Å; V272-L276 HydrophobicContact CG1-CG 4.49Å; V272-L276 WeakPolarHBondContact O-CG 3.3Å; V272-L276 PolarHBondContact O-N 2.99Å; G273-L276 PolarHBondContact O-N 2.87Å; L276-K278 VanDerWaalsContact C-N 3.26Å; L276-K278 PolarHBondContact O-N 3.27Å; L276-M279 WeakPolarHBondContact O-CB 3.44Å; L276-M279 PolarHBondContact O-N 2.71Å |
| 277 | T | 91 | Very high | 88 | Confident | 74 Ų | 74 | 68.6 Ų | 68.6 | 45% | 0.454 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.6 | -34.2 | 175.5 | -54.9 | 0 | 0 | 0 | 0 | 112.2 | G273 L275 M279 | G273-T277 WeakPolarHBondContact O-CB 3.22Å; G273-T277 PolarHBondContact O-N 3.38Å; G273-T277 PolarHBondContact O-OG1 3.39Å; L275-T277 VanDerWaalsContact C-N 3.31Å; L275-T277 PolarHBondContact O-N 3.15Å; T277-M279 PolarHBondContact O-N 2.97Å |
| 278 | K | 87.1 | Confident | 87.5 | Confident | 103 Ų | 103 | 65.2 Ų | 65.2 | 45% | 0.448 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -72.6 | -18.5 | 175.6 | -72.5 | 179.3 | 178.6 | -176.3 | 0 | 112.6 | M274 L275 L276 K280 W287 | M274-K278 WeakPolarHBondContact O-CG 3.28Å; M274-K278 PolarHBondContact O-N 2.85Å; L275-K278 WeakPolarHBondContact O-CB 3.25Å; L275-K278 PolarHBondContact O-N 3.1Å; L275-K278 VanDerWaalsContact O-N 3.07Å; L276-K278 VanDerWaalsContact C-N 3.26Å; L276-K278 PolarHBondContact O-N 3.27Å; K278-K280 PolarHBondContact O-N 3.33Å; K278-K280 VanDerWaalsContact O-N 3.15Å; K278-W287 HydrophobicContact CB-CH2 4.49Å |
| 279 | M | 85.3 | Confident | 87 | Confident | 8 Ų | 8 | 68.3 Ų | 68.3 | 4% | 0.039 | 35% | 0.347 | C | S | . | . | trans | -89.4 | 70.3 | -170.6 | -64.1 | -71.9 | 169.3 | 0 | 0 | 111.8 | I244 P250 L275 L276 T277 C284 W287 P572 L573 | I244-M279 HydrophobicContact CD1-CG 4.04Å; I244-M279 HydrophobicContact CG2-SD 4.37Å; P250-M279 HydrophobicContact CB-CB 4.4Å; P250-M279 HydrophobicContact CG-CB 4.02Å; P250-M279 VanDerWaalsContact CG-O 3.25Å; P250-M279 WeakPolarHBondContact CG-O 3.25Å; L275-M279 HydrophobicContact CD1-CE 3.32Å; L275-M279 HydrophobicContact CG-CE 3.85Å; L275-M279 WeakPolarHBondContact O-CG 3.36Å; L275-M279 PolarHBondContact O-N 3.29Å; L276-M279 WeakPolarHBondContact O-CB 3.44Å; L276-M279 PolarHBondContact O-N 2.71Å; T277-M279 PolarHBondContact O-N 2.97Å; M279-C284 VanDerWaalsContact CA-SG 3.59Å; M279-C284 WeakPolarHBondContact CB-SG 3.16Å; M279-W287 HydrophobicContact CE-CE3 4.18Å; M279-W287 HydrophobicContact CE-CZ3 3.93Å; M279-W287 HydrophobicContact SD-CE3 3.65Å; M279-W287 HydrophobicContact SD-CZ3 3.43Å; M279-W287 WeakPolarHBondContact SD-CZ3 3.31Å; M279-P572 HydrophobicContact CE-CB 3.78Å; M279-P572 HydrophobicContact CE-CG 3.62Å; M279-L573 HydrophobicContact CE-CD2 3.36Å; M279-L573 HydrophobicContact CE-CG 3.69Å; M279-L573 HydrophobicContact SD-CD1 4.13Å; M279-L573 HydrophobicContact SD-CD2 3.69Å; M279-L573 HydrophobicContact SD-CG 3.91Å | ||
| 280 | K | 78.2 | Confident | 86.5 | Confident | 143 Ų | 143 | 67.1 Ų | 67.1 | 62% | 0.622 | 34% | 0.341 | S | S | * | . | trans | -75.9 | 141.5 | 165.1 | -67.5 | -170.7 | 178.3 | -173.2 | 0 | 109.8 | K278 E282 K283 C284 | K278-K280 PolarHBondContact O-N 3.33Å; K278-K280 VanDerWaalsContact O-N 3.15Å; K280-E282 VanDerWaalsContact C-N 3.28Å; K280-E282 PolarHBondContact O-N 3.26Å; K280-E282 VanDerWaalsContact O-N 3.14Å; K280-K283 PolarHBondContact O-N 3.47Å; K280-C284 PolarHBondContact O-N 2.84Å; K280-C284 PolarHBondContact O-SG 3.24Å | ||
| 281 | P | 74.2 | Confident | 86.1 | Confident | 75 Ų | 75 | 64.4 Ų | 64.4 | 49% | 0.487 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -53.7 | -41.9 | -171.5 | 16 | -29.3 | 0 | 0 | 0 | 113.3 | K283 C284 T285 | P281-K283 PolarHBondContact O-N 3.25Å; P281-C284 PolarHBondContact O-N 2.87Å; P281-T285 WeakPolarHBondContact O-CG2 3.44Å; P281-T285 PolarHBondContact O-N 3.48Å; P281-T285 VanDerWaalsContact O-N 3.11Å |
| 282 | E | 75.5 | Confident | 85.5 | Confident | 167 Ų | 167 | 65.6 Ų | 65.6 | 78% | 0.78 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -59.2 | -44.1 | 176.7 | -63.4 | 176.5 | -179.3 | 0 | 0 | 112.9 | K280 T285 | K280-E282 VanDerWaalsContact C-N 3.28Å; K280-E282 PolarHBondContact O-N 3.26Å; K280-E282 VanDerWaalsContact O-N 3.14Å; E282-T285 PolarHBondContact O-OG1 2.93Å |
| 283 | K | 81.5 | Confident | 84.5 | Confident | 124 Ų | 124 | 73.6 Ų | 73.6 | 54% | 0.539 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -72.2 | -36.6 | 178.4 | -69.8 | -171.7 | 177.4 | -175.2 | 0 | 112.1 | K280 P281 T285 A286 W287 | K280-K283 PolarHBondContact O-N 3.47Å; P281-K283 PolarHBondContact O-N 3.25Å; K283-T285 VanDerWaalsContact C-N 3.31Å; K283-T285 PolarHBondContact O-N 2.88Å; K283-A286 PolarHBondContact O-N 3.47Å; K283-W287 HydrophobicContact CB-CE3 4.31Å; K283-W287 HydrophobicContact CB-CH2 4.18Å; K283-W287 HydrophobicContact CB-CZ3 4.05Å; K283-W287 HydrophobicContact CD-CH2 4.34Å; K283-W287 PolarHBondContact O-N 2.76Å |
| 284 | C | 82.1 | Confident | 83.6 | Confident | 8 Ų | 8 | 74.6 Ų | 74.6 | 5% | 0.054 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -57.9 | -44.9 | 176.5 | -69.8 | 0 | 0 | 0 | 0 | 111.3 | M279 K280 P281 A286 W287 I288 | M279-C284 VanDerWaalsContact CA-SG 3.59Å; M279-C284 WeakPolarHBondContact CB-SG 3.16Å; K280-C284 PolarHBondContact O-N 2.84Å; K280-C284 PolarHBondContact O-SG 3.24Å; P281-C284 PolarHBondContact O-N 2.87Å; C284-A286 PolarHBondContact O-N 3.37Å; C284-W287 PolarHBondContact O-N 3.25Å; C284-I288 WeakPolarHBondContact O-CB 3.49Å; C284-I288 VanDerWaalsContact O-CG1 3.22Å; C284-I288 WeakPolarHBondContact O-CG1 3.43Å; C284-I288 PolarHBondContact O-N 2.93Å |
| 285 | T | 83.7 | Confident | 82.6 | Confident | 84 Ų | 84 | 75.1 Ų | 75.1 | 52% | 0.515 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.6 | -44.7 | 178 | 60.5 | 0 | 0 | 0 | 0 | 112.2 | P281 E282 K283 W287 I288 E289 | P281-T285 WeakPolarHBondContact O-CG2 3.44Å; P281-T285 PolarHBondContact O-N 3.48Å; P281-T285 VanDerWaalsContact O-N 3.11Å; E282-T285 PolarHBondContact O-OG1 2.93Å; K283-T285 VanDerWaalsContact C-N 3.31Å; K283-T285 PolarHBondContact O-N 2.88Å; T285-W287 PolarHBondContact O-N 3.23Å; T285-I288 PolarHBondContact O-N 2.87Å; T285-E289 WeakPolarHBondContact O-CG 3.29Å; T285-E289 PolarHBondContact O-N 2.95Å |
| 286 | A | 85.3 | Confident | 81.8 | Confident | 50 Ų | 50 | 80.9 Ų | 80.9 | 41% | 0.413 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | K283 C284 E289 Q290 | K283-A286 PolarHBondContact O-N 3.47Å; C284-A286 PolarHBondContact O-N 3.37Å; A286-E289 PolarHBondContact O-N 3.3Å; A286-Q290 PolarHBondContact O-N 3.36Å |
| 287 | W | 87.6 | Confident | 81.1 | Confident | 44 Ų | 44 | 84.8 Ų | 84.8 | 17% | 0.167 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -66.7 | -37.4 | 176 | -72.9 | -37.1 | 0 | 0 | 0 | 112.9 | K278 M279 K283 C284 T285 Q290 L291 N571 P572 L573 | K278-W287 HydrophobicContact CB-CH2 4.49Å; M279-W287 HydrophobicContact CE-CE3 4.18Å; M279-W287 HydrophobicContact CE-CZ3 3.93Å; M279-W287 HydrophobicContact SD-CE3 3.65Å; M279-W287 HydrophobicContact SD-CZ3 3.43Å; M279-W287 WeakPolarHBondContact SD-CZ3 3.31Å; K283-W287 HydrophobicContact CB-CE3 4.31Å; K283-W287 HydrophobicContact CB-CH2 4.18Å; K283-W287 HydrophobicContact CB-CZ3 4.05Å; K283-W287 HydrophobicContact CD-CH2 4.34Å; K283-W287 PolarHBondContact O-N 2.76Å; C284-W287 PolarHBondContact O-N 3.25Å; T285-W287 PolarHBondContact O-N 3.23Å; W287-Q290 PolarHBondContact O-N 3.2Å; W287-L291 WeakPolarHBondContact O-CG 3.4Å; W287-L291 PolarHBondContact O-N 3.35Å; W287-N571 PolarHBondContact O-ND2 3.23Å; W287-P572 HydrophobicContact CD2-CG 3.93Å; W287-P572 HydrophobicContact CE3-CG 3.87Å; W287-P572 HydrophobicContact CH2-CG 3.63Å; W287-P572 HydrophobicContact CZ2-CG 3.66Å; W287-P572 HydrophobicContact CZ3-CG 3.74Å; W287-L573 HydrophobicContact CB-CD1 4Å; W287-L573 HydrophobicContact CE3-CD1 4.45Å |
| 288 | I | 85.2 | Confident | 80.3 | Confident | 37 Ų | 37 | 82.5 Ų | 82.5 | 19% | 0.19 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -66.7 | -41.3 | 175.3 | -68.2 | 166.1 | 0 | 0 | 0 | 109.9 | L245 C284 T285 Q290 L291 R292 L573 | L245-I288 HydrophobicContact CD1-CG1 4.39Å; C284-I288 WeakPolarHBondContact O-CB 3.49Å; C284-I288 VanDerWaalsContact O-CG1 3.22Å; C284-I288 WeakPolarHBondContact O-CG1 3.43Å; C284-I288 PolarHBondContact O-N 2.93Å; T285-I288 PolarHBondContact O-N 2.87Å; I288-Q290 PolarHBondContact O-N 3.01Å; I288-L291 PolarHBondContact O-N 3.45Å; I288-R292 PolarHBondContact O-N 3.3Å; I288-L573 HydrophobicContact CG1-CD1 3.98Å |
| 289 | E | 84.3 | Confident | 79.9 | Confident | 120 Ų | 120 | 81.2 Ų | 81.2 | 56% | 0.561 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -62.2 | -40.4 | 175.2 | -78.1 | -174.7 | 169.9 | 0 | 0 | 112.5 | T285 A286 L291 R292 | T285-E289 WeakPolarHBondContact O-CG 3.29Å; T285-E289 PolarHBondContact O-N 2.95Å; A286-E289 PolarHBondContact O-N 3.3Å; E289-L291 PolarHBondContact O-N 3.12Å; E289-R292 WeakPolarHBondContact O-CB 3.44Å; E289-R292 PolarHBondContact O-N 3.32Å; E289-R292 VanDerWaalsContact O-N 3.14Å |
| 290 | Q | 85.8 | Confident | 79.9 | Confident | 38 Ų | 38 | 82.3 Ų | 82.3 | 18% | 0.178 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -58.6 | -29.1 | 175.1 | -81.7 | 178.6 | -17.9 | 0 | 0 | 113.8 | A286 W287 I288 N535 S536 L537 D540 N571 | A286-Q290 PolarHBondContact O-N 3.36Å; W287-Q290 PolarHBondContact O-N 3.2Å; I288-Q290 PolarHBondContact O-N 3.01Å; Q290-N535 WeakPolarHBondContact O-CB 3.4Å; Q290-S536 PolarHBondContact O-N 3.31Å; Q290-L537 HydrophobicContact CB-CB 4.48Å; Q290-L537 PolarHBondContact O-N 3.18Å; Q290-D540 PolarHBondContact NE2-OD2 3.49Å; Q290-N571 PolarHBondContact OE1-ND2 3.23Å |
| 291 | L | 84.5 | Confident | 80.4 | Confident | 12 Ų | 12 | 75.6 Ų | 75.6 | 6% | 0.063 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -84.7 | -16.5 | -178.5 | -65.5 | 172.4 | 0 | 0 | 0 | 113 | L245 W287 I288 E289 L537 L573 H578 | L245-L291 HydrophobicContact CD1-CD1 3.54Å; W287-L291 WeakPolarHBondContact O-CG 3.4Å; W287-L291 PolarHBondContact O-N 3.35Å; I288-L291 PolarHBondContact O-N 3.45Å; E289-L291 PolarHBondContact O-N 3.12Å; L291-L537 HydrophobicContact CD2-CD1 3.34Å; L291-L537 HydrophobicContact CG-CD1 4.48Å; L291-L573 HydrophobicContact CD1-CB 4.1Å; L291-H578 HydrophobicContact CD2-CB 4.25Å |
| 292 | R | 80.3 | Confident | 81.2 | Confident | 167 Ų | 167 | 72.4 Ų | 72.4 | 63% | 0.63 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -64.9 | 143.3 | 177.4 | -68.3 | -178.5 | 177.9 | -173.8 | -0.2 | 110.5 | I288 E289 G294 N535 | I288-R292 PolarHBondContact O-N 3.3Å; E289-R292 WeakPolarHBondContact O-CB 3.44Å; E289-R292 PolarHBondContact O-N 3.32Å; E289-R292 VanDerWaalsContact O-N 3.14Å; R292-G294 PolarHBondContact O-N 2.97Å; R292-G294 VanDerWaalsContact O-N 3.15Å; R292-N535 WeakPolarHBondContact O-CB 3.24Å |
| 293 | Q | 73 | Confident | 82 | Confident | 171 Ų | 171 | 64.6 Ų | 64.6 | 80% | 0.799 | 32% | 0.322 | S | S | * | . | trans | -57.6 | 121.6 | 175.6 | -74.7 | -177.9 | 0.1 | 0 | 0 | 109.9 | ||||
| 294 | G | 74 | Confident | 82.5 | Confident | 21 Ų | 21 | 58.7 Ų | 58.7 | 22% | 0.216 | 30% | 0.296 | C | S | . | . | trans | -79.4 | 176.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R292 R533 T534 | R292-G294 PolarHBondContact O-N 2.97Å; R292-G294 VanDerWaalsContact O-N 3.15Å; G294-R533 WeakPolarHBondContact O-CD 3.31Å; G294-T534 CarbonylContact C-O 3.58Å; G294-T534 WeakPolarHBondContact CA-O 3.41Å; G294-T534 PolarHBondContact N-O 3.13Å; G294-T534 VanDerWaalsContact N-O 3.12Å | ||
| 295 | T | 71.9 | Confident | 83.1 | Confident | 112 Ų | 112 | 58.3 Ų | 58.3 | 69% | 0.687 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -89.1 | -24.3 | 177.7 | 50.2 | 0 | 0 | 0 | 0 | 112.7 | ||
| 296 | H | 74.4 | Confident | 83.6 | Confident | 131 Ų | 131 | 54.3 Ų | 54.3 | 61% | 0.606 | 27% | 0.269 | S | S | * | . | trans | -88.7 | 163.1 | -172.9 | -60.2 | -69 | 0 | 0 | 0 | 112.1 | T534 | H296-T534 VanDerWaalsContact C-OG1 3.24Å; H296-T534 PolarHBondContact O-N 3.34Å; H296-T534 PolarHBondContact O-OG1 2.74Å | ||
| 297 | R | 78 | Confident | 83.9 | Confident | 91 Ų | 91 | 52 Ų | 52 | 34% | 0.343 | 25% | 0.25 | S | C | . | . | trans | -124.8 | 155.3 | 174 | -67.8 | -171.9 | 164.9 | 149.6 | -22 | 108.8 | I528 Q529 L531 R533 | R297-I528 HydrophobicContact CB-CG2 3.97Å; R297-I528 WeakPolarHBondContact CD-O 3.29Å; R297-Q529 VanDerWaalsContact NH1-C 3.34Å; R297-Q529 PolarHBondContact NH1-O 3.35Å; R297-Q529 PolarHBondContact NH2-O 3.19Å; R297-L531 WeakPolarHBondContact CD-O 3.39Å; R297-L531 PolarHBondContact NE-O 3.11Å; R297-L531 PolarHBondContact NH2-O 3.03Å; R297-R533 HydrophobicContact CG-CG 4.37Å | ||
| 298 | M | 75.6 | Confident | 83.9 | Confident | 27 Ų | 27 | 50.7 Ų | 50.7 | 13% | 0.133 | 25% | 0.247 | C | C | . | . | trans | -64.3 | 129.9 | 175.3 | -101.1 | -167 | 93.6 | 0 | 0 | 109.9 | R300 T534 M538 A589 | M298-R300 HydrophobicContact CE-CB 4.29Å; M298-R300 PolarHBondContact O-N 3.48Å; M298-T534 HydrophobicContact CB-CG2 4.17Å; M298-T534 HydrophobicContact CG-CG2 3.8Å; M298-M538 HydrophobicContact SD-CE 4.21Å; M298-A589 HydrophobicContact CE-CB 3.1Å; M298-A589 HydrophobicContact SD-CB 3.32Å; M298-A589 WeakPolarHBondContact SD-CB 3.37Å | ||
| 299 | P | 77.3 | Confident | 83.8 | Confident | 76 Ų | 76 | 51.3 Ų | 51.3 | 49% | 0.494 | 26% | 0.255 | S | S | . | . | trans | -77.9 | -8.5 | -180 | 31.9 | -35.8 | 0 | 0 | 0 | 112.7 | I528 | P299-I528 WeakPolarHBondContact O-CD1 3.44Š| ||
| 300 | R | 85.5 | Confident | 83.8 | Confident | 31 Ų | 31 | 52.2 Ų | 52.2 | 12% | 0.117 | 26% | 0.263 | C | S | . | . | trans | -105.3 | 134.8 | -170.1 | -176.6 | 161.5 | 71 | -153.3 | -2.1 | 112.6 | M298 T379 E381 A589 N591 | M298-R300 HydrophobicContact CE-CB 4.29Å; M298-R300 PolarHBondContact O-N 3.48Å; R300-T379 WeakPolarHBondContact CD-O 3.38Å; R300-T379 PolarHBondContact NH1-O 3.04Å; R300-E381 WeakPolarHBondContact CA-O 3.21Å; R300-A589 PolarHBondContact NE-O 2.79Å; R300-N591 PolarHBondContact NH2-ND2 2.87Å; R300-N591 PolarHBondContact NH2-OD1 3.49Å | ||
| 301 | I | 88 | Confident | 83.9 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 165.5 | 173.9 | 67.4 | 170.2 | 0 | 0 | 0 | 111.1 | E381 Y382 T383 I407 R524 I527 I528 L531 | I301-E381 PolarHBondContact N-O 2.62Å; I301-Y382 HydrophobicContact CD1-CD1 4.48Å; I301-Y382 HydrophobicContact CD1-CE1 4.12Å; I301-Y382 HydrophobicContact CG1-CD1 3.84Å; I301-Y382 HydrophobicContact CG1-CE1 3.91Å; I301-Y382 VanDerWaalsContact O-CA 3.29Å; I301-Y382 WeakPolarHBondContact O-CA 3.46Å; I301-T383 PolarHBondContact O-N 2.92Å; I301-T383 PolarHBondContact O-OG1 2.85Å; I301-I407 HydrophobicContact CD1-CD1 3.76Å; I301-I407 HydrophobicContact CD1-CG1 4.04Å; I301-R524 HydrophobicContact CD1-CB 3.74Å; I301-R524 HydrophobicContact CD1-CG 3.75Å; I301-R524 HydrophobicContact CG1-CB 4.4Å; I301-R524 HydrophobicContact CG1-CG 3.92Å; I301-R524 HydrophobicContact CG2-CG 4.45Å; I301-I527 HydrophobicContact CD1-CD1 3.93Å; I301-I527 HydrophobicContact CG2-CG2 3.96Å; I301-I528 HydrophobicContact CG2-CG1 4.18Å; I301-L531 HydrophobicContact CG2-CD1 4.16Å |
| 302 | K | 91 | Very high | 84 | Confident | 8 Ų | 8 | 50.7 Ų | 50.7 | 4% | 0.035 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 138.9 | 173.6 | -62.7 | 169.9 | -169.3 | 164.3 | 0 | 111.2 | T383 D403 C406 I407 Q587 | K302-T383 CarbonylContact C-O 3.55Å; K302-T383 VanDerWaalsContact CA-O 3.32Å; K302-T383 WeakPolarHBondContact CA-O 3.28Å; K302-T383 WeakPolarHBondContact CG-OG1 3.48Å; K302-D403 IonicContact NZ-OD2 3.55Å; K302-D403 PolarHBondContact NZ-OD2 3.37Å; K302-C406 HydrophobicContact CB-CB 3.73Å; K302-C406 WeakPolarHBondContact O-CB 3.49Å; K302-I407 PolarHBondContact O-N 3.36Å; K302-Q587 WeakPolarHBondContact CE-O 3.4Å; K302-Q587 PolarHBondContact NZ-O 2.97Å |
| 303 | L | 92.2 | Very high | 84.4 | Confident | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 116.2 | 169.2 | -174.3 | 65.2 | 0 | 0 | 0 | 108.5 | L305 L320 Y382 T383 L384 W385 I407 L409 L520 | L303-L305 HydrophobicContact CG-CD1 4.38Å; L303-L320 HydrophobicContact CD2-CD1 4.07Å; L303-Y382 HydrophobicContact CB-CD1 4.02Å; L303-Y382 HydrophobicContact CB-CG 4.4Å; L303-T383 PolarHBondContact N-O 3.39Å; L303-L384 HydrophobicContact CD2-CD1 4.24Å; L303-L384 CarbonylContact O-C 3.46Å; L303-L384 VanDerWaalsContact O-CA 3.31Å; L303-L384 WeakPolarHBondContact O-CA 3.43Å; L303-W385 PolarHBondContact O-N 3.47Å; L303-I407 HydrophobicContact CD1-CB 3.62Å; L303-I407 HydrophobicContact CD1-CG2 3.67Å; L303-L409 HydrophobicContact CD1-CD1 3.43Å; L303-L409 VanDerWaalsContact CD1-CD1 3.43Å; L303-L409 HydrophobicContact CD1-CG 4.33Å; L303-L409 HydrophobicContact CD2-CD1 3.86Å; L303-L409 HydrophobicContact CG-CD1 3.65Å; L303-L520 HydrophobicContact CD1-CD2 3.94Å; L303-L520 HydrophobicContact CD2-CD1 4.22Å |
| 304 | K | 93.4 | Very high | 85.1 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 124.6 | -171.8 | -59.1 | -173.9 | -174.7 | 174.6 | 0 | 110.8 | F306 W385 F387 F400 I401 C406 I407 L409 | K304-F306 HydrophobicContact CB-CD2 4.41Å; K304-F306 HydrophobicContact CB-CE2 3.45Å; K304-F306 VanDerWaalsContact CB-CE2 3.45Å; K304-F306 HydrophobicContact CB-CZ 3.86Å; K304-F306 HydrophobicContact CD-CZ 4.29Å; K304-W385 HydrophobicContact CG-CB 4.12Å; K304-W385 HydrophobicContact CG-CG 4.38Å; K304-F387 HydrophobicContact CB-CE2 3.96Å; K304-F387 HydrophobicContact CD-CE2 4.07Å; K304-F387 HydrophobicContact CD-CZ 4.36Å; K304-F387 HydrophobicContact CG-CE2 4.11Å; K304-F400 WeakPolarHBondContact CE-O 3.29Å; K304-F400 PolarHBondContact NZ-O 3.27Å; K304-I401 PolarHBondContact NZ-O 2.71Å; K304-C406 VanDerWaalsContact CE-SG 3.59Å; K304-I407 PolarHBondContact N-O 2.96Å; K304-L409 PolarHBondContact O-N 3.01Å |
| 305 | L | 94.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 126.9 | -179.9 | -68.2 | 77.2 | 0 | 0 | 0 | 109.9 | L303 K313 L316 T317 L384 W385 F387 L409 L411 | L303-L305 HydrophobicContact CG-CD1 4.38Å; L305-K313 HydrophobicContact CD2-CB 4.42Å; L305-L316 HydrophobicContact CD2-CB 4.43Å; L305-L316 HydrophobicContact CD2-CD2 3.97Å; L305-L316 HydrophobicContact CD2-CG 4.38Å; L305-T317 HydrophobicContact CD2-CG2 3.81Å; L305-L384 HydrophobicContact CD1-CD1 3.94Å; L305-L384 HydrophobicContact CD1-CD2 3.66Å; L305-L384 HydrophobicContact CD1-CG 3.58Å; L305-W385 PolarHBondContact N-O 3.24Å; L305-F387 WeakPolarHBondContact O-CB 3.45Å; L305-F387 PolarHBondContact O-N 2.94Å; L305-F387 VanDerWaalsContact O-N 3.13Å; L305-L409 WeakPolarHBondContact CA-O 3.49Å; L305-L409 HydrophobicContact CD1-CD1 4.29Å; L305-L409 HydrophobicContact CG-CB 4.29Å; L305-L409 HydrophobicContact CG-CD1 4.16Å; L305-L411 HydrophobicContact CB-CD1 4.12Å; L305-L411 HydrophobicContact CD2-CD1 4.15Å; L305-L411 HydrophobicContact CG-CD1 4.21Å |
| 306 | F | 94 | Very high | 86.5 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 158.5 | 176.9 | -59.1 | -84 | 0 | 0 | 0 | 110 | K304 F387 I401 H408 L409 V410 L411 W428 L432 | K304-F306 HydrophobicContact CB-CD2 4.41Å; K304-F306 HydrophobicContact CB-CE2 3.45Å; K304-F306 VanDerWaalsContact CB-CE2 3.45Å; K304-F306 HydrophobicContact CB-CZ 3.86Å; K304-F306 HydrophobicContact CD-CZ 4.29Å; F306-F387 HydrophobicContact CD1-CB 4.03Å; F306-F387 HydrophobicContact CD1-CD1 4.48Å; F306-F387 HydrophobicContact CD1-CD2 4.11Å; F306-F387 AromaticContact CD1-CG 3.97Å; F306-F387 HydrophobicContact CD1-CG 3.97Å; F306-F387 HydrophobicContact CE1-CB 4.14Å; F306-F387 AromaticContact CE1-CD1 3.81Å; F306-F387 HydrophobicContact CE1-CD1 3.81Å; F306-F387 AromaticContact CE1-CD2 3.54Å; F306-F387 HydrophobicContact CE1-CD2 3.54Å; F306-F387 HydrophobicContact CE1-CE1 4.04Å; F306-F387 AromaticContact CE1-CE2 3.81Å; F306-F387 HydrophobicContact CE1-CE2 3.81Å; F306-F387 AromaticContact CE1-CG 3.55Å; F306-F387 HydrophobicContact CE1-CG 3.55Å; F306-F387 HydrophobicContact CE1-CZ 4.05Å; F306-F387 HydrophobicContact CE2-CD2 4.45Å; F306-F387 HydrophobicContact CE2-CE2 4.47Å; F306-F387 AromaticContact CZ-CD2 3.73Å; F306-F387 HydrophobicContact CZ-CD2 3.73Å; F306-F387 HydrophobicContact CZ-CE1 4.45Å; F306-F387 AromaticContact CZ-CE2 3.63Å; F306-F387 HydrophobicContact CZ-CE2 3.63Å; F306-F387 HydrophobicContact CZ-CG 4.22Å; F306-F387 HydrophobicContact CZ-CZ 4.01Å; F306-I401 HydrophobicContact CE1-CD1 4.24Å; F306-I401 HydrophobicContact CE1-CG1 3.89Å; F306-I401 HydrophobicContact CZ-CG1 3.91Å; F306-H408 HydrophobicContact CE2-CB 4.34Å; F306-H408 AromaticContact CE2-CD2 3.71Å; F306-L409 PolarHBondContact N-O 2.9Å; F306-V410 HydrophobicContact CB-CG2 4.43Å; F306-L411 PolarHBondContact O-N 3.1Å; F306-W428 HydrophobicContact CB-CD2 4.08Å; F306-W428 HydrophobicContact CB-CE3 3.82Å; F306-W428 HydrophobicContact CB-CZ3 4.25Å; F306-W428 AromaticContact CD1-CE3 3.94Å; F306-W428 HydrophobicContact CD1-CE3 3.94Å; F306-W428 AromaticContact CD1-CZ3 3.77Å; F306-W428 HydrophobicContact CD1-CZ3 3.77Å; F306-W428 HydrophobicContact CG-CE3 4.24Å; F306-W428 HydrophobicContact CG-CZ3 4.46Å; F306-L432 HydrophobicContact CD1-CD2 4.31Å; F306-L432 HydrophobicContact CD2-CD1 4.17Å; F306-L432 HydrophobicContact CD2-CD2 4.09Å; F306-L432 HydrophobicContact CE1-CD2 3.97Å; F306-L432 HydrophobicContact CE2-CD1 4.46Å; F306-L432 HydrophobicContact CE2-CD2 3.74Å; F306-L432 HydrophobicContact CG-CD2 4.37Å; F306-L432 HydrophobicContact CZ-CD2 3.67Å |
| 307 | G | 91.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | 150 | 160.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | K313 G389 L411 W428 | G307-K313 PolarHBondContact O-NZ 3.06Å; G307-G389 WeakPolarHBondContact O-CA 3.26Å; G307-L411 WeakPolarHBondContact CA-O 3.49Å; G307-W428 VanDerWaalsContact C-CE2 3.5Å; G307-W428 VanDerWaalsContact CA-NE1 3.31Å; G307-W428 VanDerWaalsContact O-CZ2 3.28Å; G307-W428 WeakPolarHBondContact O-CZ2 3.5Å | ||
| 308 | S | 87.9 | Confident | 87.1 | Confident | 17 Ų | 17 | 27.7 Ų | 27.7 | 12% | 0.119 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -59.3 | 165.6 | 177.1 | -61 | 0 | 0 | 0 | 0 | 112.2 | V311 K313 W420 S424 | S308-V311 WeakPolarHBondContact O-CG1 3.4Å; S308-V311 VanDerWaalsContact O-CG2 3.24Å; S308-V311 WeakPolarHBondContact O-CG2 3.45Å; S308-K313 PolarHBondContact O-NZ 3.48Å; S308-W420 VanDerWaalsContact OG-CH2 3.32Å; S308-W420 WeakPolarHBondContact OG-CH2 3.47Å; S308-S424 PolarHBondContact OG-OG 3.45Å |
| 309 | S | 84.4 | Confident | 87.6 | Confident | 51 Ų | 51 | 26.4 Ų | 26.4 | 36% | 0.357 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 148.4 | 173.9 | -161.9 | 0 | 0 | 0 | 0 | 110.7 | V311 | S309-V311 PolarHBondContact O-N 3.07Å; S309-V311 VanDerWaalsContact O-N 3.16Å |
| 310 | L | 83.2 | Confident | 87.8 | Confident | 138 Ų | 138 | 24.2 Ų | 24.2 | 72% | 0.723 | 13% | 0.132 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65 | 7.4 | 176.9 | -53 | 172.5 | 0 | 0 | 0 | 117.4 | G312 | L310-G312 PolarHBondContact O-N 3.23Š|
| 311 | V | 88.5 | Confident | 87.1 | Confident | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.012 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -73 | 8.3 | 175.4 | -55.9 | 0 | 0 | 0 | 0 | 114.5 | S308 S309 K313 L411 N413 T459 | S308-V311 WeakPolarHBondContact O-CG1 3.4Å; S308-V311 VanDerWaalsContact O-CG2 3.24Å; S308-V311 WeakPolarHBondContact O-CG2 3.45Å; S309-V311 PolarHBondContact O-N 3.07Å; S309-V311 VanDerWaalsContact O-N 3.16Å; V311-K313 HydrophobicContact CG2-CD 4.37Å; V311-K313 HydrophobicContact CG2-CG 3.73Å; V311-L411 HydrophobicContact CB-CB 4.49Å; V311-L411 HydrophobicContact CG2-CB 3.76Å; V311-N413 HydrophobicContact CB-CB 4.48Å; V311-N413 HydrophobicContact CG1-CB 4.22Å; V311-T459 WeakPolarHBondContact O-CG2 3.24Å; V311-T459 PolarHBondContact O-OG1 3.43Å |
| 312 | G | 86.3 | Confident | 85.7 | Confident | 17 Ų | 17 | 27.6 Ų | 27.6 | 18% | 0.175 | 15% | 0.15 | C | C | . | . | S | Bend | trans | 83.3 | 19.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | L310 T314 Q315 L316 | L310-G312 PolarHBondContact O-N 3.23Å; G312-T314 PolarHBondContact O-N 3.04Å; G312-Q315 PolarHBondContact O-N 3.38Å; G312-L316 PolarHBondContact O-N 3.07Å |
| 313 | K | 89.6 | Confident | 83.8 | Confident | 11 Ų | 11 | 29.2 Ų | 29.2 | 5% | 0.048 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -53.6 | -55.6 | 178 | -62.4 | -180 | -68.1 | -94 | 0 | 112.5 | L305 G307 S308 V311 Q315 L316 T317 D386 F387 L411 | L305-K313 HydrophobicContact CD2-CB 4.42Å; G307-K313 PolarHBondContact O-NZ 3.06Å; S308-K313 PolarHBondContact O-NZ 3.48Å; V311-K313 HydrophobicContact CG2-CD 4.37Å; V311-K313 HydrophobicContact CG2-CG 3.73Å; K313-Q315 PolarHBondContact O-N 2.85Å; K313-L316 CarbonylContact O-C 3.58Å; K313-L316 WeakPolarHBondContact O-CA 3.1Å; K313-L316 VanDerWaalsContact O-CB 3.3Å; K313-L316 WeakPolarHBondContact O-CB 3.32Å; K313-L316 PolarHBondContact O-N 3.31Å; K313-T317 VanDerWaalsContact O-CG2 3.29Å; K313-T317 WeakPolarHBondContact O-CG2 3.44Å; K313-T317 PolarHBondContact O-N 2.93Å; K313-D386 VanDerWaalsContact CB-OD1 3.22Å; K313-D386 WeakPolarHBondContact CB-OD1 3.4Å; K313-D386 WeakPolarHBondContact CD-OD1 3.21Å; K313-D386 WeakPolarHBondContact CE-OD1 3.41Å; K313-F387 WeakPolarHBondContact CE-O 3.48Å; K313-L411 HydrophobicContact CB-CD2 4.36Å; K313-L411 HydrophobicContact CG-CB 4.46Å; K313-L411 HydrophobicContact CG-CD1 4.37Å; K313-L411 HydrophobicContact CG-CD2 3.95Å |
| 314 | T | 86.7 | Confident | 81.3 | Confident | 51 Ų | 51 | 35.9 Ų | 35.9 | 31% | 0.313 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64.1 | -30 | -178.4 | -42.4 | 0 | 0 | 0 | 0 | 112.5 | G312 T317 H318 T371 D386 | G312-T314 PolarHBondContact O-N 3.04Å; T314-T317 PolarHBondContact O-OG1 2.91Å; T314-H318 PolarHBondContact O-N 2.89Å; T314-T371 PolarHBondContact OG1-OG1 3.04Å; T314-T371 VanDerWaalsContact OG1-OG1 3.1Å; T314-D386 WeakPolarHBondContact CA-OD2 3.48Å; T314-D386 PolarHBondContact N-OD2 3.01Å; T314-D386 PolarHBondContact OG1-OD2 3.46Å |
| 315 | Q | 86.5 | Confident | 78.6 | Confident | 79 Ų | 79 | 43.2 Ų | 43.2 | 37% | 0.369 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -70.4 | -40.2 | 172.8 | -167.9 | 60.3 | 37.8 | 0 | 0 | 111.2 | G312 K313 H318 S319 A505 R506 | G312-Q315 PolarHBondContact O-N 3.38Å; K313-Q315 PolarHBondContact O-N 2.85Å; Q315-H318 PolarHBondContact O-N 3.27Å; Q315-S319 PolarHBondContact O-N 2.96Å; Q315-S319 PolarHBondContact O-OG 3.43Å; Q315-A505 HydrophobicContact CB-CB 4.16Å; Q315-A505 HydrophobicContact CG-CB 4.06Å; Q315-A505 WeakPolarHBondContact CG-O 3.39Å; Q315-R506 HydrophobicContact CG-CG 3.82Å |
| 316 | L | 88.6 | Confident | 76.1 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 173.9 | -178 | 64.1 | 0 | 0 | 0 | 111.3 | L305 G312 K313 H318 S319 L320 L411 V457 L503 A505 M513 | L305-L316 HydrophobicContact CD2-CB 4.43Å; L305-L316 HydrophobicContact CD2-CD2 3.97Å; L305-L316 HydrophobicContact CD2-CG 4.38Å; G312-L316 PolarHBondContact O-N 3.07Å; K313-L316 CarbonylContact O-C 3.58Å; K313-L316 WeakPolarHBondContact O-CA 3.1Å; K313-L316 VanDerWaalsContact O-CB 3.3Å; K313-L316 WeakPolarHBondContact O-CB 3.32Å; K313-L316 PolarHBondContact O-N 3.31Å; L316-H318 VanDerWaalsContact C-N 3.31Å; L316-H318 PolarHBondContact O-N 3.19Å; L316-S319 PolarHBondContact O-N 2.59Å; L316-L320 HydrophobicContact CD1-CG 4.45Å; L316-L320 HydrophobicContact CG-CD1 4.25Å; L316-L320 HydrophobicContact CG-CG 4.44Å; L316-L320 WeakPolarHBondContact O-CG 3.42Å; L316-L320 PolarHBondContact O-N 3.43Å; L316-L411 HydrophobicContact CB-CD2 4.22Å; L316-L411 HydrophobicContact CD2-CD1 4.21Å; L316-L411 HydrophobicContact CD2-CD2 3.66Å; L316-L411 HydrophobicContact CD2-CG 4.17Å; L316-V457 HydrophobicContact CD2-CG1 4.48Å; L316-L503 HydrophobicContact CD1-CD1 4.13Å; L316-L503 HydrophobicContact CD1-CD2 4.33Å; L316-A505 HydrophobicContact CB-CB 4.41Å; L316-M513 HydrophobicContact CD1-CE 3.54Å; L316-M513 HydrophobicContact CD1-SD 3.98Å |
| 317 | T | 86.3 | Confident | 73.4 | Confident | 4 Ų | 4 | 49.1 Ų | 49.1 | 3% | 0.025 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.4 | -45.8 | 176.5 | 70.4 | 0 | 0 | 0 | 0 | 110.8 | L305 K313 T314 S319 L320 Y321 L384 D386 | L305-T317 HydrophobicContact CD2-CG2 3.81Å; K313-T317 VanDerWaalsContact O-CG2 3.29Å; K313-T317 WeakPolarHBondContact O-CG2 3.44Å; K313-T317 PolarHBondContact O-N 2.93Å; T314-T317 PolarHBondContact O-OG1 2.91Å; T317-S319 PolarHBondContact O-N 3.04Å; T317-L320 PolarHBondContact O-N 3.33Å; T317-Y321 WeakPolarHBondContact O-CD2 3.45Å; T317-Y321 WeakPolarHBondContact O-CE2 2.84Å; T317-Y321 PolarHBondContact O-N 3.12Å; T317-L384 HydrophobicContact CG2-CD1 3.98Å; T317-L384 HydrophobicContact CG2-CD2 3.22Å; T317-L384 HydrophobicContact CG2-CG 4.24Å; T317-D386 HydrophobicContact CG2-CB 4.23Å |
| 318 | H | 79.6 | Confident | 71 | Confident | 64 Ų | 64 | 59.6 Ų | 59.6 | 30% | 0.296 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.8 | -45.8 | 176.2 | -176.7 | -87.7 | 0 | 0 | 0 | 112.1 | T314 Q315 L316 L320 Y321 T322 | T314-H318 PolarHBondContact O-N 2.89Å; Q315-H318 PolarHBondContact O-N 3.27Å; L316-H318 VanDerWaalsContact C-N 3.31Å; L316-H318 PolarHBondContact O-N 3.19Å; H318-L320 PolarHBondContact O-N 2.79Å; H318-Y321 WeakPolarHBondContact O-CA 3.42Å; H318-Y321 WeakPolarHBondContact O-CB 3.36Å; H318-Y321 PolarHBondContact O-N 3.3Å; H318-T322 PolarHBondContact O-N 3.21Å |
| 319 | S | 84.4 | Confident | 68.7 | Low | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.007 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -68.9 | -31.9 | -179.1 | -73.8 | 0 | 0 | 0 | 0 | 114 | Q315 L316 T317 Y321 T322 A505 K517 | Q315-S319 PolarHBondContact O-N 2.96Å; Q315-S319 PolarHBondContact O-OG 3.43Å; L316-S319 PolarHBondContact O-N 2.59Å; T317-S319 PolarHBondContact O-N 3.04Å; S319-Y321 PolarHBondContact O-N 2.63Å; S319-T322 PolarHBondContact O-N 3.33Å; S319-T322 PolarHBondContact O-OG1 2.93Å; S319-A505 VanDerWaalsContact CB-O 3.23Å; S319-A505 WeakPolarHBondContact CB-O 3.47Å; S319-A505 PolarHBondContact OG-O 3.12Å; S319-K517 PolarHBondContact O-NZ 2.86Å |
| 320 | L | 82.6 | Confident | 66.5 | Low | 30 Ų | 30 | 67.6 Ų | 67.6 | 16% | 0.157 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.1 | -32 | 169.7 | -72.7 | 170.7 | 0 | 0 | 0 | 111.4 | L303 L316 T317 H318 L384 M513 K517 L520 | L303-L320 HydrophobicContact CD2-CD1 4.07Å; L316-L320 HydrophobicContact CD1-CG 4.45Å; L316-L320 HydrophobicContact CG-CD1 4.25Å; L316-L320 HydrophobicContact CG-CG 4.44Å; L316-L320 WeakPolarHBondContact O-CG 3.42Å; L316-L320 PolarHBondContact O-N 3.43Å; T317-L320 PolarHBondContact O-N 3.33Å; H318-L320 PolarHBondContact O-N 2.79Å; L320-L384 HydrophobicContact CD1-CD1 3.93Å; L320-M513 HydrophobicContact CD2-SD 4.04Å; L320-K517 HydrophobicContact CD2-CG 4.04Å; L320-K517 WeakPolarHBondContact O-CE 3.18Å; L320-L520 HydrophobicContact CD2-CD1 4.24Å |
| 321 | Y | 71.5 | Confident | 64.3 | Low | 58 Ų | 58 | 69.9 Ų | 69.9 | 23% | 0.227 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -88.7 | -10.7 | 178.6 | -62.4 | -49.6 | 0 | 0 | 0 | 116.2 | T317 H318 S319 G323 H377 T379 L384 | T317-Y321 WeakPolarHBondContact O-CD2 3.45Å; T317-Y321 WeakPolarHBondContact O-CE2 2.84Å; T317-Y321 PolarHBondContact O-N 3.12Å; H318-Y321 WeakPolarHBondContact O-CA 3.42Å; H318-Y321 WeakPolarHBondContact O-CB 3.36Å; H318-Y321 PolarHBondContact O-N 3.3Å; S319-Y321 PolarHBondContact O-N 2.63Å; Y321-G323 PolarHBondContact O-N 3.28Å; Y321-H377 HydrophobicContact CE2-CB 4.04Å; Y321-H377 WeakPolarHBondContact OH-CB 2.89Å; Y321-T379 HydrophobicContact CD1-CG2 3.65Å; Y321-T379 HydrophobicContact CE1-CG2 3.02Å; Y321-L384 HydrophobicContact CE2-CD1 4.45Å; Y321-L384 VanDerWaalsContact OH-CB 3.24Å; Y321-L384 WeakPolarHBondContact OH-CB 3.34Å |
| 322 | T | 58.6 | Low | 61.7 | Low | 46 Ų | 46 | 78.7 Ų | 78.7 | 28% | 0.282 | 41% | 0.41 | S | S | . | . | trans | -70.2 | 100.9 | 177.1 | 54.3 | 0 | 0 | 0 | 0 | 111.2 | H318 S319 | H318-T322 PolarHBondContact O-N 3.21Å; S319-T322 PolarHBondContact O-N 3.33Å; S319-T322 PolarHBondContact O-OG1 2.93Å | ||
| 323 | G | 51 | Low | 59.2 | Low | 41 Ų | 41 | 81 Ų | 81 | 42% | 0.423 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -141.1 | 175 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y321 I325 S326 | Y321-G323 PolarHBondContact O-N 3.28Å; G323-I325 PolarHBondContact O-N 3.04Å; G323-S326 PolarHBondContact O-N 2.95Å |
| 324 | P | 39.6 | Very low | 56.5 | Low | 142 Ų | 142 | 84 Ų | 84 | 92% | 0.922 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | 5 | -162.6 | 21.9 | -31.8 | 0 | 0 | 0 | 117.3 | ||
| 325 | I | 35.5 | Very low | 54 | Low | 155 Ų | 155 | 86.7 Ų | 86.7 | 80% | 0.795 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.2 | 0.7 | -171.3 | -56.1 | 167.4 | 0 | 0 | 0 | 113.3 | G323 A327 | G323-I325 PolarHBondContact O-N 3.04Å; I325-A327 VanDerWaalsContact C-N 3.29Å; I325-A327 PolarHBondContact O-N 2.95Å |
| 326 | S | 41.6 | Very low | 51.4 | Low | 39 Ų | 39 | 86.3 Ų | 86.3 | 27% | 0.273 | 46% | 0.457 | S | S | . | . | G | 310 helix | trans | -78.1 | 19.6 | -167.5 | 83.1 | 0 | 0 | 0 | 0 | 118.3 | G323 Y328 L329 | G323-S326 PolarHBondContact O-N 2.95Å; S326-Y328 PolarHBondContact O-N 3.23Å; S326-Y328 VanDerWaalsContact O-N 3.12Å; S326-L329 PolarHBondContact O-N 3.04Å |
| 327 | A | 38.3 | Very low | 48.6 | Very low | 85 Ų | 85 | 89.7 Ų | 89.7 | 70% | 0.702 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -62.8 | -22.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | I325 | I325-A327 VanDerWaalsContact C-N 3.29Å; I325-A327 PolarHBondContact O-N 2.95Å |
| 328 | Y | 39.6 | Very low | 45.9 | Very low | 221 Ų | 221 | 95.6 Ų | 95.6 | 87% | 0.867 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -82 | -27.6 | -177.4 | -152.5 | -97.1 | 0 | 0 | 0 | 113.8 | S326 | S326-Y328 PolarHBondContact O-N 3.23Å; S326-Y328 VanDerWaalsContact O-N 3.12Å |
| 329 | L | 39.3 | Very low | 43.5 | Very low | 96 Ų | 96 | 100.1 Ų | 100.1 | 50% | 0.503 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -24.5 | -179.3 | -84.4 | 158 | 0 | 0 | 0 | 113.2 | S326 K331 K332 L333 | S326-L329 PolarHBondContact O-N 3.04Å; L329-K331 PolarHBondContact O-N 3.44Å; L329-K331 VanDerWaalsContact O-N 3.13Å; L329-K332 PolarHBondContact O-N 3.46Å; L329-L333 HydrophobicContact CD2-CD1 4.27Å |
| 330 | K | 38.4 | Very low | 41.1 | Very low | 139 Ų | 139 | 104.5 Ų | 104.5 | 60% | 0.604 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -55.8 | -30.1 | 175 | -92.8 | -176 | 173.7 | -178.2 | 0 | 113.3 | T334 | K330-T334 WeakPolarHBondContact O-CG2 3.46Å; K330-T334 PolarHBondContact O-N 3.03Å |
| 331 | K | 38 | Very low | 38.4 | Very low | 187 Ų | 187 | 106 Ų | 106 | 81% | 0.813 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -77.3 | -18.5 | -176.5 | -94.2 | -176.6 | 175.2 | 179.8 | 0 | 115.7 | L329 | L329-K331 PolarHBondContact O-N 3.44Å; L329-K331 VanDerWaalsContact O-N 3.13Å |
| 332 | K | 32.8 | Very low | 36.3 | Very low | 187 Ų | 187 | 110 Ų | 110 | 81% | 0.813 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -102.1 | -11 | -179.3 | -139.1 | 179.6 | -176.8 | -175.4 | 0 | 113.1 | L329 | L329-K332 PolarHBondContact O-N 3.46Å |
| 333 | L | 33.8 | Very low | 34.8 | Very low | 66 Ų | 66 | 114.6 Ų | 114.6 | 35% | 0.346 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -114.8 | -6.8 | -172.9 | -85.2 | 141.6 | 0 | 0 | 0 | 114.1 | L329 T335 V336 | L329-L333 HydrophobicContact CD2-CD1 4.27Å; L333-T335 PolarHBondContact O-N 3.02Å; L333-V336 PolarHBondContact O-N 3Å |
| 334 | T | 33.2 | Very low | 33.5 | Very low | 72 Ų | 72 | 115 Ų | 115 | 44% | 0.442 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -62.4 | -9.6 | 174.8 | 41.2 | 0 | 0 | 0 | 0 | 114.2 | K330 V336 | K330-T334 WeakPolarHBondContact O-CG2 3.46Å; K330-T334 PolarHBondContact O-N 3.03Å; T334-V336 VanDerWaalsContact C-N 3.32Å |
| 335 | T | 34 | Very low | 32.7 | Very low | 109 Ų | 109 | 118 Ų | 118 | 67% | 0.669 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -78.5 | -13 | 172.8 | 50.3 | 0 | 0 | 0 | 0 | 113.7 | L333 N369 | L333-T335 PolarHBondContact O-N 3.02Å; T335-N369 PolarHBondContact O-ND2 3.39Å; T335-N369 VanDerWaalsContact O-ND2 3.08Å |
| 336 | V | 32.6 | Very low | 32.2 | Very low | 70 Ų | 70 | 116.7 Ų | 116.7 | 42% | 0.424 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -104.1 | -25.4 | -179.9 | -178.7 | 0 | 0 | 0 | 0 | 112.4 | L333 T334 N369 | L333-V336 PolarHBondContact O-N 3Å; T334-V336 VanDerWaalsContact C-N 3.32Å; V336-N369 HydrophobicContact CG1-CB 4.21Å; V336-N369 HydrophobicContact CG2-CB 4.33Å |
| 337 | S | 29 | Very low | 31.4 | Very low | 72 Ų | 72 | 117.6 Ų | 117.6 | 50% | 0.503 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -82.5 | -18.3 | -172.2 | 55.1 | 0 | 0 | 0 | 0 | 116 | F339 | S337-F339 VanDerWaalsContact C-N 3.31Å; S337-F339 PolarHBondContact O-N 3.17Å |
| 338 | D | 29.5 | Very low | 30.9 | Very low | 127 Ų | 127 | 118.6 Ų | 118.6 | 68% | 0.679 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -2.5 | -169.7 | -74 | -2.8 | 0 | 0 | 0 | 114.6 | ||
| 339 | F | 31.1 | Very low | 30.3 | Very low | 160 Ų | 160 | 115 Ų | 115 | 70% | 0.702 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.7 | -5.7 | -175.5 | -105.5 | -87.3 | 0 | 0 | 0 | 116.3 | S337 G341 | S337-F339 VanDerWaalsContact C-N 3.31Å; S337-F339 PolarHBondContact O-N 3.17Å; F339-G341 PolarHBondContact O-N 3.09Å |
| 340 | A | 32.4 | Very low | 29.7 | Very low | 93 Ų | 93 | 114.8 Ų | 114.8 | 77% | 0.769 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | 1.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 341 | G | 27.1 | Very low | 29.3 | Very low | 62 Ų | 62 | 111.2 Ų | 111.2 | 64% | 0.639 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | 0.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | F339 | F339-G341 PolarHBondContact O-N 3.09Š|
| 342 | L | 26.4 | Very low | 28.7 | Very low | 141 Ų | 141 | 108.3 Ų | 108.3 | 74% | 0.738 | 63% | 0.634 | S | S | * | * | trans | -105.6 | 79.4 | 172.3 | -73.1 | 170.6 | 0 | 0 | 0 | 110 | G344 | L342-G344 PolarHBondContact O-N 2.9Š| ||
| 343 | T | 26.7 | Very low | 28.5 | Very low | 142 Ų | 142 | 109.3 Ų | 109.3 | 87% | 0.871 | 63% | 0.634 | S | S | * | * | trans | -64.9 | 71.4 | 150.5 | 53.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 344 | G | 25 | Very low | 28.3 | Very low | 50 Ų | 50 | 114.3 Ų | 114.3 | 52% | 0.515 | 65% | 0.649 | S | S | . | * | trans | -86.2 | 136.6 | 155.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | L342 V346 | L342-G344 PolarHBondContact O-N 2.9Å; G344-V346 PolarHBondContact O-N 3.05Å | ||
| 345 | E | 23.2 | Very low | 27.9 | Very low | 204 Ų | 204 | 118.9 Ų | 118.9 | 95% | 0.953 | 67% | 0.665 | S | S | * | * | trans | -43 | 90.2 | -178.6 | -63.9 | 176.6 | 147.2 | 0 | 0 | 113.4 | S347 | E345-S347 PolarHBondContact O-N 2.99Å; E345-S347 VanDerWaalsContact O-N 3.12Å | ||
| 346 | V | 25.1 | Very low | 27.5 | Very low | 128 Ų | 128 | 121.6 Ų | 121.6 | 78% | 0.776 | 67% | 0.67 | S | S | * | * | trans | -76.7 | 102 | 163.1 | -179 | 0 | 0 | 0 | 0 | 105.7 | G344 | G344-V346 PolarHBondContact O-N 3.05Š| ||
| 347 | S | 25 | Very low | 27.2 | Very low | 59 Ų | 59 | 125.3 Ų | 125.3 | 41% | 0.413 | 68% | 0.677 | S | S | . | * | trans | -45.3 | 150.3 | 171.1 | 74.6 | 0 | 0 | 0 | 0 | 111.2 | E345 K349 | E345-S347 PolarHBondContact O-N 2.99Å; E345-S347 VanDerWaalsContact O-N 3.12Å; S347-K349 PolarHBondContact O-N 3Å | ||
| 348 | P | 26.5 | Very low | 27.3 | Very low | 105 Ų | 105 | 126.4 Ų | 126.4 | 68% | 0.682 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 44.8 | 178.4 | 33.7 | -36.2 | 0 | 0 | 0 | 111.9 | S351 | P348-S351 PolarHBondContact O-OG 2.73Š|
| 349 | K | 26.4 | Very low | 27.6 | Very low | 145 Ų | 145 | 127 Ų | 127 | 63% | 0.63 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | -7.9 | 177.6 | -72.3 | -174.8 | 175.5 | -179.8 | 0 | 113.4 | S347 S351 L352 | S347-K349 PolarHBondContact O-N 3Å; K349-S351 PolarHBondContact O-N 3.24Å; K349-L352 PolarHBondContact O-N 3.17Å |
| 350 | S | 28.3 | Very low | 27.5 | Very low | 93 Ų | 93 | 125.3 Ų | 125.3 | 65% | 0.65 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -9.3 | 167.9 | 60.3 | 0 | 0 | 0 | 0 | 113.5 | ||
| 351 | S | 28.9 | Very low | 27.7 | Very low | 64 Ų | 64 | 128.3 Ų | 128.3 | 45% | 0.448 | 66% | 0.663 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88 | -14.5 | 171.6 | 59.9 | 0 | 0 | 0 | 0 | 113.7 | P348 K349 | P348-S351 PolarHBondContact O-OG 2.73Å; K349-S351 PolarHBondContact O-N 3.24Å |
| 352 | L | 25.8 | Very low | 27.9 | Very low | 126 Ų | 126 | 132 Ų | 132 | 66% | 0.66 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -92.4 | -13.5 | -174 | -82.1 | 161.1 | 0 | 0 | 0 | 114.7 | K349 | K349-L352 PolarHBondContact O-N 3.17Š|
| 353 | Y | 28.2 | Very low | 28.3 | Very low | 208 Ų | 208 | 131.6 Ų | 131.6 | 82% | 0.816 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -101.6 | -4.6 | 173.4 | -74.8 | -83 | 0 | 0 | 0 | 114.4 | H355 | Y353-H355 VanDerWaalsContact C-N 3.33Å; Y353-H355 PolarHBondContact O-N 3.22Å |
| 354 | R | 29.7 | Very low | 28.6 | Very low | 171 Ų | 171 | 131 Ų | 131 | 65% | 0.645 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -8.1 | 175.6 | -98.3 | -176.8 | -164.9 | -169.6 | 2.9 | 114.7 | D416 | R354-D416 IonicContact NH1-OD1 2.76Š|
| 355 | H | 25.2 | Very low | 29.2 | Very low | 168 Ų | 168 | 130.3 Ų | 130.3 | 78% | 0.778 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112 | 8.3 | -168.4 | -78.4 | -51.8 | 0 | 0 | 0 | 116.4 | Y353 | Y353-H355 VanDerWaalsContact C-N 3.33Å; Y353-H355 PolarHBondContact O-N 3.22Å |
| 356 | Q | 26.1 | Very low | 29.8 | Very low | 165 Ų | 165 | 128.1 Ų | 128.1 | 77% | 0.771 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -131.1 | -4.3 | 177.8 | -84.1 | -177.1 | -12.8 | 0 | 0 | 117.5 | ||
| 357 | Y | 26.7 | Very low | 30.8 | Very low | 149 Ų | 149 | 128.6 Ų | 128.6 | 58% | 0.584 | 63% | 0.626 | S | S | * | * | trans | -142 | 107.8 | 169.1 | -67.2 | -79.7 | 0 | 0 | 0 | 109.1 | Y359 | Y357-Y359 PolarHBondContact O-N 2.89Š| ||
| 358 | P | 30.4 | Very low | 32 | Very low | 94 Ų | 94 | 132.3 Ų | 132.3 | 61% | 0.61 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -65.6 | -22.1 | -174.7 | -20.9 | 32.3 | 0 | 0 | 0 | 113.6 | ||
| 359 | Y | 35.1 | Very low | 33.6 | Very low | 141 Ų | 141 | 131 Ų | 131 | 55% | 0.553 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -154.7 | 92.3 | 174.2 | -61.4 | -78.9 | 0 | 0 | 0 | 109.3 | Y357 Y934 | Y357-Y359 PolarHBondContact O-N 2.89Å; Y359-Y934 HydrophobicContact CD2-CE1 4.46Å |
| 360 | M | 29.3 | Very low | 35.9 | Very low | 124 Ų | 124 | 126.2 Ų | 126.2 | 61% | 0.611 | 60% | 0.602 | S | S | * | * | trans | -146.5 | 133.7 | 163.4 | -158 | 166 | 74.8 | 0 | 0 | 108.6 | D362 | M360-D362 PolarHBondContact O-N 2.96Å; M360-D362 VanDerWaalsContact O-N 3.1Å | ||
| 361 | W | 36.2 | Very low | 38.5 | Very low | 155 Ų | 155 | 122.9 Ų | 122.9 | 59% | 0.587 | 58% | 0.578 | S | S | * | * | trans | -85.1 | 73.5 | -159.3 | -57.1 | -10.9 | 0 | 0 | 0 | 113.2 | L913 | W361-L913 HydrophobicContact CH2-CD2 4.14Å; W361-L913 HydrophobicContact CZ3-CD2 4.3Å | ||
| 362 | D | 31.6 | Very low | 41.1 | Very low | 139 Ų | 139 | 122.8 Ų | 122.8 | 74% | 0.743 | 57% | 0.57 | S | S | * | * | trans | -113.1 | 65.3 | 160.3 | -66.7 | -32.5 | 0 | 0 | 0 | 108.4 | M360 | M360-D362 PolarHBondContact O-N 2.96Å; M360-D362 VanDerWaalsContact O-N 3.1Å | ||
| 363 | I | 34.3 | Very low | 43.9 | Very low | 133 Ų | 133 | 116.8 Ų | 116.8 | 68% | 0.682 | 54% | 0.539 | S | S | * | . | trans | -98.3 | 91.1 | 148.6 | -59.3 | 175.5 | 0 | 0 | 0 | 103.1 | A365 | I363-A365 VanDerWaalsContact C-N 3.31Å; I363-A365 PolarHBondContact O-N 2.92Å | ||
| 364 | E | 34.3 | Very low | 46.9 | Very low | 129 Ų | 129 | 106.9 Ų | 106.9 | 60% | 0.603 | 50% | 0.5 | S | S | * | . | trans | -53.9 | 106.2 | 158.7 | -72.4 | 177.1 | 151.1 | 0 | 0 | 105.6 | E366 | E364-E366 HydrophobicContact CB-CG 4.17Å; E364-E366 PolarHBondContact O-N 2.9Å | ||
| 365 | A | 37.6 | Very low | 49.8 | Very low | 36 Ų | 36 | 100.5 Ų | 100.5 | 30% | 0.298 | 48% | 0.479 | S | S | . | . | trans | -74.8 | 66.2 | 173 | 0 | 0 | 0 | 0 | 0 | 108.3 | I363 H367 Y370 E644 | I363-A365 VanDerWaalsContact C-N 3.31Å; I363-A365 PolarHBondContact O-N 2.92Å; A365-H367 PolarHBondContact O-N 2.9Å; A365-H367 VanDerWaalsContact O-N 3.15Å; A365-Y370 HydrophobicContact CB-CE1 4.46Å; A365-E644 WeakPolarHBondContact CB-OE2 3.42Å | ||
| 366 | E | 35.5 | Very low | 52.8 | Low | 158 Ų | 158 | 92.8 Ų | 92.8 | 74% | 0.738 | 44% | 0.443 | S | S | * | . | trans | -66.9 | -6.6 | 170.5 | -70 | -162.9 | 142.8 | 0 | 0 | 112 | E364 E368 | E364-E366 HydrophobicContact CB-CG 4.17Å; E364-E366 PolarHBondContact O-N 2.9Å; E366-E368 PolarHBondContact O-N 2.77Å | ||
| 367 | H | 45.6 | Very low | 55.7 | Low | 139 Ų | 139 | 87.2 Ų | 87.2 | 64% | 0.644 | 42% | 0.417 | S | S | * | . | trans | -88.6 | 102.3 | 174 | -69.5 | -49.6 | 0 | 0 | 0 | 111.5 | A365 N369 | A365-H367 PolarHBondContact O-N 2.9Å; A365-H367 VanDerWaalsContact O-N 3.15Å; H367-N369 PolarHBondContact O-N 3.48Å | ||
| 368 | E | 50 | Low | 58.3 | Low | 136 Ų | 136 | 84.3 Ų | 84.3 | 64% | 0.636 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -8.4 | 176.5 | -60.5 | -161.9 | 118.5 | 0 | 0 | 115.2 | E366 R645 | E366-E368 PolarHBondContact O-N 2.77Å; E368-R645 IonicContact OE1-CZ 3.61Å; E368-R645 IonicContact OE1-NH2 2.74Å; E368-R645 PolarHBondContact OE1-NH2 2.96Å |
| 369 | N | 61.3 | Low | 60.8 | Low | 77 Ų | 77 | 81.7 Ų | 81.7 | 41% | 0.412 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117 | 34 | -164.4 | -72 | -18.2 | 0 | 0 | 0 | 114.9 | T335 V336 H367 | T335-N369 PolarHBondContact O-ND2 3.39Å; T335-N369 VanDerWaalsContact O-ND2 3.08Å; V336-N369 HydrophobicContact CG1-CB 4.21Å; V336-N369 HydrophobicContact CG2-CB 4.33Å; H367-N369 PolarHBondContact O-N 3.48Å |
| 370 | Y | 74.6 | Confident | 62.9 | Low | 45 Ų | 45 | 81.8 Ų | 81.8 | 18% | 0.176 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -89.6 | 155.9 | 172.5 | 74.9 | -89.6 | 0 | 0 | 0 | 112.4 | A365 H372 Y393 | A365-Y370 HydrophobicContact CB-CE1 4.46Å; Y370-H372 AromaticContact CE1-CE1 3.81Å; Y370-H372 AromaticContact CE2-CE1 3.94Å; Y370-H372 AromaticContact CE2-ND1 3.64Å; Y370-H372 AromaticContact CZ-CE1 3.48Å; Y370-H372 VanDerWaalsContact CZ-CE1 3.48Å; Y370-H372 AromaticContact CZ-ND1 3.58Å; Y370-H372 PolarHBondContact O-N 3.05Å; Y370-Y393 HydrophobicContact CE2-CE2 4.22Å |
| 371 | T | 82.5 | Confident | 65.4 | Low | 24 Ų | 24 | 80 Ų | 80 | 15% | 0.147 | 39% | 0.394 | C | S | . | . | trans | -65 | 115.3 | 177.6 | -44.7 | 0 | 0 | 0 | 0 | 111 | T314 D375 S388 | T314-T371 PolarHBondContact OG1-OG1 3.04Å; T314-T371 VanDerWaalsContact OG1-OG1 3.1Å; T371-D375 HydrophobicContact CG2-CB 3.73Å; T371-S388 WeakPolarHBondContact O-CB 3.24Å; T371-S388 PolarHBondContact O-OG 3.49Å | ||
| 372 | H | 82.3 | Confident | 67.9 | Low | 61 Ų | 61 | 73.7 Ų | 73.7 | 28% | 0.282 | 37% | 0.37 | S | S | . | . | trans | -79.7 | 118.3 | 175.5 | -69.4 | -67.1 | 0 | 0 | 0 | 111.1 | Y370 I374 S635 | Y370-H372 AromaticContact CE1-CE1 3.81Å; Y370-H372 AromaticContact CE2-CE1 3.94Å; Y370-H372 AromaticContact CE2-ND1 3.64Å; Y370-H372 AromaticContact CZ-CE1 3.48Å; Y370-H372 VanDerWaalsContact CZ-CE1 3.48Å; Y370-H372 AromaticContact CZ-ND1 3.58Å; Y370-H372 PolarHBondContact O-N 3.05Å; H372-I374 PolarHBondContact O-N 3.03Å; H372-I374 VanDerWaalsContact O-N 3.11Å; H372-S635 WeakPolarHBondContact O-CA 3.42Å | ||
| 373 | G | 86.7 | Confident | 70.7 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 33% | 0.334 | C | S | . | . | S | Bend | trans | 64 | -109.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | S388 Y393 Y397 | G373-S388 WeakPolarHBondContact O-CB 3.45Å; G373-S388 PolarHBondContact O-N 3.46Å; G373-Y393 VanDerWaalsContact N-CZ 3.35Å; G373-Y397 PolarHBondContact O-OH 3.39Å |
| 374 | I | 91 | Very high | 73.4 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 122.4 | 176.2 | -48.5 | 160.7 | 0 | 0 | 0 | 108 | H372 V376 W385 D386 F387 F396 Y397 F400 C634 S635 | H372-I374 PolarHBondContact O-N 3.03Å; H372-I374 VanDerWaalsContact O-N 3.11Å; I374-V376 HydrophobicContact CG2-CG2 4.37Å; I374-W385 HydrophobicContact CG2-CB 4.26Å; I374-W385 HydrophobicContact CG2-CE3 3.83Å; I374-D386 WeakPolarHBondContact CA-O 3.22Å; I374-D386 WeakPolarHBondContact CG2-O 3.4Å; I374-F387 HydrophobicContact CD1-CD1 3.68Å; I374-F387 HydrophobicContact CD1-CE1 3.42Å; I374-F387 VanDerWaalsContact CD1-CE1 3.42Å; I374-F387 HydrophobicContact CD1-CZ 4.14Å; I374-F387 HydrophobicContact CG1-CD1 3.69Å; I374-F387 HydrophobicContact CG1-CE1 3.97Å; I374-F387 HydrophobicContact CG1-CG 4.25Å; I374-F387 HydrophobicContact CG2-CD1 4.33Å; I374-F387 HydrophobicContact CG2-CD2 4.23Å; I374-F387 HydrophobicContact CG2-CE1 4.45Å; I374-F387 HydrophobicContact CG2-CE2 4.33Å; I374-F387 HydrophobicContact CG2-CG 4.22Å; I374-F387 HydrophobicContact CG2-CZ 4.44Å; I374-F396 HydrophobicContact CD1-CE2 4.07Å; I374-F396 HydrophobicContact CG1-CE2 4.34Å; I374-Y397 HydrophobicContact CD1-CD1 4Å; I374-Y397 HydrophobicContact CD1-CE1 4.03Å; I374-Y397 HydrophobicContact CG1-CD1 4.2Å; I374-Y397 HydrophobicContact CG1-CE1 3.71Å; I374-F400 HydrophobicContact CD1-CB 3.96Å; I374-F400 HydrophobicContact CD1-CD2 3.59Å; I374-F400 HydrophobicContact CD1-CE2 4.25Å; I374-F400 HydrophobicContact CD1-CG 3.81Å; I374-C634 HydrophobicContact CB-CB 3.93Å; I374-C634 CarbonylContact O-C 3.54Å; I374-C634 WeakPolarHBondContact O-CB 3.46Å; I374-S635 PolarHBondContact O-N 3.47Å |
| 375 | D | 89.7 | Confident | 76.1 | Confident | 38 Ų | 38 | 54.8 Ų | 54.8 | 20% | 0.203 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 130 | 174.2 | -164.1 | 3.6 | 0 | 0 | 0 | 109.6 | T371 H377 D386 N631 | T371-D375 HydrophobicContact CG2-CB 3.73Å; D375-H377 VanDerWaalsContact CG-CE1 3.42Å; D375-H377 IonicContact OD1-CE1 2.89Å; D375-H377 PolarHBondContact OD1-CE1 2.93Å; D375-H377 IonicContact OD1-ND1 3.5Å; D375-H377 IonicContact OD2-CE1 3.91Å; D375-H377 PolarHBondContact OD2-CE1 3Å; D375-H377 IonicContact OD2-NE2 3Å; D375-H377 PolarHBondContact OD2-NE2 3.48Å; D375-D386 HydrophobicContact CB-CB 4.46Å; D375-D386 PolarHBondContact N-O 3.21Å; D375-D386 PolarHBondContact O-N 2.87Å; D375-N631 PolarHBondContact OD1-ND2 3.22Å; D375-N631 PolarHBondContact OD1-OD1 3Å; D375-N631 VanDerWaalsContact OD1-OD1 3.12Å |
| 376 | V | 88.4 | Confident | 78.8 | Confident | 5 Ų | 5 | 53.1 Ų | 53.1 | 3% | 0.03 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 119.1 | -176.4 | -175.8 | 0 | 0 | 0 | 0 | 109.7 | I374 L384 W385 N631 | I374-V376 HydrophobicContact CG2-CG2 4.37Å; V376-L384 WeakPolarHBondContact CA-O 3.37Å; V376-W385 HydrophobicContact CG1-CD2 4.41Å; V376-W385 HydrophobicContact CG1-CZ2 4.26Å; V376-W385 HydrophobicContact CG2-CD2 3.75Å; V376-W385 HydrophobicContact CG2-CE3 3.71Å; V376-W385 HydrophobicContact CG2-CG 4.32Å; V376-W385 HydrophobicContact CG2-CH2 4.06Å; V376-W385 HydrophobicContact CG2-CZ2 4.16Å; V376-W385 HydrophobicContact CG2-CZ3 3.85Å; V376-N631 HydrophobicContact CB-CB 3.9Å; V376-N631 PolarHBondContact N-OD1 3.1Å; V376-N631 PolarHBondContact O-ND2 2.98Å |
| 377 | H | 86.3 | Confident | 81.5 | Confident | 48 Ų | 48 | 45.6 Ų | 45.6 | 22% | 0.222 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 122.1 | 177.2 | -61.2 | -44.1 | 0 | 0 | 0 | 110.3 | Y321 D375 L384 | Y321-H377 HydrophobicContact CE2-CB 4.04Å; Y321-H377 WeakPolarHBondContact OH-CB 2.89Å; D375-H377 VanDerWaalsContact CG-CE1 3.42Å; D375-H377 IonicContact OD1-CE1 2.89Å; D375-H377 PolarHBondContact OD1-CE1 2.93Å; D375-H377 IonicContact OD1-ND1 3.5Å; D375-H377 IonicContact OD2-CE1 3.91Å; D375-H377 PolarHBondContact OD2-CE1 3Å; D375-H377 IonicContact OD2-NE2 3Å; D375-H377 PolarHBondContact OD2-NE2 3.48Å; H377-L384 HydrophobicContact CB-CB 4.44Å; H377-L384 PolarHBondContact N-O 3.37Å; H377-L384 PolarHBondContact O-N 3.42Å |
| 378 | I | 82.7 | Confident | 83.6 | Confident | 88 Ų | 88 | 39.1 Ų | 39.1 | 45% | 0.451 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 125.5 | -178.5 | -50.7 | -174.3 | 0 | 0 | 0 | 109.1 | T383 | I378-T383 HydrophobicContact CB-CG2 4.28Å; I378-T383 HydrophobicContact CG1-CG2 4.02Å; I378-T383 HydrophobicContact CG2-CG2 3.97Å |
| 379 | T | 81 | Confident | 85.3 | Confident | 40 Ų | 40 | 33 Ų | 33 | 25% | 0.245 | 17% | 0.168 | C | C | . | . | trans | -125.6 | -178.5 | 168.7 | 60.9 | 0 | 0 | 0 | 0 | 111.8 | R300 Y321 E381 Y382 | R300-T379 WeakPolarHBondContact CD-O 3.38Å; R300-T379 PolarHBondContact NH1-O 3.04Å; Y321-T379 HydrophobicContact CD1-CG2 3.65Å; Y321-T379 HydrophobicContact CE1-CG2 3.02Å; T379-E381 VanDerWaalsContact C-N 3.29Å; T379-E381 PolarHBondContact O-N 3.44Å; T379-Y382 PolarHBondContact N-O 3.14Å; T379-Y382 PolarHBondContact OG1-N 2.77Å; T379-Y382 PolarHBondContact OG1-O 2.91Å | ||
| 380 | N | 79.3 | Confident | 86.4 | Confident | 143 Ų | 143 | 31.5 Ų | 31.5 | 77% | 0.765 | 16% | 0.159 | S | C | * | . | S | Bend | trans | -65.6 | -34.8 | 178.3 | -68.2 | -2.5 | 0 | 0 | 0 | 112 | ||
| 381 | E | 82.6 | Confident | 86.6 | Confident | 86 Ų | 86 | 31.6 Ų | 31.6 | 40% | 0.402 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -102.4 | -34.8 | -172.4 | -58.7 | -163.9 | 134.6 | 0 | 0 | 113.5 | R300 I301 T379 R524 | R300-E381 WeakPolarHBondContact CA-O 3.21Å; I301-E381 PolarHBondContact N-O 2.62Å; T379-E381 VanDerWaalsContact C-N 3.29Å; T379-E381 PolarHBondContact O-N 3.44Å; E381-R524 IonicContact OE1-CZ 3.1Å; E381-R524 IonicContact OE1-NH1 3.4Å; E381-R524 PolarHBondContact OE1-NH1 2.96Å; E381-R524 VanDerWaalsContact OE1-NH1 3.08Å; E381-R524 IonicContact OE1-NH2 3.36Å; E381-R524 PolarHBondContact OE1-NH2 3.43Å; E381-R524 IonicContact OE2-CZ 3.08Å; E381-R524 IonicContact OE2-NH1 3.95Å; E381-R524 PolarHBondContact OE2-NH1 3.46Å |
| 382 | Y | 88.7 | Confident | 86.4 | Confident | 22 Ų | 22 | 30.9 Ų | 30.9 | 9% | 0.086 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 143.7 | -176.5 | -58.4 | -80.7 | 0 | 0 | 0 | 111.6 | I301 L303 T379 L520 T521 R524 | I301-Y382 HydrophobicContact CD1-CD1 4.48Å; I301-Y382 HydrophobicContact CD1-CE1 4.12Å; I301-Y382 HydrophobicContact CG1-CD1 3.84Å; I301-Y382 HydrophobicContact CG1-CE1 3.91Å; I301-Y382 VanDerWaalsContact O-CA 3.29Å; I301-Y382 WeakPolarHBondContact O-CA 3.46Å; L303-Y382 HydrophobicContact CB-CD1 4.02Å; L303-Y382 HydrophobicContact CB-CG 4.4Å; T379-Y382 PolarHBondContact N-O 3.14Å; T379-Y382 PolarHBondContact OG1-N 2.77Å; T379-Y382 PolarHBondContact OG1-O 2.91Å; Y382-L520 PolarHBondContact OH-O 3.3Å; Y382-T521 PolarHBondContact OH-N 2.92Å; Y382-R524 HydrophobicContact CE1-CB 4.19Å; Y382-R524 HydrophobicContact CE1-CG 4.34Å; Y382-R524 PolarHBondContact OH-NH1 2.91Å |
| 383 | T | 89.6 | Confident | 86.6 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 107 | 152.7 | 31.8 | 0 | 0 | 0 | 0 | 107.6 | I301 K302 L303 I378 W385 A589 | I301-T383 PolarHBondContact O-N 2.92Å; I301-T383 PolarHBondContact O-OG1 2.85Å; K302-T383 CarbonylContact C-O 3.55Å; K302-T383 VanDerWaalsContact CA-O 3.32Å; K302-T383 WeakPolarHBondContact CA-O 3.28Å; K302-T383 WeakPolarHBondContact CG-OG1 3.48Å; L303-T383 PolarHBondContact N-O 3.39Å; I378-T383 HydrophobicContact CB-CG2 4.28Å; I378-T383 HydrophobicContact CG1-CG2 4.02Å; I378-T383 HydrophobicContact CG2-CG2 3.97Å; T383-W385 VanDerWaalsContact O-CD1 3.27Å; T383-A589 WeakPolarHBondContact CB-O 3.49Å; T383-A589 WeakPolarHBondContact CG2-O 3.49Å; T383-A589 PolarHBondContact OG1-O 3.34Å |
| 384 | L | 91.5 | Very high | 86.6 | Confident | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 130.4 | -177 | -169.5 | 152.4 | 0 | 0 | 0 | 109.5 | L303 L305 T317 L320 Y321 V376 H377 D386 | L303-L384 HydrophobicContact CD2-CD1 4.24Å; L303-L384 CarbonylContact O-C 3.46Å; L303-L384 VanDerWaalsContact O-CA 3.31Å; L303-L384 WeakPolarHBondContact O-CA 3.43Å; L305-L384 HydrophobicContact CD1-CD1 3.94Å; L305-L384 HydrophobicContact CD1-CD2 3.66Å; L305-L384 HydrophobicContact CD1-CG 3.58Å; T317-L384 HydrophobicContact CG2-CD1 3.98Å; T317-L384 HydrophobicContact CG2-CD2 3.22Å; T317-L384 HydrophobicContact CG2-CG 4.24Å; L320-L384 HydrophobicContact CD1-CD1 3.93Å; Y321-L384 HydrophobicContact CE2-CD1 4.45Å; Y321-L384 VanDerWaalsContact OH-CB 3.24Å; Y321-L384 WeakPolarHBondContact OH-CB 3.34Å; V376-L384 WeakPolarHBondContact CA-O 3.37Å; H377-L384 HydrophobicContact CB-CB 4.44Å; H377-L384 PolarHBondContact N-O 3.37Å; H377-L384 PolarHBondContact O-N 3.42Å; L384-D386 HydrophobicContact CD2-CB 4.41Å |
| 385 | W | 92.4 | Very high | 86.2 | Confident | 3 Ų | 3 | 28.8 Ų | 28.8 | 1% | 0.011 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 110 | 178.6 | -65.8 | 63.2 | 0 | 0 | 0 | 109.1 | L303 K304 L305 I374 V376 T383 F387 F400 L593 P630 | L303-W385 PolarHBondContact O-N 3.47Å; K304-W385 HydrophobicContact CG-CB 4.12Å; K304-W385 HydrophobicContact CG-CG 4.38Å; L305-W385 PolarHBondContact N-O 3.24Å; I374-W385 HydrophobicContact CG2-CB 4.26Å; I374-W385 HydrophobicContact CG2-CE3 3.83Å; V376-W385 HydrophobicContact CG1-CD2 4.41Å; V376-W385 HydrophobicContact CG1-CZ2 4.26Å; V376-W385 HydrophobicContact CG2-CD2 3.75Å; V376-W385 HydrophobicContact CG2-CE3 3.71Å; V376-W385 HydrophobicContact CG2-CG 4.32Å; V376-W385 HydrophobicContact CG2-CH2 4.06Å; V376-W385 HydrophobicContact CG2-CZ2 4.16Å; V376-W385 HydrophobicContact CG2-CZ3 3.85Å; T383-W385 VanDerWaalsContact O-CD1 3.27Å; W385-F387 HydrophobicContact CB-CD2 4.19Å; W385-F387 HydrophobicContact CB-CE2 3.65Å; W385-F387 HydrophobicContact CE3-CZ 4.29Å; W385-F400 HydrophobicContact CE3-CB 4.31Å; W385-F400 HydrophobicContact CH2-CD1 4.02Å; W385-F400 HydrophobicContact CZ3-CB 3.98Å; W385-F400 AromaticContact CZ3-CD1 3.55Å; W385-F400 HydrophobicContact CZ3-CD1 3.55Å; W385-F400 HydrophobicContact CZ3-CE1 4.39Å; W385-F400 HydrophobicContact CZ3-CG 4.04Å; W385-L593 HydrophobicContact CH2-CD1 4.02Å; W385-L593 HydrophobicContact CH2-CD2 3.83Å; W385-L593 HydrophobicContact CH2-CG 4.23Å; W385-L593 HydrophobicContact CZ2-CD2 4.33Å; W385-P630 HydrophobicContact CH2-CB 3.88Å; W385-P630 HydrophobicContact CZ2-CB 4.15Å |
| 386 | D | 92.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 101 | 174.7 | -175.3 | 4.7 | 0 | 0 | 0 | 109.7 | K313 T314 T317 I374 D375 L384 | K313-D386 VanDerWaalsContact CB-OD1 3.22Å; K313-D386 WeakPolarHBondContact CB-OD1 3.4Å; K313-D386 WeakPolarHBondContact CD-OD1 3.21Å; K313-D386 WeakPolarHBondContact CE-OD1 3.41Å; T314-D386 WeakPolarHBondContact CA-OD2 3.48Å; T314-D386 PolarHBondContact N-OD2 3.01Å; T314-D386 PolarHBondContact OG1-OD2 3.46Å; T317-D386 HydrophobicContact CG2-CB 4.23Å; I374-D386 WeakPolarHBondContact CA-O 3.22Å; I374-D386 WeakPolarHBondContact CG2-O 3.4Å; D375-D386 HydrophobicContact CB-CB 4.46Å; D375-D386 PolarHBondContact N-O 3.21Å; D375-D386 PolarHBondContact O-N 2.87Å; L384-D386 HydrophobicContact CD2-CB 4.41Å |
| 387 | F | 92.9 | Very high | 86.1 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 121.3 | 178.9 | -71.6 | -104.1 | 0 | 0 | 0 | 110 | K304 L305 F306 K313 I374 W385 G389 Y397 F400 I401 | K304-F387 HydrophobicContact CB-CE2 3.96Å; K304-F387 HydrophobicContact CD-CE2 4.07Å; K304-F387 HydrophobicContact CD-CZ 4.36Å; K304-F387 HydrophobicContact CG-CE2 4.11Å; L305-F387 WeakPolarHBondContact O-CB 3.45Å; L305-F387 PolarHBondContact O-N 2.94Å; L305-F387 VanDerWaalsContact O-N 3.13Å; F306-F387 HydrophobicContact CD1-CB 4.03Å; F306-F387 HydrophobicContact CD1-CD1 4.48Å; F306-F387 HydrophobicContact CD1-CD2 4.11Å; F306-F387 AromaticContact CD1-CG 3.97Å; F306-F387 HydrophobicContact CD1-CG 3.97Å; F306-F387 HydrophobicContact CE1-CB 4.14Å; F306-F387 AromaticContact CE1-CD1 3.81Å; F306-F387 HydrophobicContact CE1-CD1 3.81Å; F306-F387 AromaticContact CE1-CD2 3.54Å; F306-F387 HydrophobicContact CE1-CD2 3.54Å; F306-F387 HydrophobicContact CE1-CE1 4.04Å; F306-F387 AromaticContact CE1-CE2 3.81Å; F306-F387 HydrophobicContact CE1-CE2 3.81Å; F306-F387 AromaticContact CE1-CG 3.55Å; F306-F387 HydrophobicContact CE1-CG 3.55Å; F306-F387 HydrophobicContact CE1-CZ 4.05Å; F306-F387 HydrophobicContact CE2-CD2 4.45Å; F306-F387 HydrophobicContact CE2-CE2 4.47Å; F306-F387 AromaticContact CZ-CD2 3.73Å; F306-F387 HydrophobicContact CZ-CD2 3.73Å; F306-F387 HydrophobicContact CZ-CE1 4.45Å; F306-F387 AromaticContact CZ-CE2 3.63Å; F306-F387 HydrophobicContact CZ-CE2 3.63Å; F306-F387 HydrophobicContact CZ-CG 4.22Å; F306-F387 HydrophobicContact CZ-CZ 4.01Å; K313-F387 WeakPolarHBondContact CE-O 3.48Å; I374-F387 HydrophobicContact CD1-CD1 3.68Å; I374-F387 HydrophobicContact CD1-CE1 3.42Å; I374-F387 VanDerWaalsContact CD1-CE1 3.42Å; I374-F387 HydrophobicContact CD1-CZ 4.14Å; I374-F387 HydrophobicContact CG1-CD1 3.69Å; I374-F387 HydrophobicContact CG1-CE1 3.97Å; I374-F387 HydrophobicContact CG1-CG 4.25Å; I374-F387 HydrophobicContact CG2-CD1 4.33Å; I374-F387 HydrophobicContact CG2-CD2 4.23Å; I374-F387 HydrophobicContact CG2-CE1 4.45Å; I374-F387 HydrophobicContact CG2-CE2 4.33Å; I374-F387 HydrophobicContact CG2-CG 4.22Å; I374-F387 HydrophobicContact CG2-CZ 4.44Å; W385-F387 HydrophobicContact CB-CD2 4.19Å; W385-F387 HydrophobicContact CB-CE2 3.65Å; W385-F387 HydrophobicContact CE3-CZ 4.29Å; F387-G389 PolarHBondContact O-N 3.11Å; F387-Y397 HydrophobicContact CB-CE2 4.02Å; F387-Y397 AromaticContact CD1-CD1 3.84Å; F387-Y397 HydrophobicContact CD1-CD1 3.84Å; F387-Y397 AromaticContact CD1-CD2 3.8Å; F387-Y397 HydrophobicContact CD1-CD2 3.8Å; F387-Y397 AromaticContact CD1-CE1 3.93Å; F387-Y397 HydrophobicContact CD1-CE1 3.93Å; F387-Y397 AromaticContact CD1-CE2 3.92Å; F387-Y397 HydrophobicContact CD1-CE2 3.92Å; F387-Y397 AromaticContact CD1-CG 3.76Å; F387-Y397 HydrophobicContact CD1-CG 3.76Å; F387-Y397 AromaticContact CD1-CZ 3.98Å; F387-Y397 HydrophobicContact CE1-CD1 4.24Å; F387-Y397 HydrophobicContact CE1-CG 4.16Å; F387-Y397 HydrophobicContact CG-CE2 4.47Å; F387-F400 HydrophobicContact CE1-CB 3.95Å; F387-F400 HydrophobicContact CZ-CB 3.92Å; F387-I401 HydrophobicContact CE1-CG1 4.32Å; F387-I401 HydrophobicContact CZ-CG1 4.45Å |
| 388 | S | 90.3 | Very high | 85.9 | Confident | 3 Ų | 3 | 25.5 Ų | 25.5 | 2% | 0.021 | 14% | 0.135 | C | C | . | . | trans | -55.9 | 139.5 | 176.1 | -172 | 0 | 0 | 0 | 0 | 111.4 | T371 G373 F390 Y397 | T371-S388 WeakPolarHBondContact O-CB 3.24Å; T371-S388 PolarHBondContact O-OG 3.49Å; G373-S388 WeakPolarHBondContact O-CB 3.45Å; G373-S388 PolarHBondContact O-N 3.46Å; S388-F390 PolarHBondContact O-N 2.96Å; S388-F390 PolarHBondContact OG-N 3.06Å; S388-Y397 WeakPolarHBondContact CA-OH 3.45Å; S388-Y397 WeakPolarHBondContact CB-OH 3.47Å; S388-Y397 PolarHBondContact N-OH 3.26Å; S388-Y397 WeakPolarHBondContact O-CE2 3.4Å; S388-Y397 PolarHBondContact O-OH 3.25Å | ||
| 389 | G | 85.8 | Confident | 86 | Confident | 7 Ų | 7 | 24.5 Ų | 24.5 | 7% | 0.072 | 13% | 0.128 | C | C | . | . | trans | -83.8 | 15 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | G307 F387 Y394 | G307-G389 WeakPolarHBondContact O-CA 3.26Å; F387-G389 PolarHBondContact O-N 3.11Å; G389-Y394 PolarHBondContact O-OH 3.46Å | ||
| 390 | F | 83.5 | Confident | 86.3 | Confident | 47 Ų | 47 | 23.1 Ų | 23.1 | 21% | 0.206 | 12% | 0.118 | C | C | . | . | trans | -92 | 125.1 | -175.4 | -167.9 | -109.1 | 0 | 0 | 0 | 111.1 | S388 S392 Y393 Y394 E644 | S388-F390 PolarHBondContact O-N 2.96Å; S388-F390 PolarHBondContact OG-N 3.06Å; F390-S392 WeakPolarHBondContact CD1-OG 3.35Å; F390-S392 WeakPolarHBondContact CE1-OG 3.34Å; F390-S392 PolarHBondContact O-N 2.91Å; F390-Y393 HydrophobicContact CB-CD2 3.85Å; F390-Y393 HydrophobicContact CB-CE2 3.86Å; F390-Y393 HydrophobicContact CD1-CD2 4.14Å; F390-Y393 AromaticContact CD1-CE2 3.81Å; F390-Y393 HydrophobicContact CD1-CE2 3.81Å; F390-Y393 HydrophobicContact CG-CE2 4.28Å; F390-Y393 PolarHBondContact O-N 3.35Å; F390-Y394 WeakPolarHBondContact O-CD1 3.35Å; F390-Y394 VanDerWaalsContact O-CE1 3.29Å; F390-Y394 WeakPolarHBondContact O-CE1 3.21Å; F390-E644 HydrophobicContact CZ-CB 4.48Å | ||
| 391 | P | 78.1 | Confident | 86.5 | Confident | 47 Ų | 47 | 16.3 Ų | 16.3 | 31% | 0.305 | 8% | 0.082 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -16 | -169.7 | -26.5 | 34.9 | 0 | 0 | 0 | 117.1 | Y393 Y394 R783 | P391-Y393 VanDerWaalsContact C-N 3.26Å; P391-Y393 PolarHBondContact O-N 3.09Å; P391-Y394 HydrophobicContact CB-CE2 4.4Å; P391-R783 PolarHBondContact O-NH2 3.43Å |
| 392 | S | 79.5 | Confident | 85.6 | Confident | 9 Ų | 9 | 13.6 Ų | 13.6 | 6% | 0.063 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -32.5 | 178.4 | 71.8 | 0 | 0 | 0 | 0 | 111.8 | F390 C395 F642 | F390-S392 WeakPolarHBondContact CD1-OG 3.35Å; F390-S392 WeakPolarHBondContact CE1-OG 3.34Å; F390-S392 PolarHBondContact O-N 2.91Å; S392-C395 PolarHBondContact O-SG 2.86Å; S392-F642 WeakPolarHBondContact CB-O 3.32Å; S392-F642 PolarHBondContact OG-O 2.9Å |
| 393 | Y | 86.6 | Confident | 84.6 | Confident | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 8% | 0.077 | C | C | . | . | G | 310 helix | trans | -84.4 | -14.9 | -173.3 | -56 | -61.5 | 0 | 0 | 0 | 114.2 | Y370 G373 F390 P391 C395 F396 Y397 G639 F642 S643 | Y370-Y393 HydrophobicContact CE2-CE2 4.22Å; G373-Y393 VanDerWaalsContact N-CZ 3.35Å; F390-Y393 HydrophobicContact CB-CD2 3.85Å; F390-Y393 HydrophobicContact CB-CE2 3.86Å; F390-Y393 HydrophobicContact CD1-CD2 4.14Å; F390-Y393 AromaticContact CD1-CE2 3.81Å; F390-Y393 HydrophobicContact CD1-CE2 3.81Å; F390-Y393 HydrophobicContact CG-CE2 4.28Å; F390-Y393 PolarHBondContact O-N 3.35Å; P391-Y393 VanDerWaalsContact C-N 3.26Å; P391-Y393 PolarHBondContact O-N 3.09Å; Y393-C395 PolarHBondContact O-N 3.49Å; Y393-F396 AromaticContact CD1-CE1 3.7Å; Y393-F396 HydrophobicContact CD1-CE1 3.7Å; Y393-F396 AromaticContact CD1-CZ 3.64Å; Y393-F396 HydrophobicContact CD1-CZ 3.64Å; Y393-F396 HydrophobicContact CG-CE1 4.26Å; Y393-F396 HydrophobicContact CG-CZ 4.05Å; Y393-F396 WeakPolarHBondContact O-CD1 3.33Å; Y393-F396 WeakPolarHBondContact O-CG 3.4Å; Y393-F396 PolarHBondContact O-N 2.85Å; Y393-Y397 WeakPolarHBondContact CB-OH 3.39Å; Y393-Y397 VanDerWaalsContact O-CD1 3.29Å; Y393-Y397 WeakPolarHBondContact O-CD1 3.44Å; Y393-G639 WeakPolarHBondContact CE1-O 3.18Å; Y393-G639 PolarHBondContact OH-O 2.96Å; Y393-G639 VanDerWaalsContact OH-O 3.1Å; Y393-F642 HydrophobicContact CD1-CB 3.6Å; Y393-F642 HydrophobicContact CE1-CB 3.59Å; Y393-F642 WeakPolarHBondContact CE1-O 3.44Å; Y393-S643 WeakPolarHBondContact OH-CA 3.34Å |
| 394 | Y | 86.2 | Confident | 83.7 | Confident | 15 Ų | 15 | 14.3 Ų | 14.3 | 6% | 0.059 | 8% | 0.082 | C | C | . | . | G | 310 helix | trans | -62.6 | -19.9 | -172.5 | -65.6 | 6.2 | 0 | 0 | 0 | 113.4 | G389 F390 P391 F396 Y397 F427 W428 F431 H820 | G389-Y394 PolarHBondContact O-OH 3.46Å; F390-Y394 WeakPolarHBondContact O-CD1 3.35Å; F390-Y394 VanDerWaalsContact O-CE1 3.29Å; F390-Y394 WeakPolarHBondContact O-CE1 3.21Å; P391-Y394 HydrophobicContact CB-CE2 4.4Å; Y394-F396 PolarHBondContact O-N 3.3Å; Y394-Y397 HydrophobicContact CD1-CD2 4.01Å; Y394-Y397 AromaticContact CD1-CE2 3.59Å; Y394-Y397 HydrophobicContact CD1-CE2 3.59Å; Y394-Y397 AromaticContact CE1-CE2 3.99Å; Y394-Y397 HydrophobicContact CE1-CE2 3.99Å; Y394-F427 HydrophobicContact CD2-CE1 4.4Å; Y394-F427 AromaticContact CD2-CZ 3.9Å; Y394-F427 HydrophobicContact CD2-CZ 3.9Å; Y394-F427 AromaticContact CE2-CE1 3.76Å; Y394-F427 HydrophobicContact CE2-CE1 3.76Å; Y394-F427 AromaticContact CE2-CZ 3.58Å; Y394-F427 HydrophobicContact CE2-CZ 3.58Å; Y394-W428 AromaticContact CE1-CH2 3.82Å; Y394-W428 HydrophobicContact CE1-CH2 3.82Å; Y394-W428 HydrophobicContact CE1-CZ2 4.27Å; Y394-W428 AromaticContact CZ-CH2 3.89Å; Y394-W428 AromaticContact CZ-CZ2 3.96Å; Y394-W428 WeakPolarHBondContact OH-CZ2 3.42Å; Y394-F431 HydrophobicContact CD2-CE2 4.3Å; Y394-F431 HydrophobicContact CG-CE2 4.41Å; Y394-F431 HydrophobicContact CG-CZ 4.47Å; Y394-H820 WeakPolarHBondContact CB-ND1 3.27Å; Y394-H820 AromaticContact CD2-CE1 3.26Å; Y394-H820 WeakPolarHBondContact CD2-CE1 3.48Å; Y394-H820 AromaticContact CD2-ND1 3.81Å; Y394-H820 AromaticContact CD2-NE2 3.46Å; Y394-H820 WeakPolarHBondContact CD2-NE2 3.39Å; Y394-H820 AromaticContact CG-CE1 3.95Å |
| 395 | C | 83.1 | Confident | 83.1 | Confident | 2 Ų | 2 | 15.2 Ų | 15.2 | 1% | 0.014 | 9% | 0.092 | C | C | . | . | G | 310 helix | trans | -67.6 | -15.2 | -179.9 | 60.8 | 0 | 0 | 0 | 0 | 114.5 | S392 Y393 L682 R824 | S392-C395 PolarHBondContact O-SG 2.86Å; Y393-C395 PolarHBondContact O-N 3.49Å; C395-L682 HydrophobicContact CB-CD2 4.18Å; C395-R824 PolarHBondContact O-NE 3.18Å; C395-R824 PolarHBondContact O-NH2 3.34Å |
| 396 | F | 86.7 | Confident | 82.9 | Confident | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.7 | -1.1 | 179.9 | 64.7 | -109.3 | 0 | 0 | 0 | 114.8 | I374 Y393 Y394 D398 H399 F400 L638 F642 L682 | I374-F396 HydrophobicContact CD1-CE2 4.07Å; I374-F396 HydrophobicContact CG1-CE2 4.34Å; Y393-F396 AromaticContact CD1-CE1 3.7Å; Y393-F396 HydrophobicContact CD1-CE1 3.7Å; Y393-F396 AromaticContact CD1-CZ 3.64Å; Y393-F396 HydrophobicContact CD1-CZ 3.64Å; Y393-F396 HydrophobicContact CG-CE1 4.26Å; Y393-F396 HydrophobicContact CG-CZ 4.05Å; Y393-F396 WeakPolarHBondContact O-CD1 3.33Å; Y393-F396 WeakPolarHBondContact O-CG 3.4Å; Y393-F396 PolarHBondContact O-N 2.85Å; Y394-F396 PolarHBondContact O-N 3.3Å; F396-D398 VanDerWaalsContact C-N 3.28Å; F396-D398 VanDerWaalsContact C-OD1 3.29Å; F396-D398 PolarHBondContact O-N 2.7Å; F396-H399 PolarHBondContact O-N 3.4Å; F396-F400 HydrophobicContact CD2-CD2 4.06Å; F396-F400 AromaticContact CD2-CE2 3.69Å; F396-F400 HydrophobicContact CD2-CE2 3.69Å; F396-F400 HydrophobicContact CE2-CE2 4.32Å; F396-F400 VanDerWaalsContact O-CD2 3.31Å; F396-F400 WeakPolarHBondContact O-CD2 3.46Å; F396-L638 HydrophobicContact CE1-CB 4.47Å; F396-L638 HydrophobicContact CZ-CB 4.23Å; F396-F642 HydrophobicContact CD1-CD2 4.23Å; F396-F642 HydrophobicContact CD1-CE2 4.4Å; F396-F642 HydrophobicContact CE1-CB 4.35Å; F396-F642 AromaticContact CE1-CD2 3.9Å; F396-F642 HydrophobicContact CE1-CD2 3.9Å; F396-F642 HydrophobicContact CE1-CG 4.19Å; F396-L682 HydrophobicContact CB-CD1 3.92Å; F396-L682 HydrophobicContact CB-CD2 4.49Å |
| 397 | Y | 88.8 | Confident | 82.8 | Confident | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -29.4 | -176.8 | -77.1 | 1.4 | 0 | 0 | 0 | 114.1 | G373 I374 F387 S388 Y393 Y394 H399 F400 I401 W428 F431 | G373-Y397 PolarHBondContact O-OH 3.39Å; I374-Y397 HydrophobicContact CD1-CD1 4Å; I374-Y397 HydrophobicContact CD1-CE1 4.03Å; I374-Y397 HydrophobicContact CG1-CD1 4.2Å; I374-Y397 HydrophobicContact CG1-CE1 3.71Å; F387-Y397 HydrophobicContact CB-CE2 4.02Å; F387-Y397 AromaticContact CD1-CD1 3.84Å; F387-Y397 HydrophobicContact CD1-CD1 3.84Å; F387-Y397 AromaticContact CD1-CD2 3.8Å; F387-Y397 HydrophobicContact CD1-CD2 3.8Å; F387-Y397 AromaticContact CD1-CE1 3.93Å; F387-Y397 HydrophobicContact CD1-CE1 3.93Å; F387-Y397 AromaticContact CD1-CE2 3.92Å; F387-Y397 HydrophobicContact CD1-CE2 3.92Å; F387-Y397 AromaticContact CD1-CG 3.76Å; F387-Y397 HydrophobicContact CD1-CG 3.76Å; F387-Y397 AromaticContact CD1-CZ 3.98Å; F387-Y397 HydrophobicContact CE1-CD1 4.24Å; F387-Y397 HydrophobicContact CE1-CG 4.16Å; F387-Y397 HydrophobicContact CG-CE2 4.47Å; S388-Y397 WeakPolarHBondContact CA-OH 3.45Å; S388-Y397 WeakPolarHBondContact CB-OH 3.47Å; S388-Y397 PolarHBondContact N-OH 3.26Å; S388-Y397 WeakPolarHBondContact O-CE2 3.4Å; S388-Y397 PolarHBondContact O-OH 3.25Å; Y393-Y397 WeakPolarHBondContact CB-OH 3.39Å; Y393-Y397 VanDerWaalsContact O-CD1 3.29Å; Y393-Y397 WeakPolarHBondContact O-CD1 3.44Å; Y394-Y397 HydrophobicContact CD1-CD2 4.01Å; Y394-Y397 AromaticContact CD1-CE2 3.59Å; Y394-Y397 HydrophobicContact CD1-CE2 3.59Å; Y394-Y397 AromaticContact CE1-CE2 3.99Å; Y394-Y397 HydrophobicContact CE1-CE2 3.99Å; Y397-H399 PolarHBondContact O-N 3.45Å; Y397-F400 CarbonylContact O-C 3.58Å; Y397-F400 PolarHBondContact O-N 2.96Å; Y397-I401 VanDerWaalsContact O-CG1 3.26Å; Y397-I401 WeakPolarHBondContact O-CG1 3.33Å; Y397-I401 PolarHBondContact O-N 3.3Å; Y397-W428 HydrophobicContact CE2-CH2 4.26Å; Y397-F431 HydrophobicContact CD2-CE1 4.19Å; Y397-F431 HydrophobicContact CD2-CZ 4.35Å |
| 398 | D | 83.1 | Confident | 82.9 | Confident | 22 Ų | 22 | 15.1 Ų | 15.1 | 12% | 0.118 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -55.1 | -34.3 | 176.8 | 61.1 | -51.6 | 0 | 0 | 0 | 113.1 | F396 F400 R435 R824 | F396-D398 VanDerWaalsContact C-N 3.28Å; F396-D398 VanDerWaalsContact C-OD1 3.29Å; F396-D398 PolarHBondContact O-N 2.7Å; D398-F400 PolarHBondContact O-N 3.07Å; D398-R435 HydrophobicContact CB-CB 4.44Å; D398-R435 HydrophobicContact CB-CG 3.95Å; D398-R824 IonicContact OD1-CZ 2.7Å; D398-R824 IonicContact OD1-NH1 2.96Å; D398-R824 IonicContact OD1-NH2 3.59Å; D398-R824 PolarHBondContact OD1-NH2 3.42Å; D398-R824 IonicContact OD2-CZ 2.77Å; D398-R824 IonicContact OD2-NH1 3.74Å; D398-R824 PolarHBondContact OD2-NH1 2.95Å; D398-R824 IonicContact OD2-NH2 3.62Å; D398-R824 PolarHBondContact OD2-NH2 3.33Å |
| 399 | H | 83.2 | Confident | 83.1 | Confident | 67 Ų | 67 | 15 Ų | 15 | 31% | 0.31 | 9% | 0.091 | S | C | . | . | H | α-helix | trans | -66.9 | -21.2 | 175.6 | -66.6 | -67.6 | 0 | 0 | 0 | 113.5 | F396 Y397 F680 R824 | F396-H399 PolarHBondContact O-N 3.4Å; Y397-H399 PolarHBondContact O-N 3.45Å; H399-F680 HydrophobicContact CB-CD1 4.38Å; H399-F680 HydrophobicContact CB-CE1 3.98Å; H399-F680 HydrophobicContact CB-CZ 4.48Å; H399-F680 AromaticContact CD2-CD1 3.42Å; H399-F680 VanDerWaalsContact CD2-CD1 3.42Å; H399-F680 WeakPolarHBondContact CD2-CD1 3.39Å; H399-F680 AromaticContact CD2-CE1 3.9Å; H399-F680 AromaticContact CD2-CG 3.76Å; H399-F680 AromaticContact CE1-CD1 3.6Å; H399-F680 AromaticContact CG-CD1 3.59Å; H399-F680 AromaticContact CG-CE1 3.66Å; H399-F680 AromaticContact ND1-CD1 3.7Å; H399-F680 AromaticContact ND1-CE1 3.94Å; H399-F680 WeakPolarHBondContact NE2-CA 3.5Å; H399-F680 AromaticContact NE2-CD1 3.42Å; H399-F680 WeakPolarHBondContact NE2-CD1 3.27Å; H399-F680 AromaticContact NE2-CG 3.77Å; H399-F680 PolarHBondContact NE2-O 2.62Å; H399-R824 PolarHBondContact CD2-NH2 2.87Å; H399-R824 PolarHBondContact NE2-NH2 2.57Å |
| 400 | F | 87.8 | Confident | 83.5 | Confident | 10 Ų | 10 | 14.7 Ų | 14.7 | 4% | 0.044 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -112.7 | -10.4 | -174.9 | -54.3 | -78.4 | 0 | 0 | 0 | 113.4 | K304 I374 W385 F387 F396 Y397 D398 L593 C634 L638 F680 | K304-F400 WeakPolarHBondContact CE-O 3.29Å; K304-F400 PolarHBondContact NZ-O 3.27Å; I374-F400 HydrophobicContact CD1-CB 3.96Å; I374-F400 HydrophobicContact CD1-CD2 3.59Å; I374-F400 HydrophobicContact CD1-CE2 4.25Å; I374-F400 HydrophobicContact CD1-CG 3.81Å; W385-F400 HydrophobicContact CE3-CB 4.31Å; W385-F400 HydrophobicContact CH2-CD1 4.02Å; W385-F400 HydrophobicContact CZ3-CB 3.98Å; W385-F400 AromaticContact CZ3-CD1 3.55Å; W385-F400 HydrophobicContact CZ3-CD1 3.55Å; W385-F400 HydrophobicContact CZ3-CE1 4.39Å; W385-F400 HydrophobicContact CZ3-CG 4.04Å; F387-F400 HydrophobicContact CE1-CB 3.95Å; F387-F400 HydrophobicContact CZ-CB 3.92Å; F396-F400 HydrophobicContact CD2-CD2 4.06Å; F396-F400 AromaticContact CD2-CE2 3.69Å; F396-F400 HydrophobicContact CD2-CE2 3.69Å; F396-F400 HydrophobicContact CE2-CE2 4.32Å; F396-F400 VanDerWaalsContact O-CD2 3.31Å; F396-F400 WeakPolarHBondContact O-CD2 3.46Å; Y397-F400 CarbonylContact O-C 3.58Å; Y397-F400 PolarHBondContact O-N 2.96Å; D398-F400 PolarHBondContact O-N 3.07Å; F400-L593 HydrophobicContact CD1-CD1 3.97Å; F400-L593 HydrophobicContact CD1-CD2 4.29Å; F400-L593 HydrophobicContact CE1-CD1 3.53Å; F400-C634 WeakPolarHBondContact CE1-SG 3.43Å; F400-L638 HydrophobicContact CE2-CD1 4.29Å; F400-L638 HydrophobicContact CZ-CD1 4.04Å; F400-F680 HydrophobicContact CE2-CZ 4.5Å; F400-F680 HydrophobicContact CZ-CE2 4.3Å; F400-F680 AromaticContact CZ-CZ 3.98Å; F400-F680 HydrophobicContact CZ-CZ 3.98Å |
| 401 | I | 84.1 | Confident | 84.1 | Confident | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -79 | -38.8 | 178.9 | -73.1 | 162.8 | 0 | 0 | 0 | 112.1 | K304 F306 F387 Y397 D403 F431 L432 I436 | K304-I401 PolarHBondContact NZ-O 2.71Å; F306-I401 HydrophobicContact CE1-CD1 4.24Å; F306-I401 HydrophobicContact CE1-CG1 3.89Å; F306-I401 HydrophobicContact CZ-CG1 3.91Å; F387-I401 HydrophobicContact CE1-CG1 4.32Å; F387-I401 HydrophobicContact CZ-CG1 4.45Å; Y397-I401 VanDerWaalsContact O-CG1 3.26Å; Y397-I401 WeakPolarHBondContact O-CG1 3.33Å; Y397-I401 PolarHBondContact O-N 3.3Å; I401-D403 PolarHBondContact O-N 3.47Å; I401-F431 HydrophobicContact CD1-CD1 3.93Å; I401-F431 HydrophobicContact CD1-CE1 3.57Å; I401-L432 HydrophobicContact CD1-CD2 4.26Å; I401-L432 HydrophobicContact CG1-CD2 4.29Å; I401-L432 HydrophobicContact CG2-CD2 3.76Å; I401-I436 HydrophobicContact CG2-CD1 4.16Å; I401-I436 HydrophobicContact CG2-CG1 3.62Å |
| 402 | G | 63 | Low | 84.8 | Confident | 30 Ų | 30 | 10.3 Ų | 10.3 | 31% | 0.309 | 6% | 0.064 | S | C | . | . | trans | -68.2 | 98.1 | -165.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 403 | D | 68.8 | Low | 85.4 | Confident | 15 Ų | 15 | 11 Ų | 11 | 8% | 0.08 | 7% | 0.067 | C | C | . | . | trans | -166.4 | 127.7 | 154.3 | -90 | -38 | 0 | 0 | 0 | 109.6 | K302 I401 G405 C406 K439 | K302-D403 IonicContact NZ-OD2 3.55Å; K302-D403 PolarHBondContact NZ-OD2 3.37Å; I401-D403 PolarHBondContact O-N 3.47Å; D403-G405 VanDerWaalsContact C-N 3.26Å; D403-G405 PolarHBondContact O-N 3.07Å; D403-C406 PolarHBondContact O-SG 3.43Å; D403-K439 IonicContact OD1-NZ 3.03Å | ||
| 404 | I | 71 | Confident | 85.5 | Confident | 21 Ų | 21 | 11.2 Ų | 11.2 | 11% | 0.108 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -24.8 | 174.9 | -56.9 | 174.9 | 0 | 0 | 0 | 111.2 | C406 I436 K439 E450 | I404-C406 PolarHBondContact O-N 2.69Å; I404-I436 HydrophobicContact CG1-CG2 4.29Å; I404-K439 HydrophobicContact CD1-CB 3.55Å; I404-K439 HydrophobicContact CD1-CD 3.86Å; I404-K439 HydrophobicContact CD1-CG 3.62Å; I404-K439 HydrophobicContact CG1-CD 4.37Å; I404-K439 HydrophobicContact CG1-CG 4.5Å; I404-E450 HydrophobicContact CD1-CB 4.15Å; I404-E450 HydrophobicContact CG2-CB 4.05Å |
| 405 | G | 78.5 | Confident | 85.6 | Confident | 21 Ų | 21 | 15.2 Ų | 15.2 | 22% | 0.216 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 27.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | D403 I527 | D403-G405 VanDerWaalsContact C-N 3.26Å; D403-G405 PolarHBondContact O-N 3.07Å; G405-I527 WeakPolarHBondContact O-CG2 3.33Å |
| 406 | C | 87.3 | Confident | 85.8 | Confident | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.007 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -133.7 | 162.2 | 176.4 | 72.9 | 0 | 0 | 0 | 0 | 112.3 | K302 K304 D403 I404 H408 | K302-C406 HydrophobicContact CB-CB 3.73Å; K302-C406 WeakPolarHBondContact O-CB 3.49Å; K304-C406 VanDerWaalsContact CE-SG 3.59Å; D403-C406 PolarHBondContact O-SG 3.43Å; I404-C406 PolarHBondContact O-N 2.69Å; C406-H408 PolarHBondContact SG-CE1 2.85Å; C406-H408 PolarHBondContact SG-NE2 3.22Å |
| 407 | I | 91.4 | Very high | 85.9 | Confident | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 129.4 | -179.5 | -57.5 | 172.6 | 0 | 0 | 0 | 108.5 | I301 K302 L303 K304 I455 L520 V523 I527 | I301-I407 HydrophobicContact CD1-CD1 3.76Å; I301-I407 HydrophobicContact CD1-CG1 4.04Å; K302-I407 PolarHBondContact O-N 3.36Å; L303-I407 HydrophobicContact CD1-CB 3.62Å; L303-I407 HydrophobicContact CD1-CG2 3.67Å; K304-I407 PolarHBondContact N-O 2.96Å; I407-I455 HydrophobicContact CG2-CD1 3.55Å; I407-I455 HydrophobicContact CG2-CG1 4.32Å; I407-L520 HydrophobicContact CD1-CD2 4.07Å; I407-L520 HydrophobicContact CG2-CD2 3.81Å; I407-V523 HydrophobicContact CD1-CB 3.97Å; I407-V523 HydrophobicContact CD1-CG1 3.65Å; I407-V523 HydrophobicContact CG1-CG1 3.86Å; I407-I527 HydrophobicContact CD1-CD1 4.41Å; I407-I527 HydrophobicContact CG1-CD1 3.8Å |
| 408 | H | 93.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 123.8 | 178.3 | -53 | 77.7 | 0 | 0 | 0 | 109.6 | F306 C406 L432 R453 I454 I455 | F306-H408 HydrophobicContact CE2-CB 4.34Å; F306-H408 AromaticContact CE2-CD2 3.71Å; C406-H408 PolarHBondContact SG-CE1 2.85Å; C406-H408 PolarHBondContact SG-NE2 3.22Å; H408-L432 HydrophobicContact CB-CD1 4.39Å; H408-R453 WeakPolarHBondContact CB-O 3.42Å; H408-R453 PolarHBondContact N-O 2.98Å; H408-R453 VanDerWaalsContact N-O 3.09Å; H408-R453 PolarHBondContact ND1-O 2.79Å; H408-I454 HydrophobicContact CB-CG1 4.3Å; H408-I454 CarbonylContact O-C 3.59Å; H408-I454 WeakPolarHBondContact O-CA 3.41Å; H408-I455 PolarHBondContact O-N 3.21Å |
| 409 | L | 95.1 | Very high | 85.9 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 125 | 172.4 | -75.5 | 142.6 | 0 | 0 | 0 | 108.5 | L303 K304 L305 F306 L411 I455 V457 L516 | L303-L409 HydrophobicContact CD1-CD1 3.43Å; L303-L409 VanDerWaalsContact CD1-CD1 3.43Å; L303-L409 HydrophobicContact CD1-CG 4.33Å; L303-L409 HydrophobicContact CD2-CD1 3.86Å; L303-L409 HydrophobicContact CG-CD1 3.65Å; K304-L409 PolarHBondContact O-N 3.01Å; L305-L409 WeakPolarHBondContact CA-O 3.49Å; L305-L409 HydrophobicContact CD1-CD1 4.29Å; L305-L409 HydrophobicContact CG-CB 4.29Å; L305-L409 HydrophobicContact CG-CD1 4.16Å; F306-L409 PolarHBondContact N-O 2.9Å; L409-L411 HydrophobicContact CB-CD1 3.98Å; L409-I455 CarbonylContact C-O 3.56Å; L409-I455 WeakPolarHBondContact CA-O 3.48Å; L409-I455 HydrophobicContact CD2-CB 4.03Å; L409-I455 HydrophobicContact CD2-CD1 4.48Å; L409-I455 HydrophobicContact CD2-CG2 4.09Å; L409-V457 HydrophobicContact CD2-CG2 3.5Å; L409-V457 VanDerWaalsContact CD2-CG2 3.5Å; L409-L516 HydrophobicContact CD2-CD1 4.36Å |
| 410 | V | 95 | Very high | 86 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 112.5 | 172.4 | 179.6 | 0 | 0 | 0 | 0 | 108.2 | F306 V425 W428 L429 L432 I454 I455 L456 V457 | F306-V410 HydrophobicContact CB-CG2 4.43Å; V410-V425 HydrophobicContact CG1-CG1 4.39Å; V410-V425 HydrophobicContact CG1-CG2 4.49Å; V410-W428 HydrophobicContact CG1-CB 3.79Å; V410-W428 HydrophobicContact CG1-CG 4.37Å; V410-W428 HydrophobicContact CG2-CB 4.44Å; V410-L429 HydrophobicContact CG2-CD2 4.46Å; V410-L432 HydrophobicContact CG2-CD1 3.98Å; V410-I454 HydrophobicContact CG2-CG2 3.93Å; V410-I455 PolarHBondContact N-O 2.85Å; V410-L456 HydrophobicContact CB-CD2 3.81Å; V410-L456 HydrophobicContact CG1-CD2 4.26Å; V410-L456 WeakPolarHBondContact O-CA 3.24Å; V410-V457 PolarHBondContact O-N 2.93Å |
| 411 | L | 95.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 141 | -177.7 | -71 | 78.3 | 0 | 0 | 0 | 111 | L305 F306 G307 V311 K313 L316 L409 V457 T459 | L305-L411 HydrophobicContact CB-CD1 4.12Å; L305-L411 HydrophobicContact CD2-CD1 4.15Å; L305-L411 HydrophobicContact CG-CD1 4.21Å; F306-L411 PolarHBondContact O-N 3.1Å; G307-L411 WeakPolarHBondContact CA-O 3.49Å; V311-L411 HydrophobicContact CB-CB 4.49Å; V311-L411 HydrophobicContact CG2-CB 3.76Å; K313-L411 HydrophobicContact CB-CD2 4.36Å; K313-L411 HydrophobicContact CG-CB 4.46Å; K313-L411 HydrophobicContact CG-CD1 4.37Å; K313-L411 HydrophobicContact CG-CD2 3.95Å; L316-L411 HydrophobicContact CB-CD2 4.22Å; L316-L411 HydrophobicContact CD2-CD1 4.21Å; L316-L411 HydrophobicContact CD2-CD2 3.66Å; L316-L411 HydrophobicContact CD2-CG 4.17Å; L409-L411 HydrophobicContact CB-CD1 3.98Å; L411-V457 WeakPolarHBondContact CA-O 3.38Å; L411-V457 HydrophobicContact CG-CB 4.25Å; L411-T459 HydrophobicContact CD2-CG2 3.94Å |
| 412 | F | 93.4 | Very high | 86.3 | Confident | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.009 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 157 | 169.2 | 61.7 | -84.7 | 0 | 0 | 0 | 110.5 | L414 R421 V425 L456 V457 T459 T479 F482 I500 L502 | F412-L414 HydrophobicContact CD2-CD2 4.44Å; F412-L414 HydrophobicContact CE2-CD2 3.7Å; F412-L414 HydrophobicContact CE2-CG 4.41Å; F412-R421 HydrophobicContact CD2-CB 4.36Å; F412-R421 HydrophobicContact CD2-CG 4.02Å; F412-V425 HydrophobicContact CB-CG2 3.9Å; F412-V425 HydrophobicContact CD1-CG2 3.73Å; F412-V425 HydrophobicContact CG-CG2 4Å; F412-L456 HydrophobicContact CE1-CB 4.35Å; F412-V457 WeakPolarHBondContact CD1-O 3.49Å; F412-V457 PolarHBondContact N-O 3.08Å; F412-T459 PolarHBondContact O-N 2.9Å; F412-T459 PolarHBondContact O-OG1 3.37Å; F412-T459 VanDerWaalsContact O-OG1 3.11Å; F412-T479 HydrophobicContact CE2-CG2 4.26Å; F412-T479 HydrophobicContact CZ-CG2 3.84Å; F412-F482 HydrophobicContact CE1-CE1 4.3Å; F412-F482 HydrophobicContact CZ-CE1 4.22Å; F412-I500 HydrophobicContact CE1-CG2 4.16Å; F412-I500 HydrophobicContact CZ-CG2 3.99Å; F412-L502 HydrophobicContact CZ-CD2 4.48Å |
| 413 | N | 91.1 | Very high | 87.4 | Confident | 23 Ų | 23 | 35.4 Ų | 35.4 | 12% | 0.123 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 125.5 | 179.4 | -177.3 | 0.9 | 0 | 0 | 0 | 109.8 | V311 M415 D416 R421 H460 | V311-N413 HydrophobicContact CB-CB 4.48Å; V311-N413 HydrophobicContact CG1-CB 4.22Å; N413-M415 PolarHBondContact O-N 2.98Å; N413-M415 WeakPolarHBondContact OD1-CB 3.38Å; N413-M415 WeakPolarHBondContact OD1-CG 3.36Å; N413-M415 PolarHBondContact OD1-N 3.35Å; N413-D416 WeakPolarHBondContact CB-OD2 3.41Å; N413-D416 PolarHBondContact O-N 3.09Å; N413-R421 WeakPolarHBondContact O-CG 3.4Å; N413-H460 PolarHBondContact OD1-ND1 3.36Å |
| 414 | L | 89.7 | Confident | 88.4 | Confident | 5 Ų | 5 | 35 Ų | 35 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -19.5 | 178.7 | -69 | 166 | 0 | 0 | 0 | 113.1 | F412 D416 T459 A461 V464 L502 | F412-L414 HydrophobicContact CD2-CD2 4.44Å; F412-L414 HydrophobicContact CE2-CD2 3.7Å; F412-L414 HydrophobicContact CE2-CG 4.41Å; L414-D416 PolarHBondContact O-N 3.02Å; L414-T459 VanDerWaalsContact CB-O 3.26Å; L414-T459 WeakPolarHBondContact CB-O 3.38Å; L414-T459 WeakPolarHBondContact CD1-O 3.27Å; L414-T459 VanDerWaalsContact CG-O 3.28Å; L414-T459 WeakPolarHBondContact CG-O 3.49Å; L414-T459 PolarHBondContact N-O 3.08Å; L414-A461 HydrophobicContact CD1-CB 3.68Å; L414-V464 HydrophobicContact CB-CG2 3.73Å; L414-L502 HydrophobicContact CD1-CB 4.37Å; L414-L502 HydrophobicContact CD1-CD2 4.11Å; L414-L502 HydrophobicContact CD2-CD2 4Å |
| 415 | M | 88.1 | Confident | 89.4 | Confident | 100 Ų | 100 | 34 Ų | 34 | 49% | 0.493 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -19.9 | 174.7 | -62.3 | -65.7 | -62 | 0 | 0 | 113 | N413 H460 V463 V464 | N413-M415 PolarHBondContact O-N 2.98Å; N413-M415 WeakPolarHBondContact OD1-CB 3.38Å; N413-M415 WeakPolarHBondContact OD1-CG 3.36Å; N413-M415 PolarHBondContact OD1-N 3.35Å; M415-H460 HydrophobicContact CG-CB 4.05Å; M415-V463 HydrophobicContact CE-CG1 3.75Å; M415-V463 HydrophobicContact CG-CB 4.46Å; M415-V463 HydrophobicContact CG-CG1 4.45Å; M415-V463 HydrophobicContact SD-CB 3.66Å; M415-V463 HydrophobicContact SD-CG1 3.44Å; M415-V463 WeakPolarHBondContact SD-CG1 3.43Å; M415-V464 HydrophobicContact CG-CG2 3.97Å; M415-V464 HydrophobicContact SD-CB 4.32Å; M415-V464 HydrophobicContact SD-CG2 3.27Å; M415-V464 WeakPolarHBondContact SD-CG2 3.26Å |
| 416 | D | 87.9 | Confident | 89.9 | Confident | 21 Ų | 21 | 36.7 Ų | 36.7 | 11% | 0.112 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -76.9 | 152.9 | 179.2 | -72.2 | -41.9 | 0 | 0 | 0 | 111.5 | R354 N413 L414 W420 R421 | R354-D416 IonicContact NH1-OD1 2.76Å; N413-D416 WeakPolarHBondContact CB-OD2 3.41Å; N413-D416 PolarHBondContact O-N 3.09Å; L414-D416 PolarHBondContact O-N 3.02Å; D416-W420 HydrophobicContact CB-CB 4.42Å; D416-W420 HydrophobicContact CB-CE3 4.03Å; D416-W420 WeakPolarHBondContact OD2-CZ3 3.45Å; D416-R421 HydrophobicContact CB-CG 4.18Å; D416-R421 PolarHBondContact O-NE 3.23Å |
| 417 | S | 88.6 | Confident | 90 | Very high | 75 Ų | 75 | 39.8 Ų | 39.8 | 52% | 0.524 | 18% | 0.182 | S | C | . | . | trans | -58.5 | 148.3 | 176.2 | 70.3 | 0 | 0 | 0 | 0 | 111.1 | E419 W420 R421 | S417-E419 PolarHBondContact O-N 2.99Å; S417-W420 PolarHBondContact O-N 3.14Å; S417-W420 WeakPolarHBondContact OG-CB 3.38Å; S417-W420 PolarHBondContact OG-N 3.29Å; S417-R421 PolarHBondContact O-N 3.22Å | ||
| 418 | L | 84.9 | Confident | 89.9 | Confident | 42 Ų | 42 | 39.7 Ų | 39.7 | 22% | 0.22 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -54.7 | -38.6 | -178.5 | -176 | 68.9 | 0 | 0 | 0 | 112.3 | W420 R421 R422 E478 | L418-W420 VanDerWaalsContact C-N 3.33Å; L418-W420 PolarHBondContact O-N 3.32Å; L418-R421 PolarHBondContact O-N 3.36Å; L418-R422 WeakPolarHBondContact O-CB 3.32Å; L418-R422 VanDerWaalsContact O-CG 3.3Å; L418-R422 WeakPolarHBondContact O-CG 3.48Å; L418-R422 PolarHBondContact O-N 2.71Å; L418-E478 HydrophobicContact CD1-CB 4.08Å; L418-E478 HydrophobicContact CD2-CB 4.32Å |
| 419 | E | 86.4 | Confident | 89.8 | Confident | 114 Ų | 114 | 39.7 Ų | 39.7 | 53% | 0.533 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -64.9 | -37.7 | 177.9 | -159.8 | -174.8 | 166.8 | 0 | 0 | 112 | S417 R423 | S417-E419 PolarHBondContact O-N 2.99Å; E419-R423 WeakPolarHBondContact O-CG 3.31Å; E419-R423 PolarHBondContact O-N 3.04Å; E419-R423 IonicContact OE1-CZ 3.21Å; E419-R423 IonicContact OE1-NH1 3.41Å; E419-R423 PolarHBondContact OE1-NH1 3.16Å; E419-R423 IonicContact OE1-NH2 3.16Å; E419-R423 PolarHBondContact OE1-NH2 3.49Å; E419-R423 IonicContact OE2-NH1 2.59Å |
| 420 | W | 85.7 | Confident | 89.5 | Confident | 92 Ų | 92 | 41.1 Ų | 41.1 | 35% | 0.348 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -73.7 | -41.6 | 177.2 | -155.7 | 95.1 | 0 | 0 | 0 | 111.7 | S308 D416 S417 L418 R422 R423 S424 | S308-W420 VanDerWaalsContact OG-CH2 3.32Å; S308-W420 WeakPolarHBondContact OG-CH2 3.47Å; D416-W420 HydrophobicContact CB-CB 4.42Å; D416-W420 HydrophobicContact CB-CE3 4.03Å; D416-W420 WeakPolarHBondContact OD2-CZ3 3.45Å; S417-W420 PolarHBondContact O-N 3.14Å; S417-W420 WeakPolarHBondContact OG-CB 3.38Å; S417-W420 PolarHBondContact OG-N 3.29Å; L418-W420 VanDerWaalsContact C-N 3.33Å; L418-W420 PolarHBondContact O-N 3.32Å; W420-R422 VanDerWaalsContact C-N 3.29Å; W420-R422 PolarHBondContact O-N 3.44Å; W420-R423 PolarHBondContact O-N 3.04Å; W420-S424 WeakPolarHBondContact O-CB 3.4Å; W420-S424 PolarHBondContact O-N 2.81Å |
| 421 | R | 89.2 | Confident | 89.1 | Confident | 19 Ų | 19 | 41.1 Ų | 41.1 | 7% | 0.072 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -53 | -48.6 | 170.7 | -70.3 | -172.9 | -97.8 | 160.8 | -1.1 | 110.8 | F412 N413 D416 S417 L418 S424 V425 D476 E478 T479 | F412-R421 HydrophobicContact CD2-CB 4.36Å; F412-R421 HydrophobicContact CD2-CG 4.02Å; N413-R421 WeakPolarHBondContact O-CG 3.4Å; D416-R421 HydrophobicContact CB-CG 4.18Å; D416-R421 PolarHBondContact O-NE 3.23Å; S417-R421 PolarHBondContact O-N 3.22Å; L418-R421 PolarHBondContact O-N 3.36Å; R421-S424 PolarHBondContact O-N 3.38Å; R421-V425 WeakPolarHBondContact O-CG2 3.46Å; R421-V425 PolarHBondContact O-N 3.46Å; R421-D476 IonicContact NH1-OD2 2.9Å; R421-D476 PolarHBondContact NH1-OD2 3.24Å; R421-E478 IonicContact NH2-OE2 3.41Å; R421-T479 PolarHBondContact NH1-OG1 3.43Å |
| 422 | R | 88.8 | Confident | 88.9 | Confident | 62 Ų | 62 | 41.1 Ų | 41.1 | 23% | 0.234 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.7 | -51 | 176.7 | -77.2 | 171 | 178.7 | -152.2 | -10.6 | 112.8 | L418 W420 R426 F482 E485 | L418-R422 WeakPolarHBondContact O-CB 3.32Å; L418-R422 VanDerWaalsContact O-CG 3.3Å; L418-R422 WeakPolarHBondContact O-CG 3.48Å; L418-R422 PolarHBondContact O-N 2.71Å; W420-R422 VanDerWaalsContact C-N 3.29Å; W420-R422 PolarHBondContact O-N 3.44Å; R422-R426 WeakPolarHBondContact O-CB 3.43Å; R422-R426 WeakPolarHBondContact O-CG 3.22Å; R422-R426 PolarHBondContact O-N 2.87Å; R422-F482 HydrophobicContact CB-CE2 4.24Å; R422-F482 HydrophobicContact CG-CD2 3.5Å; R422-F482 HydrophobicContact CG-CE2 3.66Å; R422-F482 HydrophobicContact CG-CG 4.49Å; R422-E485 IonicContact CZ-OE1 2.55Å; R422-E485 IonicContact CZ-OE2 3.03Å; R422-E485 IonicContact NE-OE2 2.86Å; R422-E485 IonicContact NH1-OE1 2.73Å; R422-E485 IonicContact NH1-OE2 3.29Å; R422-E485 PolarHBondContact NH1-OE2 2.84Å; R422-E485 VanDerWaalsContact NH2-CD 3.31Å; R422-E485 IonicContact NH2-OE1 3.74Å; R422-E485 PolarHBondContact NH2-OE1 3.28Å; R422-E485 IonicContact NH2-OE2 3.1Å; R422-E485 PolarHBondContact NH2-OE2 3.36Å; R422-E485 VanDerWaalsContact NH2-OE2 3.16Å |
| 423 | R | 86.6 | Confident | 88.6 | Confident | 129 Ų | 129 | 43.5 Ų | 43.5 | 49% | 0.487 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.6 | -44.4 | 178.9 | -76.8 | -174 | 179.2 | 110 | 7.3 | 112.1 | E419 W420 F427 | E419-R423 WeakPolarHBondContact O-CG 3.31Å; E419-R423 PolarHBondContact O-N 3.04Å; E419-R423 IonicContact OE1-CZ 3.21Å; E419-R423 IonicContact OE1-NH1 3.41Å; E419-R423 PolarHBondContact OE1-NH1 3.16Å; E419-R423 IonicContact OE1-NH2 3.16Å; E419-R423 PolarHBondContact OE1-NH2 3.49Å; E419-R423 IonicContact OE2-NH1 2.59Å; W420-R423 PolarHBondContact O-N 3.04Å; R423-F427 VanDerWaalsContact O-CB 3.32Å; R423-F427 WeakPolarHBondContact O-CB 3.33Å; R423-F427 PolarHBondContact O-N 3Å |
| 424 | S | 88.7 | Confident | 88.3 | Confident | 8 Ų | 8 | 42.4 Ų | 42.4 | 6% | 0.056 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.1 | -49 | -178.7 | 179.7 | 0 | 0 | 0 | 0 | 111.5 | S308 W420 R421 F427 W428 | S308-S424 PolarHBondContact OG-OG 3.45Å; W420-S424 WeakPolarHBondContact O-CB 3.4Å; W420-S424 PolarHBondContact O-N 2.81Å; R421-S424 PolarHBondContact O-N 3.38Å; S424-F427 WeakPolarHBondContact O-CB 3.36Å; S424-F427 PolarHBondContact O-N 3.18Å; S424-W428 PolarHBondContact O-N 3.01Å; S424-W428 VanDerWaalsContact O-N 3.15Å |
| 425 | V | 91.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.5 | -45.6 | -179.8 | 174.8 | 0 | 0 | 0 | 0 | 111.2 | V410 F412 R421 F427 W428 L429 L456 F482 I486 | V410-V425 HydrophobicContact CG1-CG1 4.39Å; V410-V425 HydrophobicContact CG1-CG2 4.49Å; F412-V425 HydrophobicContact CB-CG2 3.9Å; F412-V425 HydrophobicContact CD1-CG2 3.73Å; F412-V425 HydrophobicContact CG-CG2 4Å; R421-V425 WeakPolarHBondContact O-CG2 3.46Å; R421-V425 PolarHBondContact O-N 3.46Å; V425-F427 VanDerWaalsContact C-N 3.32Å; V425-F427 PolarHBondContact O-N 3.46Å; V425-W428 PolarHBondContact O-N 3.12Å; V425-W428 VanDerWaalsContact O-N 3.13Å; V425-L429 HydrophobicContact CG1-CD1 3.89Å; V425-L429 HydrophobicContact CG1-CG 4.1Å; V425-L429 WeakPolarHBondContact O-CG 3.28Å; V425-L429 PolarHBondContact O-N 3.37Å; V425-L456 HydrophobicContact CG1-CD1 4.28Å; V425-L456 HydrophobicContact CG1-CD2 3.81Å; V425-F482 HydrophobicContact CB-CE2 4.46Å; V425-F482 HydrophobicContact CB-CZ 3.75Å; V425-F482 HydrophobicContact CG1-CZ 4Å; V425-F482 HydrophobicContact CG2-CE1 4.38Å; V425-F482 HydrophobicContact CG2-CZ 3.76Å; V425-I486 HydrophobicContact CB-CD1 4.23Å; V425-I486 HydrophobicContact CG1-CD1 3.46Å; V425-I486 VanDerWaalsContact CG1-CD1 3.46Å |
| 426 | R | 90.4 | Very high | 87.9 | Confident | 76 Ų | 76 | 38.4 Ų | 38.4 | 29% | 0.287 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -55 | -48.4 | 175.2 | -79.6 | -173.6 | 172.9 | 123.6 | 5.9 | 111.6 | R422 W428 L429 D430 E489 | R422-R426 WeakPolarHBondContact O-CB 3.43Å; R422-R426 WeakPolarHBondContact O-CG 3.22Å; R422-R426 PolarHBondContact O-N 2.87Å; R426-W428 VanDerWaalsContact C-N 3.3Å; R426-W428 PolarHBondContact O-N 3.01Å; R426-L429 PolarHBondContact O-N 3.01Å; R426-D430 WeakPolarHBondContact O-CB 3.39Å; R426-D430 VanDerWaalsContact O-CG 3.28Å; R426-D430 PolarHBondContact O-N 3.44Å; R426-E489 IonicContact CZ-OE2 3.66Å; R426-E489 VanDerWaalsContact CZ-OE2 3.32Å; R426-E489 IonicContact NE-OE1 3.76Å; R426-E489 IonicContact NE-OE2 3.42Å; R426-E489 PolarHBondContact NE-OE2 3.21Å; R426-E489 IonicContact NH2-OE2 2.78Å; R426-E489 PolarHBondContact NH2-OE2 2.8Å |
| 427 | F | 88.4 | Confident | 87.3 | Confident | 66 Ų | 66 | 39.9 Ų | 39.9 | 29% | 0.289 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -52.2 | -48.1 | 176.3 | 170.4 | -93.7 | 0 | 0 | 0 | 112.1 | Y394 R423 S424 V425 F431 | Y394-F427 HydrophobicContact CD2-CE1 4.4Å; Y394-F427 AromaticContact CD2-CZ 3.9Å; Y394-F427 HydrophobicContact CD2-CZ 3.9Å; Y394-F427 AromaticContact CE2-CE1 3.76Å; Y394-F427 HydrophobicContact CE2-CE1 3.76Å; Y394-F427 AromaticContact CE2-CZ 3.58Å; Y394-F427 HydrophobicContact CE2-CZ 3.58Å; R423-F427 VanDerWaalsContact O-CB 3.32Å; R423-F427 WeakPolarHBondContact O-CB 3.33Å; R423-F427 PolarHBondContact O-N 3Å; S424-F427 WeakPolarHBondContact O-CB 3.36Å; S424-F427 PolarHBondContact O-N 3.18Å; V425-F427 VanDerWaalsContact C-N 3.32Å; V425-F427 PolarHBondContact O-N 3.46Å; F427-F431 HydrophobicContact CE1-CD2 4.35Å; F427-F431 HydrophobicContact CE2-CD2 4.47Å; F427-F431 AromaticContact CZ-CD2 3.87Å; F427-F431 HydrophobicContact CZ-CD2 3.87Å; F427-F431 HydrophobicContact CZ-CE2 4.47Å; F427-F431 WeakPolarHBondContact O-CB 3.47Å; F427-F431 PolarHBondContact O-N 3.4Å |
| 428 | W | 90.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -70.5 | -38.4 | -179.2 | -75.5 | 109.6 | 0 | 0 | 0 | 113.3 | F306 G307 Y394 Y397 V410 S424 V425 R426 D430 F431 L432 | F306-W428 HydrophobicContact CB-CD2 4.08Å; F306-W428 HydrophobicContact CB-CE3 3.82Å; F306-W428 HydrophobicContact CB-CZ3 4.25Å; F306-W428 AromaticContact CD1-CE3 3.94Å; F306-W428 HydrophobicContact CD1-CE3 3.94Å; F306-W428 AromaticContact CD1-CZ3 3.77Å; F306-W428 HydrophobicContact CD1-CZ3 3.77Å; F306-W428 HydrophobicContact CG-CE3 4.24Å; F306-W428 HydrophobicContact CG-CZ3 4.46Å; G307-W428 VanDerWaalsContact C-CE2 3.5Å; G307-W428 VanDerWaalsContact CA-NE1 3.31Å; G307-W428 VanDerWaalsContact O-CZ2 3.28Å; G307-W428 WeakPolarHBondContact O-CZ2 3.5Å; Y394-W428 AromaticContact CE1-CH2 3.82Å; Y394-W428 HydrophobicContact CE1-CH2 3.82Å; Y394-W428 HydrophobicContact CE1-CZ2 4.27Å; Y394-W428 AromaticContact CZ-CH2 3.89Å; Y394-W428 AromaticContact CZ-CZ2 3.96Å; Y394-W428 WeakPolarHBondContact OH-CZ2 3.42Å; Y397-W428 HydrophobicContact CE2-CH2 4.26Å; V410-W428 HydrophobicContact CG1-CB 3.79Å; V410-W428 HydrophobicContact CG1-CG 4.37Å; V410-W428 HydrophobicContact CG2-CB 4.44Å; S424-W428 PolarHBondContact O-N 3.01Å; S424-W428 VanDerWaalsContact O-N 3.15Å; V425-W428 PolarHBondContact O-N 3.12Å; V425-W428 VanDerWaalsContact O-N 3.13Å; R426-W428 VanDerWaalsContact C-N 3.3Å; R426-W428 PolarHBondContact O-N 3.01Å; W428-D430 VanDerWaalsContact C-N 3.35Å; W428-F431 HydrophobicContact CE3-CB 4.47Å; W428-F431 HydrophobicContact CE3-CD1 4.33Å; W428-F431 HydrophobicContact CZ3-CD1 4.24Å; W428-F431 PolarHBondContact O-N 3.27Å; W428-L432 WeakPolarHBondContact O-CB 3.49Å; W428-L432 VanDerWaalsContact O-CG 3.25Å; W428-L432 WeakPolarHBondContact O-CG 3.39Å; W428-L432 PolarHBondContact O-N 3.38Å |
| 429 | L | 91.4 | Very high | 85.5 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.6 | -46.3 | 175 | -67.5 | 178.3 | 0 | 0 | 0 | 111.2 | V410 V425 R426 L432 Y433 I454 I486 Y490 L494 I496 | V410-L429 HydrophobicContact CG2-CD2 4.46Å; V425-L429 HydrophobicContact CG1-CD1 3.89Å; V425-L429 HydrophobicContact CG1-CG 4.1Å; V425-L429 WeakPolarHBondContact O-CG 3.28Å; V425-L429 PolarHBondContact O-N 3.37Å; R426-L429 PolarHBondContact O-N 3.01Å; L429-L432 PolarHBondContact O-N 3.5Å; L429-Y433 WeakPolarHBondContact O-CB 3.35Å; L429-Y433 PolarHBondContact O-N 2.94Å; L429-I454 HydrophobicContact CD2-CD1 3.59Å; L429-I454 HydrophobicContact CD2-CG2 3.81Å; L429-I486 HydrophobicContact CD1-CD1 4.23Å; L429-I486 HydrophobicContact CD1-CG2 3.57Å; L429-Y490 HydrophobicContact CB-CD1 4.38Å; L429-Y490 HydrophobicContact CB-CE1 3.92Å; L429-Y490 HydrophobicContact CB-CE2 4.41Å; L429-Y490 HydrophobicContact CD1-CD2 3.95Å; L429-Y490 HydrophobicContact CD1-CE2 3.87Å; L429-Y490 HydrophobicContact CD1-CG 4.4Å; L429-L494 HydrophobicContact CB-CD1 4.19Å; L429-L494 HydrophobicContact CD2-CD1 4.23Å; L429-I496 HydrophobicContact CD1-CD1 4.16Å; L429-I496 HydrophobicContact CD2-CD1 4.35Å |
| 430 | D | 87.6 | Confident | 84.3 | Confident | 29 Ų | 29 | 37.9 Ų | 37.9 | 16% | 0.155 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.4 | -43.4 | 174.3 | -83.6 | -15.2 | 0 | 0 | 0 | 112.5 | R426 W428 L432 A434 Y490 P815 Q817 | R426-D430 WeakPolarHBondContact O-CB 3.39Å; R426-D430 VanDerWaalsContact O-CG 3.28Å; R426-D430 PolarHBondContact O-N 3.44Å; W428-D430 VanDerWaalsContact C-N 3.35Å; D430-L432 VanDerWaalsContact C-N 3.34Å; D430-L432 PolarHBondContact O-N 2.94Å; D430-A434 VanDerWaalsContact O-CB 3.31Å; D430-A434 WeakPolarHBondContact O-CB 3.47Å; D430-A434 PolarHBondContact O-N 2.82Å; D430-Y490 VanDerWaalsContact OD1-CE1 3.3Å; D430-Y490 WeakPolarHBondContact OD1-CE1 3.31Å; D430-Y490 PolarHBondContact OD1-OH 3.24Å; D430-Y490 PolarHBondContact OD2-OH 3.11Å; D430-P815 HydrophobicContact CB-CB 3.67Å; D430-P815 HydrophobicContact CB-CG 3.26Å; D430-P815 WeakPolarHBondContact OD2-CB 3.34Å; D430-Q817 VanDerWaalsContact C-NE2 3.3Å; D430-Q817 PolarHBondContact O-NE2 3.37Å |
| 431 | F | 87.8 | Confident | 83.1 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.2 | -42.7 | 177.6 | -168.2 | -88.8 | 0 | 0 | 0 | 111.8 | Y394 Y397 I401 F427 W428 R435 | Y394-F431 HydrophobicContact CD2-CE2 4.3Å; Y394-F431 HydrophobicContact CG-CE2 4.41Å; Y394-F431 HydrophobicContact CG-CZ 4.47Å; Y397-F431 HydrophobicContact CD2-CE1 4.19Å; Y397-F431 HydrophobicContact CD2-CZ 4.35Å; I401-F431 HydrophobicContact CD1-CD1 3.93Å; I401-F431 HydrophobicContact CD1-CE1 3.57Å; F427-F431 HydrophobicContact CE1-CD2 4.35Å; F427-F431 HydrophobicContact CE2-CD2 4.47Å; F427-F431 AromaticContact CZ-CD2 3.87Å; F427-F431 HydrophobicContact CZ-CD2 3.87Å; F427-F431 HydrophobicContact CZ-CE2 4.47Å; F427-F431 WeakPolarHBondContact O-CB 3.47Å; F427-F431 PolarHBondContact O-N 3.4Å; W428-F431 HydrophobicContact CE3-CB 4.47Å; W428-F431 HydrophobicContact CE3-CD1 4.33Å; W428-F431 HydrophobicContact CZ3-CD1 4.24Å; W428-F431 PolarHBondContact O-N 3.27Å; F431-R435 VanDerWaalsContact CD2-NH1 3.28Å; F431-R435 WeakPolarHBondContact O-CD 3.24Å; F431-R435 PolarHBondContact O-NH1 3.1Å; F431-R435 VanDerWaalsContact O-NH1 3.11Å |
| 432 | L | 89.5 | Confident | 82 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69.5 | -52.4 | 176.6 | -71 | 172.5 | 0 | 0 | 0 | 111.3 | F306 I401 H408 V410 W428 L429 D430 A434 R435 I436 I454 | F306-L432 HydrophobicContact CD1-CD2 4.31Å; F306-L432 HydrophobicContact CD2-CD1 4.17Å; F306-L432 HydrophobicContact CD2-CD2 4.09Å; F306-L432 HydrophobicContact CE1-CD2 3.97Å; F306-L432 HydrophobicContact CE2-CD1 4.46Å; F306-L432 HydrophobicContact CE2-CD2 3.74Å; F306-L432 HydrophobicContact CG-CD2 4.37Å; F306-L432 HydrophobicContact CZ-CD2 3.67Å; I401-L432 HydrophobicContact CD1-CD2 4.26Å; I401-L432 HydrophobicContact CG1-CD2 4.29Å; I401-L432 HydrophobicContact CG2-CD2 3.76Å; H408-L432 HydrophobicContact CB-CD1 4.39Å; V410-L432 HydrophobicContact CG2-CD1 3.98Å; W428-L432 WeakPolarHBondContact O-CB 3.49Å; W428-L432 VanDerWaalsContact O-CG 3.25Å; W428-L432 WeakPolarHBondContact O-CG 3.39Å; W428-L432 PolarHBondContact O-N 3.38Å; L429-L432 PolarHBondContact O-N 3.5Å; D430-L432 VanDerWaalsContact C-N 3.34Å; D430-L432 PolarHBondContact O-N 2.94Å; L432-A434 VanDerWaalsContact C-N 3.29Å; L432-A434 PolarHBondContact O-N 3.4Å; L432-R435 PolarHBondContact O-N 2.92Å; L432-I436 HydrophobicContact CB-CD1 4.15Å; L432-I436 VanDerWaalsContact O-CG1 3.3Å; L432-I436 WeakPolarHBondContact O-CG1 3.2Å; L432-I436 PolarHBondContact O-N 2.86Å; L432-I454 HydrophobicContact CD1-CD1 4.16Å |
| 433 | Y | 87.2 | Confident | 80.7 | Confident | 53 Ų | 53 | 44.3 Ų | 44.3 | 21% | 0.208 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -55.2 | -45.4 | -178.9 | 173.7 | -106.4 | 0 | 0 | 0 | 111.8 | L429 R435 K493 L494 N973 | L429-Y433 WeakPolarHBondContact O-CB 3.35Å; L429-Y433 PolarHBondContact O-N 2.94Å; Y433-R435 PolarHBondContact O-N 3.34Å; Y433-K493 HydrophobicContact CD1-CD 4.26Å; Y433-K493 HydrophobicContact CD2-CB 3.67Å; Y433-K493 HydrophobicContact CD2-CD 4.37Å; Y433-K493 HydrophobicContact CD2-CG 4.22Å; Y433-K493 HydrophobicContact CE1-CD 4.04Å; Y433-K493 HydrophobicContact CE1-CG 4.46Å; Y433-K493 HydrophobicContact CE2-CB 3.57Å; Y433-K493 HydrophobicContact CE2-CD 4.14Å; Y433-K493 HydrophobicContact CE2-CG 3.74Å; Y433-K493 HydrophobicContact CG-CB 4.39Å; Y433-K493 HydrophobicContact CG-CD 4.42Å; Y433-L494 HydrophobicContact CD2-CD2 4.22Å; Y433-L494 HydrophobicContact CD2-CG 4.39Å; Y433-N973 HydrophobicContact CD1-CB 4.35Å; Y433-N973 HydrophobicContact CE1-CB 3.89Å; Y433-N973 HydrophobicContact CE2-CB 4.32Å; Y433-N973 WeakPolarHBondContact O-CB 3.34Å; Y433-N973 PolarHBondContact O-ND2 2.97Å |
| 434 | A | 84.9 | Confident | 79 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.5 | -31.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | D430 L432 Q817 C971 P972 N973 L974 | D430-A434 VanDerWaalsContact O-CB 3.31Å; D430-A434 WeakPolarHBondContact O-CB 3.47Å; D430-A434 PolarHBondContact O-N 2.82Å; L432-A434 VanDerWaalsContact C-N 3.29Å; L432-A434 PolarHBondContact O-N 3.4Å; A434-Q817 VanDerWaalsContact CB-NE2 3.33Å; A434-C971 HydrophobicContact CB-CB 4.28Å; A434-C971 CarbonylContact O-C 3.58Å; A434-C971 WeakPolarHBondContact O-CA 3.46Å; A434-C971 WeakPolarHBondContact O-CB 3.25Å; A434-P972 VanDerWaalsContact O-CD 3.29Å; A434-P972 WeakPolarHBondContact O-CD 3.41Å; A434-N973 PolarHBondContact O-N 2.79Å; A434-L974 HydrophobicContact CB-CD1 3.92Å |
| 435 | R | 86.1 | Confident | 77.3 | Confident | 12 Ų | 12 | 50.5 Ų | 50.5 | 5% | 0.045 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -100.9 | -22.9 | -170.9 | -72.5 | 170.3 | 176.9 | 66.6 | 10.3 | 114.6 | D398 F431 L432 Y433 P437 | D398-R435 HydrophobicContact CB-CB 4.44Å; D398-R435 HydrophobicContact CB-CG 3.95Å; F431-R435 VanDerWaalsContact CD2-NH1 3.28Å; F431-R435 WeakPolarHBondContact O-CD 3.24Å; F431-R435 PolarHBondContact O-NH1 3.1Å; F431-R435 VanDerWaalsContact O-NH1 3.11Å; L432-R435 PolarHBondContact O-N 2.92Å; Y433-R435 PolarHBondContact O-N 3.34Å; R435-P437 WeakPolarHBondContact O-CD 3.35Å |
| 436 | I | 84.2 | Confident | 75.9 | Confident | 9 Ų | 9 | 52.8 Ų | 52.8 | 5% | 0.046 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -79.5 | 115.9 | -178.2 | -65.8 | 169.1 | 0 | 0 | 0 | 109.2 | I401 I404 L432 V438 A452 N973 | I401-I436 HydrophobicContact CG2-CD1 4.16Å; I401-I436 HydrophobicContact CG2-CG1 3.62Å; I404-I436 HydrophobicContact CG1-CG2 4.29Å; L432-I436 HydrophobicContact CB-CD1 4.15Å; L432-I436 VanDerWaalsContact O-CG1 3.3Å; L432-I436 WeakPolarHBondContact O-CG1 3.2Å; L432-I436 PolarHBondContact O-N 2.86Å; I436-V438 PolarHBondContact O-N 2.92Å; I436-A452 HydrophobicContact CD1-CB 3.53Å; I436-A452 HydrophobicContact CG2-CB 4.34Å; I436-N973 PolarHBondContact O-ND2 3.22Å |
| 437 | P | 74.4 | Confident | 74.7 | Confident | 52 Ų | 52 | 54.1 Ų | 54.1 | 34% | 0.338 | 31% | 0.312 | S | S | . | . | trans | -66.9 | 136.7 | -179.2 | 27.3 | -33.7 | 0 | 0 | 0 | 111.2 | R435 K439 P972 | R435-P437 WeakPolarHBondContact O-CD 3.35Å; P437-K439 PolarHBondContact O-N 3.02Å; P437-P972 HydrophobicContact CB-CG 4.18Å | ||
| 438 | V | 69.5 | Low | 73.8 | Confident | 60 Ų | 60 | 51.7 Ų | 51.7 | 36% | 0.364 | 30% | 0.303 | S | S | . | . | trans | -64.2 | 120.8 | 170.7 | 179.6 | 0 | 0 | 0 | 0 | 108.9 | I436 L442 P448 N973 | I436-V438 PolarHBondContact O-N 2.92Å; V438-L442 HydrophobicContact CG1-CD2 3.85Å; V438-P448 HydrophobicContact CG1-CB 4.03Å; V438-P448 HydrophobicContact CG1-CG 4.21Å; V438-P448 HydrophobicContact CG2-CG 4.39Å; V438-N973 WeakPolarHBondContact CG2-OD1 3.1Å | ||
| 439 | K | 66.6 | Low | 72.9 | Confident | 77 Ų | 77 | 54.5 Ų | 54.5 | 34% | 0.335 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 143 | 171.5 | -60.4 | -174.2 | 179.7 | -176.3 | 0 | 110 | D403 I404 P437 | D403-K439 IonicContact OD1-NZ 3.03Å; I404-K439 HydrophobicContact CD1-CB 3.55Å; I404-K439 HydrophobicContact CD1-CD 3.86Å; I404-K439 HydrophobicContact CD1-CG 3.62Å; I404-K439 HydrophobicContact CG1-CD 4.37Å; I404-K439 HydrophobicContact CG1-CG 4.5Å; P437-K439 PolarHBondContact O-N 3.02Å |
| 440 | G | 61.7 | Low | 72.2 | Confident | 51 Ų | 51 | 59.6 Ų | 59.6 | 53% | 0.526 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 88.6 | 172.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 441 | P | 59.6 | Low | 72 | Confident | 98 Ų | 98 | 60.7 Ų | 60.7 | 64% | 0.636 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 148.7 | 176 | 27.7 | -32.5 | 0 | 0 | 0 | 110.7 | T449 | P441-T449 HydrophobicContact CG-CG2 4.08Å; P441-T449 VanDerWaalsContact O-CG2 3.24Å; P441-T449 WeakPolarHBondContact O-CG2 3.3Å; P441-T449 PolarHBondContact O-OG1 3.35Å |
| 442 | L | 67 | Low | 71.9 | Confident | 111 Ų | 111 | 60.9 Ų | 60.9 | 58% | 0.581 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 134.4 | 172.7 | -64.2 | 174.8 | 0 | 0 | 0 | 109.9 | V438 | V438-L442 HydrophobicContact CG1-CD2 3.85Å |
| 443 | L | 62.1 | Low | 71.9 | Confident | 100 Ų | 100 | 64 Ų | 64 | 52% | 0.524 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -79.4 | 173.3 | 171.5 | -65.4 | 169.8 | 0 | 0 | 0 | 110.9 | G445 G446 R447 T449 | L443-G445 PolarHBondContact O-N 3.28Å; L443-G446 PolarHBondContact O-N 3.08Å; L443-R447 HydrophobicContact CB-CB 4.34Å; L443-R447 WeakPolarHBondContact CB-O 3.35Å; L443-R447 PolarHBondContact N-O 2.98Å; L443-T449 HydrophobicContact CD1-CG2 4.12Å; L443-T449 HydrophobicContact CD2-CG2 3.9Å; L443-T449 HydrophobicContact CG-CG2 3.76Å |
| 444 | F | 49.7 | Very low | 72.2 | Confident | 190 Ų | 190 | 61.6 Ų | 61.6 | 83% | 0.833 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | 130.8 | 175.1 | -167.7 | -93.7 | 0 | 0 | 0 | 110.9 | ||
| 445 | G | 54.3 | Low | 72.6 | Confident | 76 Ų | 76 | 61.8 Ų | 61.8 | 78% | 0.784 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.9 | 9.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | L443 | L443-G445 PolarHBondContact O-N 3.28Š|
| 446 | G | 61.1 | Low | 73.1 | Confident | 49 Ų | 49 | 61.3 Ų | 61.3 | 51% | 0.505 | 35% | 0.352 | S | S | . | . | S | Bend | trans | 82.4 | 11.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | L443 | L443-G446 PolarHBondContact O-N 3.08Š|
| 447 | R | 64.5 | Low | 73.5 | Confident | 104 Ų | 104 | 60.9 Ų | 60.9 | 39% | 0.392 | 35% | 0.35 | S | S | . | . | trans | -71.8 | 131.9 | 177.9 | -74.3 | -174.5 | 179.5 | -176.3 | -0.7 | 111.1 | L443 D492 | L443-R447 HydrophobicContact CB-CB 4.34Å; L443-R447 WeakPolarHBondContact CB-O 3.35Å; L443-R447 PolarHBondContact N-O 2.98Å; R447-D492 IonicContact CZ-OD1 2.77Å; R447-D492 IonicContact NE-OD1 3.35Å; R447-D492 PolarHBondContact NE-OD1 2.83Å; R447-D492 IonicContact NH2-OD1 2.69Å; R447-D492 PolarHBondContact NH2-OD1 2.78Å | ||
| 448 | P | 69.6 | Low | 74.4 | Confident | 14 Ų | 14 | 58.4 Ų | 58.4 | 9% | 0.091 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 145 | 170.1 | -21.4 | 32.1 | 0 | 0 | 0 | 111.5 | V438 E450 M451 | V438-P448 HydrophobicContact CG1-CB 4.03Å; V438-P448 HydrophobicContact CG1-CG 4.21Å; V438-P448 HydrophobicContact CG2-CG 4.39Å; P448-E450 WeakPolarHBondContact CB-O 3.36Å; P448-M451 HydrophobicContact CB-CG 3.93Å; P448-M451 HydrophobicContact CG-CG 4.1Å |
| 449 | T | 72.7 | Confident | 75.5 | Confident | 60 Ų | 60 | 55.5 Ų | 55.5 | 37% | 0.368 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | -36.8 | 169.9 | 28.2 | 0 | 0 | 0 | 0 | 112 | P441 L443 | P441-T449 HydrophobicContact CG-CG2 4.08Å; P441-T449 VanDerWaalsContact O-CG2 3.24Å; P441-T449 WeakPolarHBondContact O-CG2 3.3Å; P441-T449 PolarHBondContact O-OG1 3.35Å; L443-T449 HydrophobicContact CD1-CG2 4.12Å; L443-T449 HydrophobicContact CD2-CG2 3.9Å; L443-T449 HydrophobicContact CG-CG2 3.76Å |
| 450 | E | 76.6 | Confident | 76.6 | Confident | 107 Ų | 107 | 54.2 Ų | 54.2 | 50% | 0.5 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 123 | 175.7 | -58.8 | -174.2 | 164.7 | 0 | 0 | 109.7 | I404 P448 | I404-E450 HydrophobicContact CD1-CB 4.15Å; I404-E450 HydrophobicContact CG2-CB 4.05Å; P448-E450 WeakPolarHBondContact CB-O 3.36Å |
| 451 | M | 82.3 | Confident | 77.8 | Confident | 52 Ų | 52 | 51.8 Ų | 51.8 | 26% | 0.256 | 29% | 0.287 | S | S | . | . | trans | -111.9 | 153.1 | -180 | -68.9 | -175.9 | -113.2 | 0 | 0 | 111.2 | P448 R453 D495 | P448-M451 HydrophobicContact CB-CG 3.93Å; P448-M451 HydrophobicContact CG-CG 4.1Å; M451-R453 PolarHBondContact O-N 2.83Å; M451-D495 HydrophobicContact CB-CB 4.05Å | ||
| 452 | A | 86.1 | Confident | 78.9 | Confident | 4 Ų | 4 | 49 Ų | 49 | 3% | 0.033 | 27% | 0.266 | C | S | . | . | trans | -71 | 128.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111 | I436 L494 D495 | I436-A452 HydrophobicContact CD1-CB 3.53Å; I436-A452 HydrophobicContact CG2-CB 4.34Å; A452-L494 HydrophobicContact CB-CD2 4.26Å; A452-D495 PolarHBondContact O-N 2.87Å | ||
| 453 | R | 90.2 | Very high | 79.7 | Confident | 66 Ų | 66 | 46.9 Ų | 46.9 | 25% | 0.249 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 125.4 | 177.6 | -71.3 | -177.9 | -174.9 | 156.7 | 5.4 | 111.4 | H408 M451 D495 | H408-R453 WeakPolarHBondContact CB-O 3.42Å; H408-R453 PolarHBondContact N-O 2.98Å; H408-R453 VanDerWaalsContact N-O 3.09Å; H408-R453 PolarHBondContact ND1-O 2.79Å; M451-R453 PolarHBondContact O-N 2.83Å; R453-D495 CarbonylContact C-O 3.58Å; R453-D495 WeakPolarHBondContact CA-O 3.44Å; R453-D495 HydrophobicContact CG-CB 4.37Å; R453-D495 WeakPolarHBondContact CG-OD2 3.46Å; R453-D495 IonicContact NE-OD2 3.93Å |
| 454 | I | 93 | Very high | 80.6 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 134.6 | -177.9 | -56.4 | -174.9 | 0 | 0 | 0 | 110.9 | H408 V410 L429 L432 L456 L494 D495 I496 H497 | H408-I454 HydrophobicContact CB-CG1 4.3Å; H408-I454 CarbonylContact O-C 3.59Å; H408-I454 WeakPolarHBondContact O-CA 3.41Å; V410-I454 HydrophobicContact CG2-CG2 3.93Å; L429-I454 HydrophobicContact CD2-CD1 3.59Å; L429-I454 HydrophobicContact CD2-CG2 3.81Å; L432-I454 HydrophobicContact CD1-CD1 4.16Å; I454-L456 HydrophobicContact CG2-CD2 4.23Å; I454-L494 HydrophobicContact CD1-CB 4.03Å; I454-L494 HydrophobicContact CD1-CD1 3.55Å; I454-L494 HydrophobicContact CD1-CD2 3.94Å; I454-L494 HydrophobicContact CD1-CG 4.03Å; I454-D495 PolarHBondContact N-O 3.29Å; I454-I496 HydrophobicContact CB-CG1 4.4Å; I454-H497 PolarHBondContact O-N 2.83Å |
| 455 | I | 94.2 | Very high | 81.8 | Confident | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.015 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 127.4 | 175 | -53.4 | 168 | 0 | 0 | 0 | 108.1 | I407 H408 L409 V410 V457 H497 Y501 L516 Y519 L520 | I407-I455 HydrophobicContact CG2-CD1 3.55Å; I407-I455 HydrophobicContact CG2-CG1 4.32Å; H408-I455 PolarHBondContact O-N 3.21Å; L409-I455 CarbonylContact C-O 3.56Å; L409-I455 WeakPolarHBondContact CA-O 3.48Å; L409-I455 HydrophobicContact CD2-CB 4.03Å; L409-I455 HydrophobicContact CD2-CD1 4.48Å; L409-I455 HydrophobicContact CD2-CG2 4.09Å; V410-I455 PolarHBondContact N-O 2.85Å; I455-V457 HydrophobicContact CG2-CG2 4.28Å; I455-H497 HydrophobicContact CG1-CB 4.4Å; I455-Y501 HydrophobicContact CG2-CD2 3.79Å; I455-Y501 HydrophobicContact CG2-CE2 3.97Å; I455-L516 HydrophobicContact CG2-CD1 4.31Å; I455-Y519 HydrophobicContact CD1-CD1 3.88Å; I455-Y519 HydrophobicContact CD1-CE1 3.54Å; I455-Y519 HydrophobicContact CG1-CE1 3.93Å; I455-L520 HydrophobicContact CD1-CD2 3.55Å |
| 456 | L | 94.8 | Very high | 82.8 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 134.8 | 175.2 | -58.1 | -176 | 0 | 0 | 0 | 110.3 | V410 F412 V425 I454 L483 I486 I500 Y501 | V410-L456 HydrophobicContact CB-CD2 3.81Å; V410-L456 HydrophobicContact CG1-CD2 4.26Å; V410-L456 WeakPolarHBondContact O-CA 3.24Å; F412-L456 HydrophobicContact CE1-CB 4.35Å; V425-L456 HydrophobicContact CG1-CD1 4.28Å; V425-L456 HydrophobicContact CG1-CD2 3.81Å; I454-L456 HydrophobicContact CG2-CD2 4.23Å; L456-L483 HydrophobicContact CD1-CD1 4.02Å; L456-I486 HydrophobicContact CD1-CD1 4.07Å; L456-I486 HydrophobicContact CD1-CG2 4.46Å; L456-I500 HydrophobicContact CB-CD1 4.26Å; L456-I500 HydrophobicContact CB-CG1 4Å; L456-I500 HydrophobicContact CB-CG2 4.37Å; L456-I500 HydrophobicContact CD1-CD1 4.02Å; L456-I500 HydrophobicContact CD1-CG1 4.33Å; L456-Y501 PolarHBondContact O-N 2.86Å |
| 457 | V | 94.2 | Very high | 83.6 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 120 | -179.8 | -179.2 | 0 | 0 | 0 | 0 | 110.4 | L316 L409 V410 L411 F412 I455 T459 Y501 L503 | L316-V457 HydrophobicContact CD2-CG1 4.48Å; L409-V457 HydrophobicContact CD2-CG2 3.5Å; L409-V457 VanDerWaalsContact CD2-CG2 3.5Å; V410-V457 PolarHBondContact O-N 2.93Å; L411-V457 WeakPolarHBondContact CA-O 3.38Å; L411-V457 HydrophobicContact CG-CB 4.25Å; F412-V457 WeakPolarHBondContact CD1-O 3.49Å; F412-V457 PolarHBondContact N-O 3.08Å; I455-V457 HydrophobicContact CG2-CG2 4.28Å; V457-T459 HydrophobicContact CG1-CG2 4.42Å; V457-Y501 CarbonylContact C-O 3.56Å; V457-Y501 WeakPolarHBondContact CA-O 3.42Å; V457-L503 HydrophobicContact CG1-CD1 4.3Å; V457-L503 HydrophobicContact CG1-CD2 3.72Å; V457-L503 HydrophobicContact CG1-CG 3.89Å |
| 458 | G | 92.8 | Very high | 84.4 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 119.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y501 L502 L503 | G458-Y501 PolarHBondContact N-O 3.41Å; G458-L502 CarbonylContact O-C 3.54Å; G458-L502 WeakPolarHBondContact O-CA 3.49Å; G458-L503 PolarHBondContact O-N 3.06Å |
| 459 | T | 91.8 | Very high | 85 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 169.2 | 178.8 | 60.9 | 0 | 0 | 0 | 0 | 112 | V311 L411 F412 L414 V457 A461 L503 A505 | V311-T459 WeakPolarHBondContact O-CG2 3.24Å; V311-T459 PolarHBondContact O-OG1 3.43Å; L411-T459 HydrophobicContact CD2-CG2 3.94Å; F412-T459 PolarHBondContact O-N 2.9Å; F412-T459 PolarHBondContact O-OG1 3.37Å; F412-T459 VanDerWaalsContact O-OG1 3.11Å; L414-T459 VanDerWaalsContact CB-O 3.26Å; L414-T459 WeakPolarHBondContact CB-O 3.38Å; L414-T459 WeakPolarHBondContact CD1-O 3.27Å; L414-T459 VanDerWaalsContact CG-O 3.28Å; L414-T459 WeakPolarHBondContact CG-O 3.49Å; L414-T459 PolarHBondContact N-O 3.08Å; V457-T459 HydrophobicContact CG1-CG2 4.42Å; T459-A461 VanDerWaalsContact C-N 3.31Å; T459-A461 PolarHBondContact O-N 2.71Å; T459-L503 CarbonylContact C-O 3.52Å; T459-L503 WeakPolarHBondContact CA-O 3.35Å; T459-L503 HydrophobicContact CG2-CD1 4.43Å; T459-A505 HydrophobicContact CG2-CB 4.36Å |
| 460 | H | 89.8 | Confident | 85.3 | Confident | 50 Ų | 50 | 55.9 Ų | 55.9 | 23% | 0.231 | 27% | 0.271 | C | S | . | . | trans | 66.2 | 27.4 | 178.7 | -53.9 | 79.7 | 0 | 0 | 0 | 114 | N413 M415 D462 V463 V464 L503 | N413-H460 PolarHBondContact OD1-ND1 3.36Å; M415-H460 HydrophobicContact CG-CB 4.05Å; H460-D462 VanDerWaalsContact C-OD1 3.28Å; H460-D462 WeakPolarHBondContact CA-OD1 3.44Å; H460-D462 PolarHBondContact O-N 2.93Å; H460-V463 HydrophobicContact CB-CB 4.48Å; H460-V463 HydrophobicContact CB-CG2 4.35Å; H460-V463 PolarHBondContact O-N 3.15Å; H460-V463 VanDerWaalsContact O-N 3.13Å; H460-V464 PolarHBondContact O-N 3.36Å; H460-L503 PolarHBondContact N-O 3Å | ||
| 461 | A | 87 | Confident | 85.4 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.2 | -27.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | L414 T459 Q465 C466 Y474 L503 | L414-A461 HydrophobicContact CD1-CB 3.68Å; T459-A461 VanDerWaalsContact C-N 3.31Å; T459-A461 PolarHBondContact O-N 2.71Å; A461-Q465 PolarHBondContact O-N 3.49Å; A461-C466 PolarHBondContact O-N 2.88Å; A461-Y474 HydrophobicContact CB-CD1 4.04Å; A461-Y474 HydrophobicContact CB-CD2 3.66Å; A461-Y474 HydrophobicContact CB-CE1 4.37Å; A461-Y474 HydrophobicContact CB-CE2 4.01Å; A461-Y474 HydrophobicContact CB-CG 3.67Å; A461-L503 PolarHBondContact N-O 2.97Å |
| 462 | D | 82.8 | Confident | 85.2 | Confident | 39 Ų | 39 | 55 Ų | 55 | 21% | 0.209 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67 | -39.9 | 174.7 | 60.7 | -47.2 | 0 | 0 | 0 | 112.7 | H460 Q465 D504 R506 | H460-D462 VanDerWaalsContact C-OD1 3.28Å; H460-D462 WeakPolarHBondContact CA-OD1 3.44Å; H460-D462 PolarHBondContact O-N 2.93Å; D462-Q465 PolarHBondContact O-N 2.91Å; D462-D504 HydrophobicContact CB-CB 4.02Å; D462-R506 IonicContact OD2-CZ 3.62Å; D462-R506 IonicContact OD2-NE 3.86Å; D462-R506 IonicContact OD2-NH2 2.64Å; D462-R506 PolarHBondContact OD2-NH2 3.29Å |
| 463 | V | 84.2 | Confident | 85.1 | Confident | 67 Ų | 67 | 57 Ų | 57 | 41% | 0.406 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -75 | -37.8 | -178.4 | -170.7 | 0 | 0 | 0 | 0 | 111.1 | M415 H460 Q465 | M415-V463 HydrophobicContact CE-CG1 3.75Å; M415-V463 HydrophobicContact CG-CB 4.46Å; M415-V463 HydrophobicContact CG-CG1 4.45Å; M415-V463 HydrophobicContact SD-CB 3.66Å; M415-V463 HydrophobicContact SD-CG1 3.44Å; M415-V463 WeakPolarHBondContact SD-CG1 3.43Å; H460-V463 HydrophobicContact CB-CB 4.48Å; H460-V463 HydrophobicContact CB-CG2 4.35Å; H460-V463 PolarHBondContact O-N 3.15Å; H460-V463 VanDerWaalsContact O-N 3.13Å; V463-Q465 PolarHBondContact O-N 2.55Å |
| 464 | V | 81.6 | Confident | 84.7 | Confident | 61 Ų | 61 | 56.1 Ų | 56.1 | 37% | 0.37 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -72.7 | -14 | 177.9 | -176.8 | 0 | 0 | 0 | 0 | 112.3 | L414 M415 H460 C466 | L414-V464 HydrophobicContact CB-CG2 3.73Å; M415-V464 HydrophobicContact CG-CG2 3.97Å; M415-V464 HydrophobicContact SD-CB 4.32Å; M415-V464 HydrophobicContact SD-CG2 3.27Å; M415-V464 WeakPolarHBondContact SD-CG2 3.26Å; H460-V464 PolarHBondContact O-N 3.36Å; V464-C466 VanDerWaalsContact C-N 3.31Å; V464-C466 PolarHBondContact O-N 2.61Å |
| 465 | Q | 73.4 | Confident | 84.3 | Confident | 170 Ų | 170 | 60.6 Ų | 60.6 | 79% | 0.794 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 44.6 | -172.8 | -57.4 | -176 | -9.7 | 0 | 0 | 112.4 | A461 D462 V463 | A461-Q465 PolarHBondContact O-N 3.49Å; D462-Q465 PolarHBondContact O-N 2.91Å; V463-Q465 PolarHBondContact O-N 2.55Å |
| 466 | C | 75.7 | Confident | 83.8 | Confident | 17 Ų | 17 | 61.9 Ų | 61.9 | 12% | 0.115 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -55.3 | 141.9 | 176.6 | -71.4 | 0 | 0 | 0 | 0 | 111.1 | A461 V464 Y474 | A461-C466 PolarHBondContact O-N 2.88Å; V464-C466 VanDerWaalsContact C-N 3.31Å; V464-C466 PolarHBondContact O-N 2.61Å; C466-Y474 HydrophobicContact CB-CD1 3.87Å |
| 467 | Q | 77.8 | Confident | 83.3 | Confident | 157 Ų | 157 | 68 Ų | 68 | 73% | 0.734 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 146.3 | 176.3 | -66.6 | -170.5 | -2.9 | 0 | 0 | 109.8 | Y475 | Q467-Y475 PolarHBondContact O-N 3.38Å |
| 468 | K | 81.9 | Confident | 82.9 | Confident | 118 Ų | 118 | 72.8 Ų | 72.8 | 51% | 0.513 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 136.6 | 172.6 | -68.4 | -173.2 | 172.2 | -151 | 0 | 109.7 | G472 F473 Y474 | K468-G472 WeakPolarHBondContact CD-O 3.33Å; K468-F473 CarbonylContact C-O 3.56Å; K468-F473 VanDerWaalsContact CA-O 3.23Å; K468-F473 WeakPolarHBondContact CA-O 3.47Å; K468-Y474 HydrophobicContact CD-CE1 4.49Å; K468-Y474 VanDerWaalsContact CE-CE1 3.41Å; K468-Y474 HydrophobicContact CG-CD1 4.05Å; K468-Y474 HydrophobicContact CG-CE1 4.23Å |
| 469 | D | 82 | Confident | 82.5 | Confident | 59 Ų | 59 | 72.9 Ų | 72.9 | 32% | 0.316 | 36% | 0.357 | S | S | . | . | trans | -69.9 | -179.5 | 174.6 | 77.2 | -5.2 | 0 | 0 | 0 | 111.6 | N471 G472 F473 | D469-N471 PolarHBondContact O-N 2.95Å; D469-N471 VanDerWaalsContact O-N 3.1Å; D469-N471 VanDerWaalsContact OD1-C 3.32Å; D469-N471 WeakPolarHBondContact OD1-CA 3.39Å; D469-N471 WeakPolarHBondContact OD1-CB 3.49Å; D469-N471 PolarHBondContact OD1-N 3.38Å; D469-G472 PolarHBondContact O-N 2.99Å; D469-G472 PolarHBondContact OD1-N 3.28Å; D469-F473 PolarHBondContact N-O 3.24Å; D469-F473 PolarHBondContact OD1-N 3.08Å | ||
| 470 | Q | 78.9 | Confident | 82 | Confident | 200 Ų | 200 | 76 Ų | 76 | 94% | 0.935 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -18.5 | 179.5 | -62.5 | -179.6 | 5.1 | 0 | 0 | 113.5 | ||
| 471 | N | 78.9 | Confident | 81.8 | Confident | 116 Ų | 116 | 78.1 Ų | 78.1 | 62% | 0.62 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | -1.2 | -178.7 | -61.4 | -35.4 | 0 | 0 | 0 | 112.2 | D469 F473 | D469-N471 PolarHBondContact O-N 2.95Å; D469-N471 VanDerWaalsContact O-N 3.1Å; D469-N471 VanDerWaalsContact OD1-C 3.32Å; D469-N471 WeakPolarHBondContact OD1-CA 3.39Å; D469-N471 WeakPolarHBondContact OD1-CB 3.49Å; D469-N471 PolarHBondContact OD1-N 3.38Å; N471-F473 HydrophobicContact CB-CD2 3.63Å; N471-F473 HydrophobicContact CB-CE2 3.78Å |
| 472 | G | 78.8 | Confident | 81.8 | Confident | 24 Ų | 24 | 78.2 Ų | 78.2 | 25% | 0.247 | 39% | 0.387 | C | S | . | . | S | Bend | trans | 87.4 | 8.1 | 178 | 0 | 0 | 0 | 0 | 0 | 115.1 | K468 D469 | K468-G472 WeakPolarHBondContact CD-O 3.33Å; D469-G472 PolarHBondContact O-N 2.99Å; D469-G472 PolarHBondContact OD1-N 3.28Å |
| 473 | F | 83.2 | Confident | 82 | Confident | 46 Ų | 46 | 76.7 Ų | 76.7 | 20% | 0.202 | 38% | 0.379 | C | S | . | . | trans | -84.4 | 142.8 | 176.2 | -63.2 | -78.4 | 0 | 0 | 0 | 111.2 | K468 D469 N471 Y475 L511 E512 Q515 | K468-F473 CarbonylContact C-O 3.56Å; K468-F473 VanDerWaalsContact CA-O 3.23Å; K468-F473 WeakPolarHBondContact CA-O 3.47Å; D469-F473 PolarHBondContact N-O 3.24Å; D469-F473 PolarHBondContact OD1-N 3.08Å; N471-F473 HydrophobicContact CB-CD2 3.63Å; N471-F473 HydrophobicContact CB-CE2 3.78Å; F473-Y475 PolarHBondContact O-N 3.03Å; F473-L511 HydrophobicContact CD1-CB 4.47Å; F473-L511 HydrophobicContact CE1-CB 4.01Å; F473-L511 HydrophobicContact CE1-CD2 4.43Å; F473-L511 HydrophobicContact CZ-CD2 4.21Å; F473-E512 WeakPolarHBondContact CA-OE1 3.22Å; F473-E512 HydrophobicContact CD1-CG 3.94Å; F473-Q515 HydrophobicContact CE1-CB 4.36Å | ||
| 474 | Y | 82.9 | Confident | 82.1 | Confident | 48 Ų | 48 | 80.2 Ų | 80.2 | 19% | 0.188 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 134.7 | 170.2 | -69.1 | -67.6 | 0 | 0 | 0 | 111.9 | A461 C466 K468 E512 | A461-Y474 HydrophobicContact CB-CD1 4.04Å; A461-Y474 HydrophobicContact CB-CD2 3.66Å; A461-Y474 HydrophobicContact CB-CE1 4.37Å; A461-Y474 HydrophobicContact CB-CE2 4.01Å; A461-Y474 HydrophobicContact CB-CG 3.67Å; C466-Y474 HydrophobicContact CB-CD1 3.87Å; K468-Y474 HydrophobicContact CD-CE1 4.49Å; K468-Y474 VanDerWaalsContact CE-CE1 3.41Å; K468-Y474 HydrophobicContact CG-CD1 4.05Å; K468-Y474 HydrophobicContact CG-CE1 4.23Å; Y474-E512 HydrophobicContact CD2-CG 4.21Å; Y474-E512 WeakPolarHBondContact CD2-OE1 3.49Å; Y474-E512 PolarHBondContact N-OE1 2.63Å |
| 475 | Y | 83.3 | Confident | 82.6 | Confident | 96 Ų | 96 | 80.8 Ų | 80.8 | 38% | 0.376 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 131 | -176.7 | 179.6 | -89.3 | 0 | 0 | 0 | 110.1 | Q467 F473 E477 L480 | Q467-Y475 PolarHBondContact O-N 3.38Å; F473-Y475 PolarHBondContact O-N 3.03Å; Y475-E477 HydrophobicContact CE1-CB 3.92Å; Y475-L480 HydrophobicContact CD2-CD1 3.83Å; Y475-L480 HydrophobicContact CE2-CD1 3.09Å; Y475-L480 HydrophobicContact CE2-CG 4.43Å |
| 476 | D | 84 | Confident | 83.4 | Confident | 30 Ų | 30 | 72.7 Ų | 72.7 | 16% | 0.16 | 35% | 0.349 | C | S | . | . | trans | -135.4 | 112.3 | 171.9 | 176.5 | 20.3 | 0 | 0 | 0 | 108.9 | R421 E478 T479 L480 L502 | R421-D476 IonicContact NH1-OD2 2.9Å; R421-D476 PolarHBondContact NH1-OD2 3.24Å; D476-E478 VanDerWaalsContact C-N 3.3Å; D476-E478 PolarHBondContact O-N 3.39Å; D476-E478 PolarHBondContact OD1-N 3.37Å; D476-T479 PolarHBondContact O-N 3.36Å; D476-T479 WeakPolarHBondContact OD2-CB 3.1Å; D476-T479 PolarHBondContact OD2-N 3.22Å; D476-T479 PolarHBondContact OD2-OG1 2.86Å; D476-L480 PolarHBondContact O-N 3.01Å; D476-L480 VanDerWaalsContact O-N 3.16Å; D476-L502 HydrophobicContact CB-CD1 3.83Å | ||
| 477 | E | 84 | Confident | 84 | Confident | 130 Ų | 130 | 74.1 Ų | 74.1 | 61% | 0.607 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -62.3 | -37.9 | -176.5 | -168.6 | 174.3 | -175.9 | 0 | 0 | 111.8 | Y475 T479 L480 L481 | Y475-E477 HydrophobicContact CE1-CB 3.92Å; E477-T479 VanDerWaalsContact C-N 3.31Å; E477-T479 PolarHBondContact O-N 3.38Å; E477-L480 PolarHBondContact O-N 2.91Å; E477-L481 PolarHBondContact O-N 2.93Å; E477-L481 VanDerWaalsContact O-N 3.11Å |
| 478 | E | 85.6 | Confident | 84.5 | Confident | 100 Ų | 100 | 72.3 Ų | 72.3 | 47% | 0.467 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.8 | -38.9 | 177.8 | -64.4 | -172.3 | 168.2 | 0 | 0 | 111.2 | L418 R421 D476 L480 L481 F482 | L418-E478 HydrophobicContact CD1-CB 4.08Å; L418-E478 HydrophobicContact CD2-CB 4.32Å; R421-E478 IonicContact NH2-OE2 3.41Å; D476-E478 VanDerWaalsContact C-N 3.3Å; D476-E478 PolarHBondContact O-N 3.39Å; D476-E478 PolarHBondContact OD1-N 3.37Å; E478-L480 VanDerWaalsContact C-N 3.33Å; E478-L480 PolarHBondContact O-N 2.88Å; E478-L481 PolarHBondContact O-N 3.11Å; E478-F482 VanDerWaalsContact O-CB 3.23Å; E478-F482 WeakPolarHBondContact O-CB 3.23Å; E478-F482 PolarHBondContact O-N 2.91Å |
| 479 | T | 84.5 | Confident | 84.9 | Confident | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.012 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -69.2 | -29.7 | 177.7 | -66.3 | 0 | 0 | 0 | 0 | 112.2 | F412 R421 D476 E477 F482 L483 I500 L502 | F412-T479 HydrophobicContact CE2-CG2 4.26Å; F412-T479 HydrophobicContact CZ-CG2 3.84Å; R421-T479 PolarHBondContact NH1-OG1 3.43Å; D476-T479 PolarHBondContact O-N 3.36Å; D476-T479 WeakPolarHBondContact OD2-CB 3.1Å; D476-T479 PolarHBondContact OD2-N 3.22Å; D476-T479 PolarHBondContact OD2-OG1 2.86Å; E477-T479 VanDerWaalsContact C-N 3.31Å; E477-T479 PolarHBondContact O-N 3.38Å; T479-F482 HydrophobicContact CG2-CD1 4.15Å; T479-F482 WeakPolarHBondContact O-CB 3.38Å; T479-L483 PolarHBondContact O-N 3.19Å; T479-I500 HydrophobicContact CG2-CD1 3.73Å; T479-I500 HydrophobicContact CG2-CG2 4.14Å; T479-L502 HydrophobicContact CG2-CD2 3.89Å |
| 480 | L | 82 | Confident | 85.2 | Confident | 65 Ų | 65 | 68.4 Ų | 68.4 | 34% | 0.34 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -74.2 | -39.5 | 174.3 | -72.7 | 174.5 | 0 | 0 | 0 | 113.4 | Y475 D476 E477 E478 F482 L483 K484 | Y475-L480 HydrophobicContact CD2-CD1 3.83Å; Y475-L480 HydrophobicContact CE2-CD1 3.09Å; Y475-L480 HydrophobicContact CE2-CG 4.43Å; D476-L480 PolarHBondContact O-N 3.01Å; D476-L480 VanDerWaalsContact O-N 3.16Å; E477-L480 PolarHBondContact O-N 2.91Å; E478-L480 VanDerWaalsContact C-N 3.33Å; E478-L480 PolarHBondContact O-N 2.88Å; L480-F482 VanDerWaalsContact C-N 3.28Å; L480-L483 WeakPolarHBondContact O-CB 3.33Å; L480-L483 PolarHBondContact O-N 3.24Å; L480-K484 PolarHBondContact O-N 3.14Å |
| 481 | L | 85.8 | Confident | 85.5 | Confident | 96 Ų | 96 | 63.3 Ų | 63.3 | 50% | 0.503 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.7 | -43.1 | 171.1 | -74.5 | 167.2 | 0 | 0 | 0 | 110.4 | E477 E478 L483 K484 E485 | E477-L481 PolarHBondContact O-N 2.93Å; E477-L481 VanDerWaalsContact O-N 3.11Å; E478-L481 PolarHBondContact O-N 3.11Å; L481-L483 VanDerWaalsContact C-N 3.33Å; L481-L483 PolarHBondContact O-N 2.93Å; L481-K484 PolarHBondContact O-N 2.72Å; L481-E485 PolarHBondContact O-N 2.98Å; L481-E485 VanDerWaalsContact O-N 3.09Å |
| 482 | F | 87.3 | Confident | 85.6 | Confident | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.009 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -56.4 | -41.5 | 172.7 | 161.7 | -116.9 | 0 | 0 | 0 | 113.3 | F412 R422 V425 E478 T479 L480 E485 I486 I500 | F412-F482 HydrophobicContact CE1-CE1 4.3Å; F412-F482 HydrophobicContact CZ-CE1 4.22Å; R422-F482 HydrophobicContact CB-CE2 4.24Å; R422-F482 HydrophobicContact CG-CD2 3.5Å; R422-F482 HydrophobicContact CG-CE2 3.66Å; R422-F482 HydrophobicContact CG-CG 4.49Å; V425-F482 HydrophobicContact CB-CE2 4.46Å; V425-F482 HydrophobicContact CB-CZ 3.75Å; V425-F482 HydrophobicContact CG1-CZ 4Å; V425-F482 HydrophobicContact CG2-CE1 4.38Å; V425-F482 HydrophobicContact CG2-CZ 3.76Å; E478-F482 VanDerWaalsContact O-CB 3.23Å; E478-F482 WeakPolarHBondContact O-CB 3.23Å; E478-F482 PolarHBondContact O-N 2.91Å; T479-F482 HydrophobicContact CG2-CD1 4.15Å; T479-F482 WeakPolarHBondContact O-CB 3.38Å; L480-F482 VanDerWaalsContact C-N 3.28Å; F482-E485 PolarHBondContact O-N 3.11Å; F482-I486 HydrophobicContact CD2-CD1 3.91Å; F482-I486 HydrophobicContact CD2-CG1 4.29Å; F482-I486 HydrophobicContact CE1-CD1 4.05Å; F482-I486 HydrophobicContact CE2-CD1 3.16Å; F482-I486 HydrophobicContact CE2-CG1 3.91Å; F482-I486 HydrophobicContact CZ-CD1 3.26Å; F482-I486 HydrophobicContact CZ-CG1 4.43Å; F482-I486 PolarHBondContact O-N 2.96Å; F482-I486 VanDerWaalsContact O-N 3.13Å; F482-I500 HydrophobicContact CD1-CD1 4.17Å; F482-I500 HydrophobicContact CE1-CD1 4.33Å |
| 483 | L | 85.8 | Confident | 85.8 | Confident | 7 Ų | 7 | 64.2 Ų | 64.2 | 4% | 0.037 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61 | -46.9 | 174.6 | -178.9 | 58.6 | 0 | 0 | 0 | 112.2 | L456 T479 L480 L481 E485 I486 I487 I496 E498 I500 | L456-L483 HydrophobicContact CD1-CD1 4.02Å; T479-L483 PolarHBondContact O-N 3.19Å; L480-L483 WeakPolarHBondContact O-CB 3.33Å; L480-L483 PolarHBondContact O-N 3.24Å; L481-L483 VanDerWaalsContact C-N 3.33Å; L481-L483 PolarHBondContact O-N 2.93Å; L483-E485 VanDerWaalsContact C-N 3.3Å; L483-E485 PolarHBondContact O-N 3.08Å; L483-I486 PolarHBondContact O-N 2.89Å; L483-I486 VanDerWaalsContact O-N 3.16Å; L483-I487 HydrophobicContact CD1-CD1 3.8Å; L483-I487 HydrophobicContact CD1-CG1 3.99Å; L483-I487 HydrophobicContact CD2-CD1 4.28Å; L483-I487 HydrophobicContact CG-CD1 3.74Å; L483-I487 HydrophobicContact CG-CG1 4.3Å; L483-I487 WeakPolarHBondContact O-CG1 3.43Å; L483-I487 PolarHBondContact O-N 2.98Å; L483-I496 HydrophobicContact CD1-CG2 4.49Å; L483-E498 WeakPolarHBondContact CD2-O 3.4Å; L483-I500 HydrophobicContact CB-CD1 3.62Å; L483-I500 HydrophobicContact CB-CG1 4Å; L483-I500 HydrophobicContact CD1-CD1 3.84Å; L483-I500 HydrophobicContact CD1-CG1 3.62Å; L483-I500 HydrophobicContact CD2-CD1 4.35Å; L483-I500 HydrophobicContact CD2-CG1 3.75Å; L483-I500 HydrophobicContact CG-CD1 4.1Å; L483-I500 HydrophobicContact CG-CG1 3.96Å |
| 484 | K | 87.9 | Confident | 86 | Confident | 141 Ų | 141 | 62.3 Ų | 62.3 | 61% | 0.613 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -61.4 | -40.8 | -179 | -70.8 | 178.5 | -179.7 | 176.2 | 0 | 111.6 | L480 L481 L488 | L480-K484 PolarHBondContact O-N 3.14Å; L481-K484 PolarHBondContact O-N 2.72Å; K484-L488 WeakPolarHBondContact O-CB 3.39Å; K484-L488 WeakPolarHBondContact O-CG 3.29Å; K484-L488 PolarHBondContact O-N 3.13Å; K484-L488 VanDerWaalsContact O-N 3.14Å |
| 485 | E | 90.8 | Very high | 86.4 | Confident | 72 Ų | 72 | 63.7 Ų | 63.7 | 34% | 0.336 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.5 | -48.3 | 173.7 | -71.6 | 176.5 | -164 | 0 | 0 | 111.1 | R422 L481 F482 L483 L488 E489 | R422-E485 IonicContact CZ-OE1 2.55Å; R422-E485 IonicContact CZ-OE2 3.03Å; R422-E485 IonicContact NE-OE2 2.86Å; R422-E485 IonicContact NH1-OE1 2.73Å; R422-E485 IonicContact NH1-OE2 3.29Å; R422-E485 PolarHBondContact NH1-OE2 2.84Å; R422-E485 VanDerWaalsContact NH2-CD 3.31Å; R422-E485 IonicContact NH2-OE1 3.74Å; R422-E485 PolarHBondContact NH2-OE1 3.28Å; R422-E485 IonicContact NH2-OE2 3.1Å; R422-E485 PolarHBondContact NH2-OE2 3.36Å; R422-E485 VanDerWaalsContact NH2-OE2 3.16Å; L481-E485 PolarHBondContact O-N 2.98Å; L481-E485 VanDerWaalsContact O-N 3.09Å; F482-E485 PolarHBondContact O-N 3.11Å; L483-E485 VanDerWaalsContact C-N 3.3Å; L483-E485 PolarHBondContact O-N 3.08Å; E485-L488 PolarHBondContact O-N 3.31Å; E485-E489 WeakPolarHBondContact O-CB 2.99Å; E485-E489 PolarHBondContact O-N 3.45Å; E485-E489 VanDerWaalsContact O-N 3.12Å |
| 486 | I | 90.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.4 | -46.4 | 179.5 | -75.9 | -180 | 0 | 0 | 0 | 112 | V425 L429 L456 F482 L483 L488 E489 Y490 I496 | V425-I486 HydrophobicContact CB-CD1 4.23Å; V425-I486 HydrophobicContact CG1-CD1 3.46Å; V425-I486 VanDerWaalsContact CG1-CD1 3.46Å; L429-I486 HydrophobicContact CD1-CD1 4.23Å; L429-I486 HydrophobicContact CD1-CG2 3.57Å; L456-I486 HydrophobicContact CD1-CD1 4.07Å; L456-I486 HydrophobicContact CD1-CG2 4.46Å; F482-I486 HydrophobicContact CD2-CD1 3.91Å; F482-I486 HydrophobicContact CD2-CG1 4.29Å; F482-I486 HydrophobicContact CE1-CD1 4.05Å; F482-I486 HydrophobicContact CE2-CD1 3.16Å; F482-I486 HydrophobicContact CE2-CG1 3.91Å; F482-I486 HydrophobicContact CZ-CD1 3.26Å; F482-I486 HydrophobicContact CZ-CG1 4.43Å; F482-I486 PolarHBondContact O-N 2.96Å; F482-I486 VanDerWaalsContact O-N 3.13Å; L483-I486 PolarHBondContact O-N 2.89Å; L483-I486 VanDerWaalsContact O-N 3.16Å; I486-L488 VanDerWaalsContact C-N 3.31Å; I486-L488 PolarHBondContact O-N 3.43Å; I486-E489 PolarHBondContact O-N 2.9Å; I486-Y490 HydrophobicContact CG2-CD2 4.15Å; I486-Y490 WeakPolarHBondContact O-CD2 3.32Å; I486-Y490 PolarHBondContact O-N 2.86Å; I486-I496 HydrophobicContact CG2-CD1 3.46Å; I486-I496 VanDerWaalsContact CG2-CD1 3.46Å |
| 487 | I | 88.7 | Confident | 87.1 | Confident | 47 Ų | 47 | 59.9 Ų | 59.9 | 24% | 0.241 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.7 | -44.3 | -178.5 | -69.5 | 173.1 | 0 | 0 | 0 | 110 | L483 E489 Y490 Q491 I496 | L483-I487 HydrophobicContact CD1-CD1 3.8Å; L483-I487 HydrophobicContact CD1-CG1 3.99Å; L483-I487 HydrophobicContact CD2-CD1 4.28Å; L483-I487 HydrophobicContact CG-CD1 3.74Å; L483-I487 HydrophobicContact CG-CG1 4.3Å; L483-I487 WeakPolarHBondContact O-CG1 3.43Å; L483-I487 PolarHBondContact O-N 2.98Å; I487-E489 VanDerWaalsContact C-N 3.3Å; I487-E489 PolarHBondContact O-N 3.2Å; I487-Y490 PolarHBondContact O-N 2.87Å; I487-Q491 WeakPolarHBondContact O-CA 3.3Å; I487-Q491 WeakPolarHBondContact O-CB 3.42Å; I487-Q491 PolarHBondContact O-N 2.74Å; I487-I496 HydrophobicContact CG1-CB 4.44Å; I487-I496 HydrophobicContact CG1-CG2 4.25Å |
| 488 | L | 89 | Confident | 87.3 | Confident | 120 Ų | 120 | 61.4 Ų | 61.4 | 63% | 0.628 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -61.9 | -37.5 | 177.4 | -74.4 | 168.2 | 0 | 0 | 0 | 112.8 | K484 E485 I486 | K484-L488 WeakPolarHBondContact O-CB 3.39Å; K484-L488 WeakPolarHBondContact O-CG 3.29Å; K484-L488 PolarHBondContact O-N 3.13Å; K484-L488 VanDerWaalsContact O-N 3.14Å; E485-L488 PolarHBondContact O-N 3.31Å; I486-L488 VanDerWaalsContact C-N 3.31Å; I486-L488 PolarHBondContact O-N 3.43Å |
| 489 | E | 88.7 | Confident | 87.4 | Confident | 90 Ų | 90 | 60.5 Ų | 60.5 | 42% | 0.421 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -74.3 | -32.4 | -178.5 | -172.2 | 173 | -173.2 | 0 | 0 | 112.8 | R426 E485 I486 I487 | R426-E489 IonicContact CZ-OE2 3.66Å; R426-E489 VanDerWaalsContact CZ-OE2 3.32Å; R426-E489 IonicContact NE-OE1 3.76Å; R426-E489 IonicContact NE-OE2 3.42Å; R426-E489 PolarHBondContact NE-OE2 3.21Å; R426-E489 IonicContact NH2-OE2 2.78Å; R426-E489 PolarHBondContact NH2-OE2 2.8Å; E485-E489 WeakPolarHBondContact O-CB 2.99Å; E485-E489 PolarHBondContact O-N 3.45Å; E485-E489 VanDerWaalsContact O-N 3.12Å; I486-E489 PolarHBondContact O-N 2.9Å; I487-E489 VanDerWaalsContact C-N 3.3Å; I487-E489 PolarHBondContact O-N 3.2Å |
| 490 | Y | 88.3 | Confident | 87.6 | Confident | 4 Ų | 4 | 61.1 Ų | 61.1 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -116.3 | -1 | -171.2 | -69.6 | -89.5 | 0 | 0 | 0 | 115.8 | L429 D430 I486 I487 D492 K493 L494 I496 | L429-Y490 HydrophobicContact CB-CD1 4.38Å; L429-Y490 HydrophobicContact CB-CE1 3.92Å; L429-Y490 HydrophobicContact CB-CE2 4.41Å; L429-Y490 HydrophobicContact CD1-CD2 3.95Å; L429-Y490 HydrophobicContact CD1-CE2 3.87Å; L429-Y490 HydrophobicContact CD1-CG 4.4Å; D430-Y490 VanDerWaalsContact OD1-CE1 3.3Å; D430-Y490 WeakPolarHBondContact OD1-CE1 3.31Å; D430-Y490 PolarHBondContact OD1-OH 3.24Å; D430-Y490 PolarHBondContact OD2-OH 3.11Å; I486-Y490 HydrophobicContact CG2-CD2 4.15Å; I486-Y490 WeakPolarHBondContact O-CD2 3.32Å; I486-Y490 PolarHBondContact O-N 2.86Å; I487-Y490 PolarHBondContact O-N 2.87Å; Y490-D492 PolarHBondContact O-N 2.74Å; Y490-K493 HydrophobicContact CD1-CD 4.26Å; Y490-K493 WeakPolarHBondContact O-CA 3.26Å; Y490-K493 PolarHBondContact O-N 2.7Å; Y490-L494 HydrophobicContact CD1-CD1 3.84Å; Y490-L494 HydrophobicContact CE1-CD1 4.5Å; Y490-L494 HydrophobicContact CG-CD1 4.48Å; Y490-L494 PolarHBondContact O-N 3.32Å; Y490-I496 HydrophobicContact CG-CD1 4.3Å |
| 491 | Q | 85 | Confident | 88 | Confident | 93 Ų | 93 | 58.5 Ų | 58.5 | 44% | 0.435 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -26.8 | -177.5 | 58.2 | 178.1 | -7.4 | 0 | 0 | 115.6 | I487 | I487-Q491 WeakPolarHBondContact O-CA 3.3Å; I487-Q491 WeakPolarHBondContact O-CB 3.42Å; I487-Q491 PolarHBondContact O-N 2.74Å |
| 492 | D | 81.7 | Confident | 88.3 | Confident | 77 Ų | 77 | 54.5 Ų | 54.5 | 41% | 0.412 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -13 | 178.7 | -63.7 | -43.5 | 0 | 0 | 0 | 112.9 | R447 Y490 | R447-D492 IonicContact CZ-OD1 2.77Å; R447-D492 IonicContact NE-OD1 3.35Å; R447-D492 PolarHBondContact NE-OD1 2.83Å; R447-D492 IonicContact NH2-OD1 2.69Å; R447-D492 PolarHBondContact NH2-OD1 2.78Å; Y490-D492 PolarHBondContact O-N 2.74Å |
| 493 | K | 84.2 | Confident | 88.5 | Confident | 82 Ų | 82 | 54.4 Ų | 54.4 | 36% | 0.357 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -41 | -168.6 | -66.7 | -179.2 | -179 | 176.1 | 0 | 112.9 | Y433 Y490 | Y433-K493 HydrophobicContact CD1-CD 4.26Å; Y433-K493 HydrophobicContact CD2-CB 3.67Å; Y433-K493 HydrophobicContact CD2-CD 4.37Å; Y433-K493 HydrophobicContact CD2-CG 4.22Å; Y433-K493 HydrophobicContact CE1-CD 4.04Å; Y433-K493 HydrophobicContact CE1-CG 4.46Å; Y433-K493 HydrophobicContact CE2-CB 3.57Å; Y433-K493 HydrophobicContact CE2-CD 4.14Å; Y433-K493 HydrophobicContact CE2-CG 3.74Å; Y433-K493 HydrophobicContact CG-CB 4.39Å; Y433-K493 HydrophobicContact CG-CD 4.42Å; Y490-K493 HydrophobicContact CD1-CD 4.26Å; Y490-K493 WeakPolarHBondContact O-CA 3.26Å; Y490-K493 PolarHBondContact O-N 2.7Å |
| 494 | L | 87.3 | Confident | 88.5 | Confident | 6 Ų | 6 | 55.3 Ų | 55.3 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | trans | -140.2 | 148.5 | -170.3 | -60.5 | 167.1 | 0 | 0 | 0 | 110.4 | L429 Y433 A452 I454 Y490 I496 | L429-L494 HydrophobicContact CB-CD1 4.19Å; L429-L494 HydrophobicContact CD2-CD1 4.23Å; Y433-L494 HydrophobicContact CD2-CD2 4.22Å; Y433-L494 HydrophobicContact CD2-CG 4.39Å; A452-L494 HydrophobicContact CB-CD2 4.26Å; I454-L494 HydrophobicContact CD1-CB 4.03Å; I454-L494 HydrophobicContact CD1-CD1 3.55Å; I454-L494 HydrophobicContact CD1-CD2 3.94Å; I454-L494 HydrophobicContact CD1-CG 4.03Å; Y490-L494 HydrophobicContact CD1-CD1 3.84Å; Y490-L494 HydrophobicContact CE1-CD1 4.5Å; Y490-L494 HydrophobicContact CG-CD1 4.48Å; Y490-L494 PolarHBondContact O-N 3.32Å; L494-I496 HydrophobicContact CB-CG1 4.13Å; L494-I496 PolarHBondContact O-N 2.77Å | ||
| 495 | D | 89.6 | Confident | 88.3 | Confident | 78 Ų | 78 | 48.8 Ų | 48.8 | 42% | 0.417 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 92.9 | 174 | -177.7 | 16.8 | 0 | 0 | 0 | 109.2 | M451 A452 R453 I454 | M451-D495 HydrophobicContact CB-CB 4.05Å; A452-D495 PolarHBondContact O-N 2.87Å; R453-D495 CarbonylContact C-O 3.58Å; R453-D495 WeakPolarHBondContact CA-O 3.44Å; R453-D495 HydrophobicContact CG-CB 4.37Å; R453-D495 WeakPolarHBondContact CG-OD2 3.46Å; R453-D495 IonicContact NE-OD2 3.93Å; I454-D495 PolarHBondContact N-O 3.29Å |
| 496 | I | 91.2 | Very high | 87.9 | Confident | 15 Ų | 15 | 52.2 Ų | 52.2 | 8% | 0.077 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 125.4 | -177.3 | -56.2 | -179 | 0 | 0 | 0 | 109.4 | L429 I454 L483 I486 I487 Y490 L494 E498 | L429-I496 HydrophobicContact CD1-CD1 4.16Å; L429-I496 HydrophobicContact CD2-CD1 4.35Å; I454-I496 HydrophobicContact CB-CG1 4.4Å; L483-I496 HydrophobicContact CD1-CG2 4.49Å; I486-I496 HydrophobicContact CG2-CD1 3.46Å; I486-I496 VanDerWaalsContact CG2-CD1 3.46Å; I487-I496 HydrophobicContact CG1-CB 4.44Å; I487-I496 HydrophobicContact CG1-CG2 4.25Å; Y490-I496 HydrophobicContact CG-CD1 4.3Å; L494-I496 HydrophobicContact CB-CG1 4.13Å; L494-I496 PolarHBondContact O-N 2.77Å; I496-E498 PolarHBondContact O-N 3.42Å |
| 497 | H | 92.2 | Very high | 87.5 | Confident | 30 Ų | 30 | 55.3 Ų | 55.3 | 14% | 0.139 | 27% | 0.266 | C | S | . | . | trans | -60.6 | 135.8 | 177.7 | -173.9 | -113 | 0 | 0 | 0 | 112.1 | I454 I455 I499 Y501 Y519 | I454-H497 PolarHBondContact O-N 2.83Å; I455-H497 HydrophobicContact CG1-CB 4.4Å; H497-I499 PolarHBondContact ND1-N 3.11Å; H497-I499 PolarHBondContact ND1-O 3.34Å; H497-I499 PolarHBondContact O-N 3.3Å; H497-I499 VanDerWaalsContact O-N 3.08Å; H497-Y501 AromaticContact CE1-CE2 3.95Å; H497-Y501 AromaticContact ND1-CE2 3.9Å; H497-Y519 AromaticContact CD2-CE1 3.83Å; H497-Y519 AromaticContact CD2-CE2 3.5Å; H497-Y519 VanDerWaalsContact CD2-CE2 3.5Å; H497-Y519 WeakPolarHBondContact CD2-CE2 3.23Å; H497-Y519 AromaticContact CD2-CZ 3.15Å; H497-Y519 PolarHBondContact CD2-OH 3.28Å; H497-Y519 AromaticContact CG-CZ 3.86Å; H497-Y519 AromaticContact NE2-CD2 3.75Å; H497-Y519 AromaticContact NE2-CE1 3.99Å; H497-Y519 AromaticContact NE2-CE2 3.23Å; H497-Y519 WeakPolarHBondContact NE2-CE2 3.44Å; H497-Y519 AromaticContact NE2-CZ 3.37Å | ||
| 498 | E | 88.1 | Confident | 87 | Confident | 162 Ų | 162 | 53.4 Ų | 53.4 | 76% | 0.757 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -68.3 | -8 | -175 | -61.4 | -176.5 | 172.7 | 0 | 0 | 114.5 | L483 I496 | L483-E498 WeakPolarHBondContact CD2-O 3.4Å; I496-E498 PolarHBondContact O-N 3.42Å |
| 499 | I | 87.9 | Confident | 86.7 | Confident | 81 Ų | 81 | 52.3 Ų | 52.3 | 42% | 0.415 | 26% | 0.257 | S | S | . | . | trans | -122.8 | 128.8 | 180 | -50.3 | 172.8 | 0 | 0 | 0 | 109.8 | H497 | H497-I499 PolarHBondContact ND1-N 3.11Å; H497-I499 PolarHBondContact ND1-O 3.34Å; H497-I499 PolarHBondContact O-N 3.3Å; H497-I499 VanDerWaalsContact O-N 3.08Å | ||
| 500 | I | 88.7 | Confident | 86.5 | Confident | 16 Ų | 16 | 48.6 Ų | 48.6 | 8% | 0.082 | 24% | 0.241 | C | C | . | . | trans | -86.8 | 131.1 | 166.3 | -59.8 | -170.1 | 0 | 0 | 0 | 109 | F412 L456 T479 F482 L483 L502 | F412-I500 HydrophobicContact CE1-CG2 4.16Å; F412-I500 HydrophobicContact CZ-CG2 3.99Å; L456-I500 HydrophobicContact CB-CD1 4.26Å; L456-I500 HydrophobicContact CB-CG1 4Å; L456-I500 HydrophobicContact CB-CG2 4.37Å; L456-I500 HydrophobicContact CD1-CD1 4.02Å; L456-I500 HydrophobicContact CD1-CG1 4.33Å; T479-I500 HydrophobicContact CG2-CD1 3.73Å; T479-I500 HydrophobicContact CG2-CG2 4.14Å; F482-I500 HydrophobicContact CD1-CD1 4.17Å; F482-I500 HydrophobicContact CE1-CD1 4.33Å; L483-I500 HydrophobicContact CB-CD1 3.62Å; L483-I500 HydrophobicContact CB-CG1 4Å; L483-I500 HydrophobicContact CD1-CD1 3.84Å; L483-I500 HydrophobicContact CD1-CG1 3.62Å; L483-I500 HydrophobicContact CD2-CD1 4.35Å; L483-I500 HydrophobicContact CD2-CG1 3.75Å; L483-I500 HydrophobicContact CG-CD1 4.1Å; L483-I500 HydrophobicContact CG-CG1 3.96Å; I500-L502 HydrophobicContact CG2-CD2 3.72Å; I500-L502 HydrophobicContact CG2-CG 4.5Å | ||
| 501 | Y | 90.3 | Very high | 86.4 | Confident | 9 Ų | 9 | 53 Ų | 53 | 4% | 0.035 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 111.4 | 173 | -64.7 | -85.6 | 0 | 0 | 0 | 109.9 | I455 L456 V457 G458 H497 Q515 L516 Y519 | I455-Y501 HydrophobicContact CG2-CD2 3.79Å; I455-Y501 HydrophobicContact CG2-CE2 3.97Å; L456-Y501 PolarHBondContact O-N 2.86Å; V457-Y501 CarbonylContact C-O 3.56Å; V457-Y501 WeakPolarHBondContact CA-O 3.42Å; G458-Y501 PolarHBondContact N-O 3.41Å; H497-Y501 AromaticContact CE1-CE2 3.95Å; H497-Y501 AromaticContact ND1-CE2 3.9Å; Y501-Q515 HydrophobicContact CE1-CB 4.16Å; Y501-Q515 HydrophobicContact CE1-CG 3.9Å; Y501-L516 HydrophobicContact CD1-CB 4.05Å; Y501-L516 HydrophobicContact CD1-CD1 4.5Å; Y501-L516 HydrophobicContact CD2-CD1 3.66Å; Y501-L516 HydrophobicContact CE1-CB 4.26Å; Y501-L516 HydrophobicContact CE2-CD1 3.84Å; Y501-L516 HydrophobicContact CG-CB 4.27Å; Y501-L516 HydrophobicContact CG-CD1 4.01Å; Y501-Y519 HydrophobicContact CE2-CD1 4.43Å; Y501-Y519 WeakPolarHBondContact OH-CB 3.35Å |
| 502 | L | 91.3 | Very high | 86.5 | Confident | 12 Ų | 12 | 49 Ų | 49 | 6% | 0.063 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 121 | 171.8 | -54 | -176.7 | 0 | 0 | 0 | 108.2 | F412 L414 G458 D476 T479 I500 E512 | F412-L502 HydrophobicContact CZ-CD2 4.48Å; L414-L502 HydrophobicContact CD1-CB 4.37Å; L414-L502 HydrophobicContact CD1-CD2 4.11Å; L414-L502 HydrophobicContact CD2-CD2 4Å; G458-L502 CarbonylContact O-C 3.54Å; G458-L502 WeakPolarHBondContact O-CA 3.49Å; D476-L502 HydrophobicContact CB-CD1 3.83Å; T479-L502 HydrophobicContact CG2-CD2 3.89Å; I500-L502 HydrophobicContact CG2-CD2 3.72Å; I500-L502 HydrophobicContact CG2-CG 4.5Å; L502-E512 WeakPolarHBondContact O-CG 3.47Å |
| 503 | L | 91 | Very high | 86.8 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -147.1 | 159 | -172.6 | 58.8 | 81.9 | 0 | 0 | 0 | 113.6 | L316 V457 G458 T459 H460 A461 A505 E512 M513 L516 | L316-L503 HydrophobicContact CD1-CD1 4.13Å; L316-L503 HydrophobicContact CD1-CD2 4.33Å; V457-L503 HydrophobicContact CG1-CD1 4.3Å; V457-L503 HydrophobicContact CG1-CD2 3.72Å; V457-L503 HydrophobicContact CG1-CG 3.89Å; G458-L503 PolarHBondContact O-N 3.06Å; T459-L503 CarbonylContact C-O 3.52Å; T459-L503 WeakPolarHBondContact CA-O 3.35Å; T459-L503 HydrophobicContact CG2-CD1 4.43Å; H460-L503 PolarHBondContact N-O 3Å; A461-L503 PolarHBondContact N-O 2.97Å; L503-A505 HydrophobicContact CD1-CB 4Å; L503-E512 HydrophobicContact CB-CB 3.95Å; L503-M513 HydrophobicContact CD1-CE 3.99Å; L503-M513 HydrophobicContact CD2-CE 3.98Å; L503-L516 HydrophobicContact CD2-CD2 3.84Å | ||
| 504 | D | 86.8 | Confident | 87 | Confident | 26 Ų | 26 | 47.2 Ų | 47.2 | 14% | 0.139 | 23% | 0.234 | C | C | . | . | trans | -85.3 | 115.6 | 158.2 | 178.6 | 6.1 | 0 | 0 | 0 | 108.3 | D462 R506 D507 | D462-D504 HydrophobicContact CB-CB 4.02Å; D504-R506 PolarHBondContact O-N 2.91Å; D504-R506 VanDerWaalsContact OD1-CB 3.32Å; D504-R506 WeakPolarHBondContact OD1-CB 3.48Å; D504-R506 PolarHBondContact OD1-N 2.95Å; D504-R506 IonicContact OD1-NE 3.65Å; D504-D507 PolarHBondContact O-N 2.86Å | ||
| 505 | A | 84 | Confident | 87.1 | Confident | 5 Ų | 5 | 50.2 Ų | 50.2 | 4% | 0.041 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -69.2 | -16.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q315 L316 S319 T459 L503 | Q315-A505 HydrophobicContact CB-CB 4.16Å; Q315-A505 HydrophobicContact CG-CB 4.06Å; Q315-A505 WeakPolarHBondContact CG-O 3.39Å; L316-A505 HydrophobicContact CB-CB 4.41Å; S319-A505 VanDerWaalsContact CB-O 3.23Å; S319-A505 WeakPolarHBondContact CB-O 3.47Å; S319-A505 PolarHBondContact OG-O 3.12Å; T459-A505 HydrophobicContact CG2-CB 4.36Å; L503-A505 HydrophobicContact CD1-CB 4Å |
| 506 | R | 82.3 | Confident | 87.2 | Confident | 144 Ų | 144 | 46.5 Ų | 46.5 | 54% | 0.543 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -80 | -31.2 | 178.9 | -64 | -179.5 | -78.6 | -165.9 | -5.7 | 112.8 | Q315 D462 D504 G508 | Q315-R506 HydrophobicContact CG-CG 3.82Å; D462-R506 IonicContact OD2-CZ 3.62Å; D462-R506 IonicContact OD2-NE 3.86Å; D462-R506 IonicContact OD2-NH2 2.64Å; D462-R506 PolarHBondContact OD2-NH2 3.29Å; D504-R506 PolarHBondContact O-N 2.91Å; D504-R506 VanDerWaalsContact OD1-CB 3.32Å; D504-R506 WeakPolarHBondContact OD1-CB 3.48Å; D504-R506 PolarHBondContact OD1-N 2.95Å; D504-R506 IonicContact OD1-NE 3.65Å; R506-G508 PolarHBondContact O-N 2.81Å |
| 507 | D | 80.9 | Confident | 87.1 | Confident | 64 Ų | 64 | 48.3 Ų | 48.3 | 34% | 0.342 | 24% | 0.236 | S | C | . | . | trans | -94.4 | 92 | 178.9 | -175.7 | 8.6 | 0 | 0 | 0 | 112.1 | D504 T509 S510 | D504-D507 PolarHBondContact O-N 2.86Å; D507-T509 PolarHBondContact O-N 3.46Å; D507-T509 WeakPolarHBondContact OD1-CA 3.17Å; D507-T509 PolarHBondContact OD1-N 3.22Å; D507-T509 PolarHBondContact OD1-OG1 2.87Å; D507-S510 WeakPolarHBondContact O-CB 3.22Å; D507-S510 PolarHBondContact O-N 3.26Å; D507-S510 PolarHBondContact O-OG 3.42Å; D507-S510 PolarHBondContact OD1-N 2.88Å | ||
| 508 | G | 78.5 | Confident | 87 | Confident | 8 Ų | 8 | 50.8 Ų | 50.8 | 8% | 0.082 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -7.2 | 175 | 0 | 0 | 0 | 0 | 0 | 115.5 | R506 K517 | R506-G508 PolarHBondContact O-N 2.81Å; G508-K517 PolarHBondContact O-NZ 3.36Å |
| 509 | T | 82.5 | Confident | 87.2 | Confident | 97 Ų | 97 | 45.9 Ų | 45.9 | 60% | 0.595 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | -3.5 | -179.2 | 65.1 | 0 | 0 | 0 | 0 | 114.4 | D507 K514 | D507-T509 PolarHBondContact O-N 3.46Å; D507-T509 WeakPolarHBondContact OD1-CA 3.17Å; D507-T509 PolarHBondContact OD1-N 3.22Å; D507-T509 PolarHBondContact OD1-OG1 2.87Å; T509-K514 VanDerWaalsContact O-CE 3.31Å; T509-K514 WeakPolarHBondContact O-CE 3.23Å; T509-K514 PolarHBondContact O-NZ 2.52Å |
| 510 | S | 85.2 | Confident | 87.3 | Confident | 12 Ų | 12 | 42.2 Ų | 42.2 | 8% | 0.084 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -55.7 | 154.5 | 176.8 | 60 | 0 | 0 | 0 | 0 | 113.1 | D507 E512 M513 K514 | D507-S510 WeakPolarHBondContact O-CB 3.22Å; D507-S510 PolarHBondContact O-N 3.26Å; D507-S510 PolarHBondContact O-OG 3.42Å; D507-S510 PolarHBondContact OD1-N 2.88Å; S510-E512 VanDerWaalsContact C-N 3.31Å; S510-E512 WeakPolarHBondContact CB-OE2 3.47Å; S510-E512 PolarHBondContact O-N 2.88Å; S510-M513 PolarHBondContact O-N 3.33Å; S510-M513 WeakPolarHBondContact OG-CB 3.48Å; S510-M513 PolarHBondContact OG-N 3.17Å; S510-K514 WeakPolarHBondContact O-CG 3.28Å; S510-K514 PolarHBondContact O-N 3.11Å |
| 511 | L | 86.3 | Confident | 87.4 | Confident | 96 Ų | 96 | 43.4 Ų | 43.4 | 50% | 0.503 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.9 | -41.5 | -179.3 | -105.4 | 152.9 | 0 | 0 | 0 | 110.8 | F473 K514 Q515 | F473-L511 HydrophobicContact CD1-CB 4.47Å; F473-L511 HydrophobicContact CE1-CB 4.01Å; F473-L511 HydrophobicContact CE1-CD2 4.43Å; F473-L511 HydrophobicContact CZ-CD2 4.21Å; L511-K514 WeakPolarHBondContact O-CB 3.34Å; L511-K514 PolarHBondContact O-N 2.98Å; L511-Q515 PolarHBondContact O-N 2.86Å |
| 512 | E | 87.8 | Confident | 87.5 | Confident | 9 Ų | 9 | 47.2 Ų | 47.2 | 4% | 0.042 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.7 | -48.5 | 175.8 | -59.1 | 72 | -177.2 | 0 | 0 | 111 | F473 Y474 L502 L503 S510 K514 Q515 L516 | F473-E512 WeakPolarHBondContact CA-OE1 3.22Å; F473-E512 HydrophobicContact CD1-CG 3.94Å; Y474-E512 HydrophobicContact CD2-CG 4.21Å; Y474-E512 WeakPolarHBondContact CD2-OE1 3.49Å; Y474-E512 PolarHBondContact N-OE1 2.63Å; L502-E512 WeakPolarHBondContact O-CG 3.47Å; L503-E512 HydrophobicContact CB-CB 3.95Å; S510-E512 VanDerWaalsContact C-N 3.31Å; S510-E512 WeakPolarHBondContact CB-OE2 3.47Å; S510-E512 PolarHBondContact O-N 2.88Å; E512-K514 VanDerWaalsContact C-N 3.33Å; E512-K514 PolarHBondContact O-N 3.3Å; E512-Q515 PolarHBondContact O-N 3.31Å; E512-L516 WeakPolarHBondContact O-CB 3.47Å; E512-L516 PolarHBondContact O-N 3.18Å |
| 513 | M | 87.3 | Confident | 87.4 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.3 | -38.6 | 178.3 | -170.5 | 66.2 | 60.8 | 0 | 0 | 111.7 | L316 L320 L503 S510 L516 K517 | L316-M513 HydrophobicContact CD1-CE 3.54Å; L316-M513 HydrophobicContact CD1-SD 3.98Å; L320-M513 HydrophobicContact CD2-SD 4.04Å; L503-M513 HydrophobicContact CD1-CE 3.99Å; L503-M513 HydrophobicContact CD2-CE 3.98Å; S510-M513 PolarHBondContact O-N 3.33Å; S510-M513 WeakPolarHBondContact OG-CB 3.48Å; S510-M513 PolarHBondContact OG-N 3.17Å; M513-L516 PolarHBondContact O-N 2.8Å; M513-L516 HydrophobicContact SD-CD2 4.4Å; M513-K517 HydrophobicContact CG-CD 4.26Å; M513-K517 WeakPolarHBondContact O-CB 3.16Å; M513-K517 VanDerWaalsContact O-CG 3.29Å; M513-K517 WeakPolarHBondContact O-CG 3.09Å; M513-K517 PolarHBondContact O-N 3.29Å |
| 514 | K | 87.9 | Confident | 87.3 | Confident | 121 Ų | 121 | 48 Ų | 48 | 53% | 0.526 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.7 | -42.5 | 174.9 | -74 | 173.2 | -178.9 | 166.8 | 0 | 111.3 | T509 S510 L511 E512 K517 T518 | T509-K514 VanDerWaalsContact O-CE 3.31Å; T509-K514 WeakPolarHBondContact O-CE 3.23Å; T509-K514 PolarHBondContact O-NZ 2.52Å; S510-K514 WeakPolarHBondContact O-CG 3.28Å; S510-K514 PolarHBondContact O-N 3.11Å; L511-K514 WeakPolarHBondContact O-CB 3.34Å; L511-K514 PolarHBondContact O-N 2.98Å; E512-K514 VanDerWaalsContact C-N 3.33Å; E512-K514 PolarHBondContact O-N 3.3Å; K514-K517 PolarHBondContact O-N 3.32Å; K514-T518 WeakPolarHBondContact O-CB 3.37Å; K514-T518 PolarHBondContact O-N 3.47Å; K514-T518 PolarHBondContact O-OG1 3.38Å |
| 515 | Q | 89.9 | Confident | 87.5 | Confident | 70 Ų | 70 | 50.1 Ų | 50.1 | 33% | 0.327 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.4 | -46 | 177 | -165.7 | -175.1 | 3.8 | 0 | 0 | 111.2 | F473 Y501 L511 E512 K517 T518 Y519 | F473-Q515 HydrophobicContact CE1-CB 4.36Å; Y501-Q515 HydrophobicContact CE1-CB 4.16Å; Y501-Q515 HydrophobicContact CE1-CG 3.9Å; L511-Q515 PolarHBondContact O-N 2.86Å; E512-Q515 PolarHBondContact O-N 3.31Å; Q515-K517 PolarHBondContact O-N 3.41Å; Q515-T518 WeakPolarHBondContact O-CB 3.47Å; Q515-T518 PolarHBondContact O-N 3.46Å; Q515-Y519 PolarHBondContact O-N 3.4Å |
| 516 | L | 90.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58 | -47.6 | 175.3 | 178.3 | 63 | 0 | 0 | 0 | 111.4 | L409 I455 Y501 L503 E512 M513 T518 Y519 L520 | L409-L516 HydrophobicContact CD2-CD1 4.36Å; I455-L516 HydrophobicContact CG2-CD1 4.31Å; Y501-L516 HydrophobicContact CD1-CB 4.05Å; Y501-L516 HydrophobicContact CD1-CD1 4.5Å; Y501-L516 HydrophobicContact CD2-CD1 3.66Å; Y501-L516 HydrophobicContact CE1-CB 4.26Å; Y501-L516 HydrophobicContact CE2-CD1 3.84Å; Y501-L516 HydrophobicContact CG-CB 4.27Å; Y501-L516 HydrophobicContact CG-CD1 4.01Å; L503-L516 HydrophobicContact CD2-CD2 3.84Å; E512-L516 WeakPolarHBondContact O-CB 3.47Å; E512-L516 PolarHBondContact O-N 3.18Å; M513-L516 PolarHBondContact O-N 2.8Å; M513-L516 HydrophobicContact SD-CD2 4.4Å; L516-T518 VanDerWaalsContact C-N 3.32Å; L516-T518 PolarHBondContact O-N 2.88Å; L516-Y519 PolarHBondContact O-N 2.96Å; L516-L520 HydrophobicContact CD1-CD1 4.24Å; L516-L520 HydrophobicContact CD1-CG 4.18Å; L516-L520 HydrophobicContact CG-CD1 4.06Å; L516-L520 HydrophobicContact CG-CG 4.41Å; L516-L520 WeakPolarHBondContact O-CB 3.43Å; L516-L520 VanDerWaalsContact O-CG 3.24Å; L516-L520 WeakPolarHBondContact O-CG 3.35Å; L516-L520 PolarHBondContact O-N 3.15Å |
| 517 | K | 89.2 | Confident | 88 | Confident | 53 Ų | 53 | 47.3 Ų | 47.3 | 23% | 0.23 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.4 | -41.3 | 176.6 | -77.2 | 173.8 | 178.1 | 173.6 | 0 | 112.1 | S319 L320 G508 M513 K514 Q515 T521 | S319-K517 PolarHBondContact O-NZ 2.86Å; L320-K517 HydrophobicContact CD2-CG 4.04Å; L320-K517 WeakPolarHBondContact O-CE 3.18Å; G508-K517 PolarHBondContact O-NZ 3.36Å; M513-K517 HydrophobicContact CG-CD 4.26Å; M513-K517 WeakPolarHBondContact O-CB 3.16Å; M513-K517 VanDerWaalsContact O-CG 3.29Å; M513-K517 WeakPolarHBondContact O-CG 3.09Å; M513-K517 PolarHBondContact O-N 3.29Å; K514-K517 PolarHBondContact O-N 3.32Å; Q515-K517 PolarHBondContact O-N 3.41Å; K517-T521 PolarHBondContact O-N 3Å; K517-T521 VanDerWaalsContact O-N 3.07Å; K517-T521 PolarHBondContact O-OG1 2.86Å |
| 518 | T | 90.5 | Very high | 88.3 | Confident | 81 Ų | 81 | 45.6 Ų | 45.6 | 50% | 0.497 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.1 | -50.6 | 178.3 | -52.7 | 0 | 0 | 0 | 0 | 110.3 | K514 Q515 L516 L520 T521 D522 | K514-T518 WeakPolarHBondContact O-CB 3.37Å; K514-T518 PolarHBondContact O-N 3.47Å; K514-T518 PolarHBondContact O-OG1 3.38Å; Q515-T518 WeakPolarHBondContact O-CB 3.47Å; Q515-T518 PolarHBondContact O-N 3.46Å; L516-T518 VanDerWaalsContact C-N 3.32Å; L516-T518 PolarHBondContact O-N 2.88Å; T518-L520 PolarHBondContact O-N 3.37Å; T518-T521 WeakPolarHBondContact O-CA 3.33Å; T518-T521 VanDerWaalsContact O-CB 3.31Å; T518-T521 WeakPolarHBondContact O-CB 3.45Å; T518-T521 PolarHBondContact O-N 3.06Å; T518-D522 PolarHBondContact O-N 3.45Å |
| 519 | Y | 91.8 | Very high | 88.7 | Confident | 59 Ų | 59 | 51.5 Ų | 51.5 | 23% | 0.231 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.2 | -45.5 | 177.8 | 178.3 | -103.6 | 0 | 0 | 0 | 112.7 | I455 H497 Y501 Q515 L516 T521 D522 V523 | I455-Y519 HydrophobicContact CD1-CD1 3.88Å; I455-Y519 HydrophobicContact CD1-CE1 3.54Å; I455-Y519 HydrophobicContact CG1-CE1 3.93Å; H497-Y519 AromaticContact CD2-CE1 3.83Å; H497-Y519 AromaticContact CD2-CE2 3.5Å; H497-Y519 VanDerWaalsContact CD2-CE2 3.5Å; H497-Y519 WeakPolarHBondContact CD2-CE2 3.23Å; H497-Y519 AromaticContact CD2-CZ 3.15Å; H497-Y519 PolarHBondContact CD2-OH 3.28Å; H497-Y519 AromaticContact CG-CZ 3.86Å; H497-Y519 AromaticContact NE2-CD2 3.75Å; H497-Y519 AromaticContact NE2-CE1 3.99Å; H497-Y519 AromaticContact NE2-CE2 3.23Å; H497-Y519 WeakPolarHBondContact NE2-CE2 3.44Å; H497-Y519 AromaticContact NE2-CZ 3.37Å; Y501-Y519 HydrophobicContact CE2-CD1 4.43Å; Y501-Y519 WeakPolarHBondContact OH-CB 3.35Å; Q515-Y519 PolarHBondContact O-N 3.4Å; L516-Y519 PolarHBondContact O-N 2.96Å; Y519-T521 PolarHBondContact O-N 3.26Å; Y519-D522 PolarHBondContact O-N 2.96Å; Y519-D522 VanDerWaalsContact O-N 3.16Å; Y519-V523 HydrophobicContact CD1-CG2 4.12Å; Y519-V523 HydrophobicContact CD2-CG2 4.18Å; Y519-V523 HydrophobicContact CE1-CG2 3.59Å; Y519-V523 HydrophobicContact CE2-CG2 3.64Å; Y519-V523 HydrophobicContact CG-CG2 4.38Å; Y519-V523 WeakPolarHBondContact O-CG2 3.39Å; Y519-V523 PolarHBondContact O-N 3.12Å; Y519-V523 WeakPolarHBondContact OH-CG2 3.26Å |
| 520 | L | 91.5 | Very high | 88.7 | Confident | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.3 | -32.6 | 175.8 | -71.8 | 176.3 | 0 | 0 | 0 | 112.1 | L303 L320 Y382 I407 I455 L516 T518 R524 | L303-L520 HydrophobicContact CD1-CD2 3.94Å; L303-L520 HydrophobicContact CD2-CD1 4.22Å; L320-L520 HydrophobicContact CD2-CD1 4.24Å; Y382-L520 PolarHBondContact OH-O 3.3Å; I407-L520 HydrophobicContact CD1-CD2 4.07Å; I407-L520 HydrophobicContact CG2-CD2 3.81Å; I455-L520 HydrophobicContact CD1-CD2 3.55Å; L516-L520 HydrophobicContact CD1-CD1 4.24Å; L516-L520 HydrophobicContact CD1-CG 4.18Å; L516-L520 HydrophobicContact CG-CD1 4.06Å; L516-L520 HydrophobicContact CG-CG 4.41Å; L516-L520 WeakPolarHBondContact O-CB 3.43Å; L516-L520 VanDerWaalsContact O-CG 3.24Å; L516-L520 WeakPolarHBondContact O-CG 3.35Å; L516-L520 PolarHBondContact O-N 3.15Å; T518-L520 PolarHBondContact O-N 3.37Å; L520-R524 WeakPolarHBondContact O-CB 3.21Å; L520-R524 PolarHBondContact O-N 3.5Å |
| 521 | T | 90.4 | Very high | 88.4 | Confident | 41 Ų | 41 | 51.9 Ų | 51.9 | 25% | 0.252 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -72.3 | -42.9 | 177.3 | -55.3 | 0 | 0 | 0 | 0 | 111.2 | Y382 K517 T518 Y519 R524 N525 | Y382-T521 PolarHBondContact OH-N 2.92Å; K517-T521 PolarHBondContact O-N 3Å; K517-T521 VanDerWaalsContact O-N 3.07Å; K517-T521 PolarHBondContact O-OG1 2.86Å; T518-T521 WeakPolarHBondContact O-CA 3.33Å; T518-T521 VanDerWaalsContact O-CB 3.31Å; T518-T521 WeakPolarHBondContact O-CB 3.45Å; T518-T521 PolarHBondContact O-N 3.06Å; Y519-T521 PolarHBondContact O-N 3.26Å; T521-R524 WeakPolarHBondContact O-CB 3.17Å; T521-R524 PolarHBondContact O-N 2.95Å; T521-N525 PolarHBondContact O-N 3.14Å; T521-N525 PolarHBondContact O-ND2 2.66Å |
| 522 | D | 91.3 | Very high | 87.9 | Confident | 89 Ų | 89 | 49.9 Ų | 49.9 | 48% | 0.476 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.1 | -48.1 | 178.2 | -65.8 | -26.6 | 0 | 0 | 0 | 111.4 | T518 Y519 R524 N525 I526 | T518-D522 PolarHBondContact O-N 3.45Å; Y519-D522 PolarHBondContact O-N 2.96Å; Y519-D522 VanDerWaalsContact O-N 3.16Å; D522-R524 VanDerWaalsContact C-N 3.3Å; D522-R524 PolarHBondContact O-N 3.45Å; D522-N525 PolarHBondContact O-N 3.3Å; D522-N525 VanDerWaalsContact O-N 3.15Å; D522-I526 WeakPolarHBondContact O-CG1 2.97Å; D522-I526 PolarHBondContact O-N 3.47Å; D522-I526 VanDerWaalsContact O-N 3.16Å |
| 523 | V | 89.6 | Confident | 87.5 | Confident | 6 Ų | 6 | 56.5 Ų | 56.5 | 4% | 0.036 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.6 | -41 | 176.5 | 178.4 | 0 | 0 | 0 | 0 | 110.9 | I407 Y519 N525 I526 I527 | I407-V523 HydrophobicContact CD1-CB 3.97Å; I407-V523 HydrophobicContact CD1-CG1 3.65Å; I407-V523 HydrophobicContact CG1-CG1 3.86Å; Y519-V523 HydrophobicContact CD1-CG2 4.12Å; Y519-V523 HydrophobicContact CD2-CG2 4.18Å; Y519-V523 HydrophobicContact CE1-CG2 3.59Å; Y519-V523 HydrophobicContact CE2-CG2 3.64Å; Y519-V523 HydrophobicContact CG-CG2 4.38Å; Y519-V523 WeakPolarHBondContact O-CG2 3.39Å; Y519-V523 PolarHBondContact O-N 3.12Å; Y519-V523 WeakPolarHBondContact OH-CG2 3.26Å; V523-N525 VanDerWaalsContact C-N 3.31Å; V523-N525 PolarHBondContact O-N 2.8Å; V523-I526 WeakPolarHBondContact O-CB 3.17Å; V523-I526 PolarHBondContact O-N 2.82Å; V523-I527 HydrophobicContact CG1-CD1 4.05Å; V523-I527 WeakPolarHBondContact O-CG1 3.2Å; V523-I527 PolarHBondContact O-N 2.78Å |
| 524 | R | 90 | Very high | 87.1 | Confident | 24 Ų | 24 | 56.9 Ų | 56.9 | 9% | 0.091 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -56.4 | -47.7 | 174.7 | 175.1 | -173.2 | 82.8 | -151.5 | 21.7 | 111 | I301 E381 Y382 L520 T521 D522 I526 I527 I528 | I301-R524 HydrophobicContact CD1-CB 3.74Å; I301-R524 HydrophobicContact CD1-CG 3.75Å; I301-R524 HydrophobicContact CG1-CB 4.4Å; I301-R524 HydrophobicContact CG1-CG 3.92Å; I301-R524 HydrophobicContact CG2-CG 4.45Å; E381-R524 IonicContact OE1-CZ 3.1Å; E381-R524 IonicContact OE1-NH1 3.4Å; E381-R524 PolarHBondContact OE1-NH1 2.96Å; E381-R524 VanDerWaalsContact OE1-NH1 3.08Å; E381-R524 IonicContact OE1-NH2 3.36Å; E381-R524 PolarHBondContact OE1-NH2 3.43Å; E381-R524 IonicContact OE2-CZ 3.08Å; E381-R524 IonicContact OE2-NH1 3.95Å; E381-R524 PolarHBondContact OE2-NH1 3.46Å; Y382-R524 HydrophobicContact CE1-CB 4.19Å; Y382-R524 HydrophobicContact CE1-CG 4.34Å; Y382-R524 PolarHBondContact OH-NH1 2.91Å; L520-R524 WeakPolarHBondContact O-CB 3.21Å; L520-R524 PolarHBondContact O-N 3.5Å; T521-R524 WeakPolarHBondContact O-CB 3.17Å; T521-R524 PolarHBondContact O-N 2.95Å; D522-R524 VanDerWaalsContact C-N 3.3Å; D522-R524 PolarHBondContact O-N 3.45Å; R524-I526 VanDerWaalsContact C-N 3.26Å; R524-I526 PolarHBondContact O-N 3.37Å; R524-I527 PolarHBondContact O-N 3.13Å; R524-I527 VanDerWaalsContact O-N 3.12Å; R524-I528 HydrophobicContact CG-CD1 3.63Å; R524-I528 HydrophobicContact CG-CG1 4.2Å; R524-I528 VanDerWaalsContact O-CG1 3.31Å; R524-I528 WeakPolarHBondContact O-CG1 3.07Å; R524-I528 PolarHBondContact O-N 2.76Å |
| 525 | N | 90.1 | Very high | 86.8 | Confident | 69 Ų | 69 | 52 Ų | 52 | 37% | 0.369 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.6 | -36 | -179 | -67.7 | -28.8 | 0 | 0 | 0 | 112 | T521 D522 V523 Q529 | T521-N525 PolarHBondContact O-N 3.14Å; T521-N525 PolarHBondContact O-ND2 2.66Å; D522-N525 PolarHBondContact O-N 3.3Å; D522-N525 VanDerWaalsContact O-N 3.15Å; V523-N525 VanDerWaalsContact C-N 3.31Å; V523-N525 PolarHBondContact O-N 2.8Å; N525-Q529 WeakPolarHBondContact O-CG 3.32Å; N525-Q529 PolarHBondContact O-N 3.45Å |
| 526 | I | 89.1 | Confident | 86.5 | Confident | 84 Ų | 84 | 51.5 Ų | 51.5 | 43% | 0.431 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.1 | -45.4 | 173.6 | -62.5 | 166.9 | 0 | 0 | 0 | 111 | D522 V523 R524 Q529 | D522-I526 WeakPolarHBondContact O-CG1 2.97Å; D522-I526 PolarHBondContact O-N 3.47Å; D522-I526 VanDerWaalsContact O-N 3.16Å; V523-I526 WeakPolarHBondContact O-CB 3.17Å; V523-I526 PolarHBondContact O-N 2.82Å; R524-I526 VanDerWaalsContact C-N 3.26Å; R524-I526 PolarHBondContact O-N 3.37Å; I526-Q529 WeakPolarHBondContact O-CB 3.43Å; I526-Q529 PolarHBondContact O-N 2.94Å; I526-Q529 VanDerWaalsContact O-N 3.12Å |
| 527 | I | 87.3 | Confident | 86.3 | Confident | 7 Ų | 7 | 51.6 Ų | 51.6 | 4% | 0.036 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.5 | -42.3 | 179.4 | -65.5 | 172.5 | 0 | 0 | 0 | 110.8 | I301 G405 I407 V523 R524 Q529 T530 L531 | I301-I527 HydrophobicContact CD1-CD1 3.93Å; I301-I527 HydrophobicContact CG2-CG2 3.96Å; G405-I527 WeakPolarHBondContact O-CG2 3.33Å; I407-I527 HydrophobicContact CD1-CD1 4.41Å; I407-I527 HydrophobicContact CG1-CD1 3.8Å; V523-I527 HydrophobicContact CG1-CD1 4.05Å; V523-I527 WeakPolarHBondContact O-CG1 3.2Å; V523-I527 PolarHBondContact O-N 2.78Å; R524-I527 PolarHBondContact O-N 3.13Å; R524-I527 VanDerWaalsContact O-N 3.12Å; I527-Q529 PolarHBondContact O-N 3.41Å; I527-Q529 VanDerWaalsContact O-N 3.11Å; I527-T530 PolarHBondContact O-N 3.43Å; I527-T530 PolarHBondContact O-OG1 2.73Å; I527-L531 PolarHBondContact O-N 2.88Å |
| 528 | I | 87.6 | Confident | 86.1 | Confident | 27 Ų | 27 | 49.2 Ų | 49.2 | 14% | 0.138 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.1 | -31.3 | 175.6 | -68 | 166 | 0 | 0 | 0 | 110.3 | R297 P299 I301 R524 T530 L531 | R297-I528 HydrophobicContact CB-CG2 3.97Å; R297-I528 WeakPolarHBondContact CD-O 3.29Å; P299-I528 WeakPolarHBondContact O-CD1 3.44Å; I301-I528 HydrophobicContact CG2-CG1 4.18Å; R524-I528 HydrophobicContact CG-CD1 3.63Å; R524-I528 HydrophobicContact CG-CG1 4.2Å; R524-I528 VanDerWaalsContact O-CG1 3.31Å; R524-I528 WeakPolarHBondContact O-CG1 3.07Å; R524-I528 PolarHBondContact O-N 2.76Å; I528-T530 VanDerWaalsContact C-N 3.25Å; I528-T530 PolarHBondContact O-N 3.38Å; I528-L531 PolarHBondContact O-N 3.42Å |
| 529 | Q | 86.7 | Confident | 85.8 | Confident | 133 Ų | 133 | 49.1 Ų | 49.1 | 62% | 0.621 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -69.1 | -19.5 | 178.1 | -72.1 | 177.6 | 14.4 | 0 | 0 | 114.7 | R297 N525 I526 I527 | R297-Q529 VanDerWaalsContact NH1-C 3.34Å; R297-Q529 PolarHBondContact NH1-O 3.35Å; R297-Q529 PolarHBondContact NH2-O 3.19Å; N525-Q529 WeakPolarHBondContact O-CG 3.32Å; N525-Q529 PolarHBondContact O-N 3.45Å; I526-Q529 WeakPolarHBondContact O-CB 3.43Å; I526-Q529 PolarHBondContact O-N 2.94Å; I526-Q529 VanDerWaalsContact O-N 3.12Å; I527-Q529 PolarHBondContact O-N 3.41Å; I527-Q529 VanDerWaalsContact O-N 3.11Å |
| 530 | T | 82.5 | Confident | 85.5 | Confident | 102 Ų | 102 | 49.2 Ų | 49.2 | 63% | 0.626 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -94.3 | -18.6 | 177.2 | 65.4 | 0 | 0 | 0 | 0 | 112.7 | I527 I528 | I527-T530 PolarHBondContact O-N 3.43Å; I527-T530 PolarHBondContact O-OG1 2.73Å; I528-T530 VanDerWaalsContact C-N 3.25Å; I528-T530 PolarHBondContact O-N 3.38Å |
| 531 | L | 78.4 | Confident | 85.4 | Confident | 14 Ų | 14 | 49 Ų | 49 | 7% | 0.073 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -67.6 | 150 | -178.9 | -69.2 | 176.6 | 0 | 0 | 0 | 113.3 | R297 I301 I527 I528 Y588 | R297-L531 WeakPolarHBondContact CD-O 3.39Å; R297-L531 PolarHBondContact NE-O 3.11Å; R297-L531 PolarHBondContact NH2-O 3.03Å; I301-L531 HydrophobicContact CG2-CD1 4.16Å; I527-L531 PolarHBondContact O-N 2.88Å; I528-L531 PolarHBondContact O-N 3.42Å; L531-Y588 HydrophobicContact CD2-CD1 3.96Å; L531-Y588 HydrophobicContact CD2-CD2 4.31Å; L531-Y588 HydrophobicContact CD2-CE1 4.43Å; L531-Y588 HydrophobicContact CD2-CG 3.9Å |
| 532 | P | 75.5 | Confident | 85 | Confident | 55 Ų | 55 | 48.7 Ų | 48.7 | 36% | 0.357 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 156 | 174.9 | 22.4 | -27.3 | 0 | 0 | 0 | 112 | H585 | P532-H585 VanDerWaalsContact CB-NE2 3.25Å; P532-H585 WeakPolarHBondContact CB-NE2 3.49Å; P532-H585 VanDerWaalsContact CG-NE2 3.32Å; P532-H585 WeakPolarHBondContact CG-NE2 3.44Å; P532-H585 PolarHBondContact O-NE2 3.26Å |
| 533 | R | 81.2 | Confident | 84.7 | Confident | 148 Ų | 148 | 49.6 Ų | 49.6 | 56% | 0.558 | 26% | 0.261 | S | S | * | . | P | Polyproline II helix | trans | -78.8 | 135.5 | -177.5 | -66.5 | -175.2 | -176.8 | 166 | 0.1 | 110.4 | G294 R297 H585 | G294-R533 WeakPolarHBondContact O-CD 3.31Å; R297-R533 HydrophobicContact CG-CG 4.37Å; R533-H585 PolarHBondContact O-NE2 3.5Å |
| 534 | T | 77.3 | Confident | 84.5 | Confident | 8 Ų | 8 | 52 Ų | 52 | 5% | 0.049 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -80 | 148.6 | 177 | 55 | 0 | 0 | 0 | 0 | 110.8 | G294 H296 M298 | G294-T534 CarbonylContact C-O 3.58Å; G294-T534 WeakPolarHBondContact CA-O 3.41Å; G294-T534 PolarHBondContact N-O 3.13Å; G294-T534 VanDerWaalsContact N-O 3.12Å; H296-T534 VanDerWaalsContact C-OG1 3.24Å; H296-T534 PolarHBondContact O-N 3.34Å; H296-T534 PolarHBondContact O-OG1 2.74Å; M298-T534 HydrophobicContact CB-CG2 4.17Å; M298-T534 HydrophobicContact CG-CG2 3.8Å |
| 535 | N | 82.1 | Confident | 84.3 | Confident | 19 Ų | 19 | 51.2 Ų | 51.2 | 10% | 0.102 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -103.9 | 171.5 | 167.8 | 58.4 | 9.3 | 0 | 0 | 0 | 110.7 | Q290 R292 L537 M538 | Q290-N535 WeakPolarHBondContact O-CB 3.4Å; R292-N535 WeakPolarHBondContact O-CB 3.24Å; N535-L537 PolarHBondContact O-N 2.77Å; N535-M538 WeakPolarHBondContact O-CB 3.42Å; N535-M538 PolarHBondContact O-N 3.12Å; N535-M538 VanDerWaalsContact OD1-CG 3.28Å; N535-M538 WeakPolarHBondContact OD1-CG 3.35Å; N535-M538 PolarHBondContact OD1-N 3.35Å; N535-M538 VanDerWaalsContact OD1-N 3.09Å |
| 536 | S | 84.3 | Confident | 84 | Confident | 59 Ų | 59 | 51.4 Ų | 51.4 | 41% | 0.413 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.1 | -29.7 | 179.7 | -53.6 | 0 | 0 | 0 | 0 | 112.1 | Q290 M538 I539 D540 | Q290-S536 PolarHBondContact O-N 3.31Å; S536-M538 VanDerWaalsContact C-N 3.28Å; S536-M538 PolarHBondContact O-N 3.03Å; S536-I539 WeakPolarHBondContact O-CB 3.43Å; S536-I539 PolarHBondContact O-N 2.69Å; S536-D540 PolarHBondContact O-N 3.34Å |
| 537 | L | 86.8 | Confident | 83.7 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.9 | -41 | 174.9 | -173 | 151.1 | 0 | 0 | 0 | 112.2 | Q290 L291 N535 I539 D540 L541 I570 N571 C574 L582 | Q290-L537 HydrophobicContact CB-CB 4.48Å; Q290-L537 PolarHBondContact O-N 3.18Å; L291-L537 HydrophobicContact CD2-CD1 3.34Å; L291-L537 HydrophobicContact CG-CD1 4.48Å; N535-L537 PolarHBondContact O-N 2.77Å; L537-I539 VanDerWaalsContact C-N 3.32Å; L537-I539 PolarHBondContact O-N 2.8Å; L537-D540 PolarHBondContact O-N 3.11Å; L537-L541 WeakPolarHBondContact O-CB 3.46Å; L537-L541 PolarHBondContact O-N 2.69Å; L537-I570 HydrophobicContact CG-CG2 4.2Å; L537-N571 HydrophobicContact CD1-CB 3.57Å; L537-N571 HydrophobicContact CG-CB 4.47Å; L537-C574 HydrophobicContact CD1-CB 4.17Å; L537-L582 HydrophobicContact CD2-CD1 3.05Å; L537-L582 HydrophobicContact CD2-CG 4.41Å |
| 538 | M | 84.5 | Confident | 83.4 | Confident | 4 Ų | 4 | 53.4 Ų | 53.4 | 2% | 0.02 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.9 | -37.7 | 174.8 | -80.1 | -66.8 | -56.1 | 0 | 0 | 113.1 | M298 N535 S536 S542 L582 H585 L586 | M298-M538 HydrophobicContact SD-CE 4.21Å; N535-M538 WeakPolarHBondContact O-CB 3.42Å; N535-M538 PolarHBondContact O-N 3.12Å; N535-M538 VanDerWaalsContact OD1-CG 3.28Å; N535-M538 WeakPolarHBondContact OD1-CG 3.35Å; N535-M538 PolarHBondContact OD1-N 3.35Å; N535-M538 VanDerWaalsContact OD1-N 3.09Å; S536-M538 VanDerWaalsContact C-N 3.28Å; S536-M538 PolarHBondContact O-N 3.03Å; M538-S542 WeakPolarHBondContact O-CB 3.27Å; M538-S542 PolarHBondContact O-N 3.28Å; M538-S542 PolarHBondContact O-OG 3.07Å; M538-L582 HydrophobicContact CG-CD1 4.24Å; M538-L582 VanDerWaalsContact SD-CA 3.57Å; M538-L582 HydrophobicContact SD-CB 3.83Å; M538-L582 HydrophobicContact SD-CD1 3.39Å; M538-L582 WeakPolarHBondContact SD-CD1 3.18Å; M538-L582 HydrophobicContact SD-CG 3.38Å; M538-L582 WeakPolarHBondContact SD-CG 3.38Å; M538-H585 HydrophobicContact CE-CB 3.42Å; M538-H585 VanDerWaalsContact CE-CB 3.42Å; M538-H585 HydrophobicContact SD-CB 3.88Å; M538-L586 HydrophobicContact CE-CD2 3.52Å; M538-L586 HydrophobicContact CE-CG 3.63Å; M538-L586 HydrophobicContact SD-CD2 4.42Å; M538-L586 HydrophobicContact SD-CG 4.13Å |
| 539 | I | 82.9 | Confident | 82.9 | Confident | 78 Ų | 78 | 53.8 Ų | 53.8 | 40% | 0.4 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67.9 | -48.5 | 179.6 | -59.9 | 173.7 | 0 | 0 | 0 | 109.4 | S536 L537 L541 S542 N543 | S536-I539 WeakPolarHBondContact O-CB 3.43Å; S536-I539 PolarHBondContact O-N 2.69Å; L537-I539 VanDerWaalsContact C-N 3.32Å; L537-I539 PolarHBondContact O-N 2.8Å; I539-L541 VanDerWaalsContact C-N 3.31Å; I539-L541 PolarHBondContact O-N 2.95Å; I539-S542 WeakPolarHBondContact CA-OG 3.13Å; I539-S542 PolarHBondContact O-N 2.93Å; I539-S542 PolarHBondContact O-OG 3.36Å; I539-N543 PolarHBondContact O-N 2.98Å; I539-N543 PolarHBondContact O-ND2 3.08Å |
| 540 | D | 86.4 | Confident | 82.1 | Confident | 61 Ų | 61 | 53.1 Ų | 53.1 | 33% | 0.326 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.8 | -40.2 | 179.2 | -67.1 | -23.4 | 0 | 0 | 0 | 111.6 | Q290 S536 L537 N543 K544 I570 | Q290-D540 PolarHBondContact NE2-OD2 3.49Å; S536-D540 PolarHBondContact O-N 3.34Å; L537-D540 PolarHBondContact O-N 3.11Å; D540-N543 PolarHBondContact O-N 3.19Å; D540-K544 PolarHBondContact O-N 3.47Å; D540-K544 VanDerWaalsContact O-N 3.1Å; D540-I570 HydrophobicContact CB-CG2 4.27Å |
| 541 | L | 88.5 | Confident | 81 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.3 | -42.2 | 176.5 | -170.3 | 142.2 | 0 | 0 | 0 | 112.4 | L537 I539 N543 K544 L545 W548 F562 V566 I570 L582 L586 | L537-L541 WeakPolarHBondContact O-CB 3.46Å; L537-L541 PolarHBondContact O-N 2.69Å; I539-L541 VanDerWaalsContact C-N 3.31Å; I539-L541 PolarHBondContact O-N 2.95Å; L541-N543 PolarHBondContact O-N 3.35Å; L541-K544 PolarHBondContact O-N 3.25Å; L541-K544 VanDerWaalsContact O-N 3.09Å; L541-L545 HydrophobicContact CD2-CD1 3.44Å; L541-L545 VanDerWaalsContact CD2-CD1 3.44Å; L541-L545 HydrophobicContact CD2-CG 3.9Å; L541-L545 WeakPolarHBondContact O-CB 3.21Å; L541-L545 PolarHBondContact O-N 3.3Å; L541-W548 HydrophobicContact CD1-CZ3 4.5Å; L541-F562 HydrophobicContact CD1-CZ 4.09Å; L541-V566 HydrophobicContact CD1-CG1 4.42Å; L541-V566 HydrophobicContact CD1-CG2 3.54Å; L541-I570 HydrophobicContact CB-CD1 3.61Å; L541-I570 HydrophobicContact CD1-CD1 3.51Å; L541-I570 HydrophobicContact CG-CD1 3.55Å; L541-L582 HydrophobicContact CB-CD1 4.24Å; L541-L582 HydrophobicContact CD1-CD1 3.7Å; L541-L582 HydrophobicContact CD1-CD2 3.81Å; L541-L582 HydrophobicContact CD1-CG 4.33Å; L541-L582 HydrophobicContact CD2-CD1 4.46Å; L541-L582 HydrophobicContact CG-CD1 4.35Å; L541-L586 HydrophobicContact CD2-CD1 3.43Å; L541-L586 VanDerWaalsContact CD2-CD1 3.43Å; L541-L586 HydrophobicContact CD2-CD2 3.82Å; L541-L586 HydrophobicContact CD2-CG 4.19Å |
| 542 | S | 83.1 | Confident | 80.2 | Confident | 34 Ų | 34 | 55.3 Ų | 55.3 | 24% | 0.238 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.6 | -26.9 | 177.9 | 50.2 | 0 | 0 | 0 | 0 | 112.9 | M538 I539 P546 | M538-S542 WeakPolarHBondContact O-CB 3.27Å; M538-S542 PolarHBondContact O-N 3.28Å; M538-S542 PolarHBondContact O-OG 3.07Å; I539-S542 WeakPolarHBondContact CA-OG 3.13Å; I539-S542 PolarHBondContact O-N 2.93Å; I539-S542 PolarHBondContact O-OG 3.36Å; S542-P546 VanDerWaalsContact O-CD 3.3Å; S542-P546 WeakPolarHBondContact O-CD 3.39Å |
| 543 | N | 84.3 | Confident | 79.7 | Confident | 109 Ų | 109 | 57 Ų | 57 | 58% | 0.583 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -73.9 | -33.7 | 170.4 | -68.1 | -26.9 | 0 | 0 | 0 | 113 | I539 D540 L541 P546 | I539-N543 PolarHBondContact O-N 2.98Å; I539-N543 PolarHBondContact O-ND2 3.08Å; D540-N543 PolarHBondContact O-N 3.19Å; L541-N543 PolarHBondContact O-N 3.35Å; N543-P546 WeakPolarHBondContact O-CD 3.41Å |
| 544 | K | 86.8 | Confident | 79.4 | Confident | 57 Ų | 57 | 50.7 Ų | 50.7 | 25% | 0.248 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -83.8 | -29.6 | 179.2 | -109.7 | -164.3 | 176.6 | 177.4 | 0 | 115.1 | D540 L541 P546 E547 W548 H569 I570 | D540-K544 PolarHBondContact O-N 3.47Å; D540-K544 VanDerWaalsContact O-N 3.1Å; L541-K544 PolarHBondContact O-N 3.25Å; L541-K544 VanDerWaalsContact O-N 3.09Å; K544-P546 VanDerWaalsContact C-CD 3.42Å; K544-P546 VanDerWaalsContact C-N 3.33Å; K544-E547 WeakPolarHBondContact O-CB 3.28Å; K544-E547 PolarHBondContact O-N 2.76Å; K544-W548 HydrophobicContact CB-CZ2 4.45Å; K544-W548 HydrophobicContact CD-CZ2 4.12Å; K544-W548 PolarHBondContact O-N 3.03Å; K544-H569 HydrophobicContact CD-CB 4.18Å; K544-H569 VanDerWaalsContact NZ-CB 3.35Å; K544-H569 PolarHBondContact NZ-O 2.92Å; K544-I570 HydrophobicContact CD-CG1 4.18Å |
| 545 | L | 85.3 | Confident | 79.5 | Confident | 7 Ų | 7 | 50.3 Ų | 50.3 | 4% | 0.037 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -49 | -44.2 | -179.2 | -112.1 | 165.9 | 0 | 0 | 0 | 114 | L541 E547 W548 T549 L586 N591 I592 L628 | L541-L545 HydrophobicContact CD2-CD1 3.44Å; L541-L545 VanDerWaalsContact CD2-CD1 3.44Å; L541-L545 HydrophobicContact CD2-CG 3.9Å; L541-L545 WeakPolarHBondContact O-CB 3.21Å; L541-L545 PolarHBondContact O-N 3.3Å; L545-E547 VanDerWaalsContact C-N 3.26Å; L545-E547 PolarHBondContact O-N 2.8Å; L545-W548 PolarHBondContact O-N 2.85Å; L545-W548 VanDerWaalsContact O-N 3.15Å; L545-T549 WeakPolarHBondContact O-CG2 3.45Å; L545-T549 PolarHBondContact O-N 2.97Å; L545-T549 PolarHBondContact O-OG1 3.46Å; L545-L586 HydrophobicContact CD1-CD1 4.24Å; L545-L586 HydrophobicContact CD1-CD2 3.79Å; L545-N591 HydrophobicContact CD1-CB 4.12Å; L545-I592 HydrophobicContact CD1-CG2 4.11Å; L545-I592 HydrophobicContact CD2-CG2 3.97Å; L545-L628 HydrophobicContact CD2-CD2 4.16Å |
| 546 | P | 82.4 | Confident | 79.6 | Confident | 72 Ų | 72 | 49.9 Ų | 49.9 | 47% | 0.468 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.2 | -35.7 | 175.9 | -25.5 | 35.2 | 0 | 0 | 0 | 113.4 | S542 N543 K544 W548 T549 V550 | S542-P546 VanDerWaalsContact O-CD 3.3Å; S542-P546 WeakPolarHBondContact O-CD 3.39Å; N543-P546 WeakPolarHBondContact O-CD 3.41Å; K544-P546 VanDerWaalsContact C-CD 3.42Å; K544-P546 VanDerWaalsContact C-N 3.33Å; P546-W548 VanDerWaalsContact C-N 3.35Å; P546-T549 WeakPolarHBondContact CA-OG1 3.42Å; P546-T549 PolarHBondContact O-N 3.49Å; P546-T549 PolarHBondContact O-OG1 2.86Å; P546-V550 WeakPolarHBondContact O-CG2 3.37Å; P546-V550 PolarHBondContact O-N 3.31Å |
| 547 | E | 84.6 | Confident | 79.7 | Confident | 113 Ų | 113 | 47.1 Ų | 47.1 | 53% | 0.528 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66.9 | -38.4 | 177.7 | -58.6 | -177.5 | 162.6 | 0 | 0 | 111.4 | K544 L545 N551 | K544-E547 WeakPolarHBondContact O-CB 3.28Å; K544-E547 PolarHBondContact O-N 2.76Å; L545-E547 VanDerWaalsContact C-N 3.26Å; L545-E547 PolarHBondContact O-N 2.8Å; E547-N551 PolarHBondContact O-N 3.35Å; E547-N551 PolarHBondContact O-ND2 2.93Å |
| 548 | W | 81.2 | Confident | 79.5 | Confident | 20 Ų | 20 | 49.7 Ų | 49.7 | 8% | 0.076 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69.9 | -38.5 | 178.4 | -60.1 | -12.7 | 0 | 0 | 0 | 112 | L541 K544 L545 P546 V550 N551 D552 F562 R565 V566 H569 I570 | L541-W548 HydrophobicContact CD1-CZ3 4.5Å; K544-W548 HydrophobicContact CB-CZ2 4.45Å; K544-W548 HydrophobicContact CD-CZ2 4.12Å; K544-W548 PolarHBondContact O-N 3.03Å; L545-W548 PolarHBondContact O-N 2.85Å; L545-W548 VanDerWaalsContact O-N 3.15Å; P546-W548 VanDerWaalsContact C-N 3.35Å; W548-V550 VanDerWaalsContact C-N 3.31Å; W548-V550 PolarHBondContact O-N 3Å; W548-N551 PolarHBondContact O-N 3.43Å; W548-D552 WeakPolarHBondContact O-CB 3.24Å; W548-D552 PolarHBondContact O-N 3.49Å; W548-F562 HydrophobicContact CZ3-CE2 4.09Å; W548-R565 HydrophobicContact CH2-CB 4.1Å; W548-R565 HydrophobicContact CZ2-CB 4.31Å; W548-R565 HydrophobicContact CZ3-CB 4.42Å; W548-V566 HydrophobicContact CH2-CG2 4.26Å; W548-V566 HydrophobicContact CZ3-CG2 4.46Å; W548-H569 HydrophobicContact CZ2-CB 3.9Å; W548-I570 HydrophobicContact CH2-CD1 3.56Å; W548-I570 HydrophobicContact CH2-CG1 4.36Å; W548-I570 HydrophobicContact CZ2-CD1 4.01Å; W548-I570 HydrophobicContact CZ2-CG1 4.42Å; W548-I570 HydrophobicContact CZ3-CD1 4.47Å |
| 549 | T | 75.4 | Confident | 79.4 | Confident | 35 Ų | 35 | 50 Ų | 50 | 22% | 0.215 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -70 | -24.2 | 179.5 | 55.4 | 0 | 0 | 0 | 0 | 114.3 | L545 P546 L628 N629 | L545-T549 WeakPolarHBondContact O-CG2 3.45Å; L545-T549 PolarHBondContact O-N 2.97Å; L545-T549 PolarHBondContact O-OG1 3.46Å; P546-T549 WeakPolarHBondContact CA-OG1 3.42Å; P546-T549 PolarHBondContact O-N 3.49Å; P546-T549 PolarHBondContact O-OG1 2.86Å; T549-L628 HydrophobicContact CG2-CB 4.07Å; T549-L628 WeakPolarHBondContact CG2-O 3.37Å; T549-N629 HydrophobicContact CG2-CB 4.07Å |
| 550 | V | 70.3 | Confident | 79.4 | Confident | 119 Ų | 119 | 49.3 Ų | 49.3 | 72% | 0.721 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -79.7 | -35 | 175.4 | 173.7 | 0 | 0 | 0 | 0 | 111.5 | P546 W548 | P546-V550 WeakPolarHBondContact O-CG2 3.37Å; P546-V550 PolarHBondContact O-N 3.31Å; W548-V550 VanDerWaalsContact C-N 3.31Å; W548-V550 PolarHBondContact O-N 3Å |
| 551 | N | 60.4 | Low | 79.4 | Confident | 125 Ų | 125 | 50 Ų | 50 | 67% | 0.668 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -84.1 | -30.4 | -175.7 | -68.9 | -22.5 | 0 | 0 | 0 | 113 | E547 W548 V553 | E547-N551 PolarHBondContact O-N 3.35Å; E547-N551 PolarHBondContact O-ND2 2.93Å; W548-N551 PolarHBondContact O-N 3.43Å; N551-V553 PolarHBondContact O-N 3.1Å |
| 552 | D | 60.6 | Low | 79.4 | Confident | 37 Ų | 37 | 50 Ų | 50 | 20% | 0.198 | 27% | 0.271 | C | S | . | . | trans | -80.8 | 105.4 | 176.8 | -71.6 | -38.7 | 0 | 0 | 0 | 110.8 | W548 F554 R565 L628 | W548-D552 WeakPolarHBondContact O-CB 3.24Å; W548-D552 PolarHBondContact O-N 3.49Å; D552-F554 PolarHBondContact O-N 3.09Å; D552-R565 IonicContact OD1-CZ 3.75Å; D552-R565 IonicContact OD1-NH1 2.69Å; D552-R565 IonicContact OD1-NH2 3.16Å; D552-R565 PolarHBondContact OD1-NH2 2.78Å; D552-R565 IonicContact OD2-CZ 2.8Å; D552-R565 IonicContact OD2-NH1 2.81Å; D552-R565 PolarHBondContact OD2-NH1 3.1Å; D552-R565 IonicContact OD2-NH2 3.49Å; D552-R565 PolarHBondContact OD2-NH2 2.74Å; D552-L628 WeakPolarHBondContact OD2-CD1 3.34Å | ||
| 553 | V | 65.7 | Low | 79.6 | Confident | 91 Ų | 91 | 49 Ų | 49 | 55% | 0.552 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -60.2 | -24.5 | 172.5 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | N551 Q632 R666 | N551-V553 PolarHBondContact O-N 3.1Å; V553-Q632 PolarHBondContact O-NE2 3.35Å; V553-R666 VanDerWaalsContact CB-CZ 3.46Å; V553-R666 VanDerWaalsContact CB-NH2 3.31Å |
| 554 | F | 75.2 | Confident | 79.8 | Confident | 15 Ų | 15 | 49 Ų | 49 | 7% | 0.066 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -120.2 | 122 | 175.5 | -165.9 | -114 | 0 | 0 | 0 | 111.3 | D552 I556 I637 V665 D669 I672 L673 | D552-F554 PolarHBondContact O-N 3.09Å; F554-I556 HydrophobicContact CD1-CB 4.01Å; F554-I556 HydrophobicContact CD1-CG1 4.25Å; F554-I556 HydrophobicContact CE1-CB 3.69Å; F554-I556 HydrophobicContact CE1-CD1 3.58Å; F554-I556 HydrophobicContact CE1-CG1 3.75Å; F554-I556 HydrophobicContact CE2-CD1 4.44Å; F554-I556 HydrophobicContact CZ-CB 4.48Å; F554-I556 HydrophobicContact CZ-CD1 3.52Å; F554-I556 HydrophobicContact CZ-CG1 4.06Å; F554-I556 PolarHBondContact O-N 2.89Å; F554-I637 HydrophobicContact CD2-CD1 4.2Å; F554-I637 HydrophobicContact CE2-CD1 3.61Å; F554-I637 HydrophobicContact CZ-CD1 4.35Å; F554-V665 HydrophobicContact CD2-CG1 3.94Å; F554-V665 HydrophobicContact CD2-CG2 4.48Å; F554-V665 HydrophobicContact CE2-CB 4.44Å; F554-V665 HydrophobicContact CE2-CG1 3.6Å; F554-V665 HydrophobicContact CE2-CG2 3.87Å; F554-V665 HydrophobicContact CZ-CG1 4.22Å; F554-D669 HydrophobicContact CB-CB 4.2Å; F554-D669 VanDerWaalsContact CB-CG 3.49Å; F554-D669 WeakPolarHBondContact CB-OD2 3.35Å; F554-D669 HydrophobicContact CD1-CB 3.78Å; F554-D669 HydrophobicContact CD2-CB 3.88Å; F554-D669 HydrophobicContact CE1-CB 4.04Å; F554-D669 HydrophobicContact CE2-CB 4.16Å; F554-D669 HydrophobicContact CG-CB 3.69Å; F554-D669 HydrophobicContact CZ-CB 4.23Å; F554-I672 HydrophobicContact CE1-CB 4.09Å; F554-I672 HydrophobicContact CE1-CG2 3.96Å; F554-L673 HydrophobicContact CZ-CB 3.99Å |
| 555 | P | 79.5 | Confident | 80 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | trans | -82.7 | 16.1 | -163.2 | 35.5 | -39.5 | 0 | 0 | 0 | 114.4 | I627 L628 N629 Q632 I637 | P555-I627 CarbonylContact O-C 3.52Å; P555-I627 VanDerWaalsContact O-CA 3.3Å; P555-I627 WeakPolarHBondContact O-CA 3.4Å; P555-L628 PolarHBondContact O-N 2.86Å; P555-N629 HydrophobicContact CB-CB 3.7Å; P555-Q632 HydrophobicContact CB-CB 4.26Å; P555-Q632 HydrophobicContact CB-CG 4.5Å; P555-Q632 HydrophobicContact CG-CB 4.06Å; P555-Q632 HydrophobicContact CG-CG 4Å; P555-I637 HydrophobicContact CG-CD1 4.11Å | ||
| 556 | I | 84.4 | Confident | 80.3 | Confident | 9 Ų | 9 | 48 Ų | 48 | 5% | 0.046 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 132.3 | -172.5 | -45.5 | 176.9 | 0 | 0 | 0 | 108.9 | F554 L625 I626 I627 L633 I672 L676 | F554-I556 HydrophobicContact CD1-CB 4.01Å; F554-I556 HydrophobicContact CD1-CG1 4.25Å; F554-I556 HydrophobicContact CE1-CB 3.69Å; F554-I556 HydrophobicContact CE1-CD1 3.58Å; F554-I556 HydrophobicContact CE1-CG1 3.75Å; F554-I556 HydrophobicContact CE2-CD1 4.44Å; F554-I556 HydrophobicContact CZ-CB 4.48Å; F554-I556 HydrophobicContact CZ-CD1 3.52Å; F554-I556 HydrophobicContact CZ-CG1 4.06Å; F554-I556 PolarHBondContact O-N 2.89Å; I556-L625 HydrophobicContact CG2-CB 4.28Å; I556-L625 HydrophobicContact CG2-CD2 4.27Å; I556-I626 WeakPolarHBondContact CA-O 3.35Å; I556-I627 HydrophobicContact CG1-CG1 4.31Å; I556-I627 HydrophobicContact CG2-CG1 4.5Å; I556-L633 HydrophobicContact CD1-CD1 4.17Å; I556-I672 HydrophobicContact CB-CG2 3.95Å; I556-I672 HydrophobicContact CD1-CG2 4.5Å; I556-I672 HydrophobicContact CG2-CG2 3.56Å; I556-L676 HydrophobicContact CD1-CD1 3.75Å |
| 557 | C | 84.4 | Confident | 80.6 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.014 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 159 | 173.4 | 62.2 | 0 | 0 | 0 | 0 | 110.5 | E561 I626 | C557-E561 HydrophobicContact CB-CB 4.42Å; C557-I626 PolarHBondContact N-O 3.04Å; C557-I626 PolarHBondContact O-N 3.34Å |
| 558 | N | 83.5 | Confident | 80.8 | Confident | 55 Ų | 55 | 46.4 Ų | 46.4 | 29% | 0.294 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 152.7 | 170.6 | -64.9 | -31.9 | 0 | 0 | 0 | 109.7 | D560 E561 F562 L625 | N558-D560 PolarHBondContact O-N 2.96Å; N558-E561 PolarHBondContact O-N 2.87Å; N558-E561 VanDerWaalsContact O-N 3.07Å; N558-F562 PolarHBondContact O-N 3.41Å; N558-L625 VanDerWaalsContact OD1-CD2 3.28Å; N558-L625 WeakPolarHBondContact OD1-CD2 3.36Å |
| 559 | L | 82.4 | Confident | 81.2 | Confident | 10 Ų | 10 | 49.4 Ų | 49.4 | 5% | 0.052 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.6 | -37 | 178.3 | -179.9 | 65.8 | 0 | 0 | 0 | 112.8 | F562 A563 I583 Y620 D624 I626 | L559-F562 PolarHBondContact O-N 3.49Å; L559-A563 WeakPolarHBondContact O-CB 3.48Å; L559-A563 PolarHBondContact O-N 3.05Å; L559-I583 HydrophobicContact CD1-CD1 3.44Å; L559-I583 VanDerWaalsContact CD1-CD1 3.44Å; L559-Y620 VanDerWaalsContact CD2-CB 3.48Å; L559-Y620 HydrophobicContact CD2-CD1 3.48Å; L559-Y620 VanDerWaalsContact CD2-CD1 3.48Å; L559-Y620 HydrophobicContact CD2-CG 3.6Å; L559-D624 HydrophobicContact CB-CB 4.43Å; L559-D624 HydrophobicContact CD2-CB 4.48Å; L559-D624 PolarHBondContact N-O 2.82Å; L559-I626 HydrophobicContact CD1-CD1 3.39Å; L559-I626 HydrophobicContact CD1-CG1 4.18Å |
| 560 | D | 82.8 | Confident | 81.8 | Confident | 64 Ų | 64 | 48.6 Ų | 48.6 | 34% | 0.342 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.9 | -44.3 | 176.3 | -79.7 | -2.8 | 0 | 0 | 0 | 111.8 | N558 A563 E564 K622 | N558-D560 PolarHBondContact O-N 2.96Å; D560-A563 PolarHBondContact O-N 2.84Å; D560-E564 WeakPolarHBondContact O-CG 3.38Å; D560-E564 PolarHBondContact O-N 3.4Å; D560-K622 WeakPolarHBondContact OD2-CD 3.13Å; D560-K622 VanDerWaalsContact OD2-CE 3.26Å; D560-K622 WeakPolarHBondContact OD2-CE 3.39Å; D560-K622 WeakPolarHBondContact OD2-CG 3.49Å |
| 561 | E | 86.2 | Confident | 82.8 | Confident | 74 Ų | 74 | 42.9 Ų | 42.9 | 35% | 0.346 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -66.1 | -41.3 | 178.4 | -168.9 | -170.7 | 164.6 | 0 | 0 | 110.8 | C557 N558 E564 R565 | C557-E561 HydrophobicContact CB-CB 4.42Å; N558-E561 PolarHBondContact O-N 2.87Å; N558-E561 VanDerWaalsContact O-N 3.07Å; E561-E564 PolarHBondContact O-N 3.34Å; E561-R565 VanDerWaalsContact O-CG 3.31Å; E561-R565 WeakPolarHBondContact O-CG 3.34Å; E561-R565 PolarHBondContact O-N 3.35Å; E561-R565 IonicContact OE1-CZ 3.43Å; E561-R565 IonicContact OE1-NE 3.08Å; E561-R565 PolarHBondContact OE1-NE 3.28Å; E561-R565 IonicContact OE1-NH2 3.85Å; E561-R565 PolarHBondContact OE1-NH2 2.94Å |
| 562 | F | 88.7 | Confident | 84.2 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.1 | -46.8 | 173.4 | -179.7 | -102.5 | 0 | 0 | 0 | 111.5 | L541 W548 N558 L559 E564 R565 V566 L582 I583 L586 I626 L628 | L541-F562 HydrophobicContact CD1-CZ 4.09Å; W548-F562 HydrophobicContact CZ3-CE2 4.09Å; N558-F562 PolarHBondContact O-N 3.41Å; L559-F562 PolarHBondContact O-N 3.49Å; F562-E564 VanDerWaalsContact C-N 3.35Å; F562-E564 PolarHBondContact O-N 3.15Å; F562-R565 PolarHBondContact O-N 3.31Å; F562-V566 HydrophobicContact CD1-CG2 4.2Å; F562-V566 HydrophobicContact CE1-CG2 3.83Å; F562-V566 HydrophobicContact CE2-CG2 4.33Å; F562-V566 HydrophobicContact CZ-CG2 3.91Å; F562-V566 WeakPolarHBondContact O-CG2 3.41Å; F562-V566 PolarHBondContact O-N 3.36Å; F562-L582 HydrophobicContact CE1-CD2 3.72Å; F562-L582 HydrophobicContact CZ-CD2 3.79Å; F562-I583 HydrophobicContact CE1-CD1 4.43Å; F562-I583 HydrophobicContact CE1-CG1 4.07Å; F562-L586 HydrophobicContact CZ-CD1 4.34Å; F562-I626 HydrophobicContact CB-CD1 3.74Å; F562-I626 HydrophobicContact CD1-CD1 3.35Å; F562-I626 HydrophobicContact CD2-CD1 4.23Å; F562-I626 HydrophobicContact CD2-CG2 4.22Å; F562-I626 HydrophobicContact CE1-CD1 3.96Å; F562-I626 HydrophobicContact CG-CD1 3.5Å; F562-I626 VanDerWaalsContact CG-CD1 3.5Å; F562-I626 HydrophobicContact CG-CG2 4.45Å; F562-L628 HydrophobicContact CD2-CD2 3.83Å; F562-L628 HydrophobicContact CE2-CD2 3.91Å |
| 563 | A | 88.5 | Confident | 85.6 | Confident | 13 Ų | 13 | 35.7 Ų | 35.7 | 11% | 0.107 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.8 | -45.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L559 D560 R565 V566 H567 L579 | L559-A563 WeakPolarHBondContact O-CB 3.48Å; L559-A563 PolarHBondContact O-N 3.05Å; D560-A563 PolarHBondContact O-N 2.84Å; A563-R565 PolarHBondContact O-N 3.31Å; A563-V566 PolarHBondContact O-N 3.4Å; A563-H567 WeakPolarHBondContact O-CB 3.48Å; A563-H567 PolarHBondContact O-N 3.3Å; A563-H567 PolarHBondContact O-ND1 3.18Å; A563-L579 HydrophobicContact CB-CD1 3.54Å |
| 564 | E | 88 | Confident | 86.7 | Confident | 111 Ų | 111 | 31.3 Ų | 31.3 | 52% | 0.519 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -60.5 | -43.7 | 176 | -75 | -169.3 | 158.3 | 0 | 0 | 111.7 | K271 D560 E561 F562 V566 H567 E568 | K271-E564 IonicContact NZ-OE1 3.12Å; D560-E564 WeakPolarHBondContact O-CG 3.38Å; D560-E564 PolarHBondContact O-N 3.4Å; E561-E564 PolarHBondContact O-N 3.34Å; F562-E564 VanDerWaalsContact C-N 3.35Å; F562-E564 PolarHBondContact O-N 3.15Å; E564-V566 PolarHBondContact O-N 2.87Å; E564-H567 PolarHBondContact O-N 2.87Å; E564-E568 VanDerWaalsContact O-CB 3.31Å; E564-E568 WeakPolarHBondContact O-CB 3.35Å; E564-E568 PolarHBondContact O-N 3.41Å |
| 565 | R | 89.8 | Confident | 87.1 | Confident | 43 Ų | 43 | 31.6 Ų | 31.6 | 16% | 0.162 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61 | -45.4 | 175.1 | -71.1 | 173.6 | -175 | -156.6 | 2.2 | 111.7 | W548 D552 E561 F562 A563 H567 E568 H569 | W548-R565 HydrophobicContact CH2-CB 4.1Å; W548-R565 HydrophobicContact CZ2-CB 4.31Å; W548-R565 HydrophobicContact CZ3-CB 4.42Å; D552-R565 IonicContact OD1-CZ 3.75Å; D552-R565 IonicContact OD1-NH1 2.69Å; D552-R565 IonicContact OD1-NH2 3.16Å; D552-R565 PolarHBondContact OD1-NH2 2.78Å; D552-R565 IonicContact OD2-CZ 2.8Å; D552-R565 IonicContact OD2-NH1 2.81Å; D552-R565 PolarHBondContact OD2-NH1 3.1Å; D552-R565 IonicContact OD2-NH2 3.49Å; D552-R565 PolarHBondContact OD2-NH2 2.74Å; E561-R565 VanDerWaalsContact O-CG 3.31Å; E561-R565 WeakPolarHBondContact O-CG 3.34Å; E561-R565 PolarHBondContact O-N 3.35Å; E561-R565 IonicContact OE1-CZ 3.43Å; E561-R565 IonicContact OE1-NE 3.08Å; E561-R565 PolarHBondContact OE1-NE 3.28Å; E561-R565 IonicContact OE1-NH2 3.85Å; E561-R565 PolarHBondContact OE1-NH2 2.94Å; F562-R565 PolarHBondContact O-N 3.31Å; A563-R565 PolarHBondContact O-N 3.31Å; R565-H567 VanDerWaalsContact C-N 3.32Å; R565-H567 PolarHBondContact O-N 3.28Å; R565-E568 PolarHBondContact O-N 2.99Å; R565-H569 VanDerWaalsContact O-CB 3.22Å; R565-H569 WeakPolarHBondContact O-CB 3.37Å; R565-H569 PolarHBondContact O-N 3.44Å; R565-H569 PolarHBondContact O-ND1 2.87Å |
| 566 | V | 91.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.1 | -44 | 176 | 174.6 | 0 | 0 | 0 | 0 | 110.9 | L541 W548 F562 A563 E564 I570 N571 C574 L579 | L541-V566 HydrophobicContact CD1-CG1 4.42Å; L541-V566 HydrophobicContact CD1-CG2 3.54Å; W548-V566 HydrophobicContact CH2-CG2 4.26Å; W548-V566 HydrophobicContact CZ3-CG2 4.46Å; F562-V566 HydrophobicContact CD1-CG2 4.2Å; F562-V566 HydrophobicContact CE1-CG2 3.83Å; F562-V566 HydrophobicContact CE2-CG2 4.33Å; F562-V566 HydrophobicContact CZ-CG2 3.91Å; F562-V566 WeakPolarHBondContact O-CG2 3.41Å; F562-V566 PolarHBondContact O-N 3.36Å; A563-V566 PolarHBondContact O-N 3.4Å; E564-V566 PolarHBondContact O-N 2.87Å; V566-I570 HydrophobicContact CG1-CB 4.48Å; V566-I570 WeakPolarHBondContact O-CA 3.37Å; V566-I570 WeakPolarHBondContact O-CB 3.49Å; V566-I570 PolarHBondContact O-N 3.08Å; V566-N571 PolarHBondContact O-N 2.94Å; V566-C574 HydrophobicContact CG1-CB 4.42Å; V566-L579 HydrophobicContact CB-CD2 3.98Å; V566-L579 HydrophobicContact CG1-CD2 3.83Å; V566-L579 HydrophobicContact CG2-CD2 4.11Å |
| 567 | H | 90.5 | Very high | 87 | Confident | 19 Ų | 19 | 36 Ų | 36 | 9% | 0.088 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.5 | -38.2 | 179.4 | -69.4 | 159.7 | 0 | 0 | 0 | 113.5 | R241 A563 E564 R565 P572 C574 | R241-H567 PolarHBondContact NH1-CE1 2.81Å; R241-H567 PolarHBondContact NH1-ND1 3.42Å; R241-H567 PolarHBondContact NH2-ND1 2.95Å; A563-H567 WeakPolarHBondContact O-CB 3.48Å; A563-H567 PolarHBondContact O-N 3.3Å; A563-H567 PolarHBondContact O-ND1 3.18Å; E564-H567 PolarHBondContact O-N 2.87Å; R565-H567 VanDerWaalsContact C-N 3.32Å; R565-H567 PolarHBondContact O-N 3.28Å; H567-P572 VanDerWaalsContact O-CA 3.29Å; H567-P572 WeakPolarHBondContact O-CA 3.44Å; H567-P572 WeakPolarHBondContact O-CB 3.19Å; H567-C574 PolarHBondContact NE2-O 3.11Å |
| 568 | E | 88.3 | Confident | 87.1 | Confident | 132 Ų | 132 | 37.9 Ų | 37.9 | 62% | 0.617 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -76.8 | -42.1 | -178.1 | -177.1 | 174.1 | -156.4 | 0 | 0 | 112.2 | E564 R565 | E564-E568 VanDerWaalsContact O-CB 3.31Å; E564-E568 WeakPolarHBondContact O-CB 3.35Å; E564-E568 PolarHBondContact O-N 3.41Å; R565-E568 PolarHBondContact O-N 2.99Å |
| 569 | H | 88.5 | Confident | 87.2 | Confident | 82 Ų | 82 | 35.7 Ų | 35.7 | 38% | 0.38 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -104.9 | -16.6 | -164.9 | -70.1 | 91.6 | 0 | 0 | 0 | 114.9 | K544 W548 R565 | K544-H569 HydrophobicContact CD-CB 4.18Å; K544-H569 VanDerWaalsContact NZ-CB 3.35Å; K544-H569 PolarHBondContact NZ-O 2.92Å; W548-H569 HydrophobicContact CZ2-CB 3.9Å; R565-H569 VanDerWaalsContact O-CB 3.22Å; R565-H569 WeakPolarHBondContact O-CB 3.37Å; R565-H569 PolarHBondContact O-N 3.44Å; R565-H569 PolarHBondContact O-ND1 2.87Å |
| 570 | I | 89.3 | Confident | 87.3 | Confident | 18 Ų | 18 | 36.1 Ų | 36.1 | 9% | 0.092 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.8 | -69.5 | -172.7 | -58.7 | 169.4 | 0 | 0 | 0 | 110.2 | L537 D540 L541 K544 W548 V566 | L537-I570 HydrophobicContact CG-CG2 4.2Å; D540-I570 HydrophobicContact CB-CG2 4.27Å; L541-I570 HydrophobicContact CB-CD1 3.61Å; L541-I570 HydrophobicContact CD1-CD1 3.51Å; L541-I570 HydrophobicContact CG-CD1 3.55Å; K544-I570 HydrophobicContact CD-CG1 4.18Å; W548-I570 HydrophobicContact CH2-CD1 3.56Å; W548-I570 HydrophobicContact CH2-CG1 4.36Å; W548-I570 HydrophobicContact CZ2-CD1 4.01Å; W548-I570 HydrophobicContact CZ2-CG1 4.42Å; W548-I570 HydrophobicContact CZ3-CD1 4.47Å; V566-I570 HydrophobicContact CG1-CB 4.48Å; V566-I570 WeakPolarHBondContact O-CA 3.37Å; V566-I570 WeakPolarHBondContact O-CB 3.49Å; V566-I570 PolarHBondContact O-N 3.08Å |
| 571 | N | 90.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -146.5 | 109.1 | -175 | -169.6 | -43.4 | 0 | 0 | 0 | 111.9 | W287 Q290 L537 V566 L573 C574 | W287-N571 PolarHBondContact O-ND2 3.23Å; Q290-N571 PolarHBondContact OE1-ND2 3.23Å; L537-N571 HydrophobicContact CD1-CB 3.57Å; L537-N571 HydrophobicContact CG-CB 4.47Å; V566-N571 PolarHBondContact O-N 2.94Å; N571-L573 PolarHBondContact O-N 3.32Å; N571-L573 WeakPolarHBondContact OD1-CA 3.29Å; N571-L573 WeakPolarHBondContact OD1-CB 3.2Å; N571-L573 PolarHBondContact OD1-N 3.32Å; N571-C574 WeakPolarHBondContact O-CB 3.31Å; N571-C574 PolarHBondContact O-N 2.87Å; N571-C574 PolarHBondContact OD1-N 2.93Å | ||
| 572 | P | 90.3 | Very high | 87.4 | Confident | 10 Ų | 10 | 32.4 Ų | 32.4 | 7% | 0.065 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -10.8 | -178.6 | 26.7 | -32.2 | 0 | 0 | 0 | 114.5 | R241 L275 M279 W287 H567 | R241-P572 PolarHBondContact NE-O 3.13Å; R241-P572 PolarHBondContact NH2-O 3.23Å; L275-P572 HydrophobicContact CD1-CB 3.75Å; M279-P572 HydrophobicContact CE-CB 3.78Å; M279-P572 HydrophobicContact CE-CG 3.62Å; W287-P572 HydrophobicContact CD2-CG 3.93Å; W287-P572 HydrophobicContact CE3-CG 3.87Å; W287-P572 HydrophobicContact CH2-CG 3.63Å; W287-P572 HydrophobicContact CZ2-CG 3.66Å; W287-P572 HydrophobicContact CZ3-CG 3.74Å; H567-P572 VanDerWaalsContact O-CA 3.29Å; H567-P572 WeakPolarHBondContact O-CA 3.44Å; H567-P572 WeakPolarHBondContact O-CB 3.19Å |
| 573 | L | 89.7 | Confident | 87.3 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -2.2 | 177.1 | -64.3 | 178.3 | 0 | 0 | 0 | 113.4 | I244 M279 W287 I288 L291 N571 T575 | I244-L573 HydrophobicContact CB-CD2 3.9Å; I244-L573 HydrophobicContact CD1-CD2 4.33Å; I244-L573 HydrophobicContact CG2-CD1 3.96Å; I244-L573 HydrophobicContact CG2-CD2 3.7Å; M279-L573 HydrophobicContact CE-CD2 3.36Å; M279-L573 HydrophobicContact CE-CG 3.69Å; M279-L573 HydrophobicContact SD-CD1 4.13Å; M279-L573 HydrophobicContact SD-CD2 3.69Å; M279-L573 HydrophobicContact SD-CG 3.91Å; W287-L573 HydrophobicContact CB-CD1 4Å; W287-L573 HydrophobicContact CE3-CD1 4.45Å; I288-L573 HydrophobicContact CG1-CD1 3.98Å; L291-L573 HydrophobicContact CD1-CB 4.1Å; N571-L573 PolarHBondContact O-N 3.32Å; N571-L573 WeakPolarHBondContact OD1-CA 3.29Å; N571-L573 WeakPolarHBondContact OD1-CB 3.2Å; N571-L573 PolarHBondContact OD1-N 3.32Å; L573-T575 PolarHBondContact O-N 3.47Å |
| 574 | C | 88.5 | Confident | 87.1 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -56.2 | 122.9 | 177.4 | -165.6 | 0 | 0 | 0 | 0 | 110.1 | L537 V566 H567 N571 H578 | L537-C574 HydrophobicContact CD1-CB 4.17Å; V566-C574 HydrophobicContact CG1-CB 4.42Å; H567-C574 PolarHBondContact NE2-O 3.11Å; N571-C574 WeakPolarHBondContact O-CB 3.31Å; N571-C574 PolarHBondContact O-N 2.87Å; N571-C574 PolarHBondContact OD1-N 2.93Å; C574-H578 WeakPolarHBondContact SG-CB 3.27Å | ||
| 575 | T | 84.3 | Confident | 86.9 | Confident | 21 Ų | 21 | 32.4 Ų | 32.4 | 13% | 0.129 | 16% | 0.159 | C | C | . | . | trans | -88.9 | 168.3 | 177 | 58.5 | 0 | 0 | 0 | 0 | 109.8 | Y242 L245 L573 E577 H578 L579 | Y242-T575 HydrophobicContact CD2-CG2 4.23Å; L245-T575 HydrophobicContact CD2-CG2 3.63Å; L573-T575 PolarHBondContact O-N 3.47Å; T575-E577 VanDerWaalsContact C-N 3.28Å; T575-E577 PolarHBondContact O-N 2.84Å; T575-H578 PolarHBondContact N-ND1 3.36Å; T575-H578 WeakPolarHBondContact O-CB 3.5Å; T575-H578 PolarHBondContact O-N 3.44Å; T575-H578 PolarHBondContact OG1-N 3.07Å; T575-H578 PolarHBondContact OG1-ND1 2.98Å; T575-L579 PolarHBondContact O-N 2.98Å | ||
| 576 | D | 81.5 | Confident | 86.8 | Confident | 31 Ų | 31 | 30.3 Ų | 30.3 | 17% | 0.166 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -56.3 | -43.9 | 178.4 | -61.5 | -9.3 | 0 | 0 | 0 | 110.8 | R238 H578 L579 V580 | R238-D576 IonicContact CZ-OD2 3.14Å; R238-D576 VanDerWaalsContact CZ-OD2 3.29Å; R238-D576 IonicContact NE-OD2 2.89Å; R238-D576 PolarHBondContact NE-OD2 2.8Å; R238-D576 VanDerWaalsContact NE-OD2 3.1Å; R238-D576 IonicContact NH2-OD2 2.75Å; R238-D576 PolarHBondContact NH2-OD2 3.31Å; D576-H578 PolarHBondContact O-N 3.48Å; D576-L579 CarbonylContact O-C 3.58Å; D576-L579 WeakPolarHBondContact O-CA 3.17Å; D576-L579 WeakPolarHBondContact O-CB 3.3Å; D576-L579 PolarHBondContact O-N 3.31Å; D576-V580 WeakPolarHBondContact O-CG2 3.48Å; D576-V580 PolarHBondContact O-N 3.28Å |
| 577 | E | 80.7 | Confident | 86.6 | Confident | 72 Ų | 72 | 32.8 Ų | 32.8 | 34% | 0.336 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -58.3 | -39.4 | 174.2 | -66.5 | 179.5 | 174.3 | 0 | 0 | 114.7 | K208 T575 L579 V580 T581 | K208-E577 IonicContact NZ-OE1 3.02Å; K208-E577 PolarHBondContact NZ-OE1 3.33Å; K208-E577 IonicContact NZ-OE2 3.17Å; K208-E577 PolarHBondContact NZ-OE2 3.15Å; T575-E577 VanDerWaalsContact C-N 3.28Å; T575-E577 PolarHBondContact O-N 2.84Å; E577-L579 VanDerWaalsContact C-N 3.32Å; E577-V580 WeakPolarHBondContact O-CB 3.3Å; E577-V580 PolarHBondContact O-N 3.36Å; E577-T581 PolarHBondContact O-N 3.48Å; E577-T581 VanDerWaalsContact O-N 3.09Å; E577-T581 PolarHBondContact O-OG1 3.25Å; E577-T581 VanDerWaalsContact O-OG1 3.05Å |
| 578 | H | 85.3 | Confident | 86.3 | Confident | 41 Ų | 41 | 35.2 Ų | 35.2 | 19% | 0.19 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.6 | -38 | 174.6 | -64.2 | 147.6 | 0 | 0 | 0 | 110.7 | L291 C574 T575 D576 T581 L582 | L291-H578 HydrophobicContact CD2-CB 4.25Å; C574-H578 WeakPolarHBondContact SG-CB 3.27Å; T575-H578 PolarHBondContact N-ND1 3.36Å; T575-H578 WeakPolarHBondContact O-CB 3.5Å; T575-H578 PolarHBondContact O-N 3.44Å; T575-H578 PolarHBondContact OG1-N 3.07Å; T575-H578 PolarHBondContact OG1-ND1 2.98Å; D576-H578 PolarHBondContact O-N 3.48Å; H578-T581 PolarHBondContact O-OG1 2.94Å; H578-L582 WeakPolarHBondContact O-CB 3.4Å; H578-L582 PolarHBondContact O-N 3.39Å |
| 579 | L | 86.7 | Confident | 86.1 | Confident | 8 Ų | 8 | 29 Ų | 29 | 4% | 0.042 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.4 | -38.6 | 173.3 | -67.1 | 167.7 | 0 | 0 | 0 | 111.9 | A563 V566 T575 D576 E577 L582 I583 | A563-L579 HydrophobicContact CB-CD1 3.54Å; V566-L579 HydrophobicContact CB-CD2 3.98Å; V566-L579 HydrophobicContact CG1-CD2 3.83Å; V566-L579 HydrophobicContact CG2-CD2 4.11Å; T575-L579 PolarHBondContact O-N 2.98Å; D576-L579 CarbonylContact O-C 3.58Å; D576-L579 WeakPolarHBondContact O-CA 3.17Å; D576-L579 WeakPolarHBondContact O-CB 3.3Å; D576-L579 PolarHBondContact O-N 3.31Å; E577-L579 VanDerWaalsContact C-N 3.32Å; L579-L582 WeakPolarHBondContact O-CB 3.43Å; L579-L582 PolarHBondContact O-N 3.33Å; L579-I583 WeakPolarHBondContact O-CB 3.41Å; L579-I583 WeakPolarHBondContact O-CD1 3.28Å; L579-I583 WeakPolarHBondContact O-CG1 3.27Å; L579-I583 PolarHBondContact O-N 3.5Å |
| 580 | V | 83 | Confident | 85.8 | Confident | 20 Ų | 20 | 25.1 Ų | 25.1 | 12% | 0.121 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.5 | -58.1 | 176.1 | -176.4 | 0 | 0 | 0 | 0 | 111.3 | D576 E577 L582 I583 E584 Y620 | D576-V580 WeakPolarHBondContact O-CG2 3.48Å; D576-V580 PolarHBondContact O-N 3.28Å; E577-V580 WeakPolarHBondContact O-CB 3.3Å; E577-V580 PolarHBondContact O-N 3.36Å; V580-L582 PolarHBondContact O-N 2.86Å; V580-I583 PolarHBondContact O-N 3.19Å; V580-E584 HydrophobicContact CG1-CG 4.36Å; V580-E584 WeakPolarHBondContact O-CG 3.39Å; V580-E584 PolarHBondContact O-N 2.86Å; V580-Y620 HydrophobicContact CB-CE2 4.27Å; V580-Y620 WeakPolarHBondContact CB-OH 3.34Å; V580-Y620 WeakPolarHBondContact CG1-OH 3.33Å; V580-Y620 HydrophobicContact CG2-CD2 4.14Å; V580-Y620 HydrophobicContact CG2-CE1 4.13Å; V580-Y620 HydrophobicContact CG2-CE2 3Å; V580-Y620 WeakPolarHBondContact CG2-OH 3.32Å |
| 581 | T | 83.5 | Confident | 85.4 | Confident | 56 Ų | 56 | 25 Ų | 25 | 34% | 0.344 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -60.4 | -39.4 | -177 | 50.4 | 0 | 0 | 0 | 0 | 108.8 | E577 H578 E584 H585 | E577-T581 PolarHBondContact O-N 3.48Å; E577-T581 VanDerWaalsContact O-N 3.09Å; E577-T581 PolarHBondContact O-OG1 3.25Å; E577-T581 VanDerWaalsContact O-OG1 3.05Å; H578-T581 PolarHBondContact O-OG1 2.94Å; T581-E584 PolarHBondContact O-N 3.03Å; T581-H585 PolarHBondContact O-N 3.43Å; T581-H585 PolarHBondContact O-ND1 3.4Å |
| 582 | L | 87.5 | Confident | 85.3 | Confident | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.016 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59 | -50.9 | 172.6 | 176 | 126.7 | 0 | 0 | 0 | 113 | L537 M538 L541 F562 H578 L579 V580 E584 H585 L586 | L537-L582 HydrophobicContact CD2-CD1 3.05Å; L537-L582 HydrophobicContact CD2-CG 4.41Å; M538-L582 HydrophobicContact CG-CD1 4.24Å; M538-L582 VanDerWaalsContact SD-CA 3.57Å; M538-L582 HydrophobicContact SD-CB 3.83Å; M538-L582 HydrophobicContact SD-CD1 3.39Å; M538-L582 WeakPolarHBondContact SD-CD1 3.18Å; M538-L582 HydrophobicContact SD-CG 3.38Å; M538-L582 WeakPolarHBondContact SD-CG 3.38Å; L541-L582 HydrophobicContact CB-CD1 4.24Å; L541-L582 HydrophobicContact CD1-CD1 3.7Å; L541-L582 HydrophobicContact CD1-CD2 3.81Å; L541-L582 HydrophobicContact CD1-CG 4.33Å; L541-L582 HydrophobicContact CD2-CD1 4.46Å; L541-L582 HydrophobicContact CG-CD1 4.35Å; F562-L582 HydrophobicContact CE1-CD2 3.72Å; F562-L582 HydrophobicContact CZ-CD2 3.79Å; H578-L582 WeakPolarHBondContact O-CB 3.4Å; H578-L582 PolarHBondContact O-N 3.39Å; L579-L582 WeakPolarHBondContact O-CB 3.43Å; L579-L582 PolarHBondContact O-N 3.33Å; V580-L582 PolarHBondContact O-N 2.86Å; L582-E584 VanDerWaalsContact C-N 3.31Å; L582-E584 PolarHBondContact O-N 3.38Å; L582-H585 PolarHBondContact O-N 2.91Å; L582-L586 HydrophobicContact CD2-CD1 3.57Å; L582-L586 HydrophobicContact CG-CD1 3.89Å; L582-L586 HydrophobicContact CG-CG 4.39Å; L582-L586 VanDerWaalsContact O-CG 3.31Å; L582-L586 WeakPolarHBondContact O-CG 3.43Å; L582-L586 PolarHBondContact O-N 2.88Å |
| 583 | I | 87.1 | Confident | 85.1 | Confident | 8 Ų | 8 | 25 Ų | 25 | 4% | 0.041 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.1 | -43.9 | 179.8 | -71.8 | 159.9 | 0 | 0 | 0 | 110.3 | L559 F562 L579 V580 L586 Q587 I592 Y594 I626 | L559-I583 HydrophobicContact CD1-CD1 3.44Å; L559-I583 VanDerWaalsContact CD1-CD1 3.44Å; F562-I583 HydrophobicContact CE1-CD1 4.43Å; F562-I583 HydrophobicContact CE1-CG1 4.07Å; L579-I583 WeakPolarHBondContact O-CB 3.41Å; L579-I583 WeakPolarHBondContact O-CD1 3.28Å; L579-I583 WeakPolarHBondContact O-CG1 3.27Å; L579-I583 PolarHBondContact O-N 3.5Å; V580-I583 PolarHBondContact O-N 3.19Å; I583-L586 PolarHBondContact O-N 3.02Å; I583-Q587 WeakPolarHBondContact O-CB 3.46Å; I583-Q587 PolarHBondContact O-N 3.42Å; I583-I592 HydrophobicContact CB-CD1 4.43Å; I583-I592 HydrophobicContact CG1-CD1 4.29Å; I583-I592 HydrophobicContact CG2-CD1 4.21Å; I583-Y594 HydrophobicContact CG2-CD2 4.28Å; I583-Y594 HydrophobicContact CG2-CG 3.91Å; I583-I626 HydrophobicContact CD1-CD1 3.75Å; I583-I626 HydrophobicContact CG1-CD1 4.04Å |
| 584 | E | 83.7 | Confident | 84.9 | Confident | 97 Ų | 97 | 26.7 Ų | 26.7 | 45% | 0.453 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -57.5 | -50.2 | 175 | -72.8 | 177 | 169.5 | 0 | 0 | 111.4 | V580 T581 L582 L586 Q587 Y588 | V580-E584 HydrophobicContact CG1-CG 4.36Å; V580-E584 WeakPolarHBondContact O-CG 3.39Å; V580-E584 PolarHBondContact O-N 2.86Å; T581-E584 PolarHBondContact O-N 3.03Å; L582-E584 VanDerWaalsContact C-N 3.31Å; L582-E584 PolarHBondContact O-N 3.38Å; E584-L586 PolarHBondContact O-N 2.92Å; E584-Q587 PolarHBondContact O-N 3.02Å; E584-Y588 HydrophobicContact CB-CE2 4.45Å; E584-Y588 WeakPolarHBondContact O-CD2 3.42Å; E584-Y588 PolarHBondContact O-N 3.49Å |
| 585 | H | 85 | Confident | 84.6 | Confident | 19 Ų | 19 | 27.7 Ų | 27.7 | 9% | 0.088 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.9 | -45.8 | 178.2 | -73.3 | 104.4 | 0 | 0 | 0 | 112.6 | P532 R533 M538 T581 L582 Q587 Y588 A589 | P532-H585 VanDerWaalsContact CB-NE2 3.25Å; P532-H585 WeakPolarHBondContact CB-NE2 3.49Å; P532-H585 VanDerWaalsContact CG-NE2 3.32Å; P532-H585 WeakPolarHBondContact CG-NE2 3.44Å; P532-H585 PolarHBondContact O-NE2 3.26Å; R533-H585 PolarHBondContact O-NE2 3.5Å; M538-H585 HydrophobicContact CE-CB 3.42Å; M538-H585 VanDerWaalsContact CE-CB 3.42Å; M538-H585 HydrophobicContact SD-CB 3.88Å; T581-H585 PolarHBondContact O-N 3.43Å; T581-H585 PolarHBondContact O-ND1 3.4Å; L582-H585 PolarHBondContact O-N 2.91Å; H585-Q587 VanDerWaalsContact C-N 3.28Å; H585-Q587 PolarHBondContact O-N 3.27Å; H585-Y588 PolarHBondContact O-N 3.08Å; H585-A589 PolarHBondContact O-N 3.09Å; H585-A589 VanDerWaalsContact O-N 3.1Å |
| 586 | L | 86.8 | Confident | 84.2 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.1 | -35.9 | 178.5 | -67.8 | 169.7 | 0 | 0 | 0 | 111.7 | M538 L541 L545 F562 L582 I583 E584 A589 G590 N591 I592 | M538-L586 HydrophobicContact CE-CD2 3.52Å; M538-L586 HydrophobicContact CE-CG 3.63Å; M538-L586 HydrophobicContact SD-CD2 4.42Å; M538-L586 HydrophobicContact SD-CG 4.13Å; L541-L586 HydrophobicContact CD2-CD1 3.43Å; L541-L586 VanDerWaalsContact CD2-CD1 3.43Å; L541-L586 HydrophobicContact CD2-CD2 3.82Å; L541-L586 HydrophobicContact CD2-CG 4.19Å; L545-L586 HydrophobicContact CD1-CD1 4.24Å; L545-L586 HydrophobicContact CD1-CD2 3.79Å; F562-L586 HydrophobicContact CZ-CD1 4.34Å; L582-L586 HydrophobicContact CD2-CD1 3.57Å; L582-L586 HydrophobicContact CG-CD1 3.89Å; L582-L586 HydrophobicContact CG-CG 4.39Å; L582-L586 VanDerWaalsContact O-CG 3.31Å; L582-L586 WeakPolarHBondContact O-CG 3.43Å; L582-L586 PolarHBondContact O-N 2.88Å; I583-L586 PolarHBondContact O-N 3.02Å; E584-L586 PolarHBondContact O-N 2.92Å; L586-A589 PolarHBondContact O-N 3.37Å; L586-G590 PolarHBondContact O-N 3.41Å; L586-N591 HydrophobicContact CB-CB 4.32Å; L586-N591 HydrophobicContact CD2-CB 4.12Å; L586-N591 PolarHBondContact O-N 3.07Å; L586-I592 HydrophobicContact CB-CD1 3.66Å; L586-I592 HydrophobicContact CB-CG1 3.6Å; L586-I592 HydrophobicContact CD1-CD1 3.64Å; L586-I592 HydrophobicContact CD1-CG1 4.35Å; L586-I592 HydrophobicContact CD1-CG2 4.44Å; L586-I592 HydrophobicContact CG-CD1 4.34Å |
| 587 | Q | 87.7 | Confident | 83.5 | Confident | 51 Ų | 51 | 30.1 Ų | 30.1 | 24% | 0.238 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.4 | -44.1 | 174.8 | -179.3 | 148.9 | -41.2 | 0 | 0 | 110.8 | K302 I583 E584 H585 A589 G590 Y594 | K302-Q587 WeakPolarHBondContact CE-O 3.4Å; K302-Q587 PolarHBondContact NZ-O 2.97Å; I583-Q587 WeakPolarHBondContact O-CB 3.46Å; I583-Q587 PolarHBondContact O-N 3.42Å; E584-Q587 PolarHBondContact O-N 3.02Å; H585-Q587 VanDerWaalsContact C-N 3.28Å; H585-Q587 PolarHBondContact O-N 3.27Å; Q587-A589 VanDerWaalsContact C-N 3.28Å; Q587-A589 PolarHBondContact O-N 3.43Å; Q587-G590 PolarHBondContact O-N 3.23Å; Q587-Y594 VanDerWaalsContact OE1-CB 3.31Å |
| 588 | Y | 83.3 | Confident | 82.1 | Confident | 71 Ų | 71 | 29.4 Ų | 29.4 | 28% | 0.278 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -57.6 | -41.8 | 174.9 | -79.4 | -61.1 | 0 | 0 | 0 | 112.3 | L531 E584 H585 G590 | L531-Y588 HydrophobicContact CD2-CD1 3.96Å; L531-Y588 HydrophobicContact CD2-CD2 4.31Å; L531-Y588 HydrophobicContact CD2-CE1 4.43Å; L531-Y588 HydrophobicContact CD2-CG 3.9Å; E584-Y588 HydrophobicContact CB-CE2 4.45Å; E584-Y588 WeakPolarHBondContact O-CD2 3.42Å; E584-Y588 PolarHBondContact O-N 3.49Å; H585-Y588 PolarHBondContact O-N 3.08Å; Y588-G590 PolarHBondContact O-N 2.9Å |
| 589 | A | 83.9 | Confident | 80.4 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.008 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -9.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | M298 R300 T383 H585 L586 Q587 N591 | M298-A589 HydrophobicContact CE-CB 3.1Å; M298-A589 HydrophobicContact SD-CB 3.32Å; M298-A589 WeakPolarHBondContact SD-CB 3.37Å; R300-A589 PolarHBondContact NE-O 2.79Å; T383-A589 WeakPolarHBondContact CB-O 3.49Å; T383-A589 WeakPolarHBondContact CG2-O 3.49Å; T383-A589 PolarHBondContact OG1-O 3.34Å; H585-A589 PolarHBondContact O-N 3.09Å; H585-A589 VanDerWaalsContact O-N 3.1Å; L586-A589 PolarHBondContact O-N 3.37Å; Q587-A589 VanDerWaalsContact C-N 3.28Å; Q587-A589 PolarHBondContact O-N 3.43Å; A589-N591 VanDerWaalsContact C-N 3.35Å; A589-N591 VanDerWaalsContact CB-OD1 3.25Å; A589-N591 WeakPolarHBondContact CB-OD1 3.5Å |
| 590 | G | 83.1 | Confident | 78.2 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 21.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | L586 Q587 Y588 | L586-G590 PolarHBondContact O-N 3.41Å; Q587-G590 PolarHBondContact O-N 3.23Å; Y588-G590 PolarHBondContact O-N 2.9Å |
| 591 | N | 81.9 | Confident | 75.7 | Confident | 16 Ų | 16 | 40.9 Ų | 40.9 | 9% | 0.086 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -73.1 | -41.3 | 175.3 | -69 | 57.2 | 0 | 0 | 0 | 111.6 | R300 L545 L586 A589 P630 | R300-N591 PolarHBondContact NH2-ND2 2.87Å; R300-N591 PolarHBondContact NH2-OD1 3.49Å; L545-N591 HydrophobicContact CD1-CB 4.12Å; L586-N591 HydrophobicContact CB-CB 4.32Å; L586-N591 HydrophobicContact CD2-CB 4.12Å; L586-N591 PolarHBondContact O-N 3.07Å; A589-N591 VanDerWaalsContact C-N 3.35Å; A589-N591 VanDerWaalsContact CB-OD1 3.25Å; A589-N591 WeakPolarHBondContact CB-OD1 3.5Å; N591-P630 WeakPolarHBondContact O-CD 2.88Å |
| 592 | I | 87.9 | Confident | 73.2 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -131.6 | 166.3 | -178.2 | 73.4 | 178 | 0 | 0 | 0 | 109.4 | L545 I583 L586 I626 I627 | L545-I592 HydrophobicContact CD1-CG2 4.11Å; L545-I592 HydrophobicContact CD2-CG2 3.97Å; I583-I592 HydrophobicContact CB-CD1 4.43Å; I583-I592 HydrophobicContact CG1-CD1 4.29Å; I583-I592 HydrophobicContact CG2-CD1 4.21Å; L586-I592 HydrophobicContact CB-CD1 3.66Å; L586-I592 HydrophobicContact CB-CG1 3.6Å; L586-I592 HydrophobicContact CD1-CD1 3.64Å; L586-I592 HydrophobicContact CD1-CG1 4.35Å; L586-I592 HydrophobicContact CD1-CG2 4.44Å; L586-I592 HydrophobicContact CG-CD1 4.34Å; I592-I626 HydrophobicContact CB-CG2 4.42Å; I592-I626 HydrophobicContact CD1-CG2 4.2Å; I592-I627 WeakPolarHBondContact CA-O 3.38Å; I592-I627 VanDerWaalsContact CB-O 3.31Å; I592-I627 WeakPolarHBondContact CB-O 3.36Å | ||
| 593 | L | 85.2 | Confident | 70.3 | Confident | 11 Ų | 11 | 48.7 Ų | 48.7 | 6% | 0.058 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 133.5 | 165.8 | -61.4 | 157.7 | 0 | 0 | 0 | 109.1 | W385 F400 I627 P630 | W385-L593 HydrophobicContact CH2-CD1 4.02Å; W385-L593 HydrophobicContact CH2-CD2 3.83Å; W385-L593 HydrophobicContact CH2-CG 4.23Å; W385-L593 HydrophobicContact CZ2-CD2 4.33Å; F400-L593 HydrophobicContact CD1-CD1 3.97Å; F400-L593 HydrophobicContact CD1-CD2 4.29Å; F400-L593 HydrophobicContact CE1-CD1 3.53Å; L593-I627 HydrophobicContact CB-CB 4.1Å; L593-I627 HydrophobicContact CB-CD1 3.69Å; L593-I627 HydrophobicContact CB-CG1 4.49Å; L593-I627 HydrophobicContact CD1-CD1 3.9Å; L593-I627 HydrophobicContact CD1-CG2 4.48Å; L593-I627 PolarHBondContact N-O 3.29Å; L593-I627 VanDerWaalsContact N-O 3.09Å; L593-I627 PolarHBondContact O-N 3.24Å; L593-P630 HydrophobicContact CD1-CB 3.81Å; L593-P630 HydrophobicContact CD1-CG 4.16Å; L593-P630 HydrophobicContact CG-CB 4.2Å; L593-P630 HydrophobicContact CG-CG 4.06Å |
| 594 | Y | 87 | Confident | 67.6 | Low | 35 Ų | 35 | 54 Ų | 54 | 14% | 0.137 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 128 | 172.3 | 164.5 | -102.5 | 0 | 0 | 0 | 109.6 | I583 Q587 Q596 D624 I626 | I583-Y594 HydrophobicContact CG2-CD2 4.28Å; I583-Y594 HydrophobicContact CG2-CG 3.91Å; Q587-Y594 VanDerWaalsContact OE1-CB 3.31Å; Y594-Q596 HydrophobicContact CD1-CG 4.31Å; Y594-Q596 HydrophobicContact CE1-CG 3.4Å; Y594-Q596 WeakPolarHBondContact OH-CG 3.34Å; Y594-D624 HydrophobicContact CE2-CB 3.69Å; Y594-D624 PolarHBondContact OH-OD2 2.97Å; Y594-I626 HydrophobicContact CD2-CG1 4.25Å |
| 595 | I | 81.8 | Confident | 64.8 | Low | 20 Ų | 20 | 55.1 Ų | 55.1 | 10% | 0.103 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 122.4 | -179.5 | -62.5 | 171 | 0 | 0 | 0 | 109 | L625 I627 L676 S679 F680 | I595-L625 HydrophobicContact CB-CB 4.47Å; I595-L625 PolarHBondContact N-O 2.77Å; I595-L625 PolarHBondContact O-N 2.94Å; I595-L625 VanDerWaalsContact O-N 3.08Å; I595-I627 HydrophobicContact CD1-CD1 3.27Å; I595-I627 HydrophobicContact CD1-CG1 4.36Å; I595-I627 HydrophobicContact CG1-CD1 3.98Å; I595-L676 HydrophobicContact CD1-CD1 3.58Å; I595-L676 HydrophobicContact CD1-CG 4.26Å; I595-S679 WeakPolarHBondContact CG2-OG 3.35Å; I595-F680 HydrophobicContact CD1-CE1 3.41Å; I595-F680 VanDerWaalsContact CD1-CE1 3.41Å; I595-F680 HydrophobicContact CD1-CZ 3.41Å; I595-F680 VanDerWaalsContact CD1-CZ 3.41Å; I595-F680 HydrophobicContact CG1-CE1 4.06Å; I595-F680 HydrophobicContact CG1-CZ 4.44Å; I595-F680 HydrophobicContact CG2-CE1 4.28Å |
| 596 | Q | 75.4 | Confident | 62 | Low | 96 Ų | 96 | 62.4 Ų | 62.4 | 45% | 0.449 | 33% | 0.332 | S | S | . | . | trans | -79.6 | 125.3 | 173.8 | -69.6 | 173.8 | -12.8 | 0 | 0 | 110 | Y594 R600 D624 | Y594-Q596 HydrophobicContact CD1-CG 4.31Å; Y594-Q596 HydrophobicContact CE1-CG 3.4Å; Y594-Q596 WeakPolarHBondContact OH-CG 3.34Å; Q596-R600 VanDerWaalsContact CD-CZ 3.46Å; Q596-D624 WeakPolarHBondContact CA-OD1 3.48Å | ||
| 597 | T | 66.1 | Low | 59.1 | Low | 8 Ų | 8 | 66.6 Ų | 66.6 | 5% | 0.049 | 36% | 0.362 | C | S | . | . | trans | -85.4 | 148.4 | 178 | 57.4 | 0 | 0 | 0 | 0 | 111.5 | S599 D623 D624 L625 | T597-S599 PolarHBondContact O-N 3.44Å; T597-S599 VanDerWaalsContact O-N 3.13Å; T597-D623 WeakPolarHBondContact CG2-O 3.33Å; T597-D623 WeakPolarHBondContact OG1-CB 3.37Å; T597-D623 PolarHBondContact OG1-O 3.01Å; T597-D624 PolarHBondContact N-OD1 2.79Å; T597-D624 PolarHBondContact OG1-OD1 3.26Å; T597-L625 HydrophobicContact CG2-CD1 4.29Å; T597-L625 HydrophobicContact CG2-CG 4.13Å | ||
| 598 | T | 53 | Low | 56.1 | Low | 56 Ų | 56 | 70.3 Ų | 70.3 | 34% | 0.344 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -77.4 | 10 | -165.6 | 44.2 | 0 | 0 | 0 | 0 | 115.9 | R600 | T598-R600 PolarHBondContact O-N 3.1Š|
| 599 | S | 49.3 | Very low | 53.4 | Low | 50 Ų | 50 | 71 Ų | 71 | 35% | 0.35 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -61.5 | -7.2 | 176.1 | 48.7 | 0 | 0 | 0 | 0 | 113.8 | T597 N601 | T597-S599 PolarHBondContact O-N 3.44Å; T597-S599 VanDerWaalsContact O-N 3.13Å; S599-N601 PolarHBondContact O-N 3.05Å |
| 600 | R | 40.1 | Very low | 50.6 | Low | 108 Ų | 108 | 78 Ų | 78 | 41% | 0.408 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -57.8 | -14.7 | 175.2 | -69.5 | -174.9 | 174.3 | 168.2 | 1.4 | 116.6 | Q596 T598 Y621 | Q596-R600 VanDerWaalsContact CD-CZ 3.46Å; T598-R600 PolarHBondContact O-N 3.1Å; R600-Y621 HydrophobicContact CG-CE2 4.13Å |
| 601 | N | 31.3 | Very low | 48 | Very low | 153 Ų | 153 | 82.9 Ų | 82.9 | 82% | 0.818 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -108.3 | 10.8 | -170.1 | -76.4 | 0.3 | 0 | 0 | 0 | 116.2 | S599 | S599-N601 PolarHBondContact O-N 3.05Š|
| 602 | T | 29.6 | Very low | 45.4 | Very low | 91 Ų | 91 | 87.4 Ų | 87.4 | 56% | 0.558 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -134.5 | 125.4 | 169.6 | 50.2 | 0 | 0 | 0 | 0 | 108.9 | ||
| 603 | T | 28.2 | Very low | 42.7 | Very low | 131 Ų | 131 | 94.5 Ų | 94.5 | 80% | 0.804 | 55% | 0.551 | S | S | * | * | S | Bend | trans | 80 | 47.9 | 170.7 | 76.4 | 0 | 0 | 0 | 0 | 119.5 | ||
| 604 | V | 29.2 | Very low | 40.1 | Very low | 121 Ų | 121 | 100.3 Ų | 100.3 | 73% | 0.733 | 58% | 0.583 | S | S | * | * | trans | -118.7 | 57.6 | 141 | -167.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 605 | N | 25.3 | Very low | 37.6 | Very low | 119 Ų | 119 | 103.9 Ų | 103.9 | 64% | 0.636 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -87.5 | 131 | 159.7 | -78.5 | -18.1 | 0 | 0 | 0 | 106.6 | S607 | N605-S607 VanDerWaalsContact C-N 3.26Å; N605-S607 PolarHBondContact O-N 3.33Å |
| 606 | N | 25.1 | Very low | 35.5 | Very low | 172 Ų | 172 | 109 Ų | 109 | 92% | 0.92 | 63% | 0.631 | S | S | * | * | trans | -47.9 | 88.2 | 167.8 | -66 | -34.8 | 0 | 0 | 0 | 110.9 | ||||
| 607 | S | 26.1 | Very low | 33.7 | Very low | 89 Ų | 89 | 113 Ų | 113 | 62% | 0.622 | 65% | 0.647 | S | S | * | * | trans | -125.1 | 101.6 | 158.8 | 54.9 | 0 | 0 | 0 | 0 | 106.8 | N605 S609 | N605-S607 VanDerWaalsContact C-N 3.26Å; N605-S607 PolarHBondContact O-N 3.33Å; S607-S609 PolarHBondContact O-N 2.96Å | ||
| 608 | S | 25.2 | Very low | 32.6 | Very low | 128 Ų | 128 | 114.3 Ų | 114.3 | 90% | 0.895 | 65% | 0.652 | S | S | * | * | trans | -50.6 | 86.9 | 159.1 | 49.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 609 | S | 25.9 | Very low | 32.2 | Very low | 86 Ų | 86 | 119.2 Ų | 119.2 | 60% | 0.601 | 67% | 0.665 | S | S | * | * | trans | -154.6 | 82.8 | 155.5 | 59.9 | 0 | 0 | 0 | 0 | 107.3 | S607 T611 | S607-S609 PolarHBondContact O-N 2.96Å; S609-T611 VanDerWaalsContact C-N 3.27Å; S609-T611 PolarHBondContact O-N 3.17Å | ||
| 610 | V | 25.4 | Very low | 32.4 | Very low | 148 Ų | 148 | 119.6 Ų | 119.6 | 90% | 0.897 | 66% | 0.659 | S | S | * | * | trans | -66.9 | 92.3 | 163.3 | 177.4 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 611 | T | 28.2 | Very low | 33 | Very low | 102 Ų | 102 | 118.2 Ų | 118.2 | 63% | 0.626 | 66% | 0.655 | S | S | * | * | trans | -88.6 | 141.1 | 155 | 47.4 | 0 | 0 | 0 | 0 | 107.7 | S609 D613 | S609-T611 VanDerWaalsContact C-N 3.27Å; S609-T611 PolarHBondContact O-N 3.17Å; T611-D613 VanDerWaalsContact C-N 3.27Å; T611-D613 PolarHBondContact O-N 3.28Å | ||
| 612 | S | 28.3 | Very low | 34.3 | Very low | 111 Ų | 111 | 117.7 Ų | 117.7 | 78% | 0.776 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | 29.4 | -146.7 | 45.6 | 0 | 0 | 0 | 0 | 117.7 | ||
| 613 | D | 30.9 | Very low | 36.1 | Very low | 149 Ų | 149 | 117 Ų | 117 | 80% | 0.797 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.5 | -1.8 | -179.3 | -75 | -47.3 | 0 | 0 | 0 | 115.9 | T611 N615 | T611-D613 VanDerWaalsContact C-N 3.27Å; T611-D613 PolarHBondContact O-N 3.28Å; D613-N615 PolarHBondContact O-N 3.03Å |
| 614 | D | 31.8 | Very low | 38.6 | Very low | 134 Ų | 134 | 110.7 Ų | 110.7 | 72% | 0.717 | 60% | 0.6 | S | S | * | * | trans | -100.2 | 84.9 | -176.2 | -67.5 | -29.4 | 0 | 0 | 0 | 112.7 | D616 | D614-D616 PolarHBondContact O-N 3.42Å; D614-D616 VanDerWaalsContact O-N 3.15Å | ||
| 615 | N | 33.4 | Very low | 41.2 | Very low | 110 Ų | 110 | 105 Ų | 105 | 59% | 0.588 | 57% | 0.565 | S | S | * | * | trans | -76.8 | 27.1 | 171.2 | -102.2 | -39.5 | 0 | 0 | 0 | 113.4 | D613 K617 Y618 | D613-N615 PolarHBondContact O-N 3.03Å; N615-K617 VanDerWaalsContact C-N 3.26Å; N615-K617 PolarHBondContact O-N 3.16Å; N615-Y618 HydrophobicContact CB-CE2 4.46Å; N615-Y618 WeakPolarHBondContact O-CD2 3.34Å; N615-Y618 WeakPolarHBondContact O-CE2 3.46Å | ||
| 616 | D | 37.7 | Very low | 44.2 | Very low | 126 Ų | 126 | 99.3 Ų | 99.3 | 67% | 0.674 | 53% | 0.534 | S | S | * | . | trans | -86.3 | 53.3 | -173.5 | -79 | -12.9 | 0 | 0 | 0 | 113.2 | D614 | D614-D616 PolarHBondContact O-N 3.42Å; D614-D616 VanDerWaalsContact O-N 3.15Å | ||
| 617 | K | 36.8 | Very low | 47.2 | Very low | 180 Ų | 180 | 91.1 Ų | 91.1 | 78% | 0.783 | 49% | 0.49 | S | S | * | . | trans | -112.9 | 23.9 | 173.9 | -126.8 | 179.3 | -172.9 | 179 | 0 | 113.4 | N615 | N615-K617 VanDerWaalsContact C-N 3.26Å; N615-K617 PolarHBondContact O-N 3.16Å | ||
| 618 | Y | 43.1 | Very low | 50.1 | Low | 36 Ų | 36 | 87 Ų | 87 | 14% | 0.141 | 46% | 0.462 | C | S | . | . | S | Bend | trans | -105.2 | 151 | -172.1 | -67.3 | -61.4 | 0 | 0 | 0 | 113.8 | Y204 L205 N615 Y620 | Y204-Y618 AromaticContact CD1-CE1 3.77Å; Y204-Y618 HydrophobicContact CD1-CE1 3.77Å; Y204-Y618 AromaticContact CD1-CZ 3.72Å; Y204-Y618 VanDerWaalsContact CD1-OH 3.29Å; Y204-Y618 WeakPolarHBondContact CD1-OH 3.41Å; Y204-Y618 AromaticContact CE1-CD1 3.59Å; Y204-Y618 HydrophobicContact CE1-CD1 3.59Å; Y204-Y618 AromaticContact CE1-CE1 2.87Å; Y204-Y618 HydrophobicContact CE1-CE1 2.87Å; Y204-Y618 HydrophobicContact CE1-CE2 4.21Å; Y204-Y618 HydrophobicContact CE1-CG 4.49Å; Y204-Y618 AromaticContact CE1-CZ 3.23Å; Y204-Y618 WeakPolarHBondContact CE1-OH 3.45Å; Y204-Y618 HydrophobicContact CE2-CE1 4.49Å; Y204-Y618 AromaticContact CZ-CD1 3.74Å; Y204-Y618 AromaticContact CZ-CE1 3.29Å; Y204-Y618 WeakPolarHBondContact OH-CD1 3.41Å; Y204-Y618 WeakPolarHBondContact OH-CE1 3.4Å; L205-Y618 HydrophobicContact CD1-CD1 4.4Å; L205-Y618 HydrophobicContact CD1-CE1 3.63Å; L205-Y618 HydrophobicContact CD2-CE1 4.38Å; L205-Y618 HydrophobicContact CG-CE1 3.87Å; N615-Y618 HydrophobicContact CB-CE2 4.46Å; N615-Y618 WeakPolarHBondContact O-CD2 3.34Å; N615-Y618 WeakPolarHBondContact O-CE2 3.46Å; Y618-Y620 PolarHBondContact O-N 2.85Å |
| 619 | Y | 46.2 | Very low | 53.1 | Low | 159 Ų | 159 | 82.8 Ų | 82.8 | 62% | 0.624 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -57 | -6.5 | -176.2 | -71.9 | -90 | 0 | 0 | 0 | 115.3 | ||
| 620 | Y | 51.8 | Low | 56 | Low | 59 Ų | 59 | 78.8 Ų | 78.8 | 23% | 0.231 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -136.5 | 134.5 | -178.2 | -63.5 | -73.3 | 0 | 0 | 0 | 111.3 | L559 V580 Y618 | L559-Y620 VanDerWaalsContact CD2-CB 3.48Å; L559-Y620 HydrophobicContact CD2-CD1 3.48Å; L559-Y620 VanDerWaalsContact CD2-CD1 3.48Å; L559-Y620 HydrophobicContact CD2-CG 3.6Å; V580-Y620 HydrophobicContact CB-CE2 4.27Å; V580-Y620 WeakPolarHBondContact CB-OH 3.34Å; V580-Y620 WeakPolarHBondContact CG1-OH 3.33Å; V580-Y620 HydrophobicContact CG2-CD2 4.14Å; V580-Y620 HydrophobicContact CG2-CE1 4.13Å; V580-Y620 HydrophobicContact CG2-CE2 3Å; V580-Y620 WeakPolarHBondContact CG2-OH 3.32Å; Y618-Y620 PolarHBondContact O-N 2.85Å |
| 621 | Y | 53.8 | Low | 59 | Low | 79 Ų | 79 | 73.6 Ų | 73.6 | 31% | 0.31 | 37% | 0.368 | S | S | . | . | trans | -90.7 | 133.2 | 169.2 | -67.7 | -85.5 | 0 | 0 | 0 | 108.2 | R600 D623 D624 | R600-Y621 HydrophobicContact CG-CE2 4.13Å; Y621-D623 PolarHBondContact O-N 3.48Å; Y621-D624 PolarHBondContact O-N 3.31Å | ||
| 622 | K | 58.7 | Low | 61.7 | Low | 142 Ų | 142 | 71.8 Ų | 71.8 | 62% | 0.617 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | -25.7 | 177.9 | -73.7 | -168.3 | 161.4 | 176.4 | 0 | 113.7 | D560 | D560-K622 WeakPolarHBondContact OD2-CD 3.13Å; D560-K622 VanDerWaalsContact OD2-CE 3.26Å; D560-K622 WeakPolarHBondContact OD2-CE 3.39Å; D560-K622 WeakPolarHBondContact OD2-CG 3.49Å |
| 623 | D | 67.2 | Low | 64.5 | Low | 75 Ų | 75 | 66.5 Ų | 66.5 | 40% | 0.401 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -11.1 | -176 | -77.6 | -44.1 | 0 | 0 | 0 | 115.4 | T597 Y621 K675 | T597-D623 WeakPolarHBondContact CG2-O 3.33Å; T597-D623 WeakPolarHBondContact OG1-CB 3.37Å; T597-D623 PolarHBondContact OG1-O 3.01Å; Y621-D623 PolarHBondContact O-N 3.48Å; D623-K675 VanDerWaalsContact CA-NZ 3.32Å; D623-K675 VanDerWaalsContact CG-NZ 3.3Å; D623-K675 PolarHBondContact O-NZ 3.12Å; D623-K675 IonicContact OD1-NZ 3.09Å; D623-K675 PolarHBondContact OD1-NZ 2.91Å |
| 624 | D | 79.8 | Confident | 67.2 | Low | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -66.3 | 146.9 | 179.4 | -71.8 | -17.5 | 0 | 0 | 0 | 112.3 | L559 Y594 Q596 T597 Y621 | L559-D624 HydrophobicContact CB-CB 4.43Å; L559-D624 HydrophobicContact CD2-CB 4.48Å; L559-D624 PolarHBondContact N-O 2.82Å; Y594-D624 HydrophobicContact CE2-CB 3.69Å; Y594-D624 PolarHBondContact OH-OD2 2.97Å; Q596-D624 WeakPolarHBondContact CA-OD1 3.48Å; T597-D624 PolarHBondContact N-OD1 2.79Å; T597-D624 PolarHBondContact OG1-OD1 3.26Å; Y621-D624 PolarHBondContact O-N 3.31Å | ||
| 625 | L | 84.9 | Confident | 69.8 | Low | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 138.4 | -171.1 | -62.2 | 174.7 | 0 | 0 | 0 | 111.2 | I556 N558 I595 T597 I672 L676 | I556-L625 HydrophobicContact CG2-CB 4.28Å; I556-L625 HydrophobicContact CG2-CD2 4.27Å; N558-L625 VanDerWaalsContact OD1-CD2 3.28Å; N558-L625 WeakPolarHBondContact OD1-CD2 3.36Å; I595-L625 HydrophobicContact CB-CB 4.47Å; I595-L625 PolarHBondContact N-O 2.77Å; I595-L625 PolarHBondContact O-N 2.94Å; I595-L625 VanDerWaalsContact O-N 3.08Å; T597-L625 HydrophobicContact CG2-CD1 4.29Å; T597-L625 HydrophobicContact CG2-CG 4.13Å; L625-I672 HydrophobicContact CD2-CG2 4.11Å; L625-L676 HydrophobicContact CD1-CB 3.94Å |
| 626 | I | 88 | Confident | 72.1 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 127.7 | 170.4 | -69.1 | 179.5 | 0 | 0 | 0 | 109.5 | I556 C557 L559 F562 I583 I592 Y594 L628 | I556-I626 WeakPolarHBondContact CA-O 3.35Å; C557-I626 PolarHBondContact N-O 3.04Å; C557-I626 PolarHBondContact O-N 3.34Å; L559-I626 HydrophobicContact CD1-CD1 3.39Å; L559-I626 HydrophobicContact CD1-CG1 4.18Å; F562-I626 HydrophobicContact CB-CD1 3.74Å; F562-I626 HydrophobicContact CD1-CD1 3.35Å; F562-I626 HydrophobicContact CD2-CD1 4.23Å; F562-I626 HydrophobicContact CD2-CG2 4.22Å; F562-I626 HydrophobicContact CE1-CD1 3.96Å; F562-I626 HydrophobicContact CG-CD1 3.5Å; F562-I626 VanDerWaalsContact CG-CD1 3.5Å; F562-I626 HydrophobicContact CG-CG2 4.45Å; I583-I626 HydrophobicContact CD1-CD1 3.75Å; I583-I626 HydrophobicContact CG1-CD1 4.04Å; I592-I626 HydrophobicContact CB-CG2 4.42Å; I592-I626 HydrophobicContact CD1-CG2 4.2Å; Y594-I626 HydrophobicContact CD2-CG1 4.25Å; I626-L628 HydrophobicContact CG2-CD2 3.93Å |
| 627 | I | 88.2 | Confident | 74.3 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 113.3 | 174.1 | -58.3 | 145.7 | 0 | 0 | 0 | 108.2 | P555 I556 I592 L593 I595 L633 L676 | P555-I627 CarbonylContact O-C 3.52Å; P555-I627 VanDerWaalsContact O-CA 3.3Å; P555-I627 WeakPolarHBondContact O-CA 3.4Å; I556-I627 HydrophobicContact CG1-CG1 4.31Å; I556-I627 HydrophobicContact CG2-CG1 4.5Å; I592-I627 WeakPolarHBondContact CA-O 3.38Å; I592-I627 VanDerWaalsContact CB-O 3.31Å; I592-I627 WeakPolarHBondContact CB-O 3.36Å; L593-I627 HydrophobicContact CB-CB 4.1Å; L593-I627 HydrophobicContact CB-CD1 3.69Å; L593-I627 HydrophobicContact CB-CG1 4.49Å; L593-I627 HydrophobicContact CD1-CD1 3.9Å; L593-I627 HydrophobicContact CD1-CG2 4.48Å; L593-I627 PolarHBondContact N-O 3.29Å; L593-I627 VanDerWaalsContact N-O 3.09Å; L593-I627 PolarHBondContact O-N 3.24Å; I595-I627 HydrophobicContact CD1-CD1 3.27Å; I595-I627 HydrophobicContact CD1-CG1 4.36Å; I595-I627 HydrophobicContact CG1-CD1 3.98Å; I627-L633 HydrophobicContact CD1-CD2 3.24Å; I627-L633 HydrophobicContact CG1-CD2 3.82Å; I627-L633 HydrophobicContact CG2-CB 4Å; I627-L633 HydrophobicContact CG2-CD2 4.03Å; I627-L676 HydrophobicContact CD1-CD1 4.06Å; I627-L676 HydrophobicContact CG1-CD1 4.3Å |
| 628 | L | 86.9 | Confident | 76.6 | Confident | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.016 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -78.5 | -27.7 | -178.5 | -60.8 | 176.1 | 0 | 0 | 0 | 112.4 | L545 T549 D552 P555 F562 I626 | L545-L628 HydrophobicContact CD2-CD2 4.16Å; T549-L628 HydrophobicContact CG2-CB 4.07Å; T549-L628 WeakPolarHBondContact CG2-O 3.37Å; D552-L628 WeakPolarHBondContact OD2-CD1 3.34Å; P555-L628 PolarHBondContact O-N 2.86Å; F562-L628 HydrophobicContact CD2-CD2 3.83Å; F562-L628 HydrophobicContact CE2-CD2 3.91Å; I626-L628 HydrophobicContact CG2-CD2 3.93Å |
| 629 | N | 87.2 | Confident | 78.6 | Confident | 40 Ų | 40 | 34.6 Ų | 34.6 | 21% | 0.214 | 16% | 0.164 | C | C | . | . | trans | -129.3 | 92.2 | 178.1 | -172.5 | -15.4 | 0 | 0 | 0 | 110.9 | T549 P555 N631 Q632 L633 | T549-N629 HydrophobicContact CG2-CB 4.07Å; P555-N629 HydrophobicContact CB-CB 3.7Å; N629-N631 VanDerWaalsContact C-N 3.27Å; N629-N631 PolarHBondContact O-N 3.3Å; N629-N631 PolarHBondContact OD1-N 3.43Å; N629-Q632 HydrophobicContact CB-CB 4.19Å; N629-Q632 PolarHBondContact O-N 3.08Å; N629-Q632 PolarHBondContact OD1-N 3.38Å; N629-L633 PolarHBondContact O-N 3.41Å | ||
| 630 | P | 88.6 | Confident | 80.3 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -56.9 | -37.6 | 179.8 | -27.6 | 35.8 | 0 | 0 | 0 | 113.5 | W385 N591 L593 L633 C634 | W385-P630 HydrophobicContact CH2-CB 3.88Å; W385-P630 HydrophobicContact CZ2-CB 4.15Å; N591-P630 WeakPolarHBondContact O-CD 2.88Å; L593-P630 HydrophobicContact CD1-CB 3.81Å; L593-P630 HydrophobicContact CD1-CG 4.16Å; L593-P630 HydrophobicContact CG-CB 4.2Å; L593-P630 HydrophobicContact CG-CG 4.06Å; P630-L633 PolarHBondContact O-N 3.25Å; P630-C634 WeakPolarHBondContact O-CB 3.46Å; P630-C634 PolarHBondContact O-N 3.01Å; P630-C634 PolarHBondContact O-SG 3.11Å |
| 631 | N | 88.3 | Confident | 81.6 | Confident | 39 Ų | 39 | 30 Ų | 30 | 21% | 0.209 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.1 | -47.6 | -178 | -165 | 7 | 0 | 0 | 0 | 111.3 | D375 V376 N629 L633 C634 S635 | D375-N631 PolarHBondContact OD1-ND2 3.22Å; D375-N631 PolarHBondContact OD1-OD1 3Å; D375-N631 VanDerWaalsContact OD1-OD1 3.12Å; V376-N631 HydrophobicContact CB-CB 3.9Å; V376-N631 PolarHBondContact N-OD1 3.1Å; V376-N631 PolarHBondContact O-ND2 2.98Å; N629-N631 VanDerWaalsContact C-N 3.27Å; N629-N631 PolarHBondContact O-N 3.3Å; N629-N631 PolarHBondContact OD1-N 3.43Å; N631-L633 PolarHBondContact O-N 2.89Å; N631-C634 PolarHBondContact O-N 3.09Å; N631-S635 PolarHBondContact O-N 2.99Å; N631-S635 PolarHBondContact O-OG 3.13Å; N631-S635 WeakPolarHBondContact OD1-CB 3.49Å; N631-S635 PolarHBondContact OD1-OG 2.94Å |
| 632 | Q | 84.9 | Confident | 82.9 | Confident | 64 Ų | 64 | 26.3 Ų | 26.3 | 30% | 0.299 | 14% | 0.135 | S | C | . | . | I | π-helix | trans | -61.7 | -34.7 | -179.2 | -172 | 178.5 | -0.1 | 0 | 0 | 112.1 | V553 P555 N629 G636 I637 | V553-Q632 PolarHBondContact O-NE2 3.35Å; P555-Q632 HydrophobicContact CB-CB 4.26Å; P555-Q632 HydrophobicContact CB-CG 4.5Å; P555-Q632 HydrophobicContact CG-CB 4.06Å; P555-Q632 HydrophobicContact CG-CG 4Å; N629-Q632 HydrophobicContact CB-CB 4.19Å; N629-Q632 PolarHBondContact O-N 3.08Å; N629-Q632 PolarHBondContact OD1-N 3.38Å; Q632-G636 CarbonylContact O-C 3.57Å; Q632-G636 WeakPolarHBondContact O-CA 3.35Å; Q632-G636 PolarHBondContact O-N 3.47Å; Q632-G636 VanDerWaalsContact O-N 3.13Å; Q632-I637 PolarHBondContact O-N 3.04Å |
| 633 | L | 86.8 | Confident | 83.9 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.108 | C | C | . | . | I | π-helix | trans | -67 | -55.7 | 170.7 | 176.7 | 69.4 | 0 | 0 | 0 | 111.5 | I556 I627 N629 P630 N631 I637 L638 L676 | I556-L633 HydrophobicContact CD1-CD1 4.17Å; I627-L633 HydrophobicContact CD1-CD2 3.24Å; I627-L633 HydrophobicContact CG1-CD2 3.82Å; I627-L633 HydrophobicContact CG2-CB 4Å; I627-L633 HydrophobicContact CG2-CD2 4.03Å; N629-L633 PolarHBondContact O-N 3.41Å; P630-L633 PolarHBondContact O-N 3.25Å; N631-L633 PolarHBondContact O-N 2.89Å; L633-I637 HydrophobicContact CD1-CB 4.35Å; L633-I637 HydrophobicContact CD1-CD1 4.23Å; L633-I637 PolarHBondContact O-N 3.01Å; L633-L638 HydrophobicContact CD1-CD1 4.26Å; L633-L638 HydrophobicContact CD1-CG 4.12Å; L633-L638 HydrophobicContact CD2-CD1 4.43Å; L633-L638 HydrophobicContact CG-CD1 4Å; L633-L638 HydrophobicContact CG-CG 4.27Å; L633-L638 PolarHBondContact O-N 3.07Å; L633-L676 HydrophobicContact CD1-CD1 4.15Å; L633-L676 HydrophobicContact CD1-CD2 4.01Å; L633-L676 HydrophobicContact CD2-CD1 4.08Å |
| 634 | C | 87.8 | Confident | 84 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | I | π-helix | trans | -70.1 | -46.1 | -168.2 | -69.8 | 0 | 0 | 0 | 0 | 113.4 | I374 F400 P630 N631 G639 | I374-C634 HydrophobicContact CB-CB 3.93Å; I374-C634 CarbonylContact O-C 3.54Å; I374-C634 WeakPolarHBondContact O-CB 3.46Å; F400-C634 WeakPolarHBondContact CE1-SG 3.43Å; P630-C634 WeakPolarHBondContact O-CB 3.46Å; P630-C634 PolarHBondContact O-N 3.01Å; P630-C634 PolarHBondContact O-SG 3.11Å; N631-C634 PolarHBondContact O-N 3.09Å; C634-G639 WeakPolarHBondContact O-CA 3.43Å; C634-G639 PolarHBondContact O-N 2.7Å |
| 635 | S | 85.3 | Confident | 83.5 | Confident | 27 Ų | 27 | 25.9 Ų | 25.9 | 19% | 0.189 | 13% | 0.127 | C | C | . | . | I | π-helix | trans | -92.9 | -40.5 | 179.1 | 67.1 | 0 | 0 | 0 | 0 | 112 | H372 I374 N631 G639 | H372-S635 WeakPolarHBondContact O-CA 3.42Å; I374-S635 PolarHBondContact O-N 3.47Å; N631-S635 PolarHBondContact O-N 2.99Å; N631-S635 PolarHBondContact O-OG 3.13Å; N631-S635 WeakPolarHBondContact OD1-CB 3.49Å; N631-S635 PolarHBondContact OD1-OG 2.94Å; S635-G639 WeakPolarHBondContact O-CA 3.45Å |
| 636 | G | 81.9 | Confident | 82.7 | Confident | 24 Ų | 24 | 26.7 Ų | 26.7 | 25% | 0.247 | 13% | 0.13 | C | C | . | . | I | π-helix | trans | -76.3 | -46.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q632 K640 | Q632-G636 CarbonylContact O-C 3.57Å; Q632-G636 WeakPolarHBondContact O-CA 3.35Å; Q632-G636 PolarHBondContact O-N 3.47Å; Q632-G636 VanDerWaalsContact O-N 3.13Å; G636-K640 WeakPolarHBondContact O-CD 3.33Å; G636-K640 WeakPolarHBondContact O-CE 3.43Å; G636-K640 WeakPolarHBondContact O-CG 3.29Å |
| 637 | I | 83.7 | Confident | 81.5 | Confident | 14 Ų | 14 | 28.3 Ų | 28.3 | 7% | 0.072 | 14% | 0.139 | C | C | . | . | I | π-helix | trans | -96.7 | -68.4 | -177 | -59.3 | 170 | 0 | 0 | 0 | 109.9 | F554 P555 Q632 L633 G639 K640 C641 L673 | F554-I637 HydrophobicContact CD2-CD1 4.2Å; F554-I637 HydrophobicContact CE2-CD1 3.61Å; F554-I637 HydrophobicContact CZ-CD1 4.35Å; P555-I637 HydrophobicContact CG-CD1 4.11Å; Q632-I637 PolarHBondContact O-N 3.04Å; L633-I637 HydrophobicContact CD1-CB 4.35Å; L633-I637 HydrophobicContact CD1-CD1 4.23Å; L633-I637 PolarHBondContact O-N 3.01Å; I637-G639 PolarHBondContact O-N 2.77Å; I637-K640 PolarHBondContact O-N 3.21Å; I637-C641 WeakPolarHBondContact O-CB 3.39Å; I637-C641 PolarHBondContact O-N 3.31Å; I637-C641 PolarHBondContact O-SG 3.15Å; I637-L673 HydrophobicContact CG2-CD1 3.65Å; I637-L673 HydrophobicContact CG2-CD2 4.14Å |
| 638 | L | 86 | Confident | 80.4 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.169 | C | C | . | . | I | π-helix | trans | -64.1 | -42.1 | -176.3 | -62.7 | 175.4 | 0 | 0 | 0 | 112 | F396 F400 L633 K640 C641 F642 L676 L677 F680 | F396-L638 HydrophobicContact CE1-CB 4.47Å; F396-L638 HydrophobicContact CZ-CB 4.23Å; F400-L638 HydrophobicContact CE2-CD1 4.29Å; F400-L638 HydrophobicContact CZ-CD1 4.04Å; L633-L638 HydrophobicContact CD1-CD1 4.26Å; L633-L638 HydrophobicContact CD1-CG 4.12Å; L633-L638 HydrophobicContact CD2-CD1 4.43Å; L633-L638 HydrophobicContact CG-CD1 4Å; L633-L638 HydrophobicContact CG-CG 4.27Å; L633-L638 PolarHBondContact O-N 3.07Å; L638-K640 VanDerWaalsContact C-N 3.25Å; L638-K640 PolarHBondContact O-N 3.42Å; L638-C641 PolarHBondContact O-N 2.85Å; L638-F642 PolarHBondContact O-N 3.25Å; L638-L676 HydrophobicContact CD2-CD2 4.47Å; L638-L677 HydrophobicContact CD2-CD2 3.61Å; L638-F680 HydrophobicContact CD1-CE2 3.94Å |
| 639 | G | 85.6 | Confident | 79.2 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.6 | -37.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y393 C634 S635 I637 S643 | Y393-G639 WeakPolarHBondContact CE1-O 3.18Å; Y393-G639 PolarHBondContact OH-O 2.96Å; Y393-G639 VanDerWaalsContact OH-O 3.1Å; C634-G639 WeakPolarHBondContact O-CA 3.43Å; C634-G639 PolarHBondContact O-N 2.7Å; S635-G639 WeakPolarHBondContact O-CA 3.45Å; I637-G639 PolarHBondContact O-N 2.77Å; G639-S643 WeakPolarHBondContact O-CB 3.43Å; G639-S643 PolarHBondContact O-N 2.99Å |
| 640 | K | 81.2 | Confident | 78 | Confident | 116 Ų | 116 | 43 Ų | 43 | 50% | 0.504 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -76.6 | -44.3 | 174 | -67.5 | -173.9 | -169 | 172.4 | 0 | 112.3 | G636 I637 L638 F642 S643 F646 | G636-K640 WeakPolarHBondContact O-CD 3.33Å; G636-K640 WeakPolarHBondContact O-CE 3.43Å; G636-K640 WeakPolarHBondContact O-CG 3.29Å; I637-K640 PolarHBondContact O-N 3.21Å; L638-K640 VanDerWaalsContact C-N 3.25Å; L638-K640 PolarHBondContact O-N 3.42Å; K640-F642 PolarHBondContact O-N 3.05Å; K640-S643 WeakPolarHBondContact O-CB 3.44Å; K640-S643 PolarHBondContact O-N 3.08Å; K640-S643 VanDerWaalsContact O-N 3.14Å; K640-S643 PolarHBondContact O-OG 3.4Å; K640-F646 WeakPolarHBondContact O-CB 3.44Å |
| 641 | C | 79.6 | Confident | 76.9 | Confident | 7 Ų | 7 | 48.6 Ų | 48.6 | 5% | 0.047 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.6 | -28.4 | -179.5 | -70.1 | 0 | 0 | 0 | 0 | 113.8 | I637 L638 F646 | I637-C641 WeakPolarHBondContact O-CB 3.39Å; I637-C641 PolarHBondContact O-N 3.31Å; I637-C641 PolarHBondContact O-SG 3.15Å; L638-C641 PolarHBondContact O-N 2.85Å; C641-F646 WeakPolarHBondContact O-CD1 3.43Å |
| 642 | F | 80.8 | Confident | 75.7 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 0% | 0.004 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | 13.6 | 178.2 | -70.3 | -86.6 | 0 | 0 | 0 | 113.1 | S392 Y393 F396 L638 K640 L682 M781 R783 L784 | S392-F642 WeakPolarHBondContact CB-O 3.32Å; S392-F642 PolarHBondContact OG-O 2.9Å; Y393-F642 HydrophobicContact CD1-CB 3.6Å; Y393-F642 HydrophobicContact CE1-CB 3.59Å; Y393-F642 WeakPolarHBondContact CE1-O 3.44Å; F396-F642 HydrophobicContact CD1-CD2 4.23Å; F396-F642 HydrophobicContact CD1-CE2 4.4Å; F396-F642 HydrophobicContact CE1-CB 4.35Å; F396-F642 AromaticContact CE1-CD2 3.9Å; F396-F642 HydrophobicContact CE1-CD2 3.9Å; F396-F642 HydrophobicContact CE1-CG 4.19Å; L638-F642 PolarHBondContact O-N 3.25Å; K640-F642 PolarHBondContact O-N 3.05Å; F642-L682 HydrophobicContact CE2-CD1 4.15Å; F642-L682 HydrophobicContact CZ-CB 4.39Å; F642-L682 HydrophobicContact CZ-CD1 4.07Å; F642-M781 HydrophobicContact CZ-SD 4.35Å; F642-R783 HydrophobicContact CE1-CB 4.3Å; F642-R783 HydrophobicContact CE1-CG 4.48Å; F642-L784 HydrophobicContact CD1-CD2 3.9Å; F642-L784 HydrophobicContact CD1-CG 4.49Å; F642-L784 HydrophobicContact CE1-CD2 4.28Å; F642-L784 HydrophobicContact CE1-CG 4.4Å |
| 643 | S | 79.4 | Confident | 74.6 | Confident | 9 Ų | 9 | 49.8 Ų | 49.8 | 6% | 0.063 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -72.6 | 153.3 | 174.9 | 69.7 | 0 | 0 | 0 | 0 | 112 | Y393 G639 K640 R645 F646 L647 | Y393-S643 WeakPolarHBondContact OH-CA 3.34Å; G639-S643 WeakPolarHBondContact O-CB 3.43Å; G639-S643 PolarHBondContact O-N 2.99Å; K640-S643 WeakPolarHBondContact O-CB 3.44Å; K640-S643 PolarHBondContact O-N 3.08Å; K640-S643 VanDerWaalsContact O-N 3.14Å; K640-S643 PolarHBondContact O-OG 3.4Å; S643-R645 VanDerWaalsContact C-N 3.31Å; S643-R645 PolarHBondContact O-N 2.99Å; S643-F646 PolarHBondContact O-N 2.75Å; S643-F646 VanDerWaalsContact O-N 3.11Å; S643-F646 PolarHBondContact OG-N 2.92Å; S643-L647 PolarHBondContact O-N 3.45Å |
| 644 | E | 68.4 | Low | 73.5 | Confident | 45 Ų | 45 | 49.8 Ų | 49.8 | 21% | 0.21 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.3 | -39.4 | 175.5 | -169.6 | 179.9 | 171.6 | 0 | 0 | 113.1 | A365 F390 F646 L647 H648 | A365-E644 WeakPolarHBondContact CB-OE2 3.42Å; F390-E644 HydrophobicContact CZ-CB 4.48Å; E644-F646 PolarHBondContact O-N 3.44Å; E644-L647 VanDerWaalsContact O-CB 3.3Å; E644-L647 WeakPolarHBondContact O-CB 3.21Å; E644-L647 PolarHBondContact O-N 2.96Å; E644-L647 VanDerWaalsContact O-N 3.1Å; E644-H648 PolarHBondContact O-CD2 3.18Å; E644-H648 PolarHBondContact O-N 3.36Å |
| 645 | R | 69.1 | Low | 72.7 | Confident | 153 Ų | 153 | 50 Ų | 50 | 58% | 0.577 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -58.1 | -36.1 | 175 | -73.5 | -176.7 | 174.6 | 179.6 | -6.2 | 112.5 | E368 S643 | E368-R645 IonicContact OE1-CZ 3.61Å; E368-R645 IonicContact OE1-NH2 2.74Å; E368-R645 PolarHBondContact OE1-NH2 2.96Å; S643-R645 VanDerWaalsContact C-N 3.31Å; S643-R645 PolarHBondContact O-N 2.99Å |
| 646 | F | 68.6 | Low | 72.1 | Confident | 18 Ų | 18 | 48.9 Ų | 48.9 | 8% | 0.079 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -75.8 | -39.3 | 177.4 | -170.5 | -113 | 0 | 0 | 0 | 111.7 | K640 C641 S643 E644 H648 R649 T650 F656 F664 L784 | K640-F646 WeakPolarHBondContact O-CB 3.44Å; C641-F646 WeakPolarHBondContact O-CD1 3.43Å; S643-F646 PolarHBondContact O-N 2.75Å; S643-F646 VanDerWaalsContact O-N 3.11Å; S643-F646 PolarHBondContact OG-N 2.92Å; E644-F646 PolarHBondContact O-N 3.44Å; F646-H648 PolarHBondContact O-N 3.32Å; F646-R649 WeakPolarHBondContact O-CA 3.32Å; F646-R649 WeakPolarHBondContact O-CB 3.48Å; F646-R649 PolarHBondContact O-N 3.44Å; F646-T650 HydrophobicContact CD1-CG2 4.15Å; F646-T650 HydrophobicContact CE1-CG2 4.26Å; F646-T650 VanDerWaalsContact O-CG2 3.26Å; F646-T650 WeakPolarHBondContact O-CG2 3.39Å; F646-T650 PolarHBondContact O-N 3.26Å; F646-F656 HydrophobicContact CD1-CE1 4.22Å; F646-F656 HydrophobicContact CD1-CZ 4.22Å; F646-F656 HydrophobicContact CE1-CD1 4.12Å; F646-F656 AromaticContact CE1-CE1 3.16Å; F646-F656 HydrophobicContact CE1-CE1 3.16Å; F646-F656 HydrophobicContact CE1-CE2 4.37Å; F646-F656 AromaticContact CE1-CZ 3.31Å; F646-F656 HydrophobicContact CE1-CZ 3.31Å; F646-F656 HydrophobicContact CE2-CE1 4.11Å; F646-F656 AromaticContact CZ-CD1 3.72Å; F646-F656 HydrophobicContact CZ-CD1 3.72Å; F646-F656 AromaticContact CZ-CE1 3.1Å; F646-F656 HydrophobicContact CZ-CE1 3.1Å; F646-F656 AromaticContact CZ-CZ 3.79Å; F646-F656 HydrophobicContact CZ-CZ 3.79Å; F646-F664 HydrophobicContact CD2-CE1 4.25Å; F646-F664 AromaticContact CD2-CE2 3.93Å; F646-F664 HydrophobicContact CD2-CE2 3.93Å; F646-F664 AromaticContact CD2-CZ 3.35Å; F646-F664 HydrophobicContact CD2-CZ 3.35Å; F646-F664 HydrophobicContact CE2-CD2 4.47Å; F646-F664 HydrophobicContact CE2-CE1 4.35Å; F646-F664 AromaticContact CE2-CE2 3.22Å; F646-F664 HydrophobicContact CE2-CE2 3.22Å; F646-F664 AromaticContact CE2-CZ 3.15Å; F646-F664 HydrophobicContact CE2-CZ 3.15Å; F646-F664 HydrophobicContact CG-CZ 4.4Å; F646-F664 AromaticContact CZ-CE2 3.71Å; F646-F664 HydrophobicContact CZ-CE2 3.71Å; F646-F664 HydrophobicContact CZ-CZ 4.02Å; F646-L784 HydrophobicContact CD1-CD1 4.34Å; F646-L784 HydrophobicContact CE1-CD1 4.3Å |
| 647 | L | 64.2 | Low | 71.6 | Confident | 33 Ų | 33 | 48.8 Ų | 48.8 | 17% | 0.173 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -49.3 | -43 | 173.3 | -83.9 | 159 | 0 | 0 | 0 | 111.9 | S643 E644 R649 T650 L784 Q786 | S643-L647 PolarHBondContact O-N 3.45Å; E644-L647 VanDerWaalsContact O-CB 3.3Å; E644-L647 WeakPolarHBondContact O-CB 3.21Å; E644-L647 PolarHBondContact O-N 2.96Å; E644-L647 VanDerWaalsContact O-N 3.1Å; L647-R649 VanDerWaalsContact C-N 3.25Å; L647-R649 PolarHBondContact O-N 3.25Å; L647-T650 PolarHBondContact O-N 3.09Å; L647-T650 VanDerWaalsContact O-N 3.16Å; L647-T650 PolarHBondContact O-OG1 3.46Å; L647-L784 HydrophobicContact CD2-CB 4.04Å; L647-L784 HydrophobicContact CD2-CD2 3.39Å; L647-L784 HydrophobicContact CD2-CG 4.29Å; L647-L784 HydrophobicContact CG-CD2 3.88Å; L647-Q786 PolarHBondContact O-NE2 2.88Å |
| 648 | H | 63.2 | Low | 71 | Confident | 140 Ų | 140 | 49.2 Ų | 49.2 | 65% | 0.648 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -19.6 | 177.3 | -70.5 | -64.4 | 0 | 0 | 0 | 115.3 | E644 F646 | E644-H648 PolarHBondContact O-CD2 3.18Å; E644-H648 PolarHBondContact O-N 3.36Å; F646-H648 PolarHBondContact O-N 3.32Å |
| 649 | R | 62.4 | Low | 70.3 | Confident | 198 Ų | 198 | 53.1 Ų | 53.1 | 75% | 0.747 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -13.5 | 175.3 | -65.3 | -174.2 | 179.1 | -171.3 | -1.1 | 112.9 | F646 L647 | F646-R649 WeakPolarHBondContact O-CA 3.32Å; F646-R649 WeakPolarHBondContact O-CB 3.48Å; F646-R649 PolarHBondContact O-N 3.44Å; L647-R649 VanDerWaalsContact C-N 3.25Å; L647-R649 PolarHBondContact O-N 3.25Å |
| 650 | T | 62.6 | Low | 69.8 | Low | 14 Ų | 14 | 55.7 Ų | 55.7 | 9% | 0.086 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -70.8 | 145.5 | -177.4 | 68 | 0 | 0 | 0 | 0 | 111.2 | F646 L647 F656 L784 | F646-T650 HydrophobicContact CD1-CG2 4.15Å; F646-T650 HydrophobicContact CE1-CG2 4.26Å; F646-T650 VanDerWaalsContact O-CG2 3.26Å; F646-T650 WeakPolarHBondContact O-CG2 3.39Å; F646-T650 PolarHBondContact O-N 3.26Å; L647-T650 PolarHBondContact O-N 3.09Å; L647-T650 VanDerWaalsContact O-N 3.16Å; L647-T650 PolarHBondContact O-OG1 3.46Å; T650-F656 HydrophobicContact CG2-CE1 3.59Å; T650-F656 HydrophobicContact CG2-CZ 3.35Å; T650-L784 HydrophobicContact CG2-CB 4.4Å; T650-L784 HydrophobicContact CG2-CD1 4.29Å |
| 651 | R | 65.8 | Low | 69.4 | Low | 118 Ų | 118 | 50.6 Ų | 50.6 | 45% | 0.445 | 23% | 0.231 | S | C | . | . | trans | -60.1 | 148.4 | 165 | -65.5 | -179.9 | -179.7 | 175.2 | 1.8 | 108.4 | T653 G654 | R651-T653 PolarHBondContact O-N 3.11Å; R651-G654 PolarHBondContact O-N 3.16Å | ||
| 652 | I | 62 | Low | 69.2 | Low | 80 Ų | 80 | 52.8 Ų | 52.8 | 41% | 0.41 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -31.4 | -179.5 | -57.4 | 168.3 | 0 | 0 | 0 | 111.7 | G654 N785 Q786 I787 | I652-G654 VanDerWaalsContact C-N 3.28Å; I652-G654 PolarHBondContact O-N 2.74Å; I652-N785 PolarHBondContact O-OD1 2.88Å; I652-Q786 PolarHBondContact O-N 3.48Å; I652-I787 HydrophobicContact CG2-CG1 3.87Å |
| 653 | T | 61.5 | Low | 68.7 | Low | 48 Ų | 48 | 58.8 Ų | 58.8 | 29% | 0.294 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -11.3 | 176.9 | 48.2 | 0 | 0 | 0 | 0 | 115.1 | R651 S655 I787 | R651-T653 PolarHBondContact O-N 3.11Å; T653-S655 VanDerWaalsContact C-N 3.3Å; T653-S655 PolarHBondContact OG1-OG 2.88Å; T653-I787 HydrophobicContact CG2-CD1 4.34Å |
| 654 | G | 65.4 | Low | 68.1 | Low | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | trans | 70.8 | 23.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | R651 I652 M781 | R651-G654 PolarHBondContact O-N 3.16Å; I652-G654 VanDerWaalsContact C-N 3.28Å; I652-G654 PolarHBondContact O-N 2.74Å; G654-M781 PolarHBondContact O-N 3.03Å | ||
| 655 | S | 69.7 | Low | 68.3 | Low | 4 Ų | 4 | 60.1 Ų | 60.1 | 3% | 0.028 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 141.5 | 177.6 | 59.2 | 0 | 0 | 0 | 0 | 112.6 | T653 I779 | T653-S655 VanDerWaalsContact C-N 3.3Å; T653-S655 PolarHBondContact OG1-OG 2.88Å; S655-I779 CarbonylContact C-O 3.59Å; S655-I779 WeakPolarHBondContact CA-O 3.36Å |
| 656 | F | 73.4 | Confident | 68.4 | Low | 4 Ų | 4 | 58.6 Ų | 58.6 | 2% | 0.018 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 147.6 | 179.9 | -60.2 | -82.3 | 0 | 0 | 0 | 110.4 | F646 T650 D660 I661 Q778 I779 M781 L784 | F646-F656 HydrophobicContact CD1-CE1 4.22Å; F646-F656 HydrophobicContact CD1-CZ 4.22Å; F646-F656 HydrophobicContact CE1-CD1 4.12Å; F646-F656 AromaticContact CE1-CE1 3.16Å; F646-F656 HydrophobicContact CE1-CE1 3.16Å; F646-F656 HydrophobicContact CE1-CE2 4.37Å; F646-F656 AromaticContact CE1-CZ 3.31Å; F646-F656 HydrophobicContact CE1-CZ 3.31Å; F646-F656 HydrophobicContact CE2-CE1 4.11Å; F646-F656 AromaticContact CZ-CD1 3.72Å; F646-F656 HydrophobicContact CZ-CD1 3.72Å; F646-F656 AromaticContact CZ-CE1 3.1Å; F646-F656 HydrophobicContact CZ-CE1 3.1Å; F646-F656 AromaticContact CZ-CZ 3.79Å; F646-F656 HydrophobicContact CZ-CZ 3.79Å; T650-F656 HydrophobicContact CG2-CE1 3.59Å; T650-F656 HydrophobicContact CG2-CZ 3.35Å; F656-D660 HydrophobicContact CB-CB 4.27Å; F656-D660 HydrophobicContact CD1-CB 4.11Å; F656-I661 HydrophobicContact CB-CG1 4.37Å; F656-Q778 CarbonylContact O-C 3.59Å; F656-Q778 WeakPolarHBondContact O-CA 3.44Å; F656-I779 HydrophobicContact CB-CB 4.31Å; F656-I779 PolarHBondContact N-O 2.75Å; F656-I779 PolarHBondContact O-N 2.94Å; F656-M781 HydrophobicContact CD2-CE 4.32Å; F656-M781 HydrophobicContact CD2-CG 4.02Å; F656-M781 HydrophobicContact CD2-SD 4.27Å; F656-M781 HydrophobicContact CE2-CB 3.98Å; F656-M781 HydrophobicContact CE2-CE 4.44Å; F656-M781 HydrophobicContact CE2-CG 3.81Å; F656-M781 HydrophobicContact CE2-SD 3.86Å; F656-L784 HydrophobicContact CE2-CD1 3.75Å; F656-L784 HydrophobicContact CZ-CD1 3.55Å |
| 657 | T | 71.3 | Confident | 68.5 | Low | 22 Ų | 22 | 63.7 Ų | 63.7 | 14% | 0.135 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 164.3 | 161.9 | 61.2 | 0 | 0 | 0 | 0 | 110 | D659 D660 I661 | T657-D659 PolarHBondContact O-N 3.09Å; T657-D660 PolarHBondContact N-OD2 3.09Å; T657-D660 PolarHBondContact O-N 2.89Å; T657-D660 PolarHBondContact OG1-N 2.81Å; T657-D660 PolarHBondContact OG1-OD2 2.91Å; T657-I661 PolarHBondContact O-N 3.1Å |
| 658 | L | 71.4 | Confident | 68.9 | Low | 23 Ų | 23 | 69.9 Ų | 69.9 | 12% | 0.12 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.9 | -36.4 | 173.3 | -129.2 | 139.5 | 0 | 0 | 0 | 110.8 | D660 I661 Q662 T670 I777 I779 | L658-D660 PolarHBondContact O-N 3.25Å; L658-I661 PolarHBondContact O-N 3.42Å; L658-Q662 WeakPolarHBondContact O-CG 3.36Å; L658-Q662 PolarHBondContact O-N 2.91Å; L658-T670 HydrophobicContact CD2-CG2 3.69Å; L658-T670 HydrophobicContact CG-CG2 4.46Å; L658-I777 HydrophobicContact CD1-CB 4.08Å; L658-I777 HydrophobicContact CD1-CD1 3.85Å; L658-I777 HydrophobicContact CD1-CG2 4.03Å; L658-I779 HydrophobicContact CG-CD1 4.45Å |
| 659 | D | 71.5 | Confident | 69.6 | Low | 83 Ų | 83 | 64.2 Ų | 64.2 | 44% | 0.444 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.1 | -38.7 | 177.1 | -59.2 | -16.2 | 0 | 0 | 0 | 112.2 | T657 I661 Q662 L663 | T657-D659 PolarHBondContact O-N 3.09Å; D659-I661 PolarHBondContact O-N 3.29Å; D659-Q662 PolarHBondContact O-N 3.37Å; D659-L663 PolarHBondContact O-N 2.85Å |
| 660 | D | 73.7 | Confident | 70.3 | Confident | 54 Ų | 54 | 54.9 Ų | 54.9 | 29% | 0.289 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.4 | -35 | 176.6 | -64.1 | -47.1 | 0 | 0 | 0 | 111.7 | F656 T657 L658 L663 F664 | F656-D660 HydrophobicContact CB-CB 4.27Å; F656-D660 HydrophobicContact CD1-CB 4.11Å; T657-D660 PolarHBondContact N-OD2 3.09Å; T657-D660 PolarHBondContact O-N 2.89Å; T657-D660 PolarHBondContact OG1-N 2.81Å; T657-D660 PolarHBondContact OG1-OD2 2.91Å; L658-D660 PolarHBondContact O-N 3.25Å; D660-L663 WeakPolarHBondContact O-CB 3.43Å; D660-F664 WeakPolarHBondContact O-CD2 3.32Å; D660-F664 VanDerWaalsContact O-CE2 3.26Å; D660-F664 WeakPolarHBondContact O-CE2 3.36Å |
| 661 | I | 73.6 | Confident | 70.9 | Confident | 8 Ų | 8 | 59.3 Ų | 59.3 | 4% | 0.041 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -78.6 | -34.9 | 177.6 | -60.8 | -173.1 | 0 | 0 | 0 | 111.3 | F656 T657 L658 D659 L663 F664 V665 T670 L673 L674 I779 M781 | F656-I661 HydrophobicContact CB-CG1 4.37Å; T657-I661 PolarHBondContact O-N 3.1Å; L658-I661 PolarHBondContact O-N 3.42Å; D659-I661 PolarHBondContact O-N 3.29Å; I661-L663 PolarHBondContact O-N 3.34Å; I661-L663 VanDerWaalsContact O-N 3.12Å; I661-F664 PolarHBondContact O-N 3Å; I661-V665 PolarHBondContact O-N 3.44Å; I661-T670 HydrophobicContact CB-CG2 4.43Å; I661-T670 HydrophobicContact CG2-CG2 3.97Å; I661-L673 HydrophobicContact CG2-CD2 3.85Å; I661-L674 HydrophobicContact CD1-CD2 3.76Å; I661-I779 HydrophobicContact CD1-CB 4.35Å; I661-I779 HydrophobicContact CD1-CD1 3.38Å; I661-I779 HydrophobicContact CD1-CG1 4.41Å; I661-I779 HydrophobicContact CD1-CG2 4.13Å; I661-I779 HydrophobicContact CG1-CD1 4.33Å; I661-M781 HydrophobicContact CD1-CE 4.45Å |
| 662 | Q | 74.6 | Confident | 71.5 | Confident | 54 Ų | 54 | 55.5 Ų | 55.5 | 25% | 0.252 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.3 | -16.5 | 176.3 | -72.8 | 178.6 | 4.3 | 0 | 0 | 113.2 | L658 D659 F664 V665 | L658-Q662 WeakPolarHBondContact O-CG 3.36Å; L658-Q662 PolarHBondContact O-N 2.91Å; D659-Q662 PolarHBondContact O-N 3.37Å; Q662-F664 PolarHBondContact O-N 3.3Å; Q662-V665 CarbonylContact C-O 3.58Å; Q662-V665 VanDerWaalsContact CA-O 3.29Å; Q662-V665 WeakPolarHBondContact CA-O 3.44Å |
| 663 | L | 70.5 | Confident | 72.4 | Confident | 127 Ų | 127 | 51.7 Ų | 51.7 | 67% | 0.665 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -23.2 | 169.9 | -67.9 | 170.7 | 0 | 0 | 0 | 113.4 | D659 D660 I661 | D659-L663 PolarHBondContact O-N 2.85Å; D660-L663 WeakPolarHBondContact O-CB 3.43Å; I661-L663 PolarHBondContact O-N 3.34Å; I661-L663 VanDerWaalsContact O-N 3.12Å |
| 664 | F | 66.2 | Low | 73.2 | Confident | 70 Ų | 70 | 49.7 Ų | 49.7 | 31% | 0.307 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | -25 | -177.4 | -57.6 | -78.6 | 0 | 0 | 0 | 113.3 | F646 D660 I661 Q662 | F646-F664 HydrophobicContact CD2-CE1 4.25Å; F646-F664 AromaticContact CD2-CE2 3.93Å; F646-F664 HydrophobicContact CD2-CE2 3.93Å; F646-F664 AromaticContact CD2-CZ 3.35Å; F646-F664 HydrophobicContact CD2-CZ 3.35Å; F646-F664 HydrophobicContact CE2-CD2 4.47Å; F646-F664 HydrophobicContact CE2-CE1 4.35Å; F646-F664 AromaticContact CE2-CE2 3.22Å; F646-F664 HydrophobicContact CE2-CE2 3.22Å; F646-F664 AromaticContact CE2-CZ 3.15Å; F646-F664 HydrophobicContact CE2-CZ 3.15Å; F646-F664 HydrophobicContact CG-CZ 4.4Å; F646-F664 AromaticContact CZ-CE2 3.71Å; F646-F664 HydrophobicContact CZ-CE2 3.71Å; F646-F664 HydrophobicContact CZ-CZ 4.02Å; D660-F664 WeakPolarHBondContact O-CD2 3.32Å; D660-F664 VanDerWaalsContact O-CE2 3.26Å; D660-F664 WeakPolarHBondContact O-CE2 3.36Å; I661-F664 PolarHBondContact O-N 3Å; Q662-F664 PolarHBondContact O-N 3.3Å |
| 665 | V | 73 | Confident | 73.9 | Confident | 11 Ų | 11 | 52.2 Ų | 52.2 | 7% | 0.067 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -145.1 | 142.6 | -166.4 | 175 | 0 | 0 | 0 | 0 | 109 | F554 I661 Q662 D669 L673 | F554-V665 HydrophobicContact CD2-CG1 3.94Å; F554-V665 HydrophobicContact CD2-CG2 4.48Å; F554-V665 HydrophobicContact CE2-CB 4.44Å; F554-V665 HydrophobicContact CE2-CG1 3.6Å; F554-V665 HydrophobicContact CE2-CG2 3.87Å; F554-V665 HydrophobicContact CZ-CG1 4.22Å; I661-V665 PolarHBondContact O-N 3.44Å; Q662-V665 CarbonylContact C-O 3.58Å; Q662-V665 VanDerWaalsContact CA-O 3.29Å; Q662-V665 WeakPolarHBondContact CA-O 3.44Å; V665-D669 HydrophobicContact CG1-CB 3.21Å; V665-L673 HydrophobicContact CB-CD2 4.41Å; V665-L673 HydrophobicContact CG2-CD2 3.78Å |
| 666 | R | 72.8 | Confident | 74.6 | Confident | 121 Ų | 121 | 52 Ų | 52 | 46% | 0.457 | 25% | 0.249 | S | C | . | . | trans | -63.2 | 150.8 | 179 | -66.6 | 173.7 | -66.5 | 169.4 | 11 | 110 | V553 Q668 D669 T670 | V553-R666 VanDerWaalsContact CB-CZ 3.46Å; V553-R666 VanDerWaalsContact CB-NH2 3.31Å; R666-Q668 PolarHBondContact O-N 3.39Å; R666-Q668 VanDerWaalsContact O-N 3.09Å; R666-D669 IonicContact CZ-OD2 3.69Å; R666-D669 IonicContact NE-OD2 3.3Å; R666-D669 PolarHBondContact NE-OD2 3.28Å; R666-D669 VanDerWaalsContact NE-OD2 3.1Å; R666-D669 IonicContact NH2-OD1 2.68Å; R666-D669 IonicContact NH2-OD2 3.77Å; R666-D669 PolarHBondContact NH2-OD2 3Å; R666-D669 WeakPolarHBondContact O-CA 3.46Å; R666-D669 WeakPolarHBondContact O-CB 3.28Å; R666-D669 PolarHBondContact O-N 2.95Å; R666-T670 PolarHBondContact O-N 3.17Å; R666-T670 PolarHBondContact O-OG1 2.81Å | ||
| 667 | E | 69.9 | Low | 75 | Confident | 125 Ų | 125 | 51.9 Ų | 51.9 | 58% | 0.584 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -51.2 | -39.3 | -176.5 | -178.2 | 170.4 | -157.4 | 0 | 0 | 114.1 | D669 T670 | E667-D669 VanDerWaalsContact C-N 3.27Å; E667-D669 PolarHBondContact O-N 2.79Å; E667-T670 PolarHBondContact O-N 2.89Å |
| 668 | Q | 72.1 | Confident | 75.5 | Confident | 164 Ų | 164 | 52 Ų | 52 | 77% | 0.766 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -65.1 | -30 | 178.5 | -59.3 | 175.8 | 3.6 | 0 | 0 | 113 | R666 | R666-Q668 PolarHBondContact O-N 3.39Å; R666-Q668 VanDerWaalsContact O-N 3.09Å |
| 669 | D | 77.1 | Confident | 75.9 | Confident | 20 Ų | 20 | 51.2 Ų | 51.2 | 11% | 0.107 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -91.6 | -16.7 | -173.3 | -62.7 | -33.4 | 0 | 0 | 0 | 111.3 | F554 V665 R666 E667 Q671 I672 L673 | F554-D669 HydrophobicContact CB-CB 4.2Å; F554-D669 VanDerWaalsContact CB-CG 3.49Å; F554-D669 WeakPolarHBondContact CB-OD2 3.35Å; F554-D669 HydrophobicContact CD1-CB 3.78Å; F554-D669 HydrophobicContact CD2-CB 3.88Å; F554-D669 HydrophobicContact CE1-CB 4.04Å; F554-D669 HydrophobicContact CE2-CB 4.16Å; F554-D669 HydrophobicContact CG-CB 3.69Å; F554-D669 HydrophobicContact CZ-CB 4.23Å; V665-D669 HydrophobicContact CG1-CB 3.21Å; R666-D669 IonicContact CZ-OD2 3.69Å; R666-D669 IonicContact NE-OD2 3.3Å; R666-D669 PolarHBondContact NE-OD2 3.28Å; R666-D669 VanDerWaalsContact NE-OD2 3.1Å; R666-D669 IonicContact NH2-OD1 2.68Å; R666-D669 IonicContact NH2-OD2 3.77Å; R666-D669 PolarHBondContact NH2-OD2 3Å; R666-D669 WeakPolarHBondContact O-CA 3.46Å; R666-D669 WeakPolarHBondContact O-CB 3.28Å; R666-D669 PolarHBondContact O-N 2.95Å; E667-D669 VanDerWaalsContact C-N 3.27Å; E667-D669 PolarHBondContact O-N 2.79Å; D669-Q671 VanDerWaalsContact C-N 3.33Å; D669-Q671 PolarHBondContact O-N 3.37Å; D669-I672 PolarHBondContact O-N 3.16Å; D669-L673 PolarHBondContact O-N 3.49Å |
| 670 | T | 77.5 | Confident | 76.4 | Confident | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.012 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.4 | -38 | -176.1 | -55.6 | 0 | 0 | 0 | 0 | 113.1 | L658 I661 R666 E667 L673 L674 | L658-T670 HydrophobicContact CD2-CG2 3.69Å; L658-T670 HydrophobicContact CG-CG2 4.46Å; I661-T670 HydrophobicContact CB-CG2 4.43Å; I661-T670 HydrophobicContact CG2-CG2 3.97Å; R666-T670 PolarHBondContact O-N 3.17Å; R666-T670 PolarHBondContact O-OG1 2.81Å; E667-T670 PolarHBondContact O-N 2.89Å; T670-L673 PolarHBondContact O-N 3.37Å; T670-L674 HydrophobicContact CG2-CD1 4.01Å; T670-L674 HydrophobicContact CG2-CG 4.45Å; T670-L674 WeakPolarHBondContact O-CB 3.29Å; T670-L674 WeakPolarHBondContact O-CG 3.49Å; T670-L674 PolarHBondContact O-N 3.26Å |
| 671 | Q | 76.2 | Confident | 76.7 | Confident | 107 Ų | 107 | 45.5 Ų | 45.5 | 50% | 0.5 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.6 | -42.2 | 178.8 | -66.4 | -172.2 | -8.7 | 0 | 0 | 111.9 | D669 L674 K675 | D669-Q671 VanDerWaalsContact C-N 3.33Å; D669-Q671 PolarHBondContact O-N 3.37Å; Q671-L674 PolarHBondContact O-N 2.65Å; Q671-K675 WeakPolarHBondContact O-CB 3.41Å; Q671-K675 PolarHBondContact O-N 3.2Å |
| 672 | I | 77.6 | Confident | 77.2 | Confident | 38 Ų | 38 | 45.3 Ų | 45.3 | 20% | 0.195 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67 | -42.9 | 178.2 | -60.8 | 174.8 | 0 | 0 | 0 | 109.9 | F554 I556 L625 D669 L674 K675 L676 | F554-I672 HydrophobicContact CE1-CB 4.09Å; F554-I672 HydrophobicContact CE1-CG2 3.96Å; I556-I672 HydrophobicContact CB-CG2 3.95Å; I556-I672 HydrophobicContact CD1-CG2 4.5Å; I556-I672 HydrophobicContact CG2-CG2 3.56Å; L625-I672 HydrophobicContact CD2-CG2 4.11Å; D669-I672 PolarHBondContact O-N 3.16Å; I672-L674 VanDerWaalsContact C-N 3.32Å; I672-L674 PolarHBondContact O-N 3.01Å; I672-K675 PolarHBondContact O-N 2.89Å; I672-L676 PolarHBondContact O-N 2.87Å |
| 673 | L | 81.7 | Confident | 77.5 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.8 | -45.3 | 175.1 | 178.6 | 58 | 0 | 0 | 0 | 111.5 | F554 I637 I661 V665 D669 T670 L676 L677 | F554-L673 HydrophobicContact CZ-CB 3.99Å; I637-L673 HydrophobicContact CG2-CD1 3.65Å; I637-L673 HydrophobicContact CG2-CD2 4.14Å; I661-L673 HydrophobicContact CG2-CD2 3.85Å; V665-L673 HydrophobicContact CB-CD2 4.41Å; V665-L673 HydrophobicContact CG2-CD2 3.78Å; D669-L673 PolarHBondContact O-N 3.49Å; T670-L673 PolarHBondContact O-N 3.37Å; L673-L676 HydrophobicContact CD1-CD2 4.31Å; L673-L676 WeakPolarHBondContact O-CB 3.31Å; L673-L676 PolarHBondContact O-N 3.04Å; L673-L677 HydrophobicContact CD1-CD1 4.22Å; L673-L677 HydrophobicContact CD1-CG 4.14Å; L673-L677 HydrophobicContact CG-CD1 4.06Å; L673-L677 HydrophobicContact CG-CG 4.41Å; L673-L677 WeakPolarHBondContact O-CG 3.44Å; L673-L677 PolarHBondContact O-N 3.42Å |
| 674 | L | 79 | Confident | 77.7 | Confident | 6 Ų | 6 | 36.9 Ų | 36.9 | 3% | 0.031 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.9 | -42.7 | 179.9 | -75 | 168.4 | 0 | 0 | 0 | 111.9 | I661 T670 Q671 I672 L676 L677 E678 I764 I779 | I661-L674 HydrophobicContact CD1-CD2 3.76Å; T670-L674 HydrophobicContact CG2-CD1 4.01Å; T670-L674 HydrophobicContact CG2-CG 4.45Å; T670-L674 WeakPolarHBondContact O-CB 3.29Å; T670-L674 WeakPolarHBondContact O-CG 3.49Å; T670-L674 PolarHBondContact O-N 3.26Å; Q671-L674 PolarHBondContact O-N 2.65Å; I672-L674 VanDerWaalsContact C-N 3.32Å; I672-L674 PolarHBondContact O-N 3.01Å; L674-L676 VanDerWaalsContact C-N 3.25Å; L674-L676 PolarHBondContact O-N 3.04Å; L674-L677 PolarHBondContact O-N 2.98Å; L674-E678 WeakPolarHBondContact O-CB 3.48Å; L674-E678 PolarHBondContact O-N 2.92Å; L674-I764 HydrophobicContact CB-CD1 3.63Å; L674-I764 HydrophobicContact CD1-CD1 4.46Å; L674-I779 HydrophobicContact CD1-CD1 3.85Å; L674-I779 HydrophobicContact CD2-CD1 3.63Å; L674-I779 HydrophobicContact CD2-CG1 4.04Å; L674-I779 HydrophobicContact CD2-CG2 3.88Å; L674-I779 HydrophobicContact CG-CD1 4.36Å |
| 675 | K | 78.3 | Confident | 77.9 | Confident | 54 Ų | 54 | 33.8 Ų | 33.8 | 24% | 0.235 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.1 | -40 | 173.1 | -163.3 | -175.8 | -169.2 | -170.7 | 0 | 111.4 | D623 Q671 I672 S679 | D623-K675 VanDerWaalsContact CA-NZ 3.32Å; D623-K675 VanDerWaalsContact CG-NZ 3.3Å; D623-K675 PolarHBondContact O-NZ 3.12Å; D623-K675 IonicContact OD1-NZ 3.09Å; D623-K675 PolarHBondContact OD1-NZ 2.91Å; Q671-K675 WeakPolarHBondContact O-CB 3.41Å; Q671-K675 PolarHBondContact O-N 3.2Å; I672-K675 PolarHBondContact O-N 2.89Å; K675-S679 WeakPolarHBondContact O-CB 3.45Å; K675-S679 PolarHBondContact O-N 3.25Å |
| 676 | L | 84.2 | Confident | 77.5 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.2 | -51.8 | 175.2 | 176.8 | 135.8 | 0 | 0 | 0 | 111.8 | I556 I595 L625 I627 L633 L638 I672 L673 L674 E678 S679 F680 | I556-L676 HydrophobicContact CD1-CD1 3.75Å; I595-L676 HydrophobicContact CD1-CD1 3.58Å; I595-L676 HydrophobicContact CD1-CG 4.26Å; L625-L676 HydrophobicContact CD1-CB 3.94Å; I627-L676 HydrophobicContact CD1-CD1 4.06Å; I627-L676 HydrophobicContact CG1-CD1 4.3Å; L633-L676 HydrophobicContact CD1-CD1 4.15Å; L633-L676 HydrophobicContact CD1-CD2 4.01Å; L633-L676 HydrophobicContact CD2-CD1 4.08Å; L638-L676 HydrophobicContact CD2-CD2 4.47Å; I672-L676 PolarHBondContact O-N 2.87Å; L673-L676 HydrophobicContact CD1-CD2 4.31Å; L673-L676 WeakPolarHBondContact O-CB 3.31Å; L673-L676 PolarHBondContact O-N 3.04Å; L674-L676 VanDerWaalsContact C-N 3.25Å; L674-L676 PolarHBondContact O-N 3.04Å; L676-E678 PolarHBondContact O-N 3.33Å; L676-S679 PolarHBondContact O-N 3.27Å; L676-S679 VanDerWaalsContact O-N 3.12Å; L676-S679 PolarHBondContact O-OG 2.95Å; L676-F680 HydrophobicContact CD1-CE2 4.47Å; L676-F680 HydrophobicContact CD1-CZ 4.42Å; L676-F680 HydrophobicContact CD2-CD2 3.94Å; L676-F680 HydrophobicContact CD2-CE2 3.58Å; L676-F680 HydrophobicContact CD2-CZ 4.3Å; L676-F680 HydrophobicContact CG-CD2 4.41Å; L676-F680 HydrophobicContact CG-CE2 4.03Å; L676-F680 HydrophobicContact CG-CZ 4.3Å; L676-F680 PolarHBondContact O-N 3.36Å |
| 677 | L | 83.8 | Confident | 76.8 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62 | -34.7 | 179.1 | -68.8 | 173 | 0 | 0 | 0 | 112 | L638 L673 L674 F680 G681 L682 C683 M781 | L638-L677 HydrophobicContact CD2-CD2 3.61Å; L673-L677 HydrophobicContact CD1-CD1 4.22Å; L673-L677 HydrophobicContact CD1-CG 4.14Å; L673-L677 HydrophobicContact CG-CD1 4.06Å; L673-L677 HydrophobicContact CG-CG 4.41Å; L673-L677 WeakPolarHBondContact O-CG 3.44Å; L673-L677 PolarHBondContact O-N 3.42Å; L674-L677 PolarHBondContact O-N 2.98Å; L677-F680 PolarHBondContact O-N 3.25Å; L677-G681 PolarHBondContact O-N 3.42Å; L677-L682 HydrophobicContact CD2-CD1 4.35Å; L677-L682 PolarHBondContact O-N 3.48Å; L677-C683 HydrophobicContact CB-CB 4.38Å; L677-C683 WeakPolarHBondContact CB-SG 3.23Å; L677-M781 HydrophobicContact CD1-CE 3.69Å |
| 678 | E | 80.2 | Confident | 76 | Confident | 23 Ų | 23 | 22.9 Ų | 22.9 | 11% | 0.107 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -68.3 | -40.6 | 175.3 | -174.8 | 169.9 | -164.5 | 0 | 0 | 111.7 | L674 L676 F680 G681 R831 | L674-E678 WeakPolarHBondContact O-CB 3.48Å; L674-E678 PolarHBondContact O-N 2.92Å; L676-E678 PolarHBondContact O-N 3.33Å; E678-F680 VanDerWaalsContact C-N 3.28Å; E678-F680 PolarHBondContact O-N 2.95Å; E678-G681 PolarHBondContact O-N 3.42Å; E678-R831 VanDerWaalsContact CD-NH2 3.27Å; E678-R831 IonicContact OE1-CZ 2.66Å; E678-R831 IonicContact OE1-NE 3.56Å; E678-R831 IonicContact OE1-NH2 2.87Å; E678-R831 PolarHBondContact OE1-NH2 3.11Å |
| 679 | S | 79.5 | Confident | 74.7 | Confident | 7 Ų | 7 | 21.5 Ų | 21.5 | 5% | 0.049 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.1 | -33.7 | 175.1 | 76.4 | 0 | 0 | 0 | 0 | 112.4 | I595 K675 L676 G681 | I595-S679 WeakPolarHBondContact CG2-OG 3.35Å; K675-S679 WeakPolarHBondContact O-CB 3.45Å; K675-S679 PolarHBondContact O-N 3.25Å; L676-S679 PolarHBondContact O-N 3.27Å; L676-S679 VanDerWaalsContact O-N 3.12Å; L676-S679 PolarHBondContact O-OG 2.95Å; S679-G681 PolarHBondContact O-N 3.28Å |
| 680 | F | 83.5 | Confident | 72.8 | Confident | 4 Ų | 4 | 25.6 Ų | 25.6 | 2% | 0.018 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -11.5 | 172.1 | -68.4 | -21 | 0 | 0 | 0 | 113.8 | H399 F400 I595 L638 L676 L677 E678 L682 R824 | H399-F680 HydrophobicContact CB-CD1 4.38Å; H399-F680 HydrophobicContact CB-CE1 3.98Å; H399-F680 HydrophobicContact CB-CZ 4.48Å; H399-F680 AromaticContact CD2-CD1 3.42Å; H399-F680 VanDerWaalsContact CD2-CD1 3.42Å; H399-F680 WeakPolarHBondContact CD2-CD1 3.39Å; H399-F680 AromaticContact CD2-CE1 3.9Å; H399-F680 AromaticContact CD2-CG 3.76Å; H399-F680 AromaticContact CE1-CD1 3.6Å; H399-F680 AromaticContact CG-CD1 3.59Å; H399-F680 AromaticContact CG-CE1 3.66Å; H399-F680 AromaticContact ND1-CD1 3.7Å; H399-F680 AromaticContact ND1-CE1 3.94Å; H399-F680 WeakPolarHBondContact NE2-CA 3.5Å; H399-F680 AromaticContact NE2-CD1 3.42Å; H399-F680 WeakPolarHBondContact NE2-CD1 3.27Å; H399-F680 AromaticContact NE2-CG 3.77Å; H399-F680 PolarHBondContact NE2-O 2.62Å; F400-F680 HydrophobicContact CE2-CZ 4.5Å; F400-F680 HydrophobicContact CZ-CE2 4.3Å; F400-F680 AromaticContact CZ-CZ 3.98Å; F400-F680 HydrophobicContact CZ-CZ 3.98Å; I595-F680 HydrophobicContact CD1-CE1 3.41Å; I595-F680 VanDerWaalsContact CD1-CE1 3.41Å; I595-F680 HydrophobicContact CD1-CZ 3.41Å; I595-F680 VanDerWaalsContact CD1-CZ 3.41Å; I595-F680 HydrophobicContact CG1-CE1 4.06Å; I595-F680 HydrophobicContact CG1-CZ 4.44Å; I595-F680 HydrophobicContact CG2-CE1 4.28Å; L638-F680 HydrophobicContact CD1-CE2 3.94Å; L676-F680 HydrophobicContact CD1-CE2 4.47Å; L676-F680 HydrophobicContact CD1-CZ 4.42Å; L676-F680 HydrophobicContact CD2-CD2 3.94Å; L676-F680 HydrophobicContact CD2-CE2 3.58Å; L676-F680 HydrophobicContact CD2-CZ 4.3Å; L676-F680 HydrophobicContact CG-CD2 4.41Å; L676-F680 HydrophobicContact CG-CE2 4.03Å; L676-F680 HydrophobicContact CG-CZ 4.3Å; L676-F680 PolarHBondContact O-N 3.36Å; L677-F680 PolarHBondContact O-N 3.25Å; E678-F680 VanDerWaalsContact C-N 3.28Å; E678-F680 PolarHBondContact O-N 2.95Å; F680-L682 VanDerWaalsContact C-N 3.32Å; F680-L682 HydrophobicContact CB-CD1 3.79Å; F680-L682 HydrophobicContact CB-CG 3.76Å; F680-L682 HydrophobicContact CD2-CD1 4.04Å; F680-L682 HydrophobicContact CG-CD1 4.41Å; F680-R824 PolarHBondContact O-NE 3.34Å |
| 681 | G | 80.4 | Confident | 70.5 | Confident | 13 Ų | 13 | 33 Ų | 33 | 13% | 0.134 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | 28.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L677 E678 S679 V827 | L677-G681 PolarHBondContact O-N 3.42Å; E678-G681 PolarHBondContact O-N 3.42Å; S679-G681 PolarHBondContact O-N 3.28Å; G681-V827 WeakPolarHBondContact O-CG2 2.94Å |
| 682 | L | 83.2 | Confident | 68.1 | Low | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | trans | -96.7 | -24.6 | -177.3 | -61.7 | 174.3 | 0 | 0 | 0 | 113.3 | C395 F396 F642 L677 F680 | C395-L682 HydrophobicContact CB-CD2 4.18Å; F396-L682 HydrophobicContact CB-CD1 3.92Å; F396-L682 HydrophobicContact CB-CD2 4.49Å; F642-L682 HydrophobicContact CE2-CD1 4.15Å; F642-L682 HydrophobicContact CZ-CB 4.39Å; F642-L682 HydrophobicContact CZ-CD1 4.07Å; L677-L682 HydrophobicContact CD2-CD1 4.35Å; L677-L682 PolarHBondContact O-N 3.48Å; F680-L682 VanDerWaalsContact C-N 3.32Å; F680-L682 HydrophobicContact CB-CD1 3.79Å; F680-L682 HydrophobicContact CB-CG 3.76Å; F680-L682 HydrophobicContact CD2-CD1 4.04Å; F680-L682 HydrophobicContact CG-CD1 4.41Å | ||
| 683 | C | 80.4 | Confident | 65.7 | Low | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.007 | 20% | 0.2 | C | C | . | . | trans | -134.8 | 160.3 | -179.5 | 71.7 | 0 | 0 | 0 | 0 | 113.4 | L677 I779 E780 M781 | L677-C683 HydrophobicContact CB-CB 4.38Å; L677-C683 WeakPolarHBondContact CB-SG 3.23Å; C683-I779 HydrophobicContact CB-CG2 4.04Å; C683-E780 VanDerWaalsContact CA-O 3.24Å; C683-E780 WeakPolarHBondContact CA-O 3.45Å; C683-M781 HydrophobicContact CB-CE 4.4Å; C683-M781 HydrophobicContact CB-CG 3.97Å | ||
| 684 | V | 76.2 | Confident | 63.2 | Low | 3 Ų | 3 | 51.1 Ų | 51.1 | 2% | 0.018 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 131.7 | 169.8 | 179.5 | 0 | 0 | 0 | 0 | 110 | V761 E780 V827 R830 R831 | V684-V761 HydrophobicContact CG1-CB 4.06Å; V684-V761 HydrophobicContact CG1-CG1 3.31Å; V684-V761 HydrophobicContact CG1-CG2 3.6Å; V684-E780 PolarHBondContact N-O 3.12Å; V684-E780 VanDerWaalsContact N-O 3.08Å; V684-E780 PolarHBondContact O-N 3.12Å; V684-V827 HydrophobicContact CG2-CB 3.81Å; V684-V827 HydrophobicContact CG2-CG1 3.3Å; V684-V827 HydrophobicContact CG2-CG2 3.94Å; V684-R830 HydrophobicContact CG1-CG 4.32Å; V684-R831 HydrophobicContact CG2-CG 4.41Å |
| 685 | C | 69.1 | Low | 60.6 | Low | 5 Ų | 5 | 60.6 Ų | 60.6 | 3% | 0.034 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 122.4 | 170.8 | -72.7 | 0 | 0 | 0 | 0 | 111.1 | V761 F762 I764 | C685-V761 WeakPolarHBondContact O-CA 3.39Å; C685-F762 PolarHBondContact O-N 3.41Å; C685-I764 HydrophobicContact CB-CD1 4.3Å; C685-I764 HydrophobicContact CB-CG1 4Å; C685-I764 WeakPolarHBondContact SG-CD1 3.37Å |
| 686 | C | 65.5 | Low | 58.2 | Low | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 142.2 | -179.8 | -62.5 | 0 | 0 | 0 | 0 | 110.3 | T759 I760 Q778 | C686-T759 HydrophobicContact CB-CG2 4.29Å; C686-I760 CarbonylContact C-O 3.08Å; C686-I760 WeakPolarHBondContact CA-O 3.42Å; C686-Q778 PolarHBondContact N-O 2.79Å; C686-Q778 PolarHBondContact O-N 3.31Å; C686-Q778 VanDerWaalsContact O-O 3.04Å |
| 687 | I | 57 | Low | 55.4 | Low | 9 Ų | 9 | 73.7 Ų | 73.7 | 5% | 0.046 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 127.8 | 166.9 | -58.8 | -177.5 | 0 | 0 | 0 | 108.5 | I760 F762 L767 I772 E776 | I687-I760 PolarHBondContact N-O 3.09Å; I687-I760 PolarHBondContact O-N 2.99Å; I687-F762 HydrophobicContact CB-CD2 4.43Å; I687-F762 HydrophobicContact CD1-CD2 3.35Å; I687-F762 HydrophobicContact CD1-CE2 3.47Å; I687-F762 VanDerWaalsContact CD1-CE2 3.47Å; I687-F762 HydrophobicContact CD1-CG 4.05Å; I687-F762 HydrophobicContact CD1-CZ 4.26Å; I687-F762 HydrophobicContact CG1-CD2 3.74Å; I687-F762 HydrophobicContact CG1-CE2 4.16Å; I687-L767 HydrophobicContact CD1-CD2 4.38Å; I687-I772 HydrophobicContact CD1-CD1 3.71Å; I687-I772 HydrophobicContact CD1-CG2 4.34Å; I687-E776 HydrophobicContact CG2-CB 4.27Å |
| 688 | V | 54.3 | Low | 52.6 | Low | 19 Ų | 19 | 81.4 Ų | 81.4 | 12% | 0.115 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 101.2 | 170.7 | -179.7 | 0 | 0 | 0 | 0 | 108.3 | E690 P757 T759 E776 Q778 | V688-E690 HydrophobicContact CG1-CG 4.47Å; V688-E690 PolarHBondContact O-N 3.32Å; V688-E690 VanDerWaalsContact O-N 3.1Å; V688-P757 HydrophobicContact CG1-CB 4.02Å; V688-T759 HydrophobicContact CG2-CG2 3.99Å; V688-E776 PolarHBondContact N-O 2.94Å; V688-Q778 HydrophobicContact CG2-CB 4.22Å; V688-Q778 HydrophobicContact CG2-CG 3.84Å |
| 689 | K | 44.2 | Very low | 50 | Low | 136 Ų | 136 | 90.2 Ų | 90.2 | 59% | 0.591 | 42% | 0.421 | S | S | * | . | trans | -75.2 | 98.6 | 166 | -77.6 | -164.6 | 174.4 | -166.1 | 0 | 108.9 | H691 | K689-H691 PolarHBondContact O-N 3.28Š| ||
| 690 | E | 36.4 | Very low | 47.4 | Very low | 106 Ų | 106 | 99.2 Ų | 99.2 | 50% | 0.495 | 46% | 0.459 | S | S | . | . | trans | -64.1 | 119.1 | 162.7 | -75.1 | -168.8 | 165.4 | 0 | 0 | 108.6 | V688 R692 | V688-E690 HydrophobicContact CG1-CG 4.47Å; V688-E690 PolarHBondContact O-N 3.32Å; V688-E690 VanDerWaalsContact O-N 3.1Å; E690-R692 HydrophobicContact CB-CG 4.16Å; E690-R692 PolarHBondContact O-N 3.38Å; E690-R692 IonicContact OE2-CZ 3.5Å; E690-R692 IonicContact OE2-NE 3.45Å; E690-R692 PolarHBondContact OE2-NE 2.94Å; E690-R692 IonicContact OE2-NH2 2.85Å; E690-R692 PolarHBondContact OE2-NH2 3.49Å | ||
| 691 | H | 29.9 | Very low | 44.7 | Very low | 157 Ų | 157 | 108 Ų | 108 | 73% | 0.727 | 50% | 0.497 | S | S | * | . | trans | -69.1 | 75.2 | 171 | -88 | -68.4 | 0 | 0 | 0 | 110.3 | K689 H693 | K689-H691 PolarHBondContact O-N 3.28Å; H691-H693 VanDerWaalsContact C-N 3.28Å; H691-H693 PolarHBondContact O-N 3.43Å | ||
| 692 | R | 26.3 | Very low | 42 | Very low | 192 Ų | 192 | 115.5 Ų | 115.5 | 73% | 0.725 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -1.5 | 175.3 | -73.5 | -170.8 | -178.1 | 179.1 | 2.6 | 114.6 | E690 | E690-R692 HydrophobicContact CB-CG 4.16Å; E690-R692 PolarHBondContact O-N 3.38Å; E690-R692 IonicContact OE2-CZ 3.5Å; E690-R692 IonicContact OE2-NE 3.45Å; E690-R692 PolarHBondContact OE2-NE 2.94Å; E690-R692 IonicContact OE2-NH2 2.85Å; E690-R692 PolarHBondContact OE2-NH2 3.49Å |
| 693 | H | 27.2 | Very low | 39.2 | Very low | 181 Ų | 181 | 120.6 Ų | 120.6 | 84% | 0.838 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | 13.3 | -172.9 | -77 | -66.7 | 0 | 0 | 0 | 118 | H691 | H691-H693 VanDerWaalsContact C-N 3.28Å; H691-H693 PolarHBondContact O-N 3.43Å |
| 694 | L | 28.1 | Very low | 36.7 | Very low | 153 Ų | 153 | 126.3 Ų | 126.3 | 80% | 0.801 | 60% | 0.6 | S | S | * | * | trans | -93.3 | 9.4 | 171.8 | -85.9 | 157.7 | 0 | 0 | 0 | 114.7 | S696 | L694-S696 VanDerWaalsContact C-N 3.33Å; L694-S696 PolarHBondContact O-N 3.26Å | ||
| 695 | K | 25.7 | Very low | 34.4 | Very low | 204 Ų | 204 | 131.1 Ų | 131.1 | 89% | 0.887 | 63% | 0.625 | S | S | * | * | trans | -88.9 | 54.1 | 169.3 | -75.7 | -173.7 | 178.1 | 176.7 | 0 | 112.4 | ||||
| 696 | S | 26.5 | Very low | 32.3 | Very low | 98 Ų | 98 | 135 Ų | 135 | 69% | 0.685 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -162.7 | 133.9 | 150.3 | 74.8 | 0 | 0 | 0 | 0 | 111.4 | L694 | L694-S696 VanDerWaalsContact C-N 3.33Å; L694-S696 PolarHBondContact O-N 3.26Å |
| 697 | R | 26.8 | Very low | 30.6 | Very low | 231 Ų | 231 | 143.3 Ų | 143.3 | 87% | 0.872 | 69% | 0.688 | S | S | * | * | S | Bend | trans | 69.8 | 66 | 175.7 | -64.1 | -179.1 | 170.5 | 159.3 | -2.6 | 117.2 | ||
| 698 | N | 25.1 | Very low | 29.2 | Very low | 164 Ų | 164 | 148.8 Ų | 148.8 | 88% | 0.877 | 71% | 0.713 | S | S | * | * | -174.2 | 104.1 | 117.5 | -90.9 | -23.6 | 0 | 0 | 0 | 110.4 | K700 | N698-K700 PolarHBondContact O-N 2.66Š| |||
| 699 | K | 25.8 | Very low | 28 | Very low | 208 Ų | 208 | 150.5 Ų | 150.5 | 90% | 0.904 | 72% | 0.722 | S | S | * | * | trans | -68.5 | 106.6 | 162.8 | -80.2 | 179.6 | 174.3 | 178.2 | 0 | 107.9 | ||||
| 700 | K | 24.6 | Very low | 27.2 | Very low | 195 Ų | 195 | 150.4 Ų | 150.4 | 85% | 0.848 | 72% | 0.722 | S | S | * | * | trans | 174.3 | 116.3 | 136.8 | -96.5 | 167.7 | -177.3 | -177.7 | 0 | 111.7 | N698 | N698-K700 PolarHBondContact O-N 2.66Š| ||
| 701 | K | 25.5 | Very low | 26.9 | Very low | 188 Ų | 188 | 152 Ų | 152 | 82% | 0.817 | 73% | 0.729 | S | S | * | * | S | Bend | trans | 69.7 | 121.8 | 152.4 | -65.1 | -174.3 | 173.7 | -174.2 | 0 | 119.4 | ||
| 702 | H | 25 | Very low | 26.9 | Very low | 171 Ų | 171 | 150.3 Ų | 150.3 | 79% | 0.792 | 72% | 0.722 | S | S | * | * | trans | 70.3 | 85 | 164.2 | -60.2 | -67.8 | 0 | 0 | 0 | 118.6 | ||||
| 703 | S | 24.5 | Very low | 27 | Very low | 111 Ų | 111 | 146.4 Ų | 146.4 | 78% | 0.776 | 71% | 0.714 | S | S | * | * | trans | 177.9 | 75 | 144.2 | 39.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 704 | T | 27 | Very low | 27.1 | Very low | 122 Ų | 122 | 141.3 Ų | 141.3 | 75% | 0.748 | 70% | 0.699 | S | S | * | * | trans | -123.9 | 6.2 | 168.7 | 38.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 705 | D | 27 | Very low | 27 | Very low | 103 Ų | 103 | 138.2 Ų | 138.2 | 55% | 0.551 | 69% | 0.69 | S | S | * | * | trans | -102.9 | -0.6 | -167.3 | -54 | -14.4 | 0 | 0 | 0 | 113.7 | ||||
| 706 | C | 27.1 | Very low | 26.9 | Very low | 88 Ų | 88 | 131 Ų | 131 | 60% | 0.595 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -13.3 | -174.9 | -62.6 | 0 | 0 | 0 | 0 | 114.8 | ||
| 707 | F | 27.9 | Very low | 26.9 | Very low | 173 Ų | 173 | 132 Ų | 132 | 76% | 0.759 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -30.9 | 179.2 | -117.6 | -90.4 | 0 | 0 | 0 | 112.8 | L709 F710 | F707-L709 VanDerWaalsContact C-N 3.31Å; F707-L709 PolarHBondContact O-N 3.1Å; F707-F710 PolarHBondContact O-N 3.16Å |
| 708 | E | 28.8 | Very low | 26.9 | Very low | 124 Ų | 124 | 128.9 Ų | 128.9 | 58% | 0.579 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -68.9 | -26.9 | 176.8 | -78.1 | -178.5 | 157.4 | 0 | 0 | 113.1 | F710 E711 Q712 | E708-F710 VanDerWaalsContact C-N 3.34Å; E708-F710 PolarHBondContact O-N 3.49Å; E708-E711 PolarHBondContact O-N 2.94Å; E708-Q712 WeakPolarHBondContact O-CG 3.45Å; E708-Q712 PolarHBondContact O-N 3.48Å |
| 709 | L | 28.6 | Very low | 26.9 | Very low | 56 Ų | 56 | 125.7 Ų | 125.7 | 29% | 0.293 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -71.7 | -25.6 | 178.9 | -104.7 | 151.3 | 0 | 0 | 0 | 113.8 | F707 I713 L750 | F707-L709 VanDerWaalsContact C-N 3.31Å; F707-L709 PolarHBondContact O-N 3.1Å; L709-I713 WeakPolarHBondContact O-CG1 3.48Å; L709-I713 PolarHBondContact O-N 3.02Å; L709-L750 HydrophobicContact CD1-CD2 3.61Å; L709-L750 HydrophobicContact CD2-CD1 4.24Å; L709-L750 HydrophobicContact CD2-CD2 3.74Å; L709-L750 HydrophobicContact CD2-CG 4.33Å; L709-L750 HydrophobicContact CG-CD2 4.3Å |
| 710 | F | 28.3 | Very low | 26.9 | Very low | 133 Ų | 133 | 126.4 Ų | 126.4 | 58% | 0.583 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -79.5 | -29.8 | 175.8 | -134.3 | -88.5 | 0 | 0 | 0 | 111.6 | F707 E708 S714 | F707-F710 PolarHBondContact O-N 3.16Å; E708-F710 VanDerWaalsContact C-N 3.34Å; E708-F710 PolarHBondContact O-N 3.49Å; F710-S714 PolarHBondContact O-OG 3.25Å |
| 711 | E | 29.2 | Very low | 26.9 | Very low | 139 Ų | 139 | 122.3 Ų | 122.3 | 65% | 0.65 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -75.8 | -31.7 | 169.5 | -92.7 | -172 | 149.8 | 0 | 0 | 112.9 | E708 S714 S715 | E708-E711 PolarHBondContact O-N 2.94Å; E711-S714 VanDerWaalsContact CA-OG 3.3Å; E711-S714 WeakPolarHBondContact CA-OG 3.16Å; E711-S714 PolarHBondContact O-N 2.86Å; E711-S714 PolarHBondContact O-OG 3.32Å; E711-S714 VanDerWaalsContact O-OG 3.08Å; E711-S715 WeakPolarHBondContact O-CB 3.25Å; E711-S715 PolarHBondContact O-N 3.43Å; E711-S715 VanDerWaalsContact O-N 3.08Å; E711-S715 PolarHBondContact O-OG 2.99Å |
| 712 | Q | 29.4 | Very low | 26.7 | Very low | 123 Ų | 123 | 120.9 Ų | 120.9 | 58% | 0.575 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -71.8 | -30.7 | 177.7 | -79.4 | -177.9 | -5.5 | 0 | 0 | 113.7 | E708 S715 | E708-Q712 WeakPolarHBondContact O-CG 3.45Å; E708-Q712 PolarHBondContact O-N 3.48Å; Q712-S715 WeakPolarHBondContact CA-OG 3.49Å; Q712-S715 PolarHBondContact O-OG 3.3Å |
| 713 | I | 29.9 | Very low | 26.7 | Very low | 109 Ų | 109 | 118.4 Ų | 118.4 | 56% | 0.559 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -74.7 | -32.7 | 174.6 | -65.3 | 170.4 | 0 | 0 | 0 | 111.2 | L709 S715 | L709-I713 WeakPolarHBondContact O-CG1 3.48Å; L709-I713 PolarHBondContact O-N 3.02Å; I713-S715 VanDerWaalsContact C-N 3.32Å |
| 714 | S | 28 | Very low | 26.8 | Very low | 75 Ų | 75 | 118.7 Ų | 118.7 | 52% | 0.524 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -80.1 | -9 | 175.6 | 47.2 | 0 | 0 | 0 | 0 | 114.1 | F710 E711 | F710-S714 PolarHBondContact O-OG 3.25Å; E711-S714 VanDerWaalsContact CA-OG 3.3Å; E711-S714 WeakPolarHBondContact CA-OG 3.16Å; E711-S714 PolarHBondContact O-N 2.86Å; E711-S714 PolarHBondContact O-OG 3.32Å; E711-S714 VanDerWaalsContact O-OG 3.08Å |
| 715 | S | 25.9 | Very low | 26.6 | Very low | 87 Ų | 87 | 120.5 Ų | 120.5 | 61% | 0.608 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.1 | 10.1 | 175.7 | 51.9 | 0 | 0 | 0 | 0 | 114.5 | E711 Q712 I713 | E711-S715 WeakPolarHBondContact O-CB 3.25Å; E711-S715 PolarHBondContact O-N 3.43Å; E711-S715 VanDerWaalsContact O-N 3.08Å; E711-S715 PolarHBondContact O-OG 2.99Å; Q712-S715 WeakPolarHBondContact CA-OG 3.49Å; Q712-S715 PolarHBondContact O-OG 3.3Å; I713-S715 VanDerWaalsContact C-N 3.32Å |
| 716 | S | 25.2 | Very low | 26.6 | Very low | 52 Ų | 52 | 123.5 Ų | 123.5 | 36% | 0.364 | 67% | 0.666 | S | S | . | * | S | Bend | trans | -75.2 | 136.8 | 169.5 | 84.2 | 0 | 0 | 0 | 0 | 111.3 | L718 | S716-L718 PolarHBondContact O-N 3.04Š|
| 717 | P | 26 | Very low | 26.4 | Very low | 120 Ų | 120 | 127.3 Ų | 127.3 | 78% | 0.779 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | 35.3 | -173.3 | 33.4 | -35.8 | 0 | 0 | 0 | 113.9 | ||
| 718 | L | 26.5 | Very low | 26.5 | Very low | 166 Ų | 166 | 127.8 Ų | 127.8 | 87% | 0.869 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | 11.3 | 174.2 | -81.4 | 157.4 | 0 | 0 | 0 | 113.1 | S716 | S716-L718 PolarHBondContact O-N 3.04Š|
| 719 | S | 25.2 | Very low | 26.3 | Very low | 97 Ų | 97 | 127.2 Ų | 127.2 | 68% | 0.678 | 69% | 0.685 | S | S | * | * | trans | -138.2 | 62.3 | 172 | 54.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 720 | R | 24.4 | Very low | 26.3 | Very low | 223 Ų | 223 | 130.3 Ų | 130.3 | 84% | 0.842 | 70% | 0.701 | S | S | * | * | trans | -99 | 125.3 | 155.2 | -84.5 | -173.6 | 179.2 | -176.8 | 0.3 | 107.7 | L722 | R720-L722 PolarHBondContact O-N 3.01Š| ||
| 721 | P | 24.4 | Very low | 26.3 | Very low | 109 Ų | 109 | 133.7 Ų | 133.7 | 71% | 0.708 | 71% | 0.71 | S | S | * | * | trans | -63.9 | 126.5 | 163.4 | 28.1 | -28.4 | 0 | 0 | 0 | 106.8 | T723 | P721-T723 PolarHBondContact O-N 3.46Š| ||
| 722 | L | 23.1 | Very low | 26.1 | Very low | 158 Ų | 158 | 134.9 Ų | 134.9 | 83% | 0.827 | 72% | 0.721 | S | S | * | * | trans | -54.2 | 108.7 | 160.3 | -77.8 | 154.3 | 0 | 0 | 0 | 106.2 | R720 | R720-L722 PolarHBondContact O-N 3.01Š| ||
| 723 | T | 25.3 | Very low | 26 | Very low | 118 Ų | 118 | 132.3 Ų | 132.3 | 72% | 0.724 | 73% | 0.727 | S | S | * | * | trans | -84.4 | 130.3 | 163.9 | 35.5 | 0 | 0 | 0 | 0 | 105.6 | P721 | P721-T723 PolarHBondContact O-N 3.46Š| ||
| 724 | P | 25.1 | Very low | 25.9 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 77% | 0.766 | 74% | 0.739 | S | S | * | * | trans | -70.9 | 138.8 | 176.7 | 30.1 | -30.9 | 0 | 0 | 0 | 108.8 | ||||
| 725 | D | 23.4 | Very low | 25.7 | Very low | 160 Ų | 160 | 137.1 Ų | 137.1 | 86% | 0.856 | 75% | 0.748 | S | S | * | * | trans | -28.8 | 128.2 | -178.8 | -59 | -51.5 | 0 | 0 | 0 | 116.7 | ||||
| 726 | I | 27.1 | Very low | 25.8 | Very low | 165 Ų | 165 | 144.5 Ų | 144.5 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | trans | -113.6 | 113.9 | 144.3 | -64.8 | 177.7 | 0 | 0 | 0 | 106.5 | H728 | I726-H728 PolarHBondContact O-N 3.29Š| ||
| 727 | E | 23.3 | Very low | 25.7 | Very low | 168 Ų | 168 | 149.4 Ų | 149.4 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | -44.5 | 129.9 | 171 | -61.3 | 173.8 | 142.8 | 0 | 0 | 111.9 | ||||
| 728 | H | 30.2 | Very low | 25.8 | Very low | 184 Ų | 184 | 148.8 Ų | 148.8 | 85% | 0.852 | 79% | 0.785 | S | S | * | * | -163.4 | 122.6 | 127.4 | -94.8 | -54.6 | 0 | 0 | 0 | 111.4 | I726 | I726-H728 PolarHBondContact O-N 3.29Š| |||
| 729 | T | 24.1 | Very low | 25.6 | Very low | 112 Ų | 112 | 147.9 Ų | 147.9 | 69% | 0.687 | 78% | 0.782 | S | S | * | * | trans | -51.5 | 133.6 | 166.2 | 49.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 730 | D | 28 | Very low | 25.7 | Very low | 121 Ų | 121 | 150.6 Ų | 150.6 | 65% | 0.647 | 79% | 0.788 | S | S | * | * | 161.8 | 128.6 | 111.4 | -96.6 | -27.7 | 0 | 0 | 0 | 114.4 | |||||
| 731 | R | 28.8 | Very low | 25.7 | Very low | 204 Ų | 204 | 146.5 Ų | 146.5 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | 73.7 | 112 | 135.4 | -65 | 173 | -169.9 | -165.6 | -0.8 | 122.4 | ||||
| 732 | N | 25 | Very low | 25.7 | Very low | 163 Ų | 163 | 147.8 Ų | 147.8 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | 56.5 | 125.6 | 123.3 | -68.8 | -11.2 | 0 | 0 | 0 | 121.1 | |||||
| 733 | G | 27 | Very low | 25.7 | Very low | 69 Ų | 69 | 148 Ų | 148 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | trans | 146 | 97.5 | 132.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 734 | N | 28.1 | Very low | 25.6 | Very low | 151 Ų | 151 | 145.3 Ų | 145.3 | 81% | 0.807 | 78% | 0.782 | S | S | * | * | trans | 75.7 | 109.5 | 137.4 | -65.3 | -15.7 | 0 | 0 | 0 | 122.5 | ||||
| 735 | N | 24.4 | Very low | 25.6 | Very low | 134 Ų | 134 | 146.8 Ų | 146.8 | 72% | 0.717 | 78% | 0.783 | S | S | * | * | 43.1 | 114.4 | 115.8 | -74.6 | -11.5 | 0 | 0 | 0 | 119.8 | |||||
| 736 | Y | 26.4 | Very low | 25.7 | Very low | 242 Ų | 242 | 146.3 Ų | 146.3 | 95% | 0.949 | 78% | 0.781 | S | S | * | * | -143.3 | 113.9 | 124.7 | -91 | -76.9 | 0 | 0 | 0 | 110.7 | |||||
| 737 | N | 23.6 | Very low | 25.5 | Very low | 156 Ų | 156 | 143.8 Ų | 143.8 | 83% | 0.834 | 77% | 0.769 | S | S | * | * | trans | -88.1 | 136.3 | 161.6 | -98.8 | -18.8 | 0 | 0 | 0 | 108.6 | ||||
| 738 | S | 27.4 | Very low | 25.5 | Very low | 107 Ų | 107 | 142.7 Ų | 142.7 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | 174.8 | 118.7 | 121.7 | 63.9 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 739 | N | 23.3 | Very low | 25.2 | Very low | 147 Ų | 147 | 143.2 Ų | 143.2 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | trans | 34 | 122.2 | 133.5 | -61.5 | -8.9 | 0 | 0 | 0 | 120.1 | ||||
| 740 | N | 28.2 | Very low | 25.1 | Very low | 154 Ų | 154 | 141.3 Ų | 141.3 | 82% | 0.824 | 75% | 0.749 | S | S | * | * | -174.9 | 150.3 | 96.9 | -103.1 | -20.3 | 0 | 0 | 0 | 114.5 | |||||
| 741 | N | 23.5 | Very low | 25 | Very low | 136 Ų | 136 | 139.9 Ų | 139.9 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | -47.7 | 156.5 | -179.6 | -73.3 | -29.5 | 0 | 0 | 0 | 119.5 | ||||
| 742 | N | 23.7 | Very low | 24.8 | Very low | 137 Ų | 137 | 136.2 Ų | 136.2 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | trans | 85.8 | 126.1 | 140.2 | -72 | -9.2 | 0 | 0 | 0 | 120.8 | ||||
| 743 | N | 23.2 | Very low | 24.9 | Very low | 162 Ų | 162 | 134.1 Ų | 134.1 | 87% | 0.866 | 73% | 0.733 | S | S | * | * | trans | 73.2 | 106 | 149.3 | -65.9 | -8.3 | 0 | 0 | 0 | 118.2 | ||||
| 744 | G | 24.9 | Very low | 24.9 | Very low | 62 Ų | 62 | 135.5 Ų | 135.5 | 64% | 0.639 | 73% | 0.727 | S | S | * | * | trans | 172.9 | 86.1 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | N746 | G744-N746 PolarHBondContact O-N 3.13Š| ||
| 745 | N | 23.8 | Very low | 25 | Very low | 149 Ų | 149 | 137 Ų | 137 | 80% | 0.797 | 73% | 0.73 | S | S | * | * | trans | -51.7 | 104.2 | 162.4 | -78.3 | -18.3 | 0 | 0 | 0 | 108.3 | D747 | N745-D747 PolarHBondContact O-N 3.34Š| ||
| 746 | N | 25.6 | Very low | 25.5 | Very low | 150 Ų | 150 | 135.4 Ų | 135.4 | 80% | 0.802 | 72% | 0.717 | S | S | * | * | trans | -80.5 | 63.5 | 163.1 | -77.9 | -18.3 | 0 | 0 | 0 | 108.5 | G744 L748 | G744-N746 PolarHBondContact O-N 3.13Å; N746-L748 VanDerWaalsContact C-N 3.33Å; N746-L748 PolarHBondContact O-N 3.19Å | ||
| 747 | D | 22.9 | Very low | 25.9 | Very low | 111 Ų | 111 | 127.6 Ų | 127.6 | 59% | 0.594 | 70% | 0.695 | S | S | * | * | trans | -74.8 | 96.1 | 153.1 | -76.5 | -31 | 0 | 0 | 0 | 105.7 | N745 Y749 | N745-D747 PolarHBondContact O-N 3.34Å; D747-Y749 HydrophobicContact CB-CD2 4.11Å; D747-Y749 HydrophobicContact CB-CE2 4.01Å; D747-Y749 WeakPolarHBondContact O-CD2 3.3Å; D747-Y749 PolarHBondContact O-N 3.44Å | ||
| 748 | L | 23.8 | Very low | 26.6 | Very low | 145 Ų | 145 | 125.6 Ų | 125.6 | 76% | 0.759 | 68% | 0.679 | S | S | * | * | trans | -62.7 | 88.3 | 166.7 | -98 | 127.3 | 0 | 0 | 0 | 108.3 | N746 L750 | N746-L748 VanDerWaalsContact C-N 3.33Å; N746-L748 PolarHBondContact O-N 3.19Å; L748-L750 PolarHBondContact O-N 3.09Å | ||
| 749 | Y | 22.7 | Very low | 27.2 | Very low | 195 Ų | 195 | 121.8 Ų | 121.8 | 77% | 0.765 | 65% | 0.651 | S | S | * | * | trans | -64.2 | 86.3 | 163.9 | -85 | -89.8 | 0 | 0 | 0 | 108.8 | D747 S751 | D747-Y749 HydrophobicContact CB-CD2 4.11Å; D747-Y749 HydrophobicContact CB-CE2 4.01Å; D747-Y749 WeakPolarHBondContact O-CD2 3.3Å; D747-Y749 PolarHBondContact O-N 3.44Å; Y749-S751 PolarHBondContact O-N 3.41Å | ||
| 750 | L | 23.8 | Very low | 28 | Very low | 72 Ų | 72 | 116.7 Ų | 116.7 | 38% | 0.377 | 62% | 0.624 | S | S | . | * | trans | -70.5 | 96.8 | 163.1 | -100.8 | 153.4 | 0 | 0 | 0 | 108.3 | L709 L748 | L709-L750 HydrophobicContact CD1-CD2 3.61Å; L709-L750 HydrophobicContact CD2-CD1 4.24Å; L709-L750 HydrophobicContact CD2-CD2 3.74Å; L709-L750 HydrophobicContact CD2-CG 4.33Å; L709-L750 HydrophobicContact CG-CD2 4.3Å; L748-L750 PolarHBondContact O-N 3.09Å | ||
| 751 | S | 24.7 | Very low | 28.6 | Very low | 91 Ų | 91 | 110 Ų | 110 | 64% | 0.636 | 59% | 0.588 | S | S | * | * | trans | -48.5 | 146 | 175.6 | 66.7 | 0 | 0 | 0 | 0 | 112.9 | Y749 N753 | Y749-S751 PolarHBondContact O-N 3.41Å; S751-N753 PolarHBondContact O-N 3.09Å | ||
| 752 | N | 25.1 | Very low | 29.5 | Very low | 128 Ų | 128 | 105.7 Ų | 105.7 | 68% | 0.684 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -59.9 | 29.9 | -173.3 | -75.6 | -51.9 | 0 | 0 | 0 | 117.2 | N798 | N752-N798 PolarHBondContact ND2-ND2 3.3Å; N752-N798 VanDerWaalsContact ND2-ND2 3.11Å |
| 753 | N | 25.8 | Very low | 30.4 | Very low | 118 Ų | 118 | 102.6 Ų | 102.6 | 63% | 0.631 | 55% | 0.547 | S | S | * | . | trans | -132.8 | 35 | -169.4 | -85.1 | -19.1 | 0 | 0 | 0 | 115.1 | S751 Q755 | S751-N753 PolarHBondContact O-N 3.09Å; N753-Q755 VanDerWaalsContact C-N 3.33Å; N753-Q755 PolarHBondContact O-N 2.86Å | ||
| 754 | T | 27.6 | Very low | 31.4 | Very low | 98 Ų | 98 | 96 Ų | 96 | 60% | 0.601 | 51% | 0.511 | S | S | * | . | trans | -78 | 85.8 | 165.2 | 46.6 | 0 | 0 | 0 | 0 | 110.2 | F756 | T754-F756 PolarHBondContact O-N 3.26Å; T754-F756 VanDerWaalsContact O-N 3.08Å | ||
| 755 | Q | 30.8 | Very low | 32.2 | Very low | 183 Ų | 183 | 96.7 Ų | 96.7 | 86% | 0.855 | 51% | 0.507 | S | S | * | . | trans | -70 | 97.4 | 164.5 | -79.4 | -174.7 | -2 | 0 | 0 | 108.8 | N753 | N753-Q755 VanDerWaalsContact C-N 3.33Å; N753-Q755 PolarHBondContact O-N 2.86Å | ||
| 756 | F | 33.9 | Very low | 33.1 | Very low | 101 Ų | 101 | 94 Ų | 94 | 44% | 0.443 | 49% | 0.488 | S | S | . | . | trans | -60.9 | 145.4 | 164.4 | -76.9 | -84.7 | 0 | 0 | 0 | 110 | T754 K758 V910 | T754-F756 PolarHBondContact O-N 3.26Å; T754-F756 VanDerWaalsContact O-N 3.08Å; F756-K758 PolarHBondContact O-N 2.92Å; F756-V910 HydrophobicContact CD2-CG2 4.07Å; F756-V910 HydrophobicContact CE2-CG2 4.32Å | ||
| 757 | P | 35.6 | Very low | 34 | Very low | 77 Ų | 77 | 88 Ų | 88 | 50% | 0.5 | 46% | 0.455 | S | S | . | . | trans | -57 | 134.4 | -178.5 | 21.6 | -31.1 | 0 | 0 | 0 | 110.5 | V688 T759 | V688-P757 HydrophobicContact CG1-CB 4.02Å; P757-T759 PolarHBondContact O-N 3.12Å | ||
| 758 | K | 38 | Very low | 35 | Very low | 115 Ų | 115 | 88 Ų | 88 | 50% | 0.5 | 46% | 0.455 | S | S | . | . | trans | -70.5 | 100 | 174.5 | -73.7 | 178.5 | -179.8 | 172.5 | 0 | 108.5 | F756 | F756-K758 PolarHBondContact O-N 2.92Š| ||
| 759 | T | 39.4 | Very low | 35.9 | Very low | 26 Ų | 26 | 87.3 Ų | 87.3 | 16% | 0.16 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 139.5 | 175.3 | 43.3 | 0 | 0 | 0 | 0 | 111.3 | C686 V688 P757 R830 R837 | C686-T759 HydrophobicContact CB-CG2 4.29Å; V688-T759 HydrophobicContact CG2-CG2 3.99Å; P757-T759 PolarHBondContact O-N 3.12Å; T759-R830 PolarHBondContact OG1-NH1 3.01Å; T759-R830 VanDerWaalsContact OG1-NH1 3.12Å; T759-R837 PolarHBondContact O-NH1 3.31Å |
| 760 | I | 40.8 | Very low | 36.6 | Very low | 40 Ų | 40 | 79.9 Ų | 79.9 | 21% | 0.205 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 126.4 | 173.6 | -57.5 | 174.1 | 0 | 0 | 0 | 107.5 | C686 I687 F762 | C686-I760 CarbonylContact C-O 3.08Å; C686-I760 WeakPolarHBondContact CA-O 3.42Å; I687-I760 PolarHBondContact N-O 3.09Å; I687-I760 PolarHBondContact O-N 2.99Å; I760-F762 HydrophobicContact CB-CD2 4.5Å; I760-F762 HydrophobicContact CB-CE2 4.08Å; I760-F762 HydrophobicContact CG2-CD2 3.98Å; I760-F762 HydrophobicContact CG2-CE2 3.51Å; I760-F762 HydrophobicContact CG2-CZ 4.27Å |
| 761 | V | 40.7 | Very low | 37.6 | Very low | 13 Ų | 13 | 81.1 Ų | 81.1 | 8% | 0.079 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 129.9 | 176.5 | 179.8 | 0 | 0 | 0 | 0 | 109.6 | V684 C685 R830 R831 S834 | V684-V761 HydrophobicContact CG1-CB 4.06Å; V684-V761 HydrophobicContact CG1-CG1 3.31Å; V684-V761 HydrophobicContact CG1-CG2 3.6Å; C685-V761 WeakPolarHBondContact O-CA 3.39Å; V761-R830 HydrophobicContact CG2-CG 3.72Å; V761-R831 HydrophobicContact CG1-CG 4.44Å; V761-S834 WeakPolarHBondContact CA-OG 3.25Å; V761-S834 VanDerWaalsContact CB-CB 3.42Å; V761-S834 VanDerWaalsContact CB-OG 3.32Å; V761-S834 WeakPolarHBondContact CB-OG 3.46Å; V761-S834 PolarHBondContact N-OG 3.42Å; V761-S834 PolarHBondContact O-OG 2.77Å; V761-S834 VanDerWaalsContact O-OG 3.13Å |
| 762 | F | 43.1 | Very low | 38.7 | Very low | 46 Ų | 46 | 78.8 Ų | 78.8 | 20% | 0.202 | 42% | 0.422 | C | S | . | . | trans | -113.2 | 153.5 | 174 | -83.7 | -94.6 | 0 | 0 | 0 | 111.2 | C685 I687 I760 L767 | C685-F762 PolarHBondContact O-N 3.41Å; I687-F762 HydrophobicContact CB-CD2 4.43Å; I687-F762 HydrophobicContact CD1-CD2 3.35Å; I687-F762 HydrophobicContact CD1-CE2 3.47Å; I687-F762 VanDerWaalsContact CD1-CE2 3.47Å; I687-F762 HydrophobicContact CD1-CG 4.05Å; I687-F762 HydrophobicContact CD1-CZ 4.26Å; I687-F762 HydrophobicContact CG1-CD2 3.74Å; I687-F762 HydrophobicContact CG1-CE2 4.16Å; I760-F762 HydrophobicContact CB-CD2 4.5Å; I760-F762 HydrophobicContact CB-CE2 4.08Å; I760-F762 HydrophobicContact CG2-CD2 3.98Å; I760-F762 HydrophobicContact CG2-CE2 3.51Å; I760-F762 HydrophobicContact CG2-CZ 4.27Å; F762-L767 HydrophobicContact CB-CD2 4.45Å | ||
| 763 | D | 42 | Very low | 39.8 | Very low | 73 Ų | 73 | 76.6 Ų | 76.6 | 39% | 0.39 | 41% | 0.414 | S | S | . | . | trans | -86.1 | 121 | 169.6 | -164.9 | -30.6 | 0 | 0 | 0 | 106.6 | S765 K766 | D763-S765 VanDerWaalsContact CG-OG 3.26Å; D763-S765 PolarHBondContact O-N 3.23Å; D763-S765 PolarHBondContact OD1-OG 3.32Å; D763-K766 HydrophobicContact CB-CG 4.47Å; D763-K766 PolarHBondContact O-N 3.16Å | ||
| 764 | I | 44.2 | Very low | 41.1 | Very low | 23 Ų | 23 | 74.6 Ų | 74.6 | 12% | 0.118 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -60.1 | -34.3 | -170.6 | -56.6 | 172.9 | 0 | 0 | 0 | 110.6 | L674 C685 K766 L767 | L674-I764 HydrophobicContact CB-CD1 3.63Å; L674-I764 HydrophobicContact CD1-CD1 4.46Å; C685-I764 HydrophobicContact CB-CD1 4.3Å; C685-I764 HydrophobicContact CB-CG1 4Å; C685-I764 WeakPolarHBondContact SG-CD1 3.37Å; I764-K766 PolarHBondContact O-N 2.74Å; I764-K766 VanDerWaalsContact O-N 3.09Å; I764-L767 PolarHBondContact O-N 3.3Å; I764-L767 VanDerWaalsContact O-N 3.11Å |
| 765 | S | 41.3 | Very low | 42.2 | Very low | 77 Ų | 77 | 77.7 Ų | 77.7 | 54% | 0.538 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -55.9 | -27.1 | 176.9 | 61 | 0 | 0 | 0 | 0 | 113.4 | D763 | D763-S765 VanDerWaalsContact CG-OG 3.26Å; D763-S765 PolarHBondContact O-N 3.23Å; D763-S765 PolarHBondContact OD1-OG 3.32Å |
| 766 | K | 43.9 | Very low | 43.4 | Very low | 92 Ų | 92 | 72.8 Ų | 72.8 | 40% | 0.4 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -95.6 | -3.6 | -176.9 | -61.3 | -167.6 | 177.2 | -166.4 | 0 | 114.1 | D763 I764 E873 N877 | D763-K766 HydrophobicContact CB-CG 4.47Å; D763-K766 PolarHBondContact O-N 3.16Å; I764-K766 PolarHBondContact O-N 2.74Å; I764-K766 VanDerWaalsContact O-N 3.09Å; K766-E873 IonicContact NZ-OE1 3.09Å; K766-E873 PolarHBondContact NZ-OE1 2.89Å; K766-N877 PolarHBondContact O-ND2 2.97Å |
| 767 | L | 44.6 | Very low | 44.8 | Very low | 24 Ų | 24 | 68.7 Ų | 68.7 | 13% | 0.126 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -78.2 | -18.2 | -177.2 | -78.7 | 167.9 | 0 | 0 | 0 | 114.3 | I687 F762 I764 N769 T770 I772 I777 | I687-L767 HydrophobicContact CD1-CD2 4.38Å; F762-L767 HydrophobicContact CB-CD2 4.45Å; I764-L767 PolarHBondContact O-N 3.3Å; I764-L767 VanDerWaalsContact O-N 3.11Å; L767-N769 PolarHBondContact O-N 3.33Å; L767-T770 PolarHBondContact O-N 3.2Å; L767-T770 PolarHBondContact O-OG1 3.36Å; L767-I772 HydrophobicContact CD2-CD1 3.51Å; L767-I777 HydrophobicContact CD1-CD1 4.13Å |
| 768 | N | 43.9 | Very low | 46.4 | Very low | 110 Ų | 110 | 67 Ų | 67 | 59% | 0.588 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -63.8 | -7.6 | -173.6 | -75.5 | -15 | 0 | 0 | 0 | 115 | ||
| 769 | N | 41.5 | Very low | 48.2 | Very low | 132 Ų | 132 | 61.5 Ų | 61.5 | 71% | 0.706 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -115.6 | 9.2 | -175.3 | -74 | -9.8 | 0 | 0 | 0 | 115.2 | L767 | L767-N769 PolarHBondContact O-N 3.33Š|
| 770 | T | 38.4 | Very low | 49.9 | Very low | 38 Ų | 38 | 61.6 Ų | 61.6 | 23% | 0.233 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -126.7 | 139.8 | -176.3 | 37.2 | 0 | 0 | 0 | 0 | 112.7 | L767 I772 N877 | L767-T770 PolarHBondContact O-N 3.2Å; L767-T770 PolarHBondContact O-OG1 3.36Å; T770-I772 PolarHBondContact O-N 2.94Å; T770-I772 VanDerWaalsContact OG1-CD1 3.31Å; T770-I772 WeakPolarHBondContact OG1-CD1 3.45Å; T770-N877 VanDerWaalsContact CG2-C 3.42Å; T770-N877 VanDerWaalsContact CG2-CA 3.49Å; T770-N877 HydrophobicContact CG2-CB 3.67Å; T770-N877 WeakPolarHBondContact CG2-O 3.32Å |
| 771 | S | 43.4 | Very low | 51.6 | Low | 99 Ų | 99 | 60 Ų | 60 | 69% | 0.692 | 32% | 0.322 | S | S | * | . | trans | -68 | 55.3 | 173.9 | 50.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 772 | I | 48.2 | Very low | 53.2 | Low | 41 Ų | 41 | 59.7 Ų | 59.7 | 21% | 0.21 | 32% | 0.321 | C | S | . | . | trans | -95.9 | 119.6 | 173.2 | -61.3 | 160.9 | 0 | 0 | 0 | 106.3 | I687 L767 T770 E776 I777 | I687-I772 HydrophobicContact CD1-CD1 3.71Å; I687-I772 HydrophobicContact CD1-CG2 4.34Å; L767-I772 HydrophobicContact CD2-CD1 3.51Å; T770-I772 PolarHBondContact O-N 2.94Å; T770-I772 VanDerWaalsContact OG1-CD1 3.31Å; T770-I772 WeakPolarHBondContact OG1-CD1 3.45Å; I772-E776 HydrophobicContact CG2-CB 4.07Å; I772-I777 HydrophobicContact CG2-CG1 4.26Å | ||
| 773 | T | 49.7 | Very low | 54.7 | Low | 83 Ų | 83 | 58.3 Ų | 58.3 | 51% | 0.509 | 31% | 0.314 | S | S | . | . | trans | -69 | 142 | 176 | 50.9 | 0 | 0 | 0 | 0 | 109.5 | E775 E776 | T773-E775 PolarHBondContact O-N 3.22Å; T773-E776 PolarHBondContact O-N 3.15Å | ||
| 774 | N | 52.6 | Low | 56 | Low | 76 Ų | 76 | 54.9 Ų | 54.9 | 41% | 0.406 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -51.8 | -25.8 | -179.5 | -74.4 | -13.1 | 0 | 0 | 0 | 113.2 | E776 I777 | N774-E776 VanDerWaalsContact C-N 3.3Å; N774-E776 PolarHBondContact O-N 3.04Å; N774-I777 PolarHBondContact O-N 3.38Å |
| 775 | E | 50.4 | Low | 57.2 | Low | 163 Ų | 163 | 54.2 Ų | 54.2 | 76% | 0.762 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -64.9 | -23.9 | 177.6 | -63.7 | -174.8 | 171.7 | 0 | 0 | 114.5 | T773 | T773-E775 PolarHBondContact O-N 3.22Š|
| 776 | E | 56.7 | Low | 58.3 | Low | 80 Ų | 80 | 54.8 Ų | 54.8 | 37% | 0.374 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -84.8 | -14.1 | -178 | -65.3 | -167 | 160.9 | 0 | 0 | 113.9 | I687 V688 I772 T773 N774 | I687-E776 HydrophobicContact CG2-CB 4.27Å; V688-E776 PolarHBondContact N-O 2.94Å; I772-E776 HydrophobicContact CG2-CB 4.07Å; T773-E776 PolarHBondContact O-N 3.15Å; N774-E776 VanDerWaalsContact C-N 3.3Å; N774-E776 PolarHBondContact O-N 3.04Å |
| 777 | I | 62.7 | Low | 59.2 | Low | 14 Ų | 14 | 52.7 Ų | 52.7 | 7% | 0.072 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 113.9 | -176.7 | -57.1 | 172.4 | 0 | 0 | 0 | 109.2 | L658 L767 I772 N774 I779 | L658-I777 HydrophobicContact CD1-CB 4.08Å; L658-I777 HydrophobicContact CD1-CD1 3.85Å; L658-I777 HydrophobicContact CD1-CG2 4.03Å; L767-I777 HydrophobicContact CD1-CD1 4.13Å; I772-I777 HydrophobicContact CG2-CG1 4.26Å; N774-I777 PolarHBondContact O-N 3.38Å; I777-I779 HydrophobicContact CG2-CG1 4.49Å |
| 778 | Q | 69.8 | Low | 59.5 | Low | 41 Ų | 41 | 56.4 Ų | 56.4 | 19% | 0.192 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 133.8 | 170.2 | -71 | -167.5 | 0.9 | 0 | 0 | 111 | F656 C686 V688 | F656-Q778 CarbonylContact O-C 3.59Å; F656-Q778 WeakPolarHBondContact O-CA 3.44Å; C686-Q778 PolarHBondContact N-O 2.79Å; C686-Q778 PolarHBondContact O-N 3.31Å; C686-Q778 VanDerWaalsContact O-O 3.04Å; V688-Q778 HydrophobicContact CG2-CB 4.22Å; V688-Q778 HydrophobicContact CG2-CG 3.84Å |
| 779 | I | 74.9 | Confident | 60 | Low | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 114.1 | -179.9 | -61.2 | 153.3 | 0 | 0 | 0 | 106.8 | S655 F656 L658 I661 L674 C683 I777 M781 | S655-I779 CarbonylContact C-O 3.59Å; S655-I779 WeakPolarHBondContact CA-O 3.36Å; F656-I779 HydrophobicContact CB-CB 4.31Å; F656-I779 PolarHBondContact N-O 2.75Å; F656-I779 PolarHBondContact O-N 2.94Å; L658-I779 HydrophobicContact CG-CD1 4.45Å; I661-I779 HydrophobicContact CD1-CB 4.35Å; I661-I779 HydrophobicContact CD1-CD1 3.38Å; I661-I779 HydrophobicContact CD1-CG1 4.41Å; I661-I779 HydrophobicContact CD1-CG2 4.13Å; I661-I779 HydrophobicContact CG1-CD1 4.33Å; L674-I779 HydrophobicContact CD1-CD1 3.85Å; L674-I779 HydrophobicContact CD2-CD1 3.63Å; L674-I779 HydrophobicContact CD2-CG1 4.04Å; L674-I779 HydrophobicContact CD2-CG2 3.88Å; L674-I779 HydrophobicContact CG-CD1 4.36Å; C683-I779 HydrophobicContact CB-CG2 4.04Å; I777-I779 HydrophobicContact CG2-CG1 4.49Å; I779-M781 HydrophobicContact CG2-CE 4.33Å |
| 780 | E | 74.9 | Confident | 60.4 | Low | 29 Ų | 29 | 54.9 Ų | 54.9 | 14% | 0.136 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 129.4 | -179.8 | -68 | -176.8 | -176.6 | 0 | 0 | 110.3 | C683 V684 R830 | C683-E780 VanDerWaalsContact CA-O 3.24Å; C683-E780 WeakPolarHBondContact CA-O 3.45Å; V684-E780 PolarHBondContact N-O 3.12Å; V684-E780 VanDerWaalsContact N-O 3.08Å; V684-E780 PolarHBondContact O-N 3.12Å; E780-R830 IonicContact OE1-CZ 2.89Å; E780-R830 IonicContact OE1-NH1 3.63Å; E780-R830 PolarHBondContact OE1-NH1 3.28Å; E780-R830 IonicContact OE1-NH2 2.72Å; E780-R830 WeakPolarHBondContact OE2-CD 3.35Å; E780-R830 IonicContact OE2-CZ 3.32Å; E780-R830 IonicContact OE2-NE 3.33Å; E780-R830 PolarHBondContact OE2-NE 2.87Å; E780-R830 IonicContact OE2-NH1 2.87Å; E780-R830 PolarHBondContact OE2-NH1 3.16Å; E780-R830 IonicContact OE2-NH2 3.56Å; E780-R830 PolarHBondContact OE2-NH2 3.44Å |
| 781 | M | 77.6 | Confident | 60.7 | Low | 5 Ų | 5 | 61.3 Ų | 61.3 | 3% | 0.025 | 32% | 0.315 | C | S | . | . | trans | -117.9 | 96.1 | 171.9 | -60.4 | -167.5 | -173.9 | 0 | 0 | 109.4 | F642 G654 F656 I661 L677 C683 I779 R783 L784 | F642-M781 HydrophobicContact CZ-SD 4.35Å; G654-M781 PolarHBondContact O-N 3.03Å; F656-M781 HydrophobicContact CD2-CE 4.32Å; F656-M781 HydrophobicContact CD2-CG 4.02Å; F656-M781 HydrophobicContact CD2-SD 4.27Å; F656-M781 HydrophobicContact CE2-CB 3.98Å; F656-M781 HydrophobicContact CE2-CE 4.44Å; F656-M781 HydrophobicContact CE2-CG 3.81Å; F656-M781 HydrophobicContact CE2-SD 3.86Å; I661-M781 HydrophobicContact CD1-CE 4.45Å; L677-M781 HydrophobicContact CD1-CE 3.69Å; C683-M781 HydrophobicContact CB-CE 4.4Å; C683-M781 HydrophobicContact CB-CG 3.97Å; I779-M781 HydrophobicContact CG2-CE 4.33Å; M781-R783 PolarHBondContact O-N 3.44Å; M781-L784 HydrophobicContact CB-CD1 4.06Å; M781-L784 HydrophobicContact CB-CG 4.21Å; M781-L784 PolarHBondContact O-N 2.6Å; M781-L784 HydrophobicContact SD-CD1 3.97Å | ||
| 782 | P | 74.2 | Confident | 60.9 | Low | 8 Ų | 8 | 57.9 Ų | 57.9 | 5% | 0.052 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -61.3 | -25.9 | -167.5 | -25.4 | 34.5 | 0 | 0 | 0 | 114.8 | L784 N785 P823 Q826 V827 | P782-L784 PolarHBondContact O-N 3.16Å; P782-N785 WeakPolarHBondContact O-CB 3.36Å; P782-N785 PolarHBondContact O-N 3.05Å; P782-P823 HydrophobicContact CB-CB 4.5Å; P782-Q826 HydrophobicContact CB-CB 3.81Å; P782-Q826 HydrophobicContact CB-CG 4.43Å; P782-Q826 HydrophobicContact CG-CB 3.9Å; P782-V827 HydrophobicContact CG-CG2 3.87Å |
| 783 | R | 73.7 | Confident | 61.1 | Low | 17 Ų | 17 | 56.8 Ų | 56.8 | 6% | 0.064 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -63.5 | -25.1 | 175.5 | -174.3 | 52.7 | 174.6 | 156.4 | 1.2 | 113.4 | P391 F642 M781 P823 L913 | P391-R783 PolarHBondContact O-NH2 3.43Å; F642-R783 HydrophobicContact CE1-CB 4.3Å; F642-R783 HydrophobicContact CE1-CG 4.48Å; M781-R783 PolarHBondContact O-N 3.44Å; R783-P823 HydrophobicContact CB-CB 4.02Å; R783-P823 HydrophobicContact CB-CG 3.65Å; R783-P823 HydrophobicContact CG-CG 4.16Å; R783-L913 WeakPolarHBondContact O-CD1 3.4Å |
| 784 | L | 69.5 | Low | 61.2 | Low | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -95.7 | 5.9 | -177.9 | -52.9 | -179.5 | 0 | 0 | 0 | 112 | F642 F646 L647 T650 F656 M781 P782 Q786 | F642-L784 HydrophobicContact CD1-CD2 3.9Å; F642-L784 HydrophobicContact CD1-CG 4.49Å; F642-L784 HydrophobicContact CE1-CD2 4.28Å; F642-L784 HydrophobicContact CE1-CG 4.4Å; F646-L784 HydrophobicContact CD1-CD1 4.34Å; F646-L784 HydrophobicContact CE1-CD1 4.3Å; L647-L784 HydrophobicContact CD2-CB 4.04Å; L647-L784 HydrophobicContact CD2-CD2 3.39Å; L647-L784 HydrophobicContact CD2-CG 4.29Å; L647-L784 HydrophobicContact CG-CD2 3.88Å; T650-L784 HydrophobicContact CG2-CB 4.4Å; T650-L784 HydrophobicContact CG2-CD1 4.29Å; F656-L784 HydrophobicContact CE2-CD1 3.75Å; F656-L784 HydrophobicContact CZ-CD1 3.55Å; M781-L784 HydrophobicContact CB-CD1 4.06Å; M781-L784 HydrophobicContact CB-CG 4.21Å; M781-L784 PolarHBondContact O-N 2.6Å; M781-L784 HydrophobicContact SD-CD1 3.97Å; P782-L784 PolarHBondContact O-N 3.16Å; L784-Q786 PolarHBondContact O-N 2.9Å |
| 785 | N | 68.6 | Low | 61.1 | Low | 9 Ų | 9 | 55.7 Ų | 55.7 | 5% | 0.048 | 28% | 0.277 | C | S | . | . | trans | -72.1 | 117.3 | 177.3 | -172.3 | -27.3 | 0 | 0 | 0 | 109.8 | I652 P782 I787 Q911 W912 L913 | I652-N785 PolarHBondContact O-OD1 2.88Å; P782-N785 WeakPolarHBondContact O-CB 3.36Å; P782-N785 PolarHBondContact O-N 3.05Å; N785-I787 VanDerWaalsContact OD1-CB 3.23Å; N785-I787 WeakPolarHBondContact OD1-CB 3.38Å; N785-I787 WeakPolarHBondContact OD1-CD1 3.5Å; N785-I787 WeakPolarHBondContact OD1-CG1 3.29Å; N785-I787 PolarHBondContact OD1-N 2.85Å; N785-Q911 PolarHBondContact ND2-O 3.08Å; N785-W912 WeakPolarHBondContact ND2-CA 3.27Å; N785-L913 WeakPolarHBondContact O-CB 3.36Å | ||
| 786 | Q | 65.3 | Low | 60.9 | Low | 88 Ų | 88 | 50 Ų | 50 | 41% | 0.411 | 25% | 0.252 | S | S | . | . | trans | -98.3 | 9.5 | -177.4 | -64.4 | -178.1 | 9 | 0 | 0 | 112.7 | L647 I652 L784 P788 | L647-Q786 PolarHBondContact O-NE2 2.88Å; I652-Q786 PolarHBondContact O-N 3.48Å; L784-Q786 PolarHBondContact O-N 2.9Å; Q786-P788 VanDerWaalsContact O-CD 3.28Å; Q786-P788 WeakPolarHBondContact O-CD 3.36Å; Q786-P788 VanDerWaalsContact O-N 3.17Å | ||
| 787 | I | 62.3 | Low | 60.3 | Low | 49 Ų | 49 | 51.9 Ų | 51.9 | 25% | 0.251 | 27% | 0.265 | S | S | . | . | trans | -63.6 | 118.9 | 179.7 | -62.8 | 167.6 | 0 | 0 | 0 | 109 | I652 T653 N785 W912 | I652-I787 HydrophobicContact CG2-CG1 3.87Å; T653-I787 HydrophobicContact CG2-CD1 4.34Å; N785-I787 VanDerWaalsContact OD1-CB 3.23Å; N785-I787 WeakPolarHBondContact OD1-CB 3.38Å; N785-I787 WeakPolarHBondContact OD1-CD1 3.5Å; N785-I787 WeakPolarHBondContact OD1-CG1 3.29Å; N785-I787 PolarHBondContact OD1-N 2.85Å; I787-W912 HydrophobicContact CB-CB 4.16Å; I787-W912 HydrophobicContact CG2-CB 4.28Å | ||
| 788 | P | 52.3 | Low | 59.6 | Low | 102 Ų | 102 | 54.9 Ų | 54.9 | 66% | 0.662 | 28% | 0.281 | S | S | * | . | trans | -66 | 153.6 | 179 | 26.1 | -32.5 | 0 | 0 | 0 | 111 | Q786 Y790 | Q786-P788 VanDerWaalsContact O-CD 3.28Å; Q786-P788 WeakPolarHBondContact O-CD 3.36Å; Q786-P788 VanDerWaalsContact O-N 3.17Å; P788-Y790 PolarHBondContact O-N 3.49Å | ||
| 789 | L | 53.6 | Low | 58.5 | Low | 82 Ų | 82 | 59.2 Ų | 59.2 | 43% | 0.429 | 31% | 0.306 | S | S | . | . | trans | -59.1 | 107.5 | -177.1 | -153 | 139.8 | 0 | 0 | 0 | 109.9 | Q791 H914 | L789-Q791 PolarHBondContact O-N 3.18Å; L789-H914 HydrophobicContact CD1-CB 4.2Å | ||
| 790 | Y | 50.1 | Low | 57.2 | Low | 128 Ų | 128 | 66.8 Ų | 66.8 | 50% | 0.502 | 34% | 0.341 | S | S | . | . | trans | -75.3 | 97.1 | -172.6 | -162.3 | -89.1 | 0 | 0 | 0 | 109.9 | P788 G792 L793 | P788-Y790 PolarHBondContact O-N 3.49Å; Y790-G792 PolarHBondContact O-N 3.06Å; Y790-G792 VanDerWaalsContact O-N 3.11Å; Y790-L793 HydrophobicContact CD1-CG 4.15Å; Y790-L793 HydrophobicContact CG-CG 4.48Å; Y790-L793 VanDerWaalsContact O-CB 3.3Å; Y790-L793 WeakPolarHBondContact O-CB 3.33Å; Y790-L793 WeakPolarHBondContact O-CD1 3.41Å; Y790-L793 VanDerWaalsContact O-CG 3.31Å; Y790-L793 WeakPolarHBondContact O-CG 3.27Å; Y790-L793 PolarHBondContact O-N 3.1Å | ||
| 791 | Q | 45.2 | Very low | 56.1 | Low | 173 Ų | 173 | 66.6 Ų | 66.6 | 81% | 0.808 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -57.2 | -26.7 | -179.7 | -75.8 | -177.4 | -6.7 | 0 | 0 | 112.8 | L789 L793 | L789-Q791 PolarHBondContact O-N 3.18Å; Q791-L793 PolarHBondContact O-N 2.78Å |
| 792 | G | 46.6 | Very low | 55 | Low | 26 Ų | 26 | 73.7 Ų | 73.7 | 27% | 0.268 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -72.2 | -0.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y790 W794 D795 | Y790-G792 PolarHBondContact O-N 3.06Å; Y790-G792 VanDerWaalsContact O-N 3.11Å; G792-W794 PolarHBondContact O-N 3.05Å; G792-W794 VanDerWaalsContact O-N 3.1Å; G792-D795 WeakPolarHBondContact O-CB 3.47Å; G792-D795 PolarHBondContact O-N 2.77Å; G792-D795 VanDerWaalsContact O-N 3.09Å |
| 793 | L | 51.8 | Low | 54.3 | Low | 19 Ų | 19 | 82.5 Ų | 82.5 | 10% | 0.099 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -60.7 | -24.9 | 179.6 | -85 | 159.3 | 0 | 0 | 0 | 112.8 | Y790 Q791 W912 K917 F928 | Y790-L793 HydrophobicContact CD1-CG 4.15Å; Y790-L793 HydrophobicContact CG-CG 4.48Å; Y790-L793 VanDerWaalsContact O-CB 3.3Å; Y790-L793 WeakPolarHBondContact O-CB 3.33Å; Y790-L793 WeakPolarHBondContact O-CD1 3.41Å; Y790-L793 VanDerWaalsContact O-CG 3.31Å; Y790-L793 WeakPolarHBondContact O-CG 3.27Å; Y790-L793 PolarHBondContact O-N 3.1Å; Q791-L793 PolarHBondContact O-N 2.78Å; L793-W912 HydrophobicContact CD1-CD2 4.45Å; L793-W912 HydrophobicContact CD1-CE3 4.2Å; L793-W912 HydrophobicContact CD1-CH2 3.55Å; L793-W912 HydrophobicContact CD1-CZ2 3.8Å; L793-W912 HydrophobicContact CD1-CZ3 3.76Å; L793-W912 HydrophobicContact CD2-CH2 4.41Å; L793-W912 HydrophobicContact CD2-CZ3 4.24Å; L793-K917 HydrophobicContact CD2-CB 4.5Å; L793-K917 HydrophobicContact CD2-CD 3.58Å; L793-F928 HydrophobicContact CB-CE1 4.25Å; L793-F928 HydrophobicContact CD2-CE1 4.2Å; L793-F928 WeakPolarHBondContact O-CE1 3.47Å |
| 794 | W | 52.9 | Low | 54 | Low | 39 Ų | 39 | 82.3 Ų | 82.3 | 15% | 0.148 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -92.9 | 8.1 | -177.2 | -54.2 | 83.4 | 0 | 0 | 0 | 113 | G792 N796 F941 H989 Y990 | G792-W794 PolarHBondContact O-N 3.05Å; G792-W794 VanDerWaalsContact O-N 3.1Å; W794-N796 PolarHBondContact O-N 3.13Å; W794-N796 PolarHBondContact O-ND2 2.83Å; W794-N796 PolarHBondContact O-OD1 3.37Å; W794-F941 HydrophobicContact CH2-CB 4.47Å; W794-F941 HydrophobicContact CH2-CD1 4.07Å; W794-F941 AromaticContact CH2-CD2 3.4Å; W794-F941 HydrophobicContact CH2-CD2 3.4Å; W794-F941 HydrophobicContact CH2-CE1 4.11Å; W794-F941 AromaticContact CH2-CE2 3.45Å; W794-F941 HydrophobicContact CH2-CE2 3.45Å; W794-F941 VanDerWaalsContact CH2-CE2 3.45Å; W794-F941 AromaticContact CH2-CG 3.71Å; W794-F941 HydrophobicContact CH2-CG 3.71Å; W794-F941 AromaticContact CH2-CZ 3.81Å; W794-F941 HydrophobicContact CH2-CZ 3.81Å; W794-F941 HydrophobicContact CZ2-CD2 4.19Å; W794-F941 HydrophobicContact CZ2-CE2 4.11Å; W794-F941 HydrophobicContact CZ3-CD1 4.25Å; W794-F941 HydrophobicContact CZ3-CD2 4.2Å; W794-F941 HydrophobicContact CZ3-CE2 4.48Å; W794-F941 HydrophobicContact CZ3-CG 4.05Å; W794-H989 HydrophobicContact CD2-CB 4.17Å; W794-H989 HydrophobicContact CE3-CB 3.48Å; W794-H989 VanDerWaalsContact CE3-CB 3.48Å; W794-H989 HydrophobicContact CH2-CB 3.5Å; W794-H989 AromaticContact CH2-CG 3.59Å; W794-H989 AromaticContact CH2-ND1 3.62Å; W794-H989 HydrophobicContact CZ2-CB 4.2Å; W794-H989 AromaticContact CZ2-ND1 3.7Å; W794-H989 HydrophobicContact CZ3-CB 3.12Å; W794-H989 AromaticContact CZ3-CG 3.78Å; W794-Y990 HydrophobicContact CD2-CE1 4.46Å; W794-Y990 AromaticContact CE3-CD1 3.92Å; W794-Y990 HydrophobicContact CE3-CD1 3.92Å; W794-Y990 HydrophobicContact CE3-CD2 4.39Å; W794-Y990 AromaticContact CE3-CE1 3.32Å; W794-Y990 HydrophobicContact CE3-CE1 3.32Å; W794-Y990 AromaticContact CE3-CE2 3.9Å; W794-Y990 HydrophobicContact CE3-CE2 3.9Å; W794-Y990 HydrophobicContact CE3-CG 4.41Å; W794-Y990 AromaticContact CE3-CZ 3.31Å; W794-Y990 HydrophobicContact CZ3-CD1 4.42Å; W794-Y990 HydrophobicContact CZ3-CD2 4.12Å; W794-Y990 AromaticContact CZ3-CE1 3.76Å; W794-Y990 HydrophobicContact CZ3-CE1 3.76Å; W794-Y990 AromaticContact CZ3-CE2 3.42Å; W794-Y990 HydrophobicContact CZ3-CE2 3.42Å; W794-Y990 VanDerWaalsContact CZ3-CE2 3.42Å; W794-Y990 AromaticContact CZ3-CZ 3.19Å; W794-Y990 WeakPolarHBondContact CZ3-OH 3.48Å |
| 795 | D | 49.3 | Very low | 53.9 | Low | 97 Ų | 97 | 83.5 Ų | 83.5 | 52% | 0.519 | 41% | 0.41 | S | S | . | . | trans | -51.3 | 116 | -162.8 | -116.8 | -27.9 | 0 | 0 | 0 | 113.3 | G792 N801 | G792-D795 WeakPolarHBondContact O-CB 3.47Å; G792-D795 PolarHBondContact O-N 2.77Å; G792-D795 VanDerWaalsContact O-N 3.09Å; D795-N801 PolarHBondContact O-ND2 3.29Å | ||
| 796 | N | 48 | Very low | 54.1 | Low | 44 Ų | 44 | 83.4 Ų | 83.4 | 24% | 0.235 | 41% | 0.409 | C | S | . | . | trans | -94.7 | 2.6 | -170.2 | -80.4 | -46.2 | 0 | 0 | 0 | 112.2 | W794 N801 | W794-N796 PolarHBondContact O-N 3.13Å; W794-N796 PolarHBondContact O-ND2 2.83Å; W794-N796 PolarHBondContact O-OD1 3.37Å; N796-N801 WeakPolarHBondContact CA-ND2 3.49Å | ||
| 797 | N | 42.6 | Very low | 54.5 | Low | 119 Ų | 119 | 79.8 Ų | 79.8 | 64% | 0.636 | 39% | 0.393 | S | S | * | . | trans | -88 | -5.5 | -163.6 | -72.4 | -12.8 | 0 | 0 | 0 | 115.7 | ||||
| 798 | N | 48.6 | Very low | 54.9 | Low | 76 Ų | 76 | 77.6 Ų | 77.6 | 41% | 0.406 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -86.2 | 126.1 | 171.4 | -75.5 | -6.9 | 0 | 0 | 0 | 110.8 | N752 E800 N801 | N752-N798 PolarHBondContact ND2-ND2 3.3Å; N752-N798 VanDerWaalsContact ND2-ND2 3.11Å; N798-E800 PolarHBondContact O-N 3.02Å; N798-N801 WeakPolarHBondContact O-CB 3.31Å; N798-N801 PolarHBondContact O-N 2.92Å |
| 799 | N | 45.9 | Very low | 56.2 | Low | 133 Ų | 133 | 73.5 Ų | 73.5 | 71% | 0.711 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -52.3 | -19.6 | 175.4 | -93.7 | -39 | 0 | 0 | 0 | 114 | N801 K802 | N799-N801 VanDerWaalsContact C-N 3.3Å; N799-N801 PolarHBondContact O-N 3.34Å; N799-K802 PolarHBondContact OD1-NZ 3.16Å |
| 800 | E | 48.4 | Very low | 57.5 | Low | 158 Ų | 158 | 70.9 Ų | 70.9 | 74% | 0.738 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -65.9 | -26.1 | 173.7 | -64.7 | -170.9 | 153.1 | 0 | 0 | 113.7 | N798 K802 R803 | N798-E800 PolarHBondContact O-N 3.02Å; E800-K802 PolarHBondContact O-N 3.28Å; E800-K802 VanDerWaalsContact O-N 3.15Å; E800-R803 PolarHBondContact O-N 2.97Å |
| 801 | N | 52.5 | Low | 58.9 | Low | 26 Ų | 26 | 64.9 Ų | 64.9 | 14% | 0.139 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -65.2 | -18.4 | -179.5 | -77.2 | -27.3 | 0 | 0 | 0 | 113.7 | D795 N796 N798 N799 R803 M804 R943 | D795-N801 PolarHBondContact O-ND2 3.29Å; N796-N801 WeakPolarHBondContact CA-ND2 3.49Å; N798-N801 WeakPolarHBondContact O-CB 3.31Å; N798-N801 PolarHBondContact O-N 2.92Å; N799-N801 VanDerWaalsContact C-N 3.3Å; N799-N801 PolarHBondContact O-N 3.34Å; N801-R803 PolarHBondContact O-N 2.87Å; N801-R803 VanDerWaalsContact O-N 3.12Å; N801-M804 PolarHBondContact O-N 3.44Å; N801-R943 PolarHBondContact OD1-NH1 3.24Å |
| 802 | K | 54 | Low | 60.3 | Low | 153 Ų | 153 | 58.8 Ų | 58.8 | 67% | 0.665 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -63.7 | -16.2 | 178 | -74.6 | 177.8 | 177.4 | 164.8 | 0 | 113.6 | N799 E800 | N799-K802 PolarHBondContact OD1-NZ 3.16Å; E800-K802 PolarHBondContact O-N 3.28Å; E800-K802 VanDerWaalsContact O-N 3.15Å |
| 803 | R | 59.1 | Low | 61.4 | Low | 193 Ų | 193 | 57.9 Ų | 57.9 | 73% | 0.728 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -99.1 | -9.7 | 179.4 | -67.5 | -174.8 | 179.4 | 178.8 | 1.5 | 114.1 | E800 N801 L945 P946 | E800-R803 PolarHBondContact O-N 2.97Å; N801-R803 PolarHBondContact O-N 2.87Å; N801-R803 VanDerWaalsContact O-N 3.12Å; R803-L945 HydrophobicContact CB-CD2 4.24Å; R803-P946 VanDerWaalsContact O-CD 3.3Å; R803-P946 WeakPolarHBondContact O-CD 3.45Å |
| 804 | M | 66.9 | Low | 61.7 | Low | 13 Ų | 13 | 60.8 Ų | 60.8 | 6% | 0.064 | 30% | 0.301 | C | S | . | . | trans | -77.4 | 143.2 | -176 | -63.4 | -74 | -84.1 | 0 | 0 | 111 | N801 Y806 R943 C944 L945 | N801-M804 PolarHBondContact O-N 3.44Å; M804-Y806 HydrophobicContact CB-CE2 4.24Å; M804-Y806 WeakPolarHBondContact O-CE2 3.31Å; M804-R943 HydrophobicContact CE-CB 3.95Å; M804-R943 HydrophobicContact CE-CG 3.71Å; M804-C944 CarbonylContact C-O 3.59Å; M804-C944 WeakPolarHBondContact CA-O 3.35Å; M804-L945 HydrophobicContact SD-CB 4.47Å; M804-L945 HydrophobicContact SD-CD2 3.76Å; M804-L945 HydrophobicContact SD-CG 3.76Å; M804-L945 PolarHBondContact SD-N 3.11Å; M804-L945 VanDerWaalsContact SD-N 3.45Å | ||
| 805 | I | 68.4 | Low | 61.9 | Low | 26 Ų | 26 | 61 Ų | 61 | 13% | 0.133 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 136.7 | 173.2 | -45.2 | -178 | 0 | 0 | 0 | 108.3 | R943 C944 P946 I949 K994 W996 | I805-R943 VanDerWaalsContact O-CA 3.31Å; I805-R943 WeakPolarHBondContact O-CA 3.36Å; I805-C944 PolarHBondContact N-O 3.44Å; I805-C944 PolarHBondContact O-N 2.72Å; I805-P946 HydrophobicContact CD1-CB 3.83Å; I805-P946 HydrophobicContact CD1-CG 3.89Å; I805-P946 HydrophobicContact CG1-CB 4.45Å; I805-P946 HydrophobicContact CG1-CG 3.99Å; I805-I949 HydrophobicContact CD1-CD1 3.67Å; I805-I949 HydrophobicContact CD1-CG1 4.04Å; I805-K994 WeakPolarHBondContact CA-O 3.42Å; I805-K994 VanDerWaalsContact CG2-O 3.3Å; I805-K994 WeakPolarHBondContact CG2-O 3.3Å; I805-W996 HydrophobicContact CG2-CG 4.26Å |
| 806 | Y | 72.9 | Confident | 62.3 | Low | 8 Ų | 8 | 57 Ų | 57 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 145.2 | -177.1 | -58.1 | -91.4 | 0 | 0 | 0 | 111.4 | M804 S942 R943 Y990 P993 K994 | M804-Y806 HydrophobicContact CB-CE2 4.24Å; M804-Y806 WeakPolarHBondContact O-CE2 3.31Å; Y806-S942 WeakPolarHBondContact CA-O 3.25Å; Y806-R943 HydrophobicContact CD1-CB 3.76Å; Y806-R943 HydrophobicContact CE1-CB 3.74Å; Y806-Y990 AromaticContact CD1-CD1 3.8Å; Y806-Y990 HydrophobicContact CD1-CD1 3.8Å; Y806-Y990 AromaticContact CD1-CD2 3.69Å; Y806-Y990 HydrophobicContact CD1-CD2 3.69Å; Y806-Y990 AromaticContact CD1-CE1 3.77Å; Y806-Y990 HydrophobicContact CD1-CE1 3.77Å; Y806-Y990 AromaticContact CD1-CE2 3.63Å; Y806-Y990 HydrophobicContact CD1-CE2 3.63Å; Y806-Y990 AromaticContact CD1-CG 3.76Å; Y806-Y990 HydrophobicContact CD1-CG 3.76Å; Y806-Y990 AromaticContact CD1-CZ 3.69Å; Y806-Y990 AromaticContact CE1-CD1 3.39Å; Y806-Y990 HydrophobicContact CE1-CD1 3.39Å; Y806-Y990 HydrophobicContact CE1-CD2 4.16Å; Y806-Y990 AromaticContact CE1-CE1 3.48Å; Y806-Y990 HydrophobicContact CE1-CE1 3.48Å; Y806-Y990 VanDerWaalsContact CE1-CE1 3.48Å; Y806-Y990 HydrophobicContact CE1-CE2 4.21Å; Y806-Y990 AromaticContact CE1-CG 3.75Å; Y806-Y990 HydrophobicContact CE1-CG 3.75Å; Y806-Y990 AromaticContact CE1-CZ 3.91Å; Y806-Y990 HydrophobicContact CG-CD2 4.27Å; Y806-Y990 HydrophobicContact CG-CE2 4.47Å; Y806-Y990 HydrophobicContact CG-CG 4.44Å; Y806-P993 HydrophobicContact CD2-CB 3.85Å; Y806-P993 HydrophobicContact CG-CB 4.13Å; Y806-K994 PolarHBondContact N-O 3.01Å |
| 807 | S | 72.2 | Confident | 63.3 | Low | 11 Ų | 11 | 55 Ų | 55 | 8% | 0.077 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 152.4 | 167.8 | 43.4 | 0 | 0 | 0 | 0 | 110 | F941 S942 | S807-F941 WeakPolarHBondContact O-CA 3.47Å; S807-S942 PolarHBondContact N-O 3.37Å; S807-S942 PolarHBondContact O-N 2.96Å; S807-S942 PolarHBondContact OG-OG 2.87Å |
| 808 | G | 72.4 | Confident | 64.8 | Low | 3 Ų | 3 | 49.4 Ų | 49.4 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 135.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | I940 L981 | G808-I940 CarbonylContact C-O 3.48Å; G808-I940 VanDerWaalsContact CA-O 3.31Å; G808-I940 WeakPolarHBondContact CA-O 3.24Å; G808-L981 WeakPolarHBondContact O-CB 3.45Å; G808-L981 PolarHBondContact O-N 2.56Å |
| 809 | L | 79 | Confident | 66.2 | Low | 17 Ų | 17 | 46.5 Ų | 46.5 | 9% | 0.089 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 143.9 | 171.1 | -70.5 | 162.4 | 0 | 0 | 0 | 107.9 | I940 V960 L980 | L809-I940 HydrophobicContact CB-CB 4.32Å; L809-I940 PolarHBondContact N-O 3.12Å; L809-I940 PolarHBondContact O-N 2.8Å; L809-V960 HydrophobicContact CD1-CG2 4.19Å; L809-L980 HydrophobicContact CD2-CD1 3.48Å; L809-L980 VanDerWaalsContact CD2-CD1 3.48Å; L809-L980 HydrophobicContact CD2-CG 4.35Å |
| 810 | Q | 80.3 | Confident | 67.8 | Low | 26 Ų | 26 | 40.9 Ų | 40.9 | 12% | 0.121 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 114.8 | 179 | 179.1 | 162.4 | 76.7 | 0 | 0 | 108.1 | I812 V937 D939 K979 L981 | Q810-I812 HydrophobicContact CG-CD1 4.4Å; Q810-I812 HydrophobicContact CG-CG1 3.98Å; Q810-V937 HydrophobicContact CG-CG1 3.16Å; Q810-D939 VanDerWaalsContact CG-OD1 3.24Å; Q810-D939 WeakPolarHBondContact CG-OD1 3.43Å; Q810-D939 PolarHBondContact NE2-OD1 3.31Å; Q810-K979 HydrophobicContact CB-CB 4.23Å; Q810-K979 PolarHBondContact N-O 2.87Å; Q810-K979 PolarHBondContact O-N 3.15Å; Q810-L981 HydrophobicContact CB-CD1 4.4Å; Q810-L981 HydrophobicContact CB-CD2 3.78Å; Q810-L981 HydrophobicContact CB-CG 3.99Å; Q810-L981 HydrophobicContact CG-CD2 4.5Å |
| 811 | L | 79.5 | Confident | 69.4 | Low | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 114.1 | 175.7 | -78.1 | 166 | 0 | 0 | 0 | 108.8 | F818 V937 L938 I940 I963 L976 L978 | L811-F818 HydrophobicContact CB-CE1 4.49Å; L811-F818 HydrophobicContact CB-CE2 4.38Å; L811-F818 HydrophobicContact CB-CZ 3.78Å; L811-F818 WeakPolarHBondContact O-CE2 3.31Å; L811-V937 WeakPolarHBondContact O-CG1 3.48Å; L811-L938 HydrophobicContact CB-CB 4.08Å; L811-L938 WeakPolarHBondContact CB-O 3.21Å; L811-L938 HydrophobicContact CD1-CD2 3.86Å; L811-L938 HydrophobicContact CD1-CG 4.35Å; L811-L938 PolarHBondContact N-O 3.24Å; L811-L938 PolarHBondContact O-N 2.92Å; L811-I940 HydrophobicContact CD1-CD1 3.75Å; L811-I963 HydrophobicContact CD1-CD1 4.32Å; L811-I963 HydrophobicContact CD1-CG2 4.08Å; L811-L976 HydrophobicContact CD2-CD2 4.31Å; L811-L978 HydrophobicContact CD2-CD2 3.35Å; L811-L978 HydrophobicContact CD2-CG 3.65Å; L811-L978 HydrophobicContact CG-CD2 4Å |
| 812 | I | 76 | Confident | 71 | Confident | 45 Ų | 45 | 32.3 Ų | 32.3 | 23% | 0.231 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 134.7 | 178.2 | -52.4 | 174.3 | 0 | 0 | 0 | 107.2 | Q810 V937 E977 K979 | Q810-I812 HydrophobicContact CG-CD1 4.4Å; Q810-I812 HydrophobicContact CG-CG1 3.98Å; I812-V937 HydrophobicContact CG1-CG1 4.15Å; I812-V937 HydrophobicContact CG1-CG2 4.11Å; I812-V937 HydrophobicContact CG2-CG2 4.37Å; I812-E977 HydrophobicContact CB-CB 4.32Å; I812-E977 PolarHBondContact N-O 3.3Å; I812-E977 PolarHBondContact O-N 3.31Å; I812-K979 HydrophobicContact CD1-CB 4.25Å; I812-K979 HydrophobicContact CD1-CD 4.23Å |
| 813 | T | 69.5 | Low | 72.4 | Confident | 7 Ų | 7 | 25.1 Ų | 25.1 | 4% | 0.043 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 128.3 | 172.3 | 53.3 | 0 | 0 | 0 | 0 | 108.5 | P815 G816 Q817 F818 L974 L976 | T813-P815 CarbonylContact O-C 3.59Å; T813-G816 PolarHBondContact O-N 3.39Å; T813-G816 PolarHBondContact OG1-N 3.16Å; T813-Q817 PolarHBondContact OG1-N 2.87Å; T813-F818 HydrophobicContact CG2-CD2 4.27Å; T813-F818 HydrophobicContact CG2-CE1 4.17Å; T813-F818 HydrophobicContact CG2-CE2 3.34Å; T813-F818 HydrophobicContact CG2-CZ 3.27Å; T813-F818 WeakPolarHBondContact OG1-CE2 3.45Å; T813-L974 HydrophobicContact CG2-CD2 3.32Å; T813-L974 HydrophobicContact CG2-CG 3.87Å; T813-L976 HydrophobicContact CG2-CD2 3.36Å; T813-L976 HydrophobicContact CG2-CG 4.29Å |
| 814 | S | 58 | Low | 73.6 | Confident | 80 Ų | 80 | 16.7 Ų | 16.7 | 56% | 0.559 | 10% | 0.098 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 106.6 | 158.5 | 56.3 | 0 | 0 | 0 | 0 | 105.8 | ||
| 815 | P | 57.1 | Low | 74.5 | Confident | 45 Ų | 45 | 16 Ų | 16 | 29% | 0.292 | 10% | 0.095 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -126.7 | 38.2 | 28.2 | 39.4 | -24.6 | 0 | 0 | 0 | 115.4 | D430 T813 Q817 | D430-P815 HydrophobicContact CB-CB 3.67Å; D430-P815 HydrophobicContact CB-CG 3.26Å; D430-P815 WeakPolarHBondContact OD2-CB 3.34Å; T813-P815 CarbonylContact O-C 3.59Å; P815-Q817 HydrophobicContact CG-CG 4.31Å |
| 816 | G | 57.7 | Low | 75.4 | Confident | 11 Ų | 11 | 14.8 Ų | 14.8 | 11% | 0.113 | 9% | 0.089 | C | C | . | . | trans | 77.5 | 75.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | T813 Q936 | T813-G816 PolarHBondContact O-N 3.39Å; T813-G816 PolarHBondContact OG1-N 3.16Å; G816-Q936 VanDerWaalsContact C-CB 3.41Å; G816-Q936 WeakPolarHBondContact O-CB 3.39Å; G816-Q936 VanDerWaalsContact O-CG 3.25Å; G816-Q936 WeakPolarHBondContact O-CG 3.31Å; G816-Q936 PolarHBondContact O-OE1 3.13Å | ||
| 817 | Q | 68.1 | Low | 75.9 | Confident | 4 Ų | 4 | 14.5 Ų | 14.5 | 2% | 0.019 | 9% | 0.088 | C | C | . | . | trans | -123.3 | 13.7 | -172.5 | -61.7 | -172.9 | 2.8 | 0 | 0 | 115.2 | D430 A434 T813 P815 I819 H820 L974 | D430-Q817 VanDerWaalsContact C-NE2 3.3Å; D430-Q817 PolarHBondContact O-NE2 3.37Å; A434-Q817 VanDerWaalsContact CB-NE2 3.33Å; T813-Q817 PolarHBondContact OG1-N 2.87Å; P815-Q817 HydrophobicContact CG-CG 4.31Å; Q817-I819 VanDerWaalsContact C-N 3.32Å; Q817-I819 PolarHBondContact O-N 3.36Å; Q817-H820 PolarHBondContact O-N 3.41Å; Q817-L974 HydrophobicContact CG-CD1 4.43Å | ||
| 818 | F | 75.4 | Confident | 76.5 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -65.6 | -32.8 | -170.2 | -79.1 | -71.7 | 0 | 0 | 0 | 113.9 | L811 T813 H820 L821 M822 I931 Q936 L938 I967 L976 | L811-F818 HydrophobicContact CB-CE1 4.49Å; L811-F818 HydrophobicContact CB-CE2 4.38Å; L811-F818 HydrophobicContact CB-CZ 3.78Å; L811-F818 WeakPolarHBondContact O-CE2 3.31Å; T813-F818 HydrophobicContact CG2-CD2 4.27Å; T813-F818 HydrophobicContact CG2-CE1 4.17Å; T813-F818 HydrophobicContact CG2-CE2 3.34Å; T813-F818 HydrophobicContact CG2-CZ 3.27Å; T813-F818 WeakPolarHBondContact OG1-CE2 3.45Å; F818-H820 PolarHBondContact O-N 3.41Å; F818-L821 PolarHBondContact O-N 3.05Å; F818-M822 PolarHBondContact O-N 3.25Å; F818-I931 HydrophobicContact CB-CD1 3.7Å; F818-I931 HydrophobicContact CB-CG1 3.97Å; F818-I931 HydrophobicContact CB-CG2 4.42Å; F818-I931 WeakPolarHBondContact O-CD1 3.36Å; F818-Q936 WeakPolarHBondContact CD2-O 3.22Å; F818-L938 HydrophobicContact CD1-CB 3.77Å; F818-L938 HydrophobicContact CD1-CD2 3.96Å; F818-L938 HydrophobicContact CD1-CG 4.48Å; F818-L938 HydrophobicContact CD2-CB 4.02Å; F818-L938 HydrophobicContact CE1-CB 3.81Å; F818-L938 HydrophobicContact CE1-CD2 3.85Å; F818-L938 HydrophobicContact CE2-CB 4.06Å; F818-L938 HydrophobicContact CG-CB 3.87Å; F818-L938 HydrophobicContact CZ-CB 3.96Å; F818-I967 HydrophobicContact CE1-CD1 3.72Å; F818-I967 HydrophobicContact CZ-CD1 4.39Å; F818-L976 HydrophobicContact CZ-CD2 4.01Å |
| 819 | I | 76.6 | Confident | 77 | Confident | 15 Ų | 15 | 16.3 Ų | 16.3 | 8% | 0.077 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.4 | -33.2 | -175.2 | -167.3 | 163.3 | 0 | 0 | 0 | 112.8 | Q817 E933 | Q817-I819 VanDerWaalsContact C-N 3.32Å; Q817-I819 PolarHBondContact O-N 3.36Å; I819-E933 HydrophobicContact CD1-CG 4.17Å; I819-E933 WeakPolarHBondContact CD1-OE1 3.27Å |
| 820 | H | 79 | Confident | 77 | Confident | 15 Ų | 15 | 16.6 Ų | 16.6 | 7% | 0.069 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -82 | -19 | 178 | -51.8 | -55.1 | 0 | 0 | 0 | 112.8 | Y394 Q817 F818 | Y394-H820 WeakPolarHBondContact CB-ND1 3.27Å; Y394-H820 AromaticContact CD2-CE1 3.26Å; Y394-H820 WeakPolarHBondContact CD2-CE1 3.48Å; Y394-H820 AromaticContact CD2-ND1 3.81Å; Y394-H820 AromaticContact CD2-NE2 3.46Å; Y394-H820 WeakPolarHBondContact CD2-NE2 3.39Å; Y394-H820 AromaticContact CG-CE1 3.95Å; Q817-H820 PolarHBondContact O-N 3.41Å; F818-H820 PolarHBondContact O-N 3.41Å |
| 821 | L | 83.2 | Confident | 76.8 | Confident | 3 Ų | 3 | 17.3 Ų | 17.3 | 2% | 0.016 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -91.1 | -23.5 | 178.7 | -65.6 | 170.5 | 0 | 0 | 0 | 112.6 | F818 P823 R824 I825 I967 C970 L974 | F818-L821 PolarHBondContact O-N 3.05Å; L821-P823 VanDerWaalsContact C-CD 3.47Å; L821-R824 WeakPolarHBondContact O-CB 3.5Å; L821-R824 PolarHBondContact O-N 3.39Å; L821-I825 HydrophobicContact CB-CD1 4.46Å; L821-I825 PolarHBondContact O-N 3.44Å; L821-I825 VanDerWaalsContact O-N 3.09Å; L821-I967 HydrophobicContact CD1-CG1 4.17Å; L821-C970 HydrophobicContact CD2-CB 3.62Å; L821-L974 HydrophobicContact CD1-CD2 4.44Å |
| 822 | M | 84.7 | Confident | 76.6 | Confident | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -51.9 | -44.4 | -178.7 | -175.2 | 53.6 | 81.3 | 0 | 0 | 114 | F818 R824 I825 Q826 I931 L938 | F818-M822 PolarHBondContact O-N 3.25Å; M822-R824 PolarHBondContact O-N 2.88Å; M822-I825 PolarHBondContact O-N 3.2Å; M822-Q826 HydrophobicContact CG-CG 4.2Å; M822-Q826 WeakPolarHBondContact O-CB 3.22Å; M822-Q826 VanDerWaalsContact O-CG 3.29Å; M822-Q826 WeakPolarHBondContact O-CG 3.49Å; M822-Q826 PolarHBondContact O-N 3.32Å; M822-Q826 HydrophobicContact SD-CG 3.82Å; M822-I931 HydrophobicContact CB-CD1 3.58Å; M822-I931 HydrophobicContact CE-CB 4.49Å; M822-I931 HydrophobicContact CE-CD1 3.24Å; M822-I931 HydrophobicContact CE-CG1 3.4Å; M822-I931 HydrophobicContact CG-CD1 3.97Å; M822-I931 HydrophobicContact SD-CD1 4.36Å; M822-L938 HydrophobicContact CE-CD1 3.74Å |
| 823 | P | 83.6 | Confident | 76.4 | Confident | 3 Ų | 3 | 19.7 Ų | 19.7 | 2% | 0.019 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -57.2 | -38.5 | 177.8 | -25.2 | 35.2 | 0 | 0 | 0 | 112.8 | P782 R783 L821 Q826 V827 | P782-P823 HydrophobicContact CB-CB 4.5Å; R783-P823 HydrophobicContact CB-CB 4.02Å; R783-P823 HydrophobicContact CB-CG 3.65Å; R783-P823 HydrophobicContact CG-CG 4.16Å; L821-P823 VanDerWaalsContact C-CD 3.47Å; P823-Q826 WeakPolarHBondContact O-CB 3.49Å; P823-Q826 PolarHBondContact O-N 3.18Å; P823-V827 VanDerWaalsContact O-CG2 3.26Å; P823-V827 WeakPolarHBondContact O-CG2 3.43Å; P823-V827 PolarHBondContact O-N 3.41Å |
| 824 | R | 85.9 | Confident | 76.3 | Confident | 15 Ų | 15 | 19.6 Ų | 19.6 | 6% | 0.057 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -72.6 | -40.6 | 179.4 | -62.3 | -172.1 | 178.6 | -161.9 | 3.5 | 112.4 | C395 D398 H399 F680 L821 M822 Q826 V827 Q828 V966 C970 | C395-R824 PolarHBondContact O-NE 3.18Å; C395-R824 PolarHBondContact O-NH2 3.34Å; D398-R824 IonicContact OD1-CZ 2.7Å; D398-R824 IonicContact OD1-NH1 2.96Å; D398-R824 IonicContact OD1-NH2 3.59Å; D398-R824 PolarHBondContact OD1-NH2 3.42Å; D398-R824 IonicContact OD2-CZ 2.77Å; D398-R824 IonicContact OD2-NH1 3.74Å; D398-R824 PolarHBondContact OD2-NH1 2.95Å; D398-R824 IonicContact OD2-NH2 3.62Å; D398-R824 PolarHBondContact OD2-NH2 3.33Å; H399-R824 PolarHBondContact CD2-NH2 2.87Å; H399-R824 PolarHBondContact NE2-NH2 2.57Å; F680-R824 PolarHBondContact O-NE 3.34Å; L821-R824 WeakPolarHBondContact O-CB 3.5Å; L821-R824 PolarHBondContact O-N 3.39Å; M822-R824 PolarHBondContact O-N 2.88Å; R824-Q826 PolarHBondContact O-N 3.27Å; R824-V827 PolarHBondContact O-N 2.96Å; R824-Q828 WeakPolarHBondContact O-CB 3.39Å; R824-Q828 PolarHBondContact O-N 3.42Å; R824-V966 HydrophobicContact CB-CG1 3.69Å; R824-C970 WeakPolarHBondContact CD-SG 3.43Å; R824-C970 PolarHBondContact NH1-SG 3.34Å |
| 825 | I | 85.9 | Confident | 76.6 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -58 | -45 | 172.9 | -64.9 | 169.1 | 0 | 0 | 0 | 109 | L821 M822 Q828 L829 L938 I963 V966 | L821-I825 HydrophobicContact CB-CD1 4.46Å; L821-I825 PolarHBondContact O-N 3.44Å; L821-I825 VanDerWaalsContact O-N 3.09Å; M822-I825 PolarHBondContact O-N 3.2Å; I825-Q828 PolarHBondContact O-N 3.27Å; I825-L829 HydrophobicContact CG2-CD1 3.84Å; I825-L829 HydrophobicContact CG2-CG 4.27Å; I825-L829 WeakPolarHBondContact O-CB 3.5Å; I825-L829 VanDerWaalsContact O-CG 3.24Å; I825-L829 WeakPolarHBondContact O-CG 3.17Å; I825-L829 PolarHBondContact O-N 3.07Å; I825-L938 HydrophobicContact CD1-CD2 4.35Å; I825-I963 HydrophobicContact CD1-CG1 4.31Å; I825-I963 HydrophobicContact CD1-CG2 4.05Å; I825-I963 HydrophobicContact CG1-CG1 4.43Å; I825-I963 HydrophobicContact CG2-CG1 3.82Å; I825-V966 HydrophobicContact CG1-CB 4.35Å; I825-V966 HydrophobicContact CG1-CG1 4.02Å |
| 826 | Q | 85.9 | Confident | 76.9 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.9 | -45 | 179.4 | -76.3 | 171.9 | -31.6 | 0 | 0 | 113.2 | P782 M822 P823 R824 R830 Q911 W912 G915 S916 | P782-Q826 HydrophobicContact CB-CB 3.81Å; P782-Q826 HydrophobicContact CB-CG 4.43Å; P782-Q826 HydrophobicContact CG-CB 3.9Å; M822-Q826 HydrophobicContact CG-CG 4.2Å; M822-Q826 WeakPolarHBondContact O-CB 3.22Å; M822-Q826 VanDerWaalsContact O-CG 3.29Å; M822-Q826 WeakPolarHBondContact O-CG 3.49Å; M822-Q826 PolarHBondContact O-N 3.32Å; M822-Q826 HydrophobicContact SD-CG 3.82Å; P823-Q826 WeakPolarHBondContact O-CB 3.49Å; P823-Q826 PolarHBondContact O-N 3.18Å; R824-Q826 PolarHBondContact O-N 3.27Å; Q826-R830 WeakPolarHBondContact O-CB 3.39Å; Q826-R830 PolarHBondContact O-N 3.35Å; Q826-R830 VanDerWaalsContact O-N 3.07Å; Q826-Q911 VanDerWaalsContact CA-NE2 3.27Å; Q826-Q911 VanDerWaalsContact CB-NE2 3.28Å; Q826-Q911 PolarHBondContact O-NE2 2.73Å; Q826-W912 PolarHBondContact NE2-O 3.25Å; Q826-G915 PolarHBondContact NE2-O 3.37Å; Q826-S916 WeakPolarHBondContact CG-OG 3.06Å |
| 827 | V | 84.5 | Confident | 76.8 | Confident | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.012 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -58.4 | -48.5 | 174.1 | 163.5 | 0 | 0 | 0 | 0 | 110.1 | G681 V684 P782 P823 R824 R830 R831 | G681-V827 WeakPolarHBondContact O-CG2 2.94Å; V684-V827 HydrophobicContact CG2-CB 3.81Å; V684-V827 HydrophobicContact CG2-CG1 3.3Å; V684-V827 HydrophobicContact CG2-CG2 3.94Å; P782-V827 HydrophobicContact CG-CG2 3.87Å; P823-V827 VanDerWaalsContact O-CG2 3.26Å; P823-V827 WeakPolarHBondContact O-CG2 3.43Å; P823-V827 PolarHBondContact O-N 3.41Å; R824-V827 PolarHBondContact O-N 2.96Å; V827-R830 PolarHBondContact O-N 2.94Å; V827-R831 PolarHBondContact O-N 3.13Å; V827-R831 VanDerWaalsContact O-N 3.11Å |
| 828 | Q | 83.6 | Confident | 76 | Confident | 45 Ų | 45 | 24.8 Ų | 24.8 | 21% | 0.21 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -68.5 | -40.9 | -177 | -168.4 | 62.1 | 17.1 | 0 | 0 | 112.3 | R824 I825 R830 R831 E832 L962 V966 | R824-Q828 WeakPolarHBondContact O-CB 3.39Å; R824-Q828 PolarHBondContact O-N 3.42Å; I825-Q828 PolarHBondContact O-N 3.27Å; Q828-R830 VanDerWaalsContact C-N 3.28Å; Q828-R830 PolarHBondContact O-N 3.25Å; Q828-R831 PolarHBondContact O-N 3.28Å; Q828-E832 PolarHBondContact NE2-OE1 2.94Å; Q828-E832 PolarHBondContact O-N 3.42Å; Q828-E832 VanDerWaalsContact O-N 3.09Å; Q828-L962 HydrophobicContact CB-CD1 4.4Å; Q828-L962 HydrophobicContact CB-CD2 4Å; Q828-L962 HydrophobicContact CB-CG 4.3Å; Q828-L962 HydrophobicContact CG-CD1 3.69Å; Q828-L962 HydrophobicContact CG-CD2 3.94Å; Q828-L962 HydrophobicContact CG-CG 3.67Å; Q828-V966 HydrophobicContact CB-CG2 3.98Å; Q828-V966 HydrophobicContact CG-CG2 4.12Å |
| 829 | L | 82.9 | Confident | 75 | Confident | 6 Ų | 6 | 31.3 Ų | 31.3 | 3% | 0.031 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.8 | -41.7 | 173.3 | -77 | 172.9 | 0 | 0 | 0 | 111.9 | I825 E832 I833 I918 L929 T959 L962 | I825-L829 HydrophobicContact CG2-CD1 3.84Å; I825-L829 HydrophobicContact CG2-CG 4.27Å; I825-L829 WeakPolarHBondContact O-CB 3.5Å; I825-L829 VanDerWaalsContact O-CG 3.24Å; I825-L829 WeakPolarHBondContact O-CG 3.17Å; I825-L829 PolarHBondContact O-N 3.07Å; L829-E832 PolarHBondContact O-N 2.92Å; L829-I833 WeakPolarHBondContact O-CG1 3.5Å; L829-I833 PolarHBondContact O-N 3.34Å; L829-I833 VanDerWaalsContact O-N 3.11Å; L829-I918 HydrophobicContact CD2-CD1 4.19Å; L829-L929 HydrophobicContact CD1-CD1 3.83Å; L829-T959 HydrophobicContact CD2-CG2 4.21Å; L829-L962 HydrophobicContact CD2-CD1 4.25Å; L829-L962 HydrophobicContact CD2-CD2 3.85Å; L829-L962 HydrophobicContact CG-CD2 3.86Å |
| 830 | R | 80.3 | Confident | 73.8 | Confident | 23 Ų | 23 | 33.7 Ų | 33.7 | 9% | 0.087 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.8 | -39.3 | 179.6 | -176.3 | 157.5 | -81.5 | -119.8 | 10 | 112.1 | V684 T759 V761 E780 Q826 V827 Q828 S834 L909 | V684-R830 HydrophobicContact CG1-CG 4.32Å; T759-R830 PolarHBondContact OG1-NH1 3.01Å; T759-R830 VanDerWaalsContact OG1-NH1 3.12Å; V761-R830 HydrophobicContact CG2-CG 3.72Å; E780-R830 IonicContact OE1-CZ 2.89Å; E780-R830 IonicContact OE1-NH1 3.63Å; E780-R830 PolarHBondContact OE1-NH1 3.28Å; E780-R830 IonicContact OE1-NH2 2.72Å; E780-R830 WeakPolarHBondContact OE2-CD 3.35Å; E780-R830 IonicContact OE2-CZ 3.32Å; E780-R830 IonicContact OE2-NE 3.33Å; E780-R830 PolarHBondContact OE2-NE 2.87Å; E780-R830 IonicContact OE2-NH1 2.87Å; E780-R830 PolarHBondContact OE2-NH1 3.16Å; E780-R830 IonicContact OE2-NH2 3.56Å; E780-R830 PolarHBondContact OE2-NH2 3.44Å; Q826-R830 WeakPolarHBondContact O-CB 3.39Å; Q826-R830 PolarHBondContact O-N 3.35Å; Q826-R830 VanDerWaalsContact O-N 3.07Å; V827-R830 PolarHBondContact O-N 2.94Å; Q828-R830 VanDerWaalsContact C-N 3.28Å; Q828-R830 PolarHBondContact O-N 3.25Å; R830-S834 PolarHBondContact O-N 2.74Å; R830-S834 VanDerWaalsContact O-N 3.16Å; R830-L909 HydrophobicContact CB-CD2 3.79Å; R830-L909 HydrophobicContact CG-CD2 4.15Å |
| 831 | R | 76 | Confident | 72.2 | Confident | 41 Ų | 41 | 36.6 Ų | 36.6 | 16% | 0.155 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.9 | -49.5 | 173.7 | -75.8 | 178.1 | 169.6 | 164.3 | -7.7 | 112.6 | E678 V684 V761 V827 Q828 I833 S834 M835 | E678-R831 VanDerWaalsContact CD-NH2 3.27Å; E678-R831 IonicContact OE1-CZ 2.66Å; E678-R831 IonicContact OE1-NE 3.56Å; E678-R831 IonicContact OE1-NH2 2.87Å; E678-R831 PolarHBondContact OE1-NH2 3.11Å; V684-R831 HydrophobicContact CG2-CG 4.41Å; V761-R831 HydrophobicContact CG1-CG 4.44Å; V827-R831 PolarHBondContact O-N 3.13Å; V827-R831 VanDerWaalsContact O-N 3.11Å; Q828-R831 PolarHBondContact O-N 3.28Å; R831-I833 PolarHBondContact O-N 2.74Å; R831-S834 PolarHBondContact O-N 3.09Å; R831-M835 WeakPolarHBondContact O-CG 3.47Å; R831-M835 PolarHBondContact O-N 2.79Å |
| 832 | E | 75.4 | Confident | 70.3 | Confident | 76 Ų | 76 | 40.3 Ų | 40.3 | 36% | 0.355 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61.6 | -43.5 | -179.1 | -72.4 | -51.8 | 145.9 | 0 | 0 | 112.4 | Q828 L829 S834 M835 N836 L962 | Q828-E832 PolarHBondContact NE2-OE1 2.94Å; Q828-E832 PolarHBondContact O-N 3.42Å; Q828-E832 VanDerWaalsContact O-N 3.09Å; L829-E832 PolarHBondContact O-N 2.92Å; E832-S834 VanDerWaalsContact C-N 3.27Å; E832-S834 PolarHBondContact O-N 3.32Å; E832-M835 PolarHBondContact O-N 3.39Å; E832-N836 WeakPolarHBondContact O-CB 3.49Å; E832-N836 PolarHBondContact O-N 2.89Å; E832-L962 HydrophobicContact CB-CD1 4.22Å; E832-L962 HydrophobicContact CG-CD1 3.34Å |
| 833 | I | 71.4 | Confident | 68.8 | Low | 22 Ų | 22 | 46.8 Ų | 46.8 | 11% | 0.113 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63 | -36.9 | 178.3 | -70.4 | 172 | 0 | 0 | 0 | 111 | L829 R831 R837 W907 L909 I918 | L829-I833 WeakPolarHBondContact O-CG1 3.5Å; L829-I833 PolarHBondContact O-N 3.34Å; L829-I833 VanDerWaalsContact O-N 3.11Å; R831-I833 PolarHBondContact O-N 2.74Å; I833-R837 PolarHBondContact O-N 3.43Å; I833-W907 HydrophobicContact CG2-CB 4.19Å; I833-L909 HydrophobicContact CD1-CB 3.98Å; I833-L909 HydrophobicContact CD1-CD1 3.94Å; I833-L909 HydrophobicContact CD1-CD2 4.08Å; I833-L909 HydrophobicContact CD1-CG 4.21Å; I833-I918 HydrophobicContact CD1-CD1 4.28Å; I833-I918 HydrophobicContact CD1-CG1 4.12Å; I833-I918 HydrophobicContact CD1-CG2 4.16Å |
| 834 | S | 66.3 | Low | 67 | Low | 5 Ų | 5 | 52 Ų | 52 | 4% | 0.035 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -70.5 | -42.8 | 174.8 | -171.8 | 0 | 0 | 0 | 0 | 113.1 | V761 R830 R831 E832 N836 R837 K838 | V761-S834 WeakPolarHBondContact CA-OG 3.25Å; V761-S834 VanDerWaalsContact CB-CB 3.42Å; V761-S834 VanDerWaalsContact CB-OG 3.32Å; V761-S834 WeakPolarHBondContact CB-OG 3.46Å; V761-S834 PolarHBondContact N-OG 3.42Å; V761-S834 PolarHBondContact O-OG 2.77Å; V761-S834 VanDerWaalsContact O-OG 3.13Å; R830-S834 PolarHBondContact O-N 2.74Å; R830-S834 VanDerWaalsContact O-N 3.16Å; R831-S834 PolarHBondContact O-N 3.09Å; E832-S834 VanDerWaalsContact C-N 3.27Å; E832-S834 PolarHBondContact O-N 3.32Å; S834-N836 VanDerWaalsContact C-N 3.31Å; S834-N836 PolarHBondContact O-N 3.16Å; S834-R837 WeakPolarHBondContact O-CA 3.23Å; S834-R837 WeakPolarHBondContact O-CB 3.37Å; S834-R837 PolarHBondContact O-N 3.34Å; S834-K838 PolarHBondContact O-N 2.91Å |
| 835 | M | 64.8 | Low | 64.7 | Low | 88 Ų | 88 | 54.5 Ų | 54.5 | 43% | 0.433 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.4 | -41 | 177 | -77.3 | -78.2 | -101.1 | 0 | 0 | 111.6 | R831 E832 R837 K838 K839 | R831-M835 WeakPolarHBondContact O-CG 3.47Å; R831-M835 PolarHBondContact O-N 2.79Å; E832-M835 PolarHBondContact O-N 3.39Å; M835-R837 VanDerWaalsContact C-N 3.31Å; M835-R837 PolarHBondContact O-N 3.34Å; M835-K838 WeakPolarHBondContact O-CB 3.46Å; M835-K838 PolarHBondContact O-N 2.89Å; M835-K838 VanDerWaalsContact O-N 3.13Å; M835-K839 PolarHBondContact O-N 3.2Å |
| 836 | N | 63.4 | Low | 62.7 | Low | 64 Ų | 64 | 57 Ų | 57 | 34% | 0.342 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.5 | -36.9 | 173.7 | -80.6 | -24.7 | 0 | 0 | 0 | 112.4 | E832 S834 L840 | E832-N836 WeakPolarHBondContact O-CB 3.49Å; E832-N836 PolarHBondContact O-N 2.89Å; S834-N836 VanDerWaalsContact C-N 3.31Å; S834-N836 PolarHBondContact O-N 3.16Å; N836-L840 WeakPolarHBondContact O-CB 3.44Å; N836-L840 PolarHBondContact O-N 3Å; N836-L840 VanDerWaalsContact O-N 3.09Å |
| 837 | R | 55.8 | Low | 60.8 | Low | 44 Ų | 44 | 60.9 Ų | 60.9 | 17% | 0.166 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.5 | -44 | 170.7 | -74.9 | 179.3 | 173 | -178.7 | -2.1 | 111.6 | T759 I833 S834 M835 L840 I841 W907 | T759-R837 PolarHBondContact O-NH1 3.31Å; I833-R837 PolarHBondContact O-N 3.43Å; S834-R837 WeakPolarHBondContact O-CA 3.23Å; S834-R837 WeakPolarHBondContact O-CB 3.37Å; S834-R837 PolarHBondContact O-N 3.34Å; M835-R837 VanDerWaalsContact C-N 3.31Å; M835-R837 PolarHBondContact O-N 3.34Å; R837-L840 PolarHBondContact O-N 3.43Å; R837-I841 VanDerWaalsContact O-CG1 3.27Å; R837-I841 WeakPolarHBondContact O-CG1 3.48Å; R837-I841 PolarHBondContact O-N 3.32Å; R837-W907 PolarHBondContact NH2-O 3.2Å |
| 838 | K | 51.5 | Low | 58.8 | Low | 53 Ų | 53 | 66.8 Ų | 66.8 | 23% | 0.23 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.6 | -50 | 177 | -75.9 | -175.5 | 178.8 | 178.4 | 0 | 112 | S834 M835 L840 I841 Q842 | S834-K838 PolarHBondContact O-N 2.91Å; M835-K838 WeakPolarHBondContact O-CB 3.46Å; M835-K838 PolarHBondContact O-N 2.89Å; M835-K838 VanDerWaalsContact O-N 3.13Å; K838-L840 VanDerWaalsContact C-N 3.29Å; K838-L840 PolarHBondContact O-N 2.99Å; K838-I841 PolarHBondContact O-N 2.9Å; K838-I841 VanDerWaalsContact O-N 3.15Å; K838-Q842 WeakPolarHBondContact O-CG 3.24Å; K838-Q842 PolarHBondContact O-N 2.49Å |
| 839 | K | 55 | Low | 56.4 | Low | 136 Ų | 136 | 70.4 Ų | 70.4 | 59% | 0.591 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -57.5 | -40.9 | 176.4 | -74.6 | -178.6 | 179.5 | 173.7 | 0 | 112.1 | M835 K843 | M835-K839 PolarHBondContact O-N 3.2Å; K839-K843 WeakPolarHBondContact O-CB 3.23Å; K839-K843 PolarHBondContact O-N 3.35Å |
| 840 | L | 50 | Low | 54.3 | Low | 65 Ų | 65 | 74.2 Ų | 74.2 | 34% | 0.34 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.1 | -41.3 | 177.2 | -174.8 | 70.9 | 0 | 0 | 0 | 112.3 | N836 R837 K838 K843 K844 | N836-L840 WeakPolarHBondContact O-CB 3.44Å; N836-L840 PolarHBondContact O-N 3Å; N836-L840 VanDerWaalsContact O-N 3.09Å; R837-L840 PolarHBondContact O-N 3.43Å; K838-L840 VanDerWaalsContact C-N 3.29Å; K838-L840 PolarHBondContact O-N 2.99Å; L840-K843 PolarHBondContact O-N 3.02Å; L840-K844 WeakPolarHBondContact O-CG 3.08Å; L840-K844 PolarHBondContact O-N 3.01Å |
| 841 | I | 45.9 | Very low | 52.4 | Low | 76 Ų | 76 | 81.6 Ų | 81.6 | 39% | 0.39 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.6 | -47.9 | 176.6 | -69 | 164.5 | 0 | 0 | 0 | 109.9 | R837 K838 K843 K844 L845 L876 | R837-I841 VanDerWaalsContact O-CG1 3.27Å; R837-I841 WeakPolarHBondContact O-CG1 3.48Å; R837-I841 PolarHBondContact O-N 3.32Å; K838-I841 PolarHBondContact O-N 2.9Å; K838-I841 VanDerWaalsContact O-N 3.15Å; I841-K843 VanDerWaalsContact C-N 3.33Å; I841-K843 PolarHBondContact O-N 3.46Å; I841-K844 PolarHBondContact O-N 3.39Å; I841-K844 VanDerWaalsContact O-N 3.14Å; I841-L845 HydrophobicContact CG2-CD1 3.83Å; I841-L845 HydrophobicContact CG2-CG 4.47Å; I841-L845 WeakPolarHBondContact O-CG 3.35Å; I841-L845 PolarHBondContact O-N 2.91Å; I841-L876 HydrophobicContact CG2-CD2 4.5Å |
| 842 | Q | 44.3 | Very low | 50.3 | Low | 82 Ų | 82 | 85.7 Ų | 85.7 | 38% | 0.383 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -56.2 | -46.3 | 175.1 | -76.2 | 175.4 | -20.6 | 0 | 0 | 111.5 | K838 K844 L845 S846 L876 | K838-Q842 WeakPolarHBondContact O-CG 3.24Å; K838-Q842 PolarHBondContact O-N 2.49Å; Q842-K844 VanDerWaalsContact C-N 3.34Å; Q842-K844 PolarHBondContact O-N 3.08Å; Q842-L845 PolarHBondContact O-N 3.35Å; Q842-S846 WeakPolarHBondContact O-CB 3.46Å; Q842-S846 PolarHBondContact O-N 3.43Å; Q842-S846 PolarHBondContact O-OG 3.03Å; Q842-L876 HydrophobicContact CG-CD1 3.97Å |
| 843 | K | 51.9 | Low | 48.3 | Very low | 136 Ų | 136 | 86.5 Ų | 86.5 | 59% | 0.591 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -66.2 | -33.1 | 178 | -167.5 | 171.1 | -174.5 | 169.8 | 0 | 113.1 | K839 L840 I841 S846 N847 | K839-K843 WeakPolarHBondContact O-CB 3.23Å; K839-K843 PolarHBondContact O-N 3.35Å; L840-K843 PolarHBondContact O-N 3.02Å; I841-K843 VanDerWaalsContact C-N 3.33Å; I841-K843 PolarHBondContact O-N 3.46Å; K843-S846 WeakPolarHBondContact CA-OG 3.39Å; K843-S846 PolarHBondContact O-OG 3.28Å; K843-S846 VanDerWaalsContact O-OG 3.11Å; K843-N847 VanDerWaalsContact O-CB 3.31Å; K843-N847 WeakPolarHBondContact O-CB 3.46Å; K843-N847 PolarHBondContact O-N 3.19Å; K843-N847 VanDerWaalsContact O-N 3.11Å; K843-N847 PolarHBondContact O-ND2 3.45Å |
| 844 | K | 46 | Very low | 46.5 | Very low | 113 Ų | 113 | 92.8 Ų | 92.8 | 49% | 0.491 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -69.9 | -40.4 | 174.1 | -81 | -175.4 | 177.7 | -178.2 | 0 | 111.5 | L840 I841 Q842 Q848 | L840-K844 WeakPolarHBondContact O-CG 3.08Å; L840-K844 PolarHBondContact O-N 3.01Å; I841-K844 PolarHBondContact O-N 3.39Å; I841-K844 VanDerWaalsContact O-N 3.14Å; Q842-K844 VanDerWaalsContact C-N 3.34Å; Q842-K844 PolarHBondContact O-N 3.08Å; K844-Q848 WeakPolarHBondContact O-CG 3.06Å; K844-Q848 PolarHBondContact O-N 3.45Å; K844-Q848 VanDerWaalsContact O-N 3.14Å |
| 845 | L | 38.1 | Very low | 44.8 | Very low | 68 Ų | 68 | 101.7 Ų | 101.7 | 36% | 0.356 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69 | -43.4 | 176.6 | -72.3 | 167.9 | 0 | 0 | 0 | 111.5 | I841 Q842 N847 Q848 F849 L876 | I841-L845 HydrophobicContact CG2-CD1 3.83Å; I841-L845 HydrophobicContact CG2-CG 4.47Å; I841-L845 WeakPolarHBondContact O-CG 3.35Å; I841-L845 PolarHBondContact O-N 2.91Å; Q842-L845 PolarHBondContact O-N 3.35Å; L845-N847 PolarHBondContact O-N 2.83Å; L845-Q848 WeakPolarHBondContact O-CA 3.48Å; L845-Q848 WeakPolarHBondContact O-CB 3.28Å; L845-Q848 PolarHBondContact O-N 3.41Å; L845-F849 WeakPolarHBondContact O-CD2 3.3Å; L845-F849 PolarHBondContact O-N 2.94Å; L845-L876 HydrophobicContact CD1-CD2 4.49Å |
| 846 | S | 44.5 | Very low | 43 | Very low | 52 Ų | 52 | 99.6 Ų | 99.6 | 36% | 0.364 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.2 | -45 | 176.3 | 75 | 0 | 0 | 0 | 0 | 111.2 | Q842 K843 Q848 F849 D850 | Q842-S846 WeakPolarHBondContact O-CB 3.46Å; Q842-S846 PolarHBondContact O-N 3.43Å; Q842-S846 PolarHBondContact O-OG 3.03Å; K843-S846 WeakPolarHBondContact CA-OG 3.39Å; K843-S846 PolarHBondContact O-OG 3.28Å; K843-S846 VanDerWaalsContact O-OG 3.11Å; S846-Q848 PolarHBondContact O-N 3.06Å; S846-F849 PolarHBondContact O-N 3.31Å; S846-F849 VanDerWaalsContact O-N 3.1Å; S846-D850 WeakPolarHBondContact O-CB 3.48Å; S846-D850 PolarHBondContact O-N 2.82Å |
| 847 | N | 45.4 | Very low | 41.4 | Very low | 82 Ų | 82 | 107 Ų | 107 | 44% | 0.439 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.9 | -23.8 | 175.4 | -74 | -32.7 | 0 | 0 | 0 | 113.4 | K843 L845 R851 | K843-N847 VanDerWaalsContact O-CB 3.31Å; K843-N847 WeakPolarHBondContact O-CB 3.46Å; K843-N847 PolarHBondContact O-N 3.19Å; K843-N847 VanDerWaalsContact O-N 3.11Å; K843-N847 PolarHBondContact O-ND2 3.45Å; L845-N847 PolarHBondContact O-N 2.83Å; N847-R851 WeakPolarHBondContact O-CD 3.3Å; N847-R851 VanDerWaalsContact O-CG 3.28Å; N847-R851 WeakPolarHBondContact O-CG 3.49Å |
| 848 | Q | 41.4 | Very low | 39.9 | Very low | 126 Ų | 126 | 113.5 Ų | 113.5 | 59% | 0.589 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -79.3 | -39.1 | 171.8 | -80.4 | -174.4 | -20.3 | 0 | 0 | 111.5 | K844 L845 S846 R851 L852 | K844-Q848 WeakPolarHBondContact O-CG 3.06Å; K844-Q848 PolarHBondContact O-N 3.45Å; K844-Q848 VanDerWaalsContact O-N 3.14Å; L845-Q848 WeakPolarHBondContact O-CA 3.48Å; L845-Q848 WeakPolarHBondContact O-CB 3.28Å; L845-Q848 PolarHBondContact O-N 3.41Å; S846-Q848 PolarHBondContact O-N 3.06Å; Q848-R851 PolarHBondContact O-N 2.91Å; Q848-L852 WeakPolarHBondContact O-CG 3.42Å; Q848-L852 PolarHBondContact O-N 3.44Å |
| 849 | F | 34.8 | Very low | 38.7 | Very low | 120 Ų | 120 | 117.8 Ų | 117.8 | 53% | 0.526 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.3 | -42.6 | 174.1 | -93.8 | -79.6 | 0 | 0 | 0 | 112.6 | L845 S846 R851 L852 T853 | L845-F849 WeakPolarHBondContact O-CD2 3.3Å; L845-F849 PolarHBondContact O-N 2.94Å; S846-F849 PolarHBondContact O-N 3.31Å; S846-F849 VanDerWaalsContact O-N 3.1Å; F849-R851 PolarHBondContact O-N 3.15Å; F849-L852 WeakPolarHBondContact O-CA 3.42Å; F849-L852 WeakPolarHBondContact O-CB 3.44Å; F849-L852 PolarHBondContact O-N 2.93Å; F849-T853 PolarHBondContact O-N 3.44Å; F849-T853 PolarHBondContact O-OG1 2.88Å |
| 850 | D | 37.7 | Very low | 37.3 | Very low | 87 Ų | 87 | 114.6 Ų | 114.6 | 47% | 0.465 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62 | -29.9 | 175.8 | -70 | -25.5 | 0 | 0 | 0 | 112.2 | S846 L852 T853 L854 | S846-D850 WeakPolarHBondContact O-CB 3.48Å; S846-D850 PolarHBondContact O-N 2.82Å; D850-L852 VanDerWaalsContact C-N 3.35Å; D850-T853 WeakPolarHBondContact CA-OG1 3.23Å; D850-T853 PolarHBondContact O-OG1 3.12Å; D850-L854 WeakPolarHBondContact O-CD1 3.27Å; D850-L854 PolarHBondContact O-N 3.47Å |
| 851 | R | 40.7 | Very low | 36.1 | Very low | 177 Ų | 177 | 119.7 Ų | 119.7 | 67% | 0.668 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -76.4 | -21.6 | 173.4 | -77.3 | 177.7 | 178.7 | -162.8 | -1.9 | 113.4 | N847 Q848 F849 | N847-R851 WeakPolarHBondContact O-CD 3.3Å; N847-R851 VanDerWaalsContact O-CG 3.28Å; N847-R851 WeakPolarHBondContact O-CG 3.49Å; Q848-R851 PolarHBondContact O-N 2.91Å; F849-R851 PolarHBondContact O-N 3.15Å |
| 852 | L | 31.5 | Very low | 35.2 | Very low | 128 Ų | 128 | 124.5 Ų | 124.5 | 67% | 0.67 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -87.1 | -34 | 176 | -72 | 166 | 0 | 0 | 0 | 111.5 | Q848 F849 D850 | Q848-L852 WeakPolarHBondContact O-CG 3.42Å; Q848-L852 PolarHBondContact O-N 3.44Å; F849-L852 WeakPolarHBondContact O-CA 3.42Å; F849-L852 WeakPolarHBondContact O-CB 3.44Å; F849-L852 PolarHBondContact O-N 2.93Å; D850-L852 VanDerWaalsContact C-N 3.35Å |
| 853 | T | 33.8 | Very low | 34.3 | Very low | 92 Ų | 92 | 127.6 Ų | 127.6 | 56% | 0.564 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -75 | -28.8 | 178 | 49.9 | 0 | 0 | 0 | 0 | 113.3 | F849 D850 K855 | F849-T853 PolarHBondContact O-N 3.44Å; F849-T853 PolarHBondContact O-OG1 2.88Å; D850-T853 WeakPolarHBondContact CA-OG1 3.23Å; D850-T853 PolarHBondContact O-OG1 3.12Å; T853-K855 PolarHBondContact O-N 3.2Å; T853-K855 VanDerWaalsContact O-N 3.17Å |
| 854 | L | 33.7 | Very low | 33.1 | Very low | 154 Ų | 154 | 127.6 Ų | 127.6 | 81% | 0.806 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | 3.6 | 176.6 | -82.7 | 162.4 | 0 | 0 | 0 | 115.3 | D850 | D850-L854 WeakPolarHBondContact O-CD1 3.27Å; D850-L854 PolarHBondContact O-N 3.47Å |
| 855 | K | 31.4 | Very low | 32.1 | Very low | 192 Ų | 192 | 129.6 Ų | 129.6 | 84% | 0.835 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.4 | 9.1 | 176.3 | -85.4 | -169 | 174.8 | -172.4 | 0 | 115.2 | T853 | T853-K855 PolarHBondContact O-N 3.2Å; T853-K855 VanDerWaalsContact O-N 3.17Å |
| 856 | G | 26.7 | Very low | 31.5 | Very low | 45 Ų | 45 | 133.9 Ų | 133.9 | 46% | 0.464 | 69% | 0.689 | S | S | . | * | S | Bend | trans | -130.9 | 132.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 857 | Y | 28.6 | Very low | 30.7 | Very low | 218 Ų | 218 | 138.4 Ų | 138.4 | 86% | 0.855 | 70% | 0.704 | S | S | * | * | trans | 98 | 83.7 | 167.3 | -64.8 | -85.1 | 0 | 0 | 0 | 118.7 | N859 | Y857-N859 WeakPolarHBondContact CD1-O 3.26Š| ||
| 858 | H | 25 | Very low | 29.7 | Very low | 181 Ų | 181 | 142.2 Ų | 142.2 | 84% | 0.838 | 72% | 0.717 | S | S | * | * | S | Bend | -71.6 | 143.3 | 118.3 | -95.4 | -67.2 | 0 | 0 | 0 | 109.2 | |||
| 859 | N | 26.5 | Very low | 29.1 | Very low | 144 Ų | 144 | 147 Ų | 147 | 77% | 0.77 | 73% | 0.731 | S | S | * | * | S | Bend | trans | 91.9 | 127 | 173.3 | -60.2 | -13.5 | 0 | 0 | 0 | 115.9 | Y857 | Y857-N859 WeakPolarHBondContact CD1-O 3.26Š|
| 860 | G | 24.8 | Very low | 28.8 | Very low | 69 Ų | 69 | 146.3 Ų | 146.3 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | trans | -95.3 | 163.4 | -161.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 861 | N | 26 | Very low | 28.3 | Very low | 171 Ų | 171 | 145.9 Ų | 145.9 | 91% | 0.914 | 73% | 0.734 | S | S | * | * | -168.2 | 147 | 122.1 | -103.5 | -19.2 | 0 | 0 | 0 | 109.7 | |||||
| 862 | Q | 26.7 | Very low | 27.7 | Very low | 178 Ų | 178 | 141.4 Ų | 141.4 | 83% | 0.832 | 73% | 0.73 | S | S | * | * | trans | -61.9 | 157.9 | 175.6 | -67.8 | 175.2 | -18.8 | 0 | 0 | 111.5 | ||||
| 863 | N | 25.1 | Very low | 27.6 | Very low | 147 Ų | 147 | 141.4 Ų | 141.4 | 79% | 0.786 | 73% | 0.726 | S | S | * | * | trans | 88.9 | 88.2 | 178.9 | -56.5 | -24.3 | 0 | 0 | 0 | 115.2 | ||||
| 864 | I | 26.6 | Very low | 27.2 | Very low | 135 Ų | 135 | 142.9 Ų | 142.9 | 69% | 0.692 | 73% | 0.73 | S | S | * | * | trans | -169.8 | 91.5 | 131.2 | -78.4 | 133.6 | 0 | 0 | 0 | 105.8 | ||||
| 865 | N | 24.7 | Very low | 27 | Very low | 156 Ų | 156 | 143 Ų | 143 | 83% | 0.834 | 72% | 0.721 | S | S | * | * | trans | -121.2 | 100.5 | 160.2 | -87.9 | -18 | 0 | 0 | 0 | 104.8 | ||||
| 866 | N | 26.7 | Very low | 27 | Very low | 158 Ų | 158 | 137 Ų | 137 | 85% | 0.845 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 167.7 | 10.6 | 158.3 | -85.8 | -8.1 | 0 | 0 | 0 | 115.2 | ||
| 867 | H | 26.2 | Very low | 27 | Very low | 146 Ų | 146 | 136.7 Ų | 136.7 | 68% | 0.676 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -128.6 | 13.2 | -177 | -96.6 | 8.8 | 0 | 0 | 0 | 117.7 | ||
| 868 | F | 25.7 | Very low | 26.8 | Very low | 162 Ų | 162 | 129.7 Ų | 129.7 | 71% | 0.711 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -110.6 | 1.1 | -174.6 | -88.6 | -78.4 | 0 | 0 | 0 | 117.3 | I871 | F868-I871 HydrophobicContact CD1-CD1 4.45Å; F868-I871 HydrophobicContact CE1-CD1 4.41Å |
| 869 | Y | 27.5 | Very low | 26.8 | Very low | 228 Ų | 228 | 128 Ų | 128 | 89% | 0.894 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -90.5 | -14.7 | 178.1 | -89.3 | -80 | 0 | 0 | 0 | 115.3 | ||
| 870 | T | 28.3 | Very low | 26.6 | Very low | 105 Ų | 105 | 126.8 Ų | 126.8 | 64% | 0.644 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -94.2 | -7.9 | -176.1 | 34.8 | 0 | 0 | 0 | 0 | 115.2 | ||
| 871 | I | 29 | Very low | 26.5 | Very low | 77 Ų | 77 | 133.5 Ų | 133.5 | 40% | 0.395 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -86.2 | -14.2 | -174.1 | -62.1 | 174.3 | 0 | 0 | 0 | 112.9 | F868 E873 Y875 | F868-I871 HydrophobicContact CD1-CD1 4.45Å; F868-I871 HydrophobicContact CE1-CD1 4.41Å; I871-E873 VanDerWaalsContact C-N 3.32Å; I871-E873 PolarHBondContact O-N 3.29Å; I871-Y875 HydrophobicContact CG2-CD2 3.75Å; I871-Y875 HydrophobicContact CG2-CE2 4.06Å |
| 872 | S | 28 | Very low | 26.4 | Very low | 84 Ų | 84 | 131.8 Ų | 131.8 | 59% | 0.587 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -73.7 | -16.7 | -175.8 | 63.5 | 0 | 0 | 0 | 0 | 114.9 | ||
| 873 | E | 27.5 | Very low | 26.2 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 59% | 0.593 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -96.2 | -27.8 | 176.1 | -76.5 | -157.4 | 119.6 | 0 | 0 | 114.3 | K766 I871 | K766-E873 IonicContact NZ-OE1 3.09Å; K766-E873 PolarHBondContact NZ-OE1 2.89Å; I871-E873 VanDerWaalsContact C-N 3.32Å; I871-E873 PolarHBondContact O-N 3.29Å |
| 874 | L | 27.4 | Very low | 26.1 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 65% | 0.649 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -78.7 | -27.4 | -176.2 | -77.8 | 162.5 | 0 | 0 | 0 | 113.5 | L876 N877 | L874-L876 VanDerWaalsContact C-N 3.29Å; L874-L876 PolarHBondContact O-N 2.81Å; L874-N877 PolarHBondContact O-N 3.48Å |
| 875 | Y | 29.1 | Very low | 25.9 | Very low | 157 Ų | 157 | 132.3 Ų | 132.3 | 62% | 0.616 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -75.3 | -8.4 | -176.1 | -107.9 | -85 | 0 | 0 | 0 | 115.5 | I871 N877 | I871-Y875 HydrophobicContact CG2-CD2 3.75Å; I871-Y875 HydrophobicContact CG2-CE2 4.06Å; Y875-N877 VanDerWaalsContact C-N 3.33Å |
| 876 | L | 30.1 | Very low | 25.8 | Very low | 65 Ų | 65 | 131 Ų | 131 | 34% | 0.34 | 65% | 0.652 | S | S | . | * | G | 310 helix | trans | -83.5 | -9.7 | 175.3 | -78.2 | 167.6 | 0 | 0 | 0 | 113.4 | I841 Q842 L845 L874 | I841-L876 HydrophobicContact CG2-CD2 4.5Å; Q842-L876 HydrophobicContact CG-CD1 3.97Å; L845-L876 HydrophobicContact CD1-CD2 4.49Å; L874-L876 VanDerWaalsContact C-N 3.29Å; L874-L876 PolarHBondContact O-N 2.81Å |
| 877 | N | 27.5 | Very low | 25.7 | Very low | 38 Ų | 38 | 130.8 Ų | 130.8 | 20% | 0.203 | 65% | 0.651 | C | S | . | * | G | 310 helix | trans | -102.7 | 16.3 | -179.2 | -80.8 | 6 | 0 | 0 | 0 | 113.2 | K766 T770 L874 Y875 | K766-N877 PolarHBondContact O-ND2 2.97Å; T770-N877 VanDerWaalsContact CG2-C 3.42Å; T770-N877 VanDerWaalsContact CG2-CA 3.49Å; T770-N877 HydrophobicContact CG2-CB 3.67Å; T770-N877 WeakPolarHBondContact CG2-O 3.32Å; L874-N877 PolarHBondContact O-N 3.48Å; Y875-N877 VanDerWaalsContact C-N 3.33Å |
| 878 | S | 24.3 | Very low | 25.6 | Very low | 72 Ų | 72 | 130.4 Ų | 130.4 | 50% | 0.503 | 65% | 0.654 | S | S | . | * | trans | -147.3 | 77.4 | 176.3 | 64.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 879 | L | 24.3 | Very low | 25.5 | Very low | 146 Ų | 146 | 129 Ų | 129 | 76% | 0.764 | 65% | 0.654 | S | S | * | * | trans | -118.8 | 67.9 | 164.9 | -87.6 | 168.3 | 0 | 0 | 0 | 109.2 | ||||
| 880 | D | 23.3 | Very low | 25.4 | Very low | 117 Ų | 117 | 125.5 Ų | 125.5 | 63% | 0.626 | 65% | 0.645 | S | S | * | * | trans | -143.5 | 107 | 152.7 | -87.3 | -33.8 | 0 | 0 | 0 | 106.7 | ||||
| 881 | F | 23.5 | Very low | 25.2 | Very low | 210 Ų | 210 | 126.7 Ų | 126.7 | 92% | 0.921 | 65% | 0.646 | S | S | * | * | trans | -159.8 | 119.4 | 144.9 | -106.5 | -70.9 | 0 | 0 | 0 | 111.6 | ||||
| 882 | N | 22.4 | Very low | 24.9 | Very low | 136 Ų | 136 | 128.4 Ų | 128.4 | 73% | 0.727 | 66% | 0.66 | S | S | * | * | trans | -47.4 | 135.2 | 165.3 | -77 | -50 | 0 | 0 | 0 | 112.8 | ||||
| 883 | F | 24.2 | Very low | 24.8 | Very low | 214 Ų | 214 | 132.5 Ų | 132.5 | 94% | 0.939 | 68% | 0.676 | S | S | * | * | trans | -133.4 | 105.5 | 137.8 | -102.5 | -80.3 | 0 | 0 | 0 | 109.7 | ||||
| 884 | N | 21.4 | Very low | 24.5 | Very low | 128 Ų | 128 | 131.1 Ų | 131.1 | 68% | 0.684 | 68% | 0.68 | S | S | * | * | trans | -78.5 | 142.5 | 163.5 | -102.4 | -19.5 | 0 | 0 | 0 | 109.5 | ||||
| 885 | N | 22 | Very low | 24.4 | Very low | 128 Ų | 128 | 132.6 Ų | 132.6 | 68% | 0.684 | 69% | 0.687 | S | S | * | * | trans | 81.4 | 120.9 | 146 | -68.5 | -9 | 0 | 0 | 0 | 121.5 | ||||
| 886 | N | 23 | Very low | 24.2 | Very low | 130 Ų | 130 | 135.5 Ų | 135.5 | 70% | 0.695 | 70% | 0.699 | S | S | * | * | trans | 80.9 | 99.1 | 138.4 | -60.1 | -5.7 | 0 | 0 | 0 | 118.5 | ||||
| 887 | N | 26.1 | Very low | 24 | Very low | 153 Ų | 153 | 139.5 Ų | 139.5 | 82% | 0.818 | 72% | 0.72 | S | S | * | * | 178.1 | 151.7 | 96.1 | -91.4 | -19.5 | 0 | 0 | 0 | 112.3 | |||||
| 888 | D | 22.6 | Very low | 23.9 | Very low | 137 Ų | 137 | 147.4 Ų | 147.4 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | trans | -67.6 | 165.6 | -170.5 | -63.1 | -56.1 | 0 | 0 | 0 | 116.4 | ||||
| 889 | N | 23.4 | Very low | 23.8 | Very low | 132 Ų | 132 | 155.7 Ų | 155.7 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | trans | 79.4 | 101.3 | 149.9 | -60.2 | -29.5 | 0 | 0 | 0 | 119.2 | ||||
| 890 | H | 26 | Very low | 23.9 | Very low | 156 Ų | 156 | 160.2 Ų | 160.2 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | 165.5 | 124 | 95.1 | -94 | -60.4 | 0 | 0 | 0 | 112.8 | |||||
| 891 | I | 23.9 | Very low | 24.1 | Very low | 129 Ų | 129 | 161.4 Ų | 161.4 | 66% | 0.662 | 79% | 0.792 | S | S | * | * | 70.4 | 110.6 | 127 | -65 | 175.2 | 0 | 0 | 0 | 119.4 | |||||
| 892 | T | 23.9 | Very low | 24.3 | Very low | 113 Ų | 113 | 160.6 Ų | 160.6 | 69% | 0.693 | 79% | 0.788 | S | S | * | * | trans | 60.5 | 98.2 | 146.2 | 64 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 893 | N | 24.6 | Very low | 25.1 | Very low | 171 Ų | 171 | 160 Ų | 160 | 91% | 0.914 | 78% | 0.78 | S | S | * | * | trans | -152.9 | 57.8 | 138.2 | -100.5 | -37 | 0 | 0 | 0 | 110.7 | ||||
| 894 | S | 22.6 | Very low | 25.9 | Very low | 98 Ų | 98 | 153.1 Ų | 153.1 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | trans | -102.6 | 108.1 | 159.4 | 57.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 895 | I | 25.4 | Very low | 27.3 | Very low | 155 Ų | 155 | 148.2 Ų | 148.2 | 80% | 0.795 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 173.3 | -16 | 149.4 | -88.1 | 152.5 | 0 | 0 | 0 | 112.6 | ||
| 896 | Y | 24.2 | Very low | 29.1 | Very low | 218 Ų | 218 | 144 Ų | 144 | 86% | 0.855 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -111.1 | 33.5 | -173.3 | -103.4 | -81.7 | 0 | 0 | 0 | 118 | ||
| 897 | N | 25.6 | Very low | 31.3 | Very low | 148 Ų | 148 | 140.3 Ų | 140.3 | 79% | 0.791 | 69% | 0.689 | S | S | * | * | trans | -139.6 | 44.8 | 174.8 | -90.6 | -35.2 | 0 | 0 | 0 | 114.1 | ||||
| 898 | K | 24.7 | Very low | 33.3 | Very low | 205 Ų | 205 | 135.7 Ų | 135.7 | 89% | 0.891 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -114.1 | 8.7 | 178.4 | -115.9 | -179.8 | -176.2 | 179 | 0 | 116.4 | ||
| 899 | R | 23.8 | Very low | 35.9 | Very low | 245 Ų | 245 | 130.4 Ų | 130.4 | 93% | 0.925 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -141.2 | 116.3 | 176.2 | -69.7 | -177.8 | 176.8 | 162.2 | -1.2 | 110.9 | ||
| 900 | R | 24.7 | Very low | 38.3 | Very low | 241 Ų | 241 | 126.1 Ų | 126.1 | 91% | 0.909 | 61% | 0.614 | S | S | * | * | trans | 98.2 | 63.8 | 177.8 | -58.4 | -179.6 | 172.6 | 175.4 | -1.8 | 117.3 | ||||
| 901 | T | 27.6 | Very low | 40.7 | Very low | 143 Ų | 143 | 119.3 Ų | 119.3 | 88% | 0.877 | 58% | 0.583 | S | S | * | * | trans | -118.4 | 85.8 | 139.6 | 49 | 0 | 0 | 0 | 0 | 107.7 | H903 | T901-H903 PolarHBondContact O-N 2.85Å; T901-H903 VanDerWaalsContact O-N 3.08Å | ||
| 902 | K | 29.4 | Very low | 43.2 | Very low | 193 Ų | 193 | 113.7 Ų | 113.7 | 84% | 0.839 | 55% | 0.553 | S | S | * | * | trans | -66.5 | 108.7 | 174.5 | -82.2 | -176.8 | 173.6 | -177.4 | 0 | 108.6 | ||||
| 903 | H | 37.2 | Very low | 45.5 | Very low | 122 Ų | 122 | 109.6 Ų | 109.6 | 57% | 0.565 | 53% | 0.527 | S | S | * | . | trans | 37.8 | 93.1 | 154.6 | -52.4 | -59 | 0 | 0 | 0 | 117.8 | T901 | T901-H903 PolarHBondContact O-N 2.85Å; T901-H903 VanDerWaalsContact O-N 3.08Å | ||
| 904 | S | 41.2 | Very low | 48 | Very low | 70 Ų | 70 | 102.9 Ų | 102.9 | 49% | 0.49 | 49% | 0.49 | S | S | . | . | trans | -88.3 | 99.1 | 158.4 | 65.1 | 0 | 0 | 0 | 0 | 109.3 | S906 | S904-S906 PolarHBondContact O-N 3.31Š| ||
| 905 | H | 52 | Low | 50.8 | Low | 26 Ų | 26 | 98.2 Ų | 98.2 | 12% | 0.12 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 120.1 | 170.8 | -67.8 | -66.3 | 0 | 0 | 0 | 108.8 | D920 E924 H948 | H905-D920 WeakPolarHBondContact CA-OD1 3.07Å; H905-D920 VanDerWaalsContact CB-OD1 3.31Å; H905-D920 WeakPolarHBondContact CB-OD1 3.31Å; H905-D920 IonicContact CE1-OD2 2.62Å; H905-D920 PolarHBondContact CE1-OD2 3.28Å; H905-D920 IonicContact CG-OD1 3.54Å; H905-D920 IonicContact CG-OD2 2.64Å; H905-D920 IonicContact ND1-OD1 3.09Å; H905-D920 PolarHBondContact ND1-OD1 3.08Å; H905-D920 VanDerWaalsContact ND1-OD1 3.09Å; H905-D920 IonicContact ND1-OD2 3.5Å; H905-D920 PolarHBondContact ND1-OD2 3.41Å; H905-E924 IonicContact CE1-OE2 2.93Å; H905-H948 AromaticContact CE1-CE1 3.94Å; H905-H948 AromaticContact NE2-CE1 3.73Å |
| 906 | S | 60 | Low | 53.6 | Low | 39 Ų | 39 | 90.8 Ų | 90.8 | 27% | 0.273 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -98.6 | 124.6 | 170.6 | 52 | 0 | 0 | 0 | 0 | 108.9 | S904 S921 | S904-S906 PolarHBondContact O-N 3.31Å; S906-S921 PolarHBondContact N-OG 3.32Å; S906-S921 VanDerWaalsContact N-OG 3.11Å; S906-S921 WeakPolarHBondContact O-CA 3.12Å; S906-S921 WeakPolarHBondContact O-CB 3.4Å; S906-S921 PolarHBondContact O-N 3.23Å; S906-S921 PolarHBondContact O-OG 2.89Å; S906-S921 WeakPolarHBondContact OG-CB 3.49Å; S906-S921 PolarHBondContact OG-OG 2.96Å |
| 907 | W | 69.1 | Low | 56.3 | Low | 52 Ų | 52 | 82.1 Ų | 82.1 | 20% | 0.197 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 142 | -175.7 | -61.1 | 98.1 | 0 | 0 | 0 | 111.9 | I833 R837 I918 T919 D920 I925 L955 | I833-W907 HydrophobicContact CG2-CB 4.19Å; R837-W907 PolarHBondContact NH2-O 3.2Å; W907-I918 HydrophobicContact CE3-CG2 3.73Å; W907-I918 HydrophobicContact CZ3-CG2 4.28Å; W907-T919 CarbonylContact C-O 3.57Å; W907-T919 WeakPolarHBondContact CA-O 3.37Å; W907-D920 HydrophobicContact CE3-CB 4.33Å; W907-D920 HydrophobicContact CZ3-CB 4.11Å; W907-I925 HydrophobicContact CH2-CB 4.21Å; W907-I925 HydrophobicContact CH2-CD1 4.15Å; W907-I925 HydrophobicContact CH2-CG2 4Å; W907-I925 HydrophobicContact CZ3-CB 4.28Å; W907-I925 HydrophobicContact CZ3-CG2 4.11Å; W907-L955 HydrophobicContact CE3-CD2 4.14Å; W907-L955 HydrophobicContact CH2-CD2 3.44Å; W907-L955 VanDerWaalsContact CH2-CD2 3.44Å; W907-L955 HydrophobicContact CZ2-CD2 4.1Å; W907-L955 HydrophobicContact CZ3-CD2 3.44Å; W907-L955 VanDerWaalsContact CZ3-CD2 3.44Å |
| 908 | N | 68 | Low | 59.1 | Low | 57 Ų | 57 | 75.2 Ų | 75.2 | 31% | 0.305 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 142.8 | 171 | -72.2 | -20.6 | 0 | 0 | 0 | 109 | I918 T919 | N908-I918 WeakPolarHBondContact O-CA 3.36Å; N908-T919 WeakPolarHBondContact CB-OG1 2.89Å; N908-T919 PolarHBondContact N-O 2.95Å; N908-T919 PolarHBondContact O-N 3.13Å |
| 909 | L | 76.3 | Confident | 61.6 | Low | 25 Ų | 25 | 66.4 Ų | 66.4 | 13% | 0.131 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 127.8 | -178.7 | 177 | 67.1 | 0 | 0 | 0 | 109.2 | R830 I833 Q911 K917 I918 | R830-L909 HydrophobicContact CB-CD2 3.79Å; R830-L909 HydrophobicContact CG-CD2 4.15Å; I833-L909 HydrophobicContact CD1-CB 3.98Å; I833-L909 HydrophobicContact CD1-CD1 3.94Å; I833-L909 HydrophobicContact CD1-CD2 4.08Å; I833-L909 HydrophobicContact CD1-CG 4.21Å; L909-Q911 HydrophobicContact CD1-CG 3.99Å; L909-Q911 HydrophobicContact CD2-CG 4.24Å; L909-Q911 HydrophobicContact CG-CG 3.9Å; L909-K917 WeakPolarHBondContact CA-O 3.48Å; L909-I918 HydrophobicContact CD1-CG1 3.87Å |
| 910 | V | 74.3 | Confident | 64.1 | Low | 42 Ų | 42 | 54.9 Ų | 54.9 | 26% | 0.255 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 135.6 | 173.3 | -178.7 | 0 | 0 | 0 | 0 | 108.2 | F756 S916 K917 | F756-V910 HydrophobicContact CD2-CG2 4.07Å; F756-V910 HydrophobicContact CE2-CG2 4.32Å; V910-S916 CarbonylContact O-C 3.55Å; V910-S916 WeakPolarHBondContact O-CA 3.41Å; V910-K917 HydrophobicContact CB-CB 4.41Å; V910-K917 PolarHBondContact N-O 3.21Å; V910-K917 PolarHBondContact O-N 2.82Å |
| 911 | Q | 76.4 | Confident | 66.3 | Low | 13 Ų | 13 | 45.9 Ų | 45.9 | 6% | 0.061 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 145.4 | -174.9 | -58.4 | 179.5 | -64.4 | 0 | 0 | 110.3 | N785 Q826 L909 | N785-Q911 PolarHBondContact ND2-O 3.08Å; Q826-Q911 VanDerWaalsContact CA-NE2 3.27Å; Q826-Q911 VanDerWaalsContact CB-NE2 3.28Å; Q826-Q911 PolarHBondContact O-NE2 2.73Å; L909-Q911 HydrophobicContact CD1-CG 3.99Å; L909-Q911 HydrophobicContact CD2-CG 4.24Å; L909-Q911 HydrophobicContact CG-CG 3.9Å |
| 912 | W | 75.5 | Confident | 68.2 | Low | 11 Ų | 11 | 44.2 Ų | 44.2 | 4% | 0.042 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 172.9 | 173.6 | 62.6 | 96.2 | 0 | 0 | 0 | 108.9 | N785 I787 L793 Q826 H914 G915 K917 | N785-W912 WeakPolarHBondContact ND2-CA 3.27Å; I787-W912 HydrophobicContact CB-CB 4.16Å; I787-W912 HydrophobicContact CG2-CB 4.28Å; L793-W912 HydrophobicContact CD1-CD2 4.45Å; L793-W912 HydrophobicContact CD1-CE3 4.2Å; L793-W912 HydrophobicContact CD1-CH2 3.55Å; L793-W912 HydrophobicContact CD1-CZ2 3.8Å; L793-W912 HydrophobicContact CD1-CZ3 3.76Å; L793-W912 HydrophobicContact CD2-CH2 4.41Å; L793-W912 HydrophobicContact CD2-CZ3 4.24Å; Q826-W912 PolarHBondContact NE2-O 3.25Å; W912-H914 PolarHBondContact O-N 2.98Å; W912-G915 PolarHBondContact N-O 3Å; W912-G915 VanDerWaalsContact N-O 3.11Å; W912-G915 PolarHBondContact O-N 3.43Å; W912-G915 VanDerWaalsContact O-N 3.14Å; W912-K917 HydrophobicContact CH2-CB 4.27Å; W912-K917 HydrophobicContact CZ3-CB 3.95Å |
| 913 | L | 72.9 | Confident | 70.2 | Confident | 28 Ų | 28 | 36.2 Ų | 36.2 | 15% | 0.147 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | -40.6 | -171.2 | -171 | 57.5 | 0 | 0 | 0 | 114.6 | W361 R783 N785 | W361-L913 HydrophobicContact CH2-CD2 4.14Å; W361-L913 HydrophobicContact CZ3-CD2 4.3Å; R783-L913 WeakPolarHBondContact O-CD1 3.4Å; N785-L913 WeakPolarHBondContact O-CB 3.36Å |
| 914 | H | 78 | Confident | 72.2 | Confident | 29 Ų | 29 | 32.4 Ų | 32.4 | 13% | 0.134 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 8.5 | -173.6 | -50.5 | -65.8 | 0 | 0 | 0 | 114.2 | L789 W912 I931 E933 | L789-H914 HydrophobicContact CD1-CB 4.2Å; W912-H914 PolarHBondContact O-N 2.98Å; H914-I931 PolarHBondContact O-N 3.16Å; H914-E933 VanDerWaalsContact CE1-CD 3.47Å; H914-E933 IonicContact CE1-OE1 2.77Å; H914-E933 PolarHBondContact CE1-OE1 3.21Å; H914-E933 IonicContact ND1-OE1 3.41Å; H914-E933 PolarHBondContact ND1-OE1 3.42Å; H914-E933 IonicContact NE2-OE1 3.42Å |
| 915 | G | 80.4 | Confident | 74.1 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.7 | 178.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | Q826 W912 L929 | Q826-G915 PolarHBondContact NE2-O 3.37Å; W912-G915 PolarHBondContact N-O 3Å; W912-G915 VanDerWaalsContact N-O 3.11Å; W912-G915 PolarHBondContact O-N 3.43Å; W912-G915 VanDerWaalsContact O-N 3.14Å; G915-L929 CarbonylContact C-O 3.6Å; G915-L929 WeakPolarHBondContact CA-O 3.35Å |
| 916 | S | 83.6 | Confident | 75.5 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 146.8 | 179.1 | -65.9 | 0 | 0 | 0 | 0 | 110.7 | Q826 V910 F928 L929 | Q826-S916 WeakPolarHBondContact CG-OG 3.06Å; V910-S916 CarbonylContact O-C 3.55Å; V910-S916 WeakPolarHBondContact O-CA 3.41Å; S916-F928 CarbonylContact O-C 3.54Å; S916-F928 WeakPolarHBondContact O-CA 3.09Å; S916-L929 PolarHBondContact N-O 3.4Å; S916-L929 PolarHBondContact O-N 3.3Å |
| 917 | K | 81.9 | Confident | 76.7 | Confident | 35 Ų | 35 | 26.9 Ų | 26.9 | 15% | 0.152 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 123.2 | 172.8 | 179.3 | -177.8 | -177.4 | 168.6 | 0 | 109.4 | L793 L909 V910 W912 T919 I927 F928 | L793-K917 HydrophobicContact CD2-CB 4.5Å; L793-K917 HydrophobicContact CD2-CD 3.58Å; L909-K917 WeakPolarHBondContact CA-O 3.48Å; V910-K917 HydrophobicContact CB-CB 4.41Å; V910-K917 PolarHBondContact N-O 3.21Å; V910-K917 PolarHBondContact O-N 2.82Å; W912-K917 HydrophobicContact CH2-CB 4.27Å; W912-K917 HydrophobicContact CZ3-CB 3.95Å; K917-T919 HydrophobicContact CD-CG2 4.12Å; K917-T919 VanDerWaalsContact CE-CG2 3.44Å; K917-T919 HydrophobicContact CG-CG2 3.89Å; K917-I927 CarbonylContact C-O 3.59Å; K917-I927 WeakPolarHBondContact CA-O 3.47Å; K917-F928 HydrophobicContact CB-CD1 4.12Å; K917-F928 HydrophobicContact CB-CE1 4.38Å; K917-F928 HydrophobicContact CD-CD1 4.01Å; K917-F928 HydrophobicContact CD-CE1 3.4Å; K917-F928 VanDerWaalsContact CD-CE1 3.4Å; K917-F928 HydrophobicContact CD-CZ 4Å; K917-F928 VanDerWaalsContact CE-CE1 3.46Å; K917-F928 HydrophobicContact CG-CD1 3.84Å; K917-F928 HydrophobicContact CG-CE1 3.69Å; K917-F928 HydrophobicContact CG-CZ 4.25Å |
| 918 | I | 83.6 | Confident | 77.5 | Confident | 3 Ų | 3 | 24.6 Ų | 24.6 | 2% | 0.015 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 125.9 | 175.2 | -54.8 | 169.4 | 0 | 0 | 0 | 107.2 | L829 I833 W907 N908 L909 Q926 I927 L929 L955 T959 | L829-I918 HydrophobicContact CD2-CD1 4.19Å; I833-I918 HydrophobicContact CD1-CD1 4.28Å; I833-I918 HydrophobicContact CD1-CG1 4.12Å; I833-I918 HydrophobicContact CD1-CG2 4.16Å; W907-I918 HydrophobicContact CE3-CG2 3.73Å; W907-I918 HydrophobicContact CZ3-CG2 4.28Å; N908-I918 WeakPolarHBondContact O-CA 3.36Å; L909-I918 HydrophobicContact CD1-CG1 3.87Å; I918-Q926 CarbonylContact O-C 3.42Å; I918-Q926 VanDerWaalsContact O-CA 3.29Å; I918-Q926 WeakPolarHBondContact O-CA 3.26Å; I918-I927 HydrophobicContact CB-CB 4.41Å; I918-I927 PolarHBondContact N-O 2.9Å; I918-I927 PolarHBondContact O-N 3.33Å; I918-L929 HydrophobicContact CD1-CD1 4.41Å; I918-L955 HydrophobicContact CG2-CD2 4.27Å; I918-T959 HydrophobicContact CD1-CG2 3.95Å |
| 919 | T | 77.5 | Confident | 78.4 | Confident | 21 Ų | 21 | 22 Ų | 22 | 13% | 0.129 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 145.2 | 176.3 | 60.1 | 0 | 0 | 0 | 0 | 111.4 | W907 N908 K917 I925 Q926 | W907-T919 CarbonylContact C-O 3.57Å; W907-T919 WeakPolarHBondContact CA-O 3.37Å; N908-T919 WeakPolarHBondContact CB-OG1 2.89Å; N908-T919 PolarHBondContact N-O 2.95Å; N908-T919 PolarHBondContact O-N 3.13Å; K917-T919 HydrophobicContact CD-CG2 4.12Å; K917-T919 VanDerWaalsContact CE-CG2 3.44Å; K917-T919 HydrophobicContact CG-CG2 3.89Å; T919-I925 WeakPolarHBondContact CA-O 3.15Å; T919-Q926 HydrophobicContact CG2-CB 4Å; T919-Q926 HydrophobicContact CG2-CG 3.68Å |
| 920 | D | 76.9 | Confident | 78.8 | Confident | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.011 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 151.5 | 161.1 | 164.1 | 39 | 0 | 0 | 0 | 109.9 | H905 W907 K922 G923 I925 | H905-D920 WeakPolarHBondContact CA-OD1 3.07Å; H905-D920 VanDerWaalsContact CB-OD1 3.31Å; H905-D920 WeakPolarHBondContact CB-OD1 3.31Å; H905-D920 IonicContact CE1-OD2 2.62Å; H905-D920 PolarHBondContact CE1-OD2 3.28Å; H905-D920 IonicContact CG-OD1 3.54Å; H905-D920 IonicContact CG-OD2 2.64Å; H905-D920 IonicContact ND1-OD1 3.09Å; H905-D920 PolarHBondContact ND1-OD1 3.08Å; H905-D920 VanDerWaalsContact ND1-OD1 3.09Å; H905-D920 IonicContact ND1-OD2 3.5Å; H905-D920 PolarHBondContact ND1-OD2 3.41Å; W907-D920 HydrophobicContact CE3-CB 4.33Å; W907-D920 HydrophobicContact CZ3-CB 4.11Å; D920-K922 PolarHBondContact O-N 3.04Å; D920-K922 VanDerWaalsContact O-N 3.09Å; D920-K922 PolarHBondContact OD1-N 3.35Å; D920-K922 WeakPolarHBondContact OD2-CB 3.38Å; D920-K922 PolarHBondContact OD2-N 2.92Å; D920-G923 WeakPolarHBondContact O-CA 3.42Å; D920-G923 PolarHBondContact O-N 3.01Å; D920-I925 HydrophobicContact CB-CB 4.44Å; D920-I925 PolarHBondContact N-O 3.37Å |
| 921 | S | 69.3 | Low | 79.1 | Confident | 53 Ų | 53 | 20.1 Ų | 20.1 | 37% | 0.371 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -46.3 | -28.4 | 170.3 | 44.5 | 0 | 0 | 0 | 0 | 116.2 | S906 | S906-S921 PolarHBondContact N-OG 3.32Å; S906-S921 VanDerWaalsContact N-OG 3.11Å; S906-S921 WeakPolarHBondContact O-CA 3.12Å; S906-S921 WeakPolarHBondContact O-CB 3.4Å; S906-S921 PolarHBondContact O-N 3.23Å; S906-S921 PolarHBondContact O-OG 2.89Å; S906-S921 WeakPolarHBondContact OG-CB 3.49Å; S906-S921 PolarHBondContact OG-OG 2.96Å |
| 922 | K | 69.2 | Low | 79.1 | Confident | 108 Ų | 108 | 21.3 Ų | 21.3 | 47% | 0.47 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -5.6 | 174.2 | -60.3 | 177.3 | 168.9 | -173.1 | 0 | 113.9 | D920 E924 | D920-K922 PolarHBondContact O-N 3.04Å; D920-K922 VanDerWaalsContact O-N 3.09Å; D920-K922 PolarHBondContact OD1-N 3.35Å; D920-K922 WeakPolarHBondContact OD2-CB 3.38Å; D920-K922 PolarHBondContact OD2-N 2.92Å; K922-E924 HydrophobicContact CB-CG 3.81Å; K922-E924 HydrophobicContact CD-CG 4.23Å; K922-E924 VanDerWaalsContact CD-OE1 3.28Å; K922-E924 WeakPolarHBondContact CD-OE1 3.28Å; K922-E924 VanDerWaalsContact CD-OE2 3.3Å; K922-E924 WeakPolarHBondContact CD-OE2 3.3Å; K922-E924 IonicContact NZ-OE1 3.16Å; K922-E924 PolarHBondContact NZ-OE1 3.09Å; K922-E924 VanDerWaalsContact NZ-OE1 3.12Å; K922-E924 IonicContact NZ-OE2 3.52Å; K922-E924 PolarHBondContact NZ-OE2 2.92Å; K922-E924 PolarHBondContact O-N 3.22Å |
| 923 | G | 71.2 | Confident | 78.6 | Confident | 25 Ų | 25 | 23.4 Ų | 23.4 | 26% | 0.258 | 13% | 0.126 | S | C | . | . | S | Bend | trans | 72.1 | 5.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | D920 I925 Q926 | D920-G923 WeakPolarHBondContact O-CA 3.42Å; D920-G923 PolarHBondContact O-N 3.01Å; G923-I925 VanDerWaalsContact C-N 3.31Å; G923-I925 PolarHBondContact O-N 3.11Å; G923-Q926 PolarHBondContact O-NE2 2.85Å |
| 924 | E | 79 | Confident | 78.3 | Confident | 41 Ų | 41 | 28.8 Ų | 28.8 | 19% | 0.192 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -69 | -26.6 | -176.7 | -66.4 | 173.6 | 169.1 | 0 | 0 | 112.8 | H905 K922 C944 L945 H948 | H905-E924 IonicContact CE1-OE2 2.93Å; K922-E924 HydrophobicContact CB-CG 3.81Å; K922-E924 HydrophobicContact CD-CG 4.23Å; K922-E924 VanDerWaalsContact CD-OE1 3.28Å; K922-E924 WeakPolarHBondContact CD-OE1 3.28Å; K922-E924 VanDerWaalsContact CD-OE2 3.3Å; K922-E924 WeakPolarHBondContact CD-OE2 3.3Å; K922-E924 IonicContact NZ-OE1 3.16Å; K922-E924 PolarHBondContact NZ-OE1 3.09Å; K922-E924 VanDerWaalsContact NZ-OE1 3.12Å; K922-E924 IonicContact NZ-OE2 3.52Å; K922-E924 PolarHBondContact NZ-OE2 2.92Å; K922-E924 PolarHBondContact O-N 3.22Å; E924-C944 VanDerWaalsContact O-CA 3.28Å; E924-C944 WeakPolarHBondContact O-CA 3.28Å; E924-L945 HydrophobicContact CB-CD1 4.14Å; E924-L945 HydrophobicContact CG-CD1 3.86Å; E924-L945 PolarHBondContact O-N 3.47Å; E924-H948 IonicContact OE2-CE1 2.78Å; E924-H948 IonicContact OE2-NE2 3.12Å; E924-H948 PolarHBondContact OE2-NE2 3.08Å |
| 925 | I | 80.9 | Confident | 77.9 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 130.4 | 175.1 | -56.5 | 173 | 0 | 0 | 0 | 108.4 | W907 T919 D920 G923 C944 H948 Q951 T952 | W907-I925 HydrophobicContact CH2-CB 4.21Å; W907-I925 HydrophobicContact CH2-CD1 4.15Å; W907-I925 HydrophobicContact CH2-CG2 4Å; W907-I925 HydrophobicContact CZ3-CB 4.28Å; W907-I925 HydrophobicContact CZ3-CG2 4.11Å; T919-I925 WeakPolarHBondContact CA-O 3.15Å; D920-I925 HydrophobicContact CB-CB 4.44Å; D920-I925 PolarHBondContact N-O 3.37Å; G923-I925 VanDerWaalsContact C-N 3.31Å; G923-I925 PolarHBondContact O-N 3.11Å; I925-C944 HydrophobicContact CG1-CB 4.36Å; I925-H948 HydrophobicContact CD1-CB 3.79Å; I925-H948 HydrophobicContact CG1-CB 3.7Å; I925-Q951 HydrophobicContact CD1-CB 3.83Å; I925-T952 HydrophobicContact CG2-CG2 4.11Å; I925-T952 WeakPolarHBondContact CG2-OG1 3.49Å |
| 926 | Q | 81.5 | Confident | 77.6 | Confident | 20 Ų | 20 | 35.7 Ų | 35.7 | 9% | 0.093 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 136 | 176.5 | -47.6 | -172.7 | 10.2 | 0 | 0 | 111.1 | I918 T919 G923 F928 S942 R943 | I918-Q926 CarbonylContact O-C 3.42Å; I918-Q926 VanDerWaalsContact O-CA 3.29Å; I918-Q926 WeakPolarHBondContact O-CA 3.26Å; T919-Q926 HydrophobicContact CG2-CB 4Å; T919-Q926 HydrophobicContact CG2-CG 3.68Å; G923-Q926 PolarHBondContact O-NE2 2.85Å; Q926-F928 HydrophobicContact CB-CE2 3.87Å; Q926-F928 HydrophobicContact CB-CZ 4.4Å; Q926-S942 CarbonylContact O-C 3.55Å; Q926-S942 VanDerWaalsContact O-CA 3.23Å; Q926-S942 WeakPolarHBondContact O-CA 3.47Å; Q926-R943 HydrophobicContact CB-CG 3.84Å; Q926-R943 VanDerWaalsContact CD-NE 3.26Å; Q926-R943 VanDerWaalsContact CD-NH2 3.34Å; Q926-R943 HydrophobicContact CG-CG 4.28Å; Q926-R943 PolarHBondContact N-O 3.29Å; Q926-R943 PolarHBondContact O-N 3.17Å |
| 927 | I | 85 | Confident | 77.4 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 136.8 | 172.5 | -59.1 | -174.1 | 0 | 0 | 0 | 108.4 | K917 I918 I940 F941 L955 L956 | K917-I927 CarbonylContact C-O 3.59Å; K917-I927 WeakPolarHBondContact CA-O 3.47Å; I918-I927 HydrophobicContact CB-CB 4.41Å; I918-I927 PolarHBondContact N-O 2.9Å; I918-I927 PolarHBondContact O-N 3.33Å; I927-I940 HydrophobicContact CG2-CG2 3.95Å; I927-F941 CarbonylContact C-O 3.37Å; I927-F941 WeakPolarHBondContact CA-O 3.47Å; I927-L955 HydrophobicContact CD1-CB 3.88Å; I927-L955 HydrophobicContact CD1-CD2 3.38Å; I927-L955 HydrophobicContact CD1-CG 3.5Å; I927-L955 VanDerWaalsContact CD1-CG 3.5Å; I927-L955 HydrophobicContact CG1-CD2 4.03Å; I927-L956 HydrophobicContact CD1-CD2 4.12Å; I927-L956 HydrophobicContact CD1-CG 4.01Å; I927-L956 HydrophobicContact CG2-CD2 4.39Å |
| 928 | F | 85 | Confident | 77.6 | Confident | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.018 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 133.3 | 177.4 | -58.3 | -100.9 | 0 | 0 | 0 | 108.5 | L793 S916 K917 Q926 I940 F941 R943 | L793-F928 HydrophobicContact CB-CE1 4.25Å; L793-F928 HydrophobicContact CD2-CE1 4.2Å; L793-F928 WeakPolarHBondContact O-CE1 3.47Å; S916-F928 CarbonylContact O-C 3.54Å; S916-F928 WeakPolarHBondContact O-CA 3.09Å; K917-F928 HydrophobicContact CB-CD1 4.12Å; K917-F928 HydrophobicContact CB-CE1 4.38Å; K917-F928 HydrophobicContact CD-CD1 4.01Å; K917-F928 HydrophobicContact CD-CE1 3.4Å; K917-F928 VanDerWaalsContact CD-CE1 3.4Å; K917-F928 HydrophobicContact CD-CZ 4Å; K917-F928 VanDerWaalsContact CE-CE1 3.46Å; K917-F928 HydrophobicContact CG-CD1 3.84Å; K917-F928 HydrophobicContact CG-CE1 3.69Å; K917-F928 HydrophobicContact CG-CZ 4.25Å; Q926-F928 HydrophobicContact CB-CE2 3.87Å; Q926-F928 HydrophobicContact CB-CZ 4.4Å; F928-I940 CarbonylContact O-C 3.51Å; F928-I940 VanDerWaalsContact O-CA 3.29Å; F928-I940 WeakPolarHBondContact O-CA 3.48Å; F928-F941 HydrophobicContact CB-CB 4.26Å; F928-F941 PolarHBondContact N-O 3.09Å; F928-F941 PolarHBondContact O-N 2.98Å; F928-R943 HydrophobicContact CE2-CG 4.25Å |
| 929 | L | 87.7 | Confident | 77.6 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 126.5 | 169.7 | -63.5 | 117.5 | 0 | 0 | 0 | 107.2 | L829 G915 S916 I918 L938 D939 I940 I963 | L829-L929 HydrophobicContact CD1-CD1 3.83Å; G915-L929 CarbonylContact C-O 3.6Å; G915-L929 WeakPolarHBondContact CA-O 3.35Å; S916-L929 PolarHBondContact N-O 3.4Å; S916-L929 PolarHBondContact O-N 3.3Å; I918-L929 HydrophobicContact CD1-CD1 4.41Å; L929-L938 HydrophobicContact CB-CD1 4.35Å; L929-D939 WeakPolarHBondContact CA-O 3.33Å; L929-I940 HydrophobicContact CD2-CD1 4.13Å; L929-I940 HydrophobicContact CD2-CG1 3.96Å; L929-I963 HydrophobicContact CD2-CD1 3.43Å; L929-I963 VanDerWaalsContact CD2-CD1 3.43Å; L929-I963 HydrophobicContact CD2-CG1 4.48Å |
| 930 | C | 84.4 | Confident | 78 | Confident | 23 Ų | 23 | 34 Ų | 34 | 16% | 0.155 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 132.3 | 179.5 | -163 | 0 | 0 | 0 | 0 | 110 | D939 | C930-D939 PolarHBondContact N-O 3.15Å; C930-D939 PolarHBondContact O-N 2.95Å |
| 931 | I | 81.3 | Confident | 78.3 | Confident | 6 Ų | 6 | 34 Ų | 34 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 129.2 | 170 | -69.1 | 168.7 | 0 | 0 | 0 | 108.8 | F818 M822 H914 V937 L938 | F818-I931 HydrophobicContact CB-CD1 3.7Å; F818-I931 HydrophobicContact CB-CG1 3.97Å; F818-I931 HydrophobicContact CB-CG2 4.42Å; F818-I931 WeakPolarHBondContact O-CD1 3.36Å; M822-I931 HydrophobicContact CB-CD1 3.58Å; M822-I931 HydrophobicContact CE-CB 4.49Å; M822-I931 HydrophobicContact CE-CD1 3.24Å; M822-I931 HydrophobicContact CE-CG1 3.4Å; M822-I931 HydrophobicContact CG-CD1 3.97Å; M822-I931 HydrophobicContact SD-CD1 4.36Å; H914-I931 PolarHBondContact O-N 3.16Å; I931-V937 WeakPolarHBondContact CA-O 3.45Å; I931-L938 HydrophobicContact CG1-CB 4.47Å; I931-L938 HydrophobicContact CG1-CD1 3.81Å |
| 932 | D | 75.7 | Confident | 79 | Confident | 37 Ų | 37 | 31.5 Ų | 31.5 | 20% | 0.198 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 109.3 | 159.4 | -175.8 | -23.5 | 0 | 0 | 0 | 107.8 | Y934 K935 Q936 V937 | D932-Y934 VanDerWaalsContact C-N 3.3Å; D932-Y934 PolarHBondContact O-N 2.88Å; D932-Y934 PolarHBondContact OD1-N 3.34Å; D932-K935 HydrophobicContact CB-CB 4.31Å; D932-K935 PolarHBondContact OD1-N 2.84Å; D932-K935 WeakPolarHBondContact OD2-CG 3.46Å; D932-K935 IonicContact OD2-NZ 2.74Å; D932-K935 PolarHBondContact OD2-NZ 3.2Å; D932-Q936 VanDerWaalsContact O-CA 3.23Å; D932-Q936 WeakPolarHBondContact O-CA 3.43Å; D932-Q936 PolarHBondContact O-N 3.16Å; D932-V937 PolarHBondContact N-O 3.49Å; D932-V937 PolarHBondContact O-N 2.98Å |
| 933 | E | 65.7 | Low | 79.6 | Confident | 56 Ų | 56 | 27.3 Ų | 27.3 | 26% | 0.262 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -34.9 | -176.9 | -64 | -163.7 | 123.7 | 0 | 0 | 113.3 | I819 H914 Q936 | I819-E933 HydrophobicContact CD1-CG 4.17Å; I819-E933 WeakPolarHBondContact CD1-OE1 3.27Å; H914-E933 VanDerWaalsContact CE1-CD 3.47Å; H914-E933 IonicContact CE1-OE1 2.77Å; H914-E933 PolarHBondContact CE1-OE1 3.21Å; H914-E933 IonicContact ND1-OE1 3.41Å; H914-E933 PolarHBondContact ND1-OE1 3.42Å; H914-E933 IonicContact NE2-OE1 3.42Å; E933-Q936 PolarHBondContact O-NE2 3.5Å |
| 934 | Y | 66.2 | Low | 80.1 | Confident | 140 Ų | 140 | 26.1 Ų | 26.1 | 55% | 0.549 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -40.5 | -175.9 | -69.1 | -82.1 | 0 | 0 | 0 | 111.3 | Y359 D932 | Y359-Y934 HydrophobicContact CD2-CE1 4.46Å; D932-Y934 VanDerWaalsContact C-N 3.3Å; D932-Y934 PolarHBondContact O-N 2.88Å; D932-Y934 PolarHBondContact OD1-N 3.34Å |
| 935 | K | 69.7 | Low | 80 | Confident | 138 Ų | 138 | 26.5 Ų | 26.5 | 60% | 0.6 | 12% | 0.122 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -17.7 | 177.9 | -59.5 | -167.6 | -163.3 | 97.5 | 0 | 112.4 | D932 V937 | D932-K935 HydrophobicContact CB-CB 4.31Å; D932-K935 PolarHBondContact OD1-N 2.84Å; D932-K935 WeakPolarHBondContact OD2-CG 3.46Å; D932-K935 IonicContact OD2-NZ 2.74Å; D932-K935 PolarHBondContact OD2-NZ 3.2Å; K935-V937 VanDerWaalsContact C-N 3.28Å; K935-V937 HydrophobicContact CB-CB 4.08Å; K935-V937 HydrophobicContact CB-CG2 3.69Å; K935-V937 WeakPolarHBondContact O-CG2 3.25Å; K935-V937 PolarHBondContact O-N 3.08Å |
| 936 | Q | 73.3 | Confident | 79.6 | Confident | 37 Ų | 37 | 29.8 Ų | 29.8 | 17% | 0.173 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50 | 52.2 | -167.8 | -68.5 | -70.6 | -38.1 | 0 | 0 | 111.4 | G816 F818 D932 E933 | G816-Q936 VanDerWaalsContact C-CB 3.41Å; G816-Q936 WeakPolarHBondContact O-CB 3.39Å; G816-Q936 VanDerWaalsContact O-CG 3.25Å; G816-Q936 WeakPolarHBondContact O-CG 3.31Å; G816-Q936 PolarHBondContact O-OE1 3.13Å; F818-Q936 WeakPolarHBondContact CD2-O 3.22Å; D932-Q936 VanDerWaalsContact O-CA 3.23Å; D932-Q936 WeakPolarHBondContact O-CA 3.43Å; D932-Q936 PolarHBondContact O-N 3.16Å; E933-Q936 PolarHBondContact O-NE2 3.5Å |
| 937 | V | 81.1 | Confident | 79.2 | Confident | 9 Ų | 9 | 33.7 Ų | 33.7 | 6% | 0.055 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 138.3 | -178.1 | 172.6 | 0 | 0 | 0 | 0 | 108.4 | Q810 L811 I812 I931 D932 K935 | Q810-V937 HydrophobicContact CG-CG1 3.16Å; L811-V937 WeakPolarHBondContact O-CG1 3.48Å; I812-V937 HydrophobicContact CG1-CG1 4.15Å; I812-V937 HydrophobicContact CG1-CG2 4.11Å; I812-V937 HydrophobicContact CG2-CG2 4.37Å; I931-V937 WeakPolarHBondContact CA-O 3.45Å; D932-V937 PolarHBondContact N-O 3.49Å; D932-V937 PolarHBondContact O-N 2.98Å; K935-V937 VanDerWaalsContact C-N 3.28Å; K935-V937 HydrophobicContact CB-CB 4.08Å; K935-V937 HydrophobicContact CB-CG2 3.69Å; K935-V937 WeakPolarHBondContact O-CG2 3.25Å; K935-V937 PolarHBondContact O-N 3.08Å |
| 938 | L | 85.6 | Confident | 78.8 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 108.4 | 177.3 | 173.7 | 65.2 | 0 | 0 | 0 | 109.3 | L811 F818 M822 I825 L929 I931 I940 I963 | L811-L938 HydrophobicContact CB-CB 4.08Å; L811-L938 WeakPolarHBondContact CB-O 3.21Å; L811-L938 HydrophobicContact CD1-CD2 3.86Å; L811-L938 HydrophobicContact CD1-CG 4.35Å; L811-L938 PolarHBondContact N-O 3.24Å; L811-L938 PolarHBondContact O-N 2.92Å; F818-L938 HydrophobicContact CD1-CB 3.77Å; F818-L938 HydrophobicContact CD1-CD2 3.96Å; F818-L938 HydrophobicContact CD1-CG 4.48Å; F818-L938 HydrophobicContact CD2-CB 4.02Å; F818-L938 HydrophobicContact CE1-CB 3.81Å; F818-L938 HydrophobicContact CE1-CD2 3.85Å; F818-L938 HydrophobicContact CE2-CB 4.06Å; F818-L938 HydrophobicContact CG-CB 3.87Å; F818-L938 HydrophobicContact CZ-CB 3.96Å; M822-L938 HydrophobicContact CE-CD1 3.74Å; I825-L938 HydrophobicContact CD1-CD2 4.35Å; L929-L938 HydrophobicContact CB-CD1 4.35Å; I931-L938 HydrophobicContact CG1-CB 4.47Å; I931-L938 HydrophobicContact CG1-CD1 3.81Å; L938-I940 HydrophobicContact CG-CG1 4.43Å; L938-I963 HydrophobicContact CD2-CD1 3.88Å; L938-I963 HydrophobicContact CD2-CG2 4.1Å |
| 939 | D | 83.5 | Confident | 78.1 | Confident | 14 Ų | 14 | 36.2 Ų | 36.2 | 8% | 0.075 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 129.6 | 175.4 | -64.8 | -34.4 | 0 | 0 | 0 | 110.4 | Q810 L929 C930 F941 | Q810-D939 VanDerWaalsContact CG-OD1 3.24Å; Q810-D939 WeakPolarHBondContact CG-OD1 3.43Å; Q810-D939 PolarHBondContact NE2-OD1 3.31Å; L929-D939 WeakPolarHBondContact CA-O 3.33Å; C930-D939 PolarHBondContact N-O 3.15Å; C930-D939 PolarHBondContact O-N 2.95Å; D939-F941 HydrophobicContact CB-CD2 4.17Å; D939-F941 HydrophobicContact CB-CE1 4.49Å; D939-F941 HydrophobicContact CB-CE2 3.28Å; D939-F941 HydrophobicContact CB-CZ 3.49Å; D939-F941 VanDerWaalsContact CB-CZ 3.49Å |
| 940 | I | 86 | Confident | 77.3 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 108.6 | 176.3 | -51.9 | 178.1 | 0 | 0 | 0 | 108 | G808 L809 L811 I927 F928 L929 L938 L956 V960 I963 | G808-I940 CarbonylContact C-O 3.48Å; G808-I940 VanDerWaalsContact CA-O 3.31Å; G808-I940 WeakPolarHBondContact CA-O 3.24Å; L809-I940 HydrophobicContact CB-CB 4.32Å; L809-I940 PolarHBondContact N-O 3.12Å; L809-I940 PolarHBondContact O-N 2.8Å; L811-I940 HydrophobicContact CD1-CD1 3.75Å; I927-I940 HydrophobicContact CG2-CG2 3.95Å; F928-I940 CarbonylContact O-C 3.51Å; F928-I940 VanDerWaalsContact O-CA 3.29Å; F928-I940 WeakPolarHBondContact O-CA 3.48Å; L929-I940 HydrophobicContact CD2-CD1 4.13Å; L929-I940 HydrophobicContact CD2-CG1 3.96Å; L938-I940 HydrophobicContact CG-CG1 4.43Å; I940-L956 HydrophobicContact CG2-CD2 3.68Å; I940-V960 HydrophobicContact CD1-CG2 3.85Å; I940-I963 HydrophobicContact CD1-CD1 3.72Å |
| 941 | F | 83.7 | Confident | 76.7 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 0% | 0.004 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 145 | 176.6 | -52.6 | -85.6 | 0 | 0 | 0 | 109.9 | W794 S807 I927 F928 D939 L981 L986 H989 Y990 | W794-F941 HydrophobicContact CH2-CB 4.47Å; W794-F941 HydrophobicContact CH2-CD1 4.07Å; W794-F941 AromaticContact CH2-CD2 3.4Å; W794-F941 HydrophobicContact CH2-CD2 3.4Å; W794-F941 HydrophobicContact CH2-CE1 4.11Å; W794-F941 AromaticContact CH2-CE2 3.45Å; W794-F941 HydrophobicContact CH2-CE2 3.45Å; W794-F941 VanDerWaalsContact CH2-CE2 3.45Å; W794-F941 AromaticContact CH2-CG 3.71Å; W794-F941 HydrophobicContact CH2-CG 3.71Å; W794-F941 AromaticContact CH2-CZ 3.81Å; W794-F941 HydrophobicContact CH2-CZ 3.81Å; W794-F941 HydrophobicContact CZ2-CD2 4.19Å; W794-F941 HydrophobicContact CZ2-CE2 4.11Å; W794-F941 HydrophobicContact CZ3-CD1 4.25Å; W794-F941 HydrophobicContact CZ3-CD2 4.2Å; W794-F941 HydrophobicContact CZ3-CE2 4.48Å; W794-F941 HydrophobicContact CZ3-CG 4.05Å; S807-F941 WeakPolarHBondContact O-CA 3.47Å; I927-F941 CarbonylContact C-O 3.37Å; I927-F941 WeakPolarHBondContact CA-O 3.47Å; F928-F941 HydrophobicContact CB-CB 4.26Å; F928-F941 PolarHBondContact N-O 3.09Å; F928-F941 PolarHBondContact O-N 2.98Å; D939-F941 HydrophobicContact CB-CD2 4.17Å; D939-F941 HydrophobicContact CB-CE1 4.49Å; D939-F941 HydrophobicContact CB-CE2 3.28Å; D939-F941 HydrophobicContact CB-CZ 3.49Å; D939-F941 VanDerWaalsContact CB-CZ 3.49Å; F941-L981 HydrophobicContact CD1-CD1 4.29Å; F941-L981 HydrophobicContact CE1-CD1 3.6Å; F941-L981 HydrophobicContact CZ-CD1 4.15Å; F941-L986 HydrophobicContact CD1-CD2 3.89Å; F941-L986 HydrophobicContact CE1-CD2 4.29Å; F941-H989 AromaticContact CE1-CD2 3.92Å; F941-H989 AromaticContact CZ-CD2 3.81Å; F941-H989 AromaticContact CZ-NE2 3.83Å; F941-Y990 HydrophobicContact CB-CE2 4.44Å; F941-Y990 HydrophobicContact CD1-CE2 4.28Å |
| 942 | S | 83.9 | Confident | 76.5 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.007 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 146.7 | 169.4 | 64 | 0 | 0 | 0 | 0 | 111.4 | Y806 S807 Q926 L956 | Y806-S942 WeakPolarHBondContact CA-O 3.25Å; S807-S942 PolarHBondContact N-O 3.37Å; S807-S942 PolarHBondContact O-N 2.96Å; S807-S942 PolarHBondContact OG-OG 2.87Å; Q926-S942 CarbonylContact O-C 3.55Å; Q926-S942 VanDerWaalsContact O-CA 3.23Å; Q926-S942 WeakPolarHBondContact O-CA 3.47Å; S942-L956 WeakPolarHBondContact OG-CD1 3.34Å |
| 943 | R | 81.1 | Confident | 76.4 | Confident | 20 Ų | 20 | 47.1 Ų | 47.1 | 8% | 0.075 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 136.2 | 170.4 | 64.4 | 176.8 | -176 | 173 | -0.8 | 110.6 | N801 M804 I805 Y806 Q926 F928 | N801-R943 PolarHBondContact OD1-NH1 3.24Å; M804-R943 HydrophobicContact CE-CB 3.95Å; M804-R943 HydrophobicContact CE-CG 3.71Å; I805-R943 VanDerWaalsContact O-CA 3.31Å; I805-R943 WeakPolarHBondContact O-CA 3.36Å; Y806-R943 HydrophobicContact CD1-CB 3.76Å; Y806-R943 HydrophobicContact CE1-CB 3.74Å; Q926-R943 HydrophobicContact CB-CG 3.84Å; Q926-R943 VanDerWaalsContact CD-NE 3.26Å; Q926-R943 VanDerWaalsContact CD-NH2 3.34Å; Q926-R943 HydrophobicContact CG-CG 4.28Å; Q926-R943 PolarHBondContact N-O 3.29Å; Q926-R943 PolarHBondContact O-N 3.17Å; F928-R943 HydrophobicContact CE2-CG 4.25Å |
| 944 | C | 82.4 | Confident | 76.5 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.007 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 160.6 | 175.9 | 71.6 | 0 | 0 | 0 | 0 | 112.6 | M804 I805 E924 I925 H948 T952 | M804-C944 CarbonylContact C-O 3.59Å; M804-C944 WeakPolarHBondContact CA-O 3.35Å; I805-C944 PolarHBondContact N-O 3.44Å; I805-C944 PolarHBondContact O-N 2.72Å; E924-C944 VanDerWaalsContact O-CA 3.28Å; E924-C944 WeakPolarHBondContact O-CA 3.28Å; I925-C944 HydrophobicContact CG1-CB 4.36Å; C944-H948 HydrophobicContact CB-CB 4.41Å; C944-T952 HydrophobicContact CB-CG2 4.1Å; C944-T952 WeakPolarHBondContact CB-OG1 3.41Å; C944-T952 PolarHBondContact SG-OG1 3.16Å; C944-T952 VanDerWaalsContact SG-OG1 3.41Å |
| 945 | L | 76.6 | Confident | 77 | Confident | 48 Ų | 48 | 41.7 Ų | 41.7 | 25% | 0.251 | 22% | 0.218 | S | C | . | . | trans | -67.5 | 151.9 | 164.8 | -69.8 | 169.9 | 0 | 0 | 0 | 110.4 | R803 M804 E924 C947 H948 | R803-L945 HydrophobicContact CB-CD2 4.24Å; M804-L945 HydrophobicContact SD-CB 4.47Å; M804-L945 HydrophobicContact SD-CD2 3.76Å; M804-L945 HydrophobicContact SD-CG 3.76Å; M804-L945 PolarHBondContact SD-N 3.11Å; M804-L945 VanDerWaalsContact SD-N 3.45Å; E924-L945 HydrophobicContact CB-CD1 4.14Å; E924-L945 HydrophobicContact CG-CD1 3.86Å; E924-L945 PolarHBondContact O-N 3.47Å; L945-C947 PolarHBondContact O-N 3.39Å; L945-H948 PolarHBondContact O-N 3.09Å | ||
| 946 | P | 71.8 | Confident | 77.4 | Confident | 70 Ų | 70 | 35.6 Ų | 35.6 | 46% | 0.455 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -56.9 | -26.8 | -178.1 | -25.9 | 33.6 | 0 | 0 | 0 | 114.7 | R803 I805 H948 I949 | R803-P946 VanDerWaalsContact O-CD 3.3Å; R803-P946 WeakPolarHBondContact O-CD 3.45Å; I805-P946 HydrophobicContact CD1-CB 3.83Å; I805-P946 HydrophobicContact CD1-CG 3.89Å; I805-P946 HydrophobicContact CG1-CB 4.45Å; I805-P946 HydrophobicContact CG1-CG 3.99Å; P946-H948 VanDerWaalsContact C-N 3.28Å; P946-H948 PolarHBondContact O-N 3.42Å; P946-I949 VanDerWaalsContact O-CD1 3.25Å; P946-I949 WeakPolarHBondContact O-CD1 3.49Å; P946-I949 VanDerWaalsContact O-CG1 3.3Å; P946-I949 WeakPolarHBondContact O-CG1 3.29Å |
| 947 | C | 74.6 | Confident | 77.4 | Confident | 101 Ų | 101 | 35.4 Ų | 35.4 | 68% | 0.682 | 19% | 0.19 | S | C | * | . | G | 310 helix | trans | -73.6 | -15.4 | 177.6 | 52.2 | 0 | 0 | 0 | 0 | 114.1 | L945 | L945-C947 PolarHBondContact O-N 3.39Š|
| 948 | H | 75.6 | Confident | 77.1 | Confident | 24 Ų | 24 | 39.7 Ų | 39.7 | 11% | 0.111 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -110.1 | 16.2 | -175.1 | -66.5 | -72.5 | 0 | 0 | 0 | 114 | H905 E924 I925 C944 L945 P946 H950 Q951 T952 | H905-H948 AromaticContact CE1-CE1 3.94Å; H905-H948 AromaticContact NE2-CE1 3.73Å; E924-H948 IonicContact OE2-CE1 2.78Å; E924-H948 IonicContact OE2-NE2 3.12Å; E924-H948 PolarHBondContact OE2-NE2 3.08Å; I925-H948 HydrophobicContact CD1-CB 3.79Å; I925-H948 HydrophobicContact CG1-CB 3.7Å; C944-H948 HydrophobicContact CB-CB 4.41Å; L945-H948 PolarHBondContact O-N 3.09Å; P946-H948 VanDerWaalsContact C-N 3.28Å; P946-H948 PolarHBondContact O-N 3.42Å; H948-H950 PolarHBondContact O-N 3.26Å; H948-Q951 PolarHBondContact ND1-OE1 3.34Å; H948-Q951 PolarHBondContact O-N 3.16Å; H948-T952 WeakPolarHBondContact O-CB 3.44Å; H948-T952 PolarHBondContact O-N 3.24Å; H948-T952 PolarHBondContact O-OG1 3.3Å |
| 949 | I | 71.4 | Confident | 76.9 | Confident | 33 Ų | 33 | 39.9 Ų | 39.9 | 17% | 0.169 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -54.8 | -50.6 | -177.9 | -66.9 | 166.4 | 0 | 0 | 0 | 111.5 | I805 P946 Q951 T952 F953 W996 | I805-I949 HydrophobicContact CD1-CD1 3.67Å; I805-I949 HydrophobicContact CD1-CG1 4.04Å; P946-I949 VanDerWaalsContact O-CD1 3.25Å; P946-I949 WeakPolarHBondContact O-CD1 3.49Å; P946-I949 VanDerWaalsContact O-CG1 3.3Å; P946-I949 WeakPolarHBondContact O-CG1 3.29Å; I949-Q951 PolarHBondContact O-N 3.33Å; I949-T952 PolarHBondContact O-N 3.28Å; I949-F953 WeakPolarHBondContact O-CB 3.27Å; I949-F953 PolarHBondContact O-N 3.47Å; I949-W996 HydrophobicContact CG2-CH2 3.93Å; I949-W996 HydrophobicContact CG2-CZ2 3.91Å; I949-W996 HydrophobicContact CG2-CZ3 4.27Å |
| 950 | H | 69.6 | Low | 76.8 | Confident | 166 Ų | 166 | 39.3 Ų | 39.3 | 77% | 0.769 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -62.8 | -38.9 | -178.4 | -69.6 | -67.7 | 0 | 0 | 0 | 113.4 | H948 F953 S954 | H948-H950 PolarHBondContact O-N 3.26Å; H950-F953 PolarHBondContact O-N 3.02Å; H950-S954 PolarHBondContact O-N 3Å |
| 951 | Q | 72.6 | Confident | 76.4 | Confident | 92 Ų | 92 | 43.2 Ų | 43.2 | 43% | 0.43 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -69 | -41.8 | 177.4 | -74.8 | 176.3 | -23.3 | 0 | 0 | 111.5 | I925 H948 I949 F953 S954 L955 | I925-Q951 HydrophobicContact CD1-CB 3.83Å; H948-Q951 PolarHBondContact ND1-OE1 3.34Å; H948-Q951 PolarHBondContact O-N 3.16Å; I949-Q951 PolarHBondContact O-N 3.33Å; Q951-F953 VanDerWaalsContact C-N 3.28Å; Q951-F953 PolarHBondContact O-N 2.72Å; Q951-S954 PolarHBondContact O-N 3.22Å; Q951-L955 PolarHBondContact O-N 2.91Å |
| 952 | T | 77.2 | Confident | 76.3 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.9 | -38.8 | 175.9 | -51 | 0 | 0 | 0 | 0 | 110.8 | I925 C944 H948 I949 L955 L956 | I925-T952 HydrophobicContact CG2-CG2 4.11Å; I925-T952 WeakPolarHBondContact CG2-OG1 3.49Å; C944-T952 HydrophobicContact CB-CG2 4.1Å; C944-T952 WeakPolarHBondContact CB-OG1 3.41Å; C944-T952 PolarHBondContact SG-OG1 3.16Å; C944-T952 VanDerWaalsContact SG-OG1 3.41Å; H948-T952 WeakPolarHBondContact O-CB 3.44Å; H948-T952 PolarHBondContact O-N 3.24Å; H948-T952 PolarHBondContact O-OG1 3.3Å; I949-T952 PolarHBondContact O-N 3.28Å; T952-L955 PolarHBondContact O-N 2.97Å; T952-L956 HydrophobicContact CG2-CD1 4.48Å; T952-L956 WeakPolarHBondContact O-CB 3.42Å; T952-L956 WeakPolarHBondContact O-CG 3.34Å; T952-L956 PolarHBondContact O-N 3.39Å |
| 953 | F | 72.2 | Confident | 76.2 | Confident | 38 Ų | 38 | 43.7 Ų | 43.7 | 17% | 0.167 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.9 | -48.2 | 175.4 | -173.9 | -103.7 | 0 | 0 | 0 | 112.7 | I949 H950 Q951 L955 L956 H957 W996 T1004 L1008 | I949-F953 WeakPolarHBondContact O-CB 3.27Å; I949-F953 PolarHBondContact O-N 3.47Å; H950-F953 PolarHBondContact O-N 3.02Å; Q951-F953 VanDerWaalsContact C-N 3.28Å; Q951-F953 PolarHBondContact O-N 2.72Å; F953-L955 VanDerWaalsContact C-N 3.25Å; F953-L955 PolarHBondContact O-N 3.14Å; F953-L956 WeakPolarHBondContact O-CB 3.48Å; F953-L956 PolarHBondContact O-N 3.26Å; F953-H957 HydrophobicContact CE1-CB 4.49Å; F953-H957 PolarHBondContact O-N 2.84Å; F953-W996 HydrophobicContact CB-CH2 3.89Å; F953-W996 HydrophobicContact CB-CZ3 4.38Å; F953-W996 HydrophobicContact CD2-CH2 4.04Å; F953-W996 AromaticContact CD2-CZ3 3.92Å; F953-W996 HydrophobicContact CD2-CZ3 3.92Å; F953-W996 HydrophobicContact CG-CH2 4.42Å; F953-W996 HydrophobicContact CG-CZ3 4.5Å; F953-T1004 HydrophobicContact CD1-CG2 3.7Å; F953-T1004 HydrophobicContact CD2-CG2 3.54Å; F953-T1004 HydrophobicContact CE1-CG2 3.36Å; F953-T1004 HydrophobicContact CE2-CG2 3.22Å; F953-T1004 HydrophobicContact CG-CG2 3.79Å; F953-T1004 HydrophobicContact CZ-CG2 3.13Å; F953-L1008 HydrophobicContact CE2-CD1 4.41Å; F953-L1008 HydrophobicContact CZ-CD1 4.24Å |
| 954 | S | 69.2 | Low | 76.2 | Confident | 60 Ų | 60 | 43.9 Ų | 43.9 | 42% | 0.42 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -57.3 | -42.9 | 177.3 | -165.9 | 0 | 0 | 0 | 0 | 111.1 | H950 Q951 H957 E958 | H950-S954 PolarHBondContact O-N 3Å; Q951-S954 PolarHBondContact O-N 3.22Å; S954-H957 PolarHBondContact O-N 3.38Å; S954-E958 WeakPolarHBondContact O-CG 3.12Å; S954-E958 PolarHBondContact O-N 2.93Å |
| 955 | L | 76.9 | Confident | 76.1 | Confident | 23 Ų | 23 | 48.2 Ų | 48.2 | 12% | 0.12 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69 | -39.5 | 178.4 | -171.2 | 71 | 0 | 0 | 0 | 112.2 | W907 I918 I927 Q951 T952 F953 H957 E958 T959 | W907-L955 HydrophobicContact CE3-CD2 4.14Å; W907-L955 HydrophobicContact CH2-CD2 3.44Å; W907-L955 VanDerWaalsContact CH2-CD2 3.44Å; W907-L955 HydrophobicContact CZ2-CD2 4.1Å; W907-L955 HydrophobicContact CZ3-CD2 3.44Å; W907-L955 VanDerWaalsContact CZ3-CD2 3.44Å; I918-L955 HydrophobicContact CG2-CD2 4.27Å; I927-L955 HydrophobicContact CD1-CB 3.88Å; I927-L955 HydrophobicContact CD1-CD2 3.38Å; I927-L955 HydrophobicContact CD1-CG 3.5Å; I927-L955 VanDerWaalsContact CD1-CG 3.5Å; I927-L955 HydrophobicContact CG1-CD2 4.03Å; Q951-L955 PolarHBondContact O-N 2.91Å; T952-L955 PolarHBondContact O-N 2.97Å; F953-L955 VanDerWaalsContact C-N 3.25Å; F953-L955 PolarHBondContact O-N 3.14Å; L955-H957 VanDerWaalsContact C-N 3.34Å; L955-H957 PolarHBondContact O-N 3.08Å; L955-E958 PolarHBondContact O-N 3.26Å; L955-T959 VanDerWaalsContact O-CG2 3.28Å; L955-T959 WeakPolarHBondContact O-CG2 3.25Å; L955-T959 PolarHBondContact O-N 3.28Å; L955-T959 PolarHBondContact O-OG1 2.91Å |
| 956 | L | 77.7 | Confident | 76.3 | Confident | 10 Ų | 10 | 46.7 Ų | 46.7 | 5% | 0.052 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.5 | -46.7 | 172.5 | -84.6 | 168.9 | 0 | 0 | 0 | 111.1 | I927 I940 S942 T952 F953 T959 V960 | I927-L956 HydrophobicContact CD1-CD2 4.12Å; I927-L956 HydrophobicContact CD1-CG 4.01Å; I927-L956 HydrophobicContact CG2-CD2 4.39Å; I940-L956 HydrophobicContact CG2-CD2 3.68Å; S942-L956 WeakPolarHBondContact OG-CD1 3.34Å; T952-L956 HydrophobicContact CG2-CD1 4.48Å; T952-L956 WeakPolarHBondContact O-CB 3.42Å; T952-L956 WeakPolarHBondContact O-CG 3.34Å; T952-L956 PolarHBondContact O-N 3.39Å; F953-L956 WeakPolarHBondContact O-CB 3.48Å; F953-L956 PolarHBondContact O-N 3.26Å; L956-T959 WeakPolarHBondContact CA-OG1 3.4Å; L956-T959 PolarHBondContact O-N 3.37Å; L956-T959 PolarHBondContact O-OG1 2.91Å; L956-V960 WeakPolarHBondContact O-CG2 3.33Å; L956-V960 PolarHBondContact O-N 3.22Å |
| 957 | H | 72.8 | Confident | 76.8 | Confident | 32 Ų | 32 | 43.4 Ų | 43.4 | 15% | 0.148 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.6 | -49.1 | 177.3 | 174.6 | -82.1 | 0 | 0 | 0 | 111.5 | F953 S954 L955 T959 V960 H961 L1008 Q1011 | F953-H957 HydrophobicContact CE1-CB 4.49Å; F953-H957 PolarHBondContact O-N 2.84Å; S954-H957 PolarHBondContact O-N 3.38Å; L955-H957 VanDerWaalsContact C-N 3.34Å; L955-H957 PolarHBondContact O-N 3.08Å; H957-T959 PolarHBondContact O-N 3.41Å; H957-V960 PolarHBondContact O-N 2.9Å; H957-H961 WeakPolarHBondContact O-CB 3.47Å; H957-H961 PolarHBondContact O-N 3.36Å; H957-L1008 HydrophobicContact CB-CD2 4.47Å; H957-L1008 WeakPolarHBondContact CD2-CD2 3.16Å; H957-Q1011 PolarHBondContact CE1-OE1 3.12Å; H957-Q1011 VanDerWaalsContact CE1-OE1 3.28Å; H957-Q1011 PolarHBondContact NE2-OE1 2.95Å |
| 958 | E | 75.7 | Confident | 77 | Confident | 100 Ų | 100 | 42 Ų | 42 | 47% | 0.467 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.2 | -43 | 177.1 | -74.8 | 177.6 | -175.1 | 0 | 0 | 112.2 | S954 L955 H961 L962 | S954-E958 WeakPolarHBondContact O-CG 3.12Å; S954-E958 PolarHBondContact O-N 2.93Å; L955-E958 PolarHBondContact O-N 3.26Å; E958-H961 PolarHBondContact O-N 3.43Å; E958-L962 WeakPolarHBondContact O-CB 3.47Å; E958-L962 PolarHBondContact O-N 3.39Å |
| 959 | T | 81 | Confident | 77.2 | Confident | 4 Ų | 4 | 47.4 Ų | 47.4 | 3% | 0.025 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.7 | -43.2 | 178.6 | 56.6 | 0 | 0 | 0 | 0 | 112.5 | L829 I918 L955 L956 H957 L962 I963 | L829-T959 HydrophobicContact CD2-CG2 4.21Å; I918-T959 HydrophobicContact CD1-CG2 3.95Å; L955-T959 VanDerWaalsContact O-CG2 3.28Å; L955-T959 WeakPolarHBondContact O-CG2 3.25Å; L955-T959 PolarHBondContact O-N 3.28Å; L955-T959 PolarHBondContact O-OG1 2.91Å; L956-T959 WeakPolarHBondContact CA-OG1 3.4Å; L956-T959 PolarHBondContact O-N 3.37Å; L956-T959 PolarHBondContact O-OG1 2.91Å; H957-T959 PolarHBondContact O-N 3.41Å; T959-L962 PolarHBondContact O-N 3.21Å; T959-I963 WeakPolarHBondContact O-CD1 3.42Å; T959-I963 VanDerWaalsContact O-CG1 3.26Å; T959-I963 WeakPolarHBondContact O-CG1 3.44Å; T959-I963 PolarHBondContact O-N 3.17Å |
| 960 | V | 81.1 | Confident | 77.6 | Confident | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.012 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.8 | -41.2 | 176.2 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | L809 I940 L956 H957 L962 I963 T964 L978 | L809-V960 HydrophobicContact CD1-CG2 4.19Å; I940-V960 HydrophobicContact CD1-CG2 3.85Å; L956-V960 WeakPolarHBondContact O-CG2 3.33Å; L956-V960 PolarHBondContact O-N 3.22Å; H957-V960 PolarHBondContact O-N 2.9Å; V960-L962 PolarHBondContact O-N 2.89Å; V960-I963 PolarHBondContact O-N 3.29Å; V960-T964 WeakPolarHBondContact O-CB 3.43Å; V960-T964 PolarHBondContact O-N 3.43Å; V960-T964 PolarHBondContact O-OG1 3.01Å; V960-L978 HydrophobicContact CG1-CD2 4.47Å |
| 961 | H | 77.1 | Confident | 78.2 | Confident | 81 Ų | 81 | 38.2 Ų | 38.2 | 38% | 0.375 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.1 | -45.5 | 176.9 | -173.6 | 64.7 | 0 | 0 | 0 | 111.4 | H957 E958 T964 Q965 | H957-H961 WeakPolarHBondContact O-CB 3.47Å; H957-H961 PolarHBondContact O-N 3.36Å; E958-H961 PolarHBondContact O-N 3.43Å; H961-T964 PolarHBondContact O-N 2.95Å; H961-Q965 PolarHBondContact CD2-NE2 2.72Å; H961-Q965 VanDerWaalsContact CD2-NE2 3.31Å; H961-Q965 PolarHBondContact NE2-NE2 3.09Å; H961-Q965 WeakPolarHBondContact O-CG 3.36Å; H961-Q965 PolarHBondContact O-N 3.33Å |
| 962 | L | 81.7 | Confident | 78.4 | Confident | 12 Ų | 12 | 36.8 Ų | 36.8 | 6% | 0.063 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.4 | -44.6 | 176.5 | 179.1 | 148 | 0 | 0 | 0 | 112.3 | Q828 L829 E832 E958 T959 V960 T964 Q965 V966 | Q828-L962 HydrophobicContact CB-CD1 4.4Å; Q828-L962 HydrophobicContact CB-CD2 4Å; Q828-L962 HydrophobicContact CB-CG 4.3Å; Q828-L962 HydrophobicContact CG-CD1 3.69Å; Q828-L962 HydrophobicContact CG-CD2 3.94Å; Q828-L962 HydrophobicContact CG-CG 3.67Å; L829-L962 HydrophobicContact CD2-CD1 4.25Å; L829-L962 HydrophobicContact CD2-CD2 3.85Å; L829-L962 HydrophobicContact CG-CD2 3.86Å; E832-L962 HydrophobicContact CB-CD1 4.22Å; E832-L962 HydrophobicContact CG-CD1 3.34Å; E958-L962 WeakPolarHBondContact O-CB 3.47Å; E958-L962 PolarHBondContact O-N 3.39Å; T959-L962 PolarHBondContact O-N 3.21Å; V960-L962 PolarHBondContact O-N 2.89Å; L962-T964 VanDerWaalsContact C-N 3.3Å; L962-T964 PolarHBondContact O-N 3.06Å; L962-Q965 PolarHBondContact O-N 3.21Å; L962-V966 HydrophobicContact CD2-CG2 4.45Å; L962-V966 WeakPolarHBondContact O-CG2 3.38Å; L962-V966 PolarHBondContact O-N 2.69Å |
| 963 | I | 82.4 | Confident | 78.4 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.4 | -45.8 | 174.8 | -69.6 | 162.2 | 0 | 0 | 0 | 110.2 | L811 I825 L929 L938 I940 T959 V960 Q965 V966 I967 | L811-I963 HydrophobicContact CD1-CD1 4.32Å; L811-I963 HydrophobicContact CD1-CG2 4.08Å; I825-I963 HydrophobicContact CD1-CG1 4.31Å; I825-I963 HydrophobicContact CD1-CG2 4.05Å; I825-I963 HydrophobicContact CG1-CG1 4.43Å; I825-I963 HydrophobicContact CG2-CG1 3.82Å; L929-I963 HydrophobicContact CD2-CD1 3.43Å; L929-I963 VanDerWaalsContact CD2-CD1 3.43Å; L929-I963 HydrophobicContact CD2-CG1 4.48Å; L938-I963 HydrophobicContact CD2-CD1 3.88Å; L938-I963 HydrophobicContact CD2-CG2 4.1Å; I940-I963 HydrophobicContact CD1-CD1 3.72Å; T959-I963 WeakPolarHBondContact O-CD1 3.42Å; T959-I963 VanDerWaalsContact O-CG1 3.26Å; T959-I963 WeakPolarHBondContact O-CG1 3.44Å; T959-I963 PolarHBondContact O-N 3.17Å; V960-I963 PolarHBondContact O-N 3.29Å; I963-Q965 VanDerWaalsContact C-N 3.34Å; I963-Q965 PolarHBondContact O-N 3.22Å; I963-V966 PolarHBondContact O-N 3.47Å; I963-I967 HydrophobicContact CG2-CD1 3.54Å; I963-I967 HydrophobicContact CG2-CG1 4.28Å; I963-I967 WeakPolarHBondContact O-CG1 3.41Å; I963-I967 PolarHBondContact O-N 2.79Å |
| 964 | T | 80.4 | Confident | 78.7 | Confident | 25 Ų | 25 | 36.8 Ų | 36.8 | 15% | 0.153 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.7 | -40 | 179.8 | -52.3 | 0 | 0 | 0 | 0 | 111.6 | V960 H961 L962 I967 S968 L976 | V960-T964 WeakPolarHBondContact O-CB 3.43Å; V960-T964 PolarHBondContact O-N 3.43Å; V960-T964 PolarHBondContact O-OG1 3.01Å; H961-T964 PolarHBondContact O-N 2.95Å; L962-T964 VanDerWaalsContact C-N 3.3Å; L962-T964 PolarHBondContact O-N 3.06Å; T964-I967 PolarHBondContact O-N 3.07Å; T964-S968 WeakPolarHBondContact O-CB 3.34Å; T964-S968 PolarHBondContact O-N 3.37Å; T964-S968 PolarHBondContact O-OG 3.22Å; T964-L976 HydrophobicContact CG2-CD1 4.09Å |
| 965 | Q | 79.9 | Confident | 78.8 | Confident | 92 Ų | 92 | 39.5 Ų | 39.5 | 43% | 0.43 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.8 | -41.6 | 173.9 | -73.6 | -178.8 | -7.1 | 0 | 0 | 112.7 | H961 L962 I963 I967 S968 K969 | H961-Q965 PolarHBondContact CD2-NE2 2.72Å; H961-Q965 VanDerWaalsContact CD2-NE2 3.31Å; H961-Q965 PolarHBondContact NE2-NE2 3.09Å; H961-Q965 WeakPolarHBondContact O-CG 3.36Å; H961-Q965 PolarHBondContact O-N 3.33Å; L962-Q965 PolarHBondContact O-N 3.21Å; I963-Q965 VanDerWaalsContact C-N 3.34Å; I963-Q965 PolarHBondContact O-N 3.22Å; Q965-I967 VanDerWaalsContact C-N 3.33Å; Q965-S968 PolarHBondContact O-OG 2.78Å; Q965-S968 VanDerWaalsContact O-OG 3.08Å; Q965-K969 WeakPolarHBondContact O-CB 3.46Å; Q965-K969 PolarHBondContact O-N 2.81Å; Q965-K969 VanDerWaalsContact O-N 3.13Å |
| 966 | V | 82.4 | Confident | 78.5 | Confident | 15 Ų | 15 | 41 Ų | 41 | 9% | 0.091 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.6 | -44.5 | 176 | 173.1 | 0 | 0 | 0 | 0 | 109.6 | R824 I825 Q828 L962 I963 K969 C970 | R824-V966 HydrophobicContact CB-CG1 3.69Å; I825-V966 HydrophobicContact CG1-CB 4.35Å; I825-V966 HydrophobicContact CG1-CG1 4.02Å; Q828-V966 HydrophobicContact CB-CG2 3.98Å; Q828-V966 HydrophobicContact CG-CG2 4.12Å; L962-V966 HydrophobicContact CD2-CG2 4.45Å; L962-V966 WeakPolarHBondContact O-CG2 3.38Å; L962-V966 PolarHBondContact O-N 2.69Å; I963-V966 PolarHBondContact O-N 3.47Å; V966-K969 PolarHBondContact O-N 2.81Å; V966-C970 WeakPolarHBondContact O-CB 3.34Å; V966-C970 PolarHBondContact O-N 3.33Å; V966-C970 PolarHBondContact O-SG 3.18Å |
| 967 | I | 82 | Confident | 78.3 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.2 | -48.2 | 179.8 | -65.9 | 170.9 | 0 | 0 | 0 | 110.9 | F818 L821 I963 T964 Q965 K969 C970 C971 L974 L976 | F818-I967 HydrophobicContact CE1-CD1 3.72Å; F818-I967 HydrophobicContact CZ-CD1 4.39Å; L821-I967 HydrophobicContact CD1-CG1 4.17Å; I963-I967 HydrophobicContact CG2-CD1 3.54Å; I963-I967 HydrophobicContact CG2-CG1 4.28Å; I963-I967 WeakPolarHBondContact O-CG1 3.41Å; I963-I967 PolarHBondContact O-N 2.79Å; T964-I967 PolarHBondContact O-N 3.07Å; Q965-I967 VanDerWaalsContact C-N 3.33Å; I967-K969 PolarHBondContact O-N 3.46Å; I967-C970 PolarHBondContact O-N 3.26Å; I967-C970 VanDerWaalsContact O-N 3.17Å; I967-C971 CarbonylContact O-C 3.55Å; I967-C971 VanDerWaalsContact O-C 3.29Å; I967-C971 WeakPolarHBondContact O-CA 3.46Å; I967-C971 PolarHBondContact O-N 3.28Å; I967-L974 HydrophobicContact CG2-CB 4.13Å; I967-L974 HydrophobicContact CG2-CD2 3.64Å; I967-L976 HydrophobicContact CB-CD1 4.21Å; I967-L976 HydrophobicContact CD1-CD1 3.92Å; I967-L976 HydrophobicContact CD1-CD2 3.57Å; I967-L976 HydrophobicContact CD1-CG 4.3Å; I967-L976 HydrophobicContact CG2-CD1 3.91Å; I967-L976 HydrophobicContact CG2-CG 4.34Å |
| 968 | S | 78.7 | Confident | 78.3 | Confident | 73 Ų | 73 | 47.3 Ų | 47.3 | 51% | 0.51 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.4 | -31.7 | 179.5 | 67.8 | 0 | 0 | 0 | 0 | 112.6 | T964 Q965 | T964-S968 WeakPolarHBondContact O-CB 3.34Å; T964-S968 PolarHBondContact O-N 3.37Å; T964-S968 PolarHBondContact O-OG 3.22Å; Q965-S968 PolarHBondContact O-OG 2.78Å; Q965-S968 VanDerWaalsContact O-OG 3.08Å |
| 969 | K | 78.7 | Confident | 78 | Confident | 136 Ų | 136 | 47.1 Ų | 47.1 | 59% | 0.591 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -73.1 | -41.6 | 175 | -172.7 | 179.8 | 178.4 | -173.7 | 0 | 113.1 | Q965 V966 I967 | Q965-K969 WeakPolarHBondContact O-CB 3.46Å; Q965-K969 PolarHBondContact O-N 2.81Å; Q965-K969 VanDerWaalsContact O-N 3.13Å; V966-K969 PolarHBondContact O-N 2.81Å; I967-K969 PolarHBondContact O-N 3.46Å |
| 970 | C | 80.5 | Confident | 77.4 | Confident | 6 Ų | 6 | 49 Ų | 49 | 4% | 0.041 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -92.4 | -33.8 | -172.1 | -52.4 | 0 | 0 | 0 | 0 | 113.1 | L821 R824 V966 I967 | L821-C970 HydrophobicContact CD2-CB 3.62Å; R824-C970 WeakPolarHBondContact CD-SG 3.43Å; R824-C970 PolarHBondContact NH1-SG 3.34Å; V966-C970 WeakPolarHBondContact O-CB 3.34Å; V966-C970 PolarHBondContact O-N 3.33Å; V966-C970 PolarHBondContact O-SG 3.18Å; I967-C970 PolarHBondContact O-N 3.26Å; I967-C970 VanDerWaalsContact O-N 3.17Å |
| 971 | C | 82.1 | Confident | 76.8 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.007 | 25% | 0.253 | C | S | . | . | trans | -136.2 | 76.6 | -174.9 | -61.9 | 0 | 0 | 0 | 0 | 110 | A434 I967 N973 L974 | A434-C971 HydrophobicContact CB-CB 4.28Å; A434-C971 CarbonylContact O-C 3.58Å; A434-C971 WeakPolarHBondContact O-CA 3.46Å; A434-C971 WeakPolarHBondContact O-CB 3.25Å; I967-C971 CarbonylContact O-C 3.55Å; I967-C971 VanDerWaalsContact O-C 3.29Å; I967-C971 WeakPolarHBondContact O-CA 3.46Å; I967-C971 PolarHBondContact O-N 3.28Å; C971-N973 PolarHBondContact O-N 3.29Å; C971-N973 VanDerWaalsContact O-N 3.17Å; C971-L974 HydrophobicContact CB-CB 3.82Å; C971-L974 HydrophobicContact CB-CD2 4.35Å; C971-L974 WeakPolarHBondContact O-CB 3.43Å; C971-L974 PolarHBondContact O-N 3.35Å | ||
| 972 | P | 76.6 | Confident | 76.2 | Confident | 61 Ų | 61 | 50.3 Ų | 50.3 | 40% | 0.396 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -22.5 | -173.2 | 25 | -35.6 | 0 | 0 | 0 | 114.6 | A434 P437 | A434-P972 VanDerWaalsContact O-CD 3.29Å; A434-P972 WeakPolarHBondContact O-CD 3.41Å; P437-P972 HydrophobicContact CB-CG 4.18Å |
| 973 | N | 77.6 | Confident | 75.2 | Confident | 25 Ų | 25 | 52.5 Ų | 52.5 | 13% | 0.134 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 12.4 | -176.7 | -55.2 | -17 | 0 | 0 | 0 | 113 | Y433 A434 I436 V438 C971 | Y433-N973 HydrophobicContact CD1-CB 4.35Å; Y433-N973 HydrophobicContact CE1-CB 3.89Å; Y433-N973 HydrophobicContact CE2-CB 4.32Å; Y433-N973 WeakPolarHBondContact O-CB 3.34Å; Y433-N973 PolarHBondContact O-ND2 2.97Å; A434-N973 PolarHBondContact O-N 2.79Å; I436-N973 PolarHBondContact O-ND2 3.22Å; V438-N973 WeakPolarHBondContact CG2-OD1 3.1Å; C971-N973 PolarHBondContact O-N 3.29Å; C971-N973 VanDerWaalsContact O-N 3.17Å |
| 974 | L | 78.1 | Confident | 74.2 | Confident | 14 Ų | 14 | 58.1 Ų | 58.1 | 7% | 0.073 | 31% | 0.307 | C | S | . | . | trans | -86 | 113.2 | -178.6 | -161.6 | 83.3 | 0 | 0 | 0 | 109.8 | A434 T813 Q817 L821 I967 C971 | A434-L974 HydrophobicContact CB-CD1 3.92Å; T813-L974 HydrophobicContact CG2-CD2 3.32Å; T813-L974 HydrophobicContact CG2-CG 3.87Å; Q817-L974 HydrophobicContact CG-CD1 4.43Å; L821-L974 HydrophobicContact CD1-CD2 4.44Å; I967-L974 HydrophobicContact CG2-CB 4.13Å; I967-L974 HydrophobicContact CG2-CD2 3.64Å; C971-L974 HydrophobicContact CB-CB 3.82Å; C971-L974 HydrophobicContact CB-CD2 4.35Å; C971-L974 WeakPolarHBondContact O-CB 3.43Å; C971-L974 PolarHBondContact O-N 3.35Å | ||
| 975 | D | 70.4 | Confident | 73.3 | Confident | 116 Ų | 116 | 59 Ų | 59 | 62% | 0.62 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 127.8 | 172.9 | -70.3 | -33.6 | 0 | 0 | 0 | 110.2 | ||
| 976 | L | 72.5 | Confident | 72.7 | Confident | 54 Ų | 54 | 54.6 Ų | 54.6 | 28% | 0.283 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 115.7 | 179.4 | -75.8 | 161.6 | 0 | 0 | 0 | 109.7 | L811 T813 F818 T964 I967 | L811-L976 HydrophobicContact CD2-CD2 4.31Å; T813-L976 HydrophobicContact CG2-CD2 3.36Å; T813-L976 HydrophobicContact CG2-CG 4.29Å; F818-L976 HydrophobicContact CZ-CD2 4.01Å; T964-L976 HydrophobicContact CG2-CD1 4.09Å; I967-L976 HydrophobicContact CB-CD1 4.21Å; I967-L976 HydrophobicContact CD1-CD1 3.92Å; I967-L976 HydrophobicContact CD1-CD2 3.57Å; I967-L976 HydrophobicContact CD1-CG 4.3Å; I967-L976 HydrophobicContact CG2-CD1 3.91Å; I967-L976 HydrophobicContact CG2-CG 4.34Å |
| 977 | E | 72.7 | Confident | 71.7 | Confident | 125 Ų | 125 | 56.8 Ų | 56.8 | 58% | 0.584 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 125.7 | 170.2 | -166.2 | -177.1 | 173.3 | 0 | 0 | 109.5 | I812 | I812-E977 HydrophobicContact CB-CB 4.32Å; I812-E977 PolarHBondContact N-O 3.3Å; I812-E977 PolarHBondContact O-N 3.31Å |
| 978 | L | 72.1 | Confident | 70.7 | Confident | 50 Ų | 50 | 64.1 Ų | 64.1 | 26% | 0.262 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 108 | 176.9 | -86.6 | 156 | 0 | 0 | 0 | 109 | L811 V960 | L811-L978 HydrophobicContact CD2-CD2 3.35Å; L811-L978 HydrophobicContact CD2-CG 3.65Å; L811-L978 HydrophobicContact CG-CD2 4Å; V960-L978 HydrophobicContact CG1-CD2 4.47Å |
| 979 | K | 70.9 | Confident | 69.7 | Low | 97 Ų | 97 | 64.1 Ų | 64.1 | 42% | 0.422 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 135.4 | 174.1 | -176.5 | 176.5 | 176.8 | -174.1 | 0 | 110.4 | Q810 I812 | Q810-K979 HydrophobicContact CB-CB 4.23Å; Q810-K979 PolarHBondContact N-O 2.87Å; Q810-K979 PolarHBondContact O-N 3.15Å; I812-K979 HydrophobicContact CD1-CB 4.25Å; I812-K979 HydrophobicContact CD1-CD 4.23Å |
| 980 | L | 68.3 | Low | 68.7 | Low | 42 Ų | 42 | 57.7 Ų | 57.7 | 22% | 0.22 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 137.4 | 173.4 | -143.3 | 100.3 | 0 | 0 | 0 | 111.7 | L809 L1001 L1005 | L809-L980 HydrophobicContact CD2-CD1 3.48Å; L809-L980 VanDerWaalsContact CD2-CD1 3.48Å; L809-L980 HydrophobicContact CD2-CG 4.35Å; L980-L1001 HydrophobicContact CD1-CD2 3.16Å; L980-L1001 HydrophobicContact CD2-CD1 3.46Å; L980-L1001 VanDerWaalsContact CD2-CD1 3.46Å; L980-L1001 HydrophobicContact CD2-CD2 3.28Å; L980-L1001 HydrophobicContact CD2-CG 3.95Å; L980-L1001 HydrophobicContact CG-CD2 3.73Å; L980-L1005 HydrophobicContact CD1-CD1 3.63Å; L980-L1005 HydrophobicContact CD1-CD2 3.97Å; L980-L1005 HydrophobicContact CD1-CG 3.91Å |
| 981 | L | 68.6 | Low | 67.3 | Low | 9 Ų | 9 | 65.7 Ų | 65.7 | 5% | 0.047 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -87.4 | 125.7 | 177.3 | -64.4 | 176.8 | 0 | 0 | 0 | 110.6 | G808 Q810 F941 D985 L986 | G808-L981 WeakPolarHBondContact O-CB 3.45Å; G808-L981 PolarHBondContact O-N 2.56Å; Q810-L981 HydrophobicContact CB-CD1 4.4Å; Q810-L981 HydrophobicContact CB-CD2 3.78Å; Q810-L981 HydrophobicContact CB-CG 3.99Å; Q810-L981 HydrophobicContact CG-CD2 4.5Å; F941-L981 HydrophobicContact CD1-CD1 4.29Å; F941-L981 HydrophobicContact CE1-CD1 3.6Å; F941-L981 HydrophobicContact CZ-CD1 4.15Å; L981-D985 HydrophobicContact CB-CB 4.22Å; L981-D985 HydrophobicContact CD2-CB 3.94Å; L981-L986 HydrophobicContact CB-CG 4.47Å |
| 982 | N | 63.6 | Low | 65.9 | Low | 103 Ų | 103 | 73.1 Ų | 73.1 | 55% | 0.551 | 38% | 0.376 | S | S | * | . | P | Polyproline II helix | trans | -79.7 | 170.3 | 178.3 | -71.3 | -13.4 | 0 | 0 | 0 | 111.3 | N984 D985 L986 | N982-N984 PolarHBondContact O-N 3.07Å; N982-N984 VanDerWaalsContact O-N 3.12Å; N982-D985 PolarHBondContact O-N 3.28Å; N982-L986 PolarHBondContact O-N 3.26Å |
| 983 | S | 61.2 | Low | 65 | Low | 57 Ų | 57 | 71.2 Ų | 71.2 | 40% | 0.399 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -53.5 | -33.7 | 176.1 | 57.9 | 0 | 0 | 0 | 0 | 113.7 | S987 | S983-S987 WeakPolarHBondContact O-CB 3.37Å; S983-S987 PolarHBondContact O-N 3.47Å |
| 984 | N | 60.7 | Low | 64.1 | Low | 119 Ų | 119 | 76.6 Ų | 76.6 | 64% | 0.636 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -74.6 | -25.3 | 179.2 | -65.8 | -8.2 | 0 | 0 | 0 | 113.3 | N982 S987 | N982-N984 PolarHBondContact O-N 3.07Å; N982-N984 VanDerWaalsContact O-N 3.12Å; N984-S987 PolarHBondContact O-OG 2.87Å |
| 985 | D | 62.7 | Low | 63.3 | Low | 43 Ų | 43 | 78.2 Ų | 78.2 | 23% | 0.23 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -84.2 | -37.5 | 174.7 | -67.1 | -49.7 | 0 | 0 | 0 | 110.5 | L981 N982 S987 K988 | L981-D985 HydrophobicContact CB-CB 4.22Å; L981-D985 HydrophobicContact CD2-CB 3.94Å; N982-D985 PolarHBondContact O-N 3.28Å; D985-S987 VanDerWaalsContact C-N 3.27Å; D985-S987 PolarHBondContact O-N 2.79Å; D985-K988 WeakPolarHBondContact O-CB 3.35Å; D985-K988 PolarHBondContact O-N 2.91Å; D985-K988 IonicContact OD1-NZ 3.88Å; D985-K988 PolarHBondContact OD1-NZ 3.4Å |
| 986 | L | 65.7 | Low | 62.9 | Low | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.4 | -31.1 | 172 | -73.3 | 164.1 | 0 | 0 | 0 | 112.4 | F941 L981 N982 K988 H989 Y990 P993 V995 | F941-L986 HydrophobicContact CD1-CD2 3.89Å; F941-L986 HydrophobicContact CE1-CD2 4.29Å; L981-L986 HydrophobicContact CB-CG 4.47Å; N982-L986 PolarHBondContact O-N 3.26Å; L986-K988 PolarHBondContact O-N 3.14Å; L986-H989 PolarHBondContact O-N 2.87Å; L986-H989 VanDerWaalsContact O-N 3.11Å; L986-Y990 HydrophobicContact CD2-CD2 4.16Å; L986-Y990 HydrophobicContact CD2-CE2 4.13Å; L986-Y990 PolarHBondContact O-N 3.42Å; L986-P993 HydrophobicContact CB-CB 4.21Å; L986-P993 HydrophobicContact CB-CG 3.84Å; L986-V995 HydrophobicContact CD1-CG1 4.1Å; L986-V995 HydrophobicContact CD1-CG2 3.85Å |
| 987 | S | 61.1 | Low | 62.1 | Low | 61 Ų | 61 | 76.3 Ų | 76.3 | 43% | 0.427 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -18.8 | -179.9 | 66.9 | 0 | 0 | 0 | 0 | 114 | S983 N984 D985 H989 Y990 | S983-S987 WeakPolarHBondContact O-CB 3.37Å; S983-S987 PolarHBondContact O-N 3.47Å; N984-S987 PolarHBondContact O-OG 2.87Å; D985-S987 VanDerWaalsContact C-N 3.27Å; D985-S987 PolarHBondContact O-N 2.79Å; S987-H989 PolarHBondContact O-N 2.92Å; S987-Y990 CarbonylContact C-O 3.56Å; S987-Y990 VanDerWaalsContact CA-O 3.3Å; S987-Y990 WeakPolarHBondContact CA-O 3.31Å |
| 988 | K | 62.7 | Low | 60.9 | Low | 155 Ų | 155 | 74 Ų | 74 | 67% | 0.674 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -27.8 | 171.9 | -66.7 | 171.8 | -177.1 | 153.7 | 0 | 112.1 | D985 L986 | D985-K988 WeakPolarHBondContact O-CB 3.35Å; D985-K988 PolarHBondContact O-N 2.91Å; D985-K988 IonicContact OD1-NZ 3.88Å; D985-K988 PolarHBondContact OD1-NZ 3.4Å; L986-K988 PolarHBondContact O-N 3.14Å |
| 989 | H | 56.4 | Low | 59.7 | Low | 72 Ų | 72 | 77.5 Ų | 77.5 | 33% | 0.333 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | -23.7 | -176.8 | -56.2 | -86.2 | 0 | 0 | 0 | 113.7 | W794 F941 L986 S987 | W794-H989 HydrophobicContact CD2-CB 4.17Å; W794-H989 HydrophobicContact CE3-CB 3.48Å; W794-H989 VanDerWaalsContact CE3-CB 3.48Å; W794-H989 HydrophobicContact CH2-CB 3.5Å; W794-H989 AromaticContact CH2-CG 3.59Å; W794-H989 AromaticContact CH2-ND1 3.62Å; W794-H989 HydrophobicContact CZ2-CB 4.2Å; W794-H989 AromaticContact CZ2-ND1 3.7Å; W794-H989 HydrophobicContact CZ3-CB 3.12Å; W794-H989 AromaticContact CZ3-CG 3.78Å; F941-H989 AromaticContact CE1-CD2 3.92Å; F941-H989 AromaticContact CZ-CD2 3.81Å; F941-H989 AromaticContact CZ-NE2 3.83Å; L986-H989 PolarHBondContact O-N 2.87Å; L986-H989 VanDerWaalsContact O-N 3.11Å; S987-H989 PolarHBondContact O-N 2.92Å |
| 990 | Y | 58.2 | Low | 58.7 | Low | 2 Ų | 2 | 77.3 Ų | 77.3 | 1% | 0.008 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -125.8 | 136 | 179.8 | -59.6 | -70.3 | 0 | 0 | 0 | 111.9 | W794 Y806 F941 L986 S987 N992 | W794-Y990 HydrophobicContact CD2-CE1 4.46Å; W794-Y990 AromaticContact CE3-CD1 3.92Å; W794-Y990 HydrophobicContact CE3-CD1 3.92Å; W794-Y990 HydrophobicContact CE3-CD2 4.39Å; W794-Y990 AromaticContact CE3-CE1 3.32Å; W794-Y990 HydrophobicContact CE3-CE1 3.32Å; W794-Y990 AromaticContact CE3-CE2 3.9Å; W794-Y990 HydrophobicContact CE3-CE2 3.9Å; W794-Y990 HydrophobicContact CE3-CG 4.41Å; W794-Y990 AromaticContact CE3-CZ 3.31Å; W794-Y990 HydrophobicContact CZ3-CD1 4.42Å; W794-Y990 HydrophobicContact CZ3-CD2 4.12Å; W794-Y990 AromaticContact CZ3-CE1 3.76Å; W794-Y990 HydrophobicContact CZ3-CE1 3.76Å; W794-Y990 AromaticContact CZ3-CE2 3.42Å; W794-Y990 HydrophobicContact CZ3-CE2 3.42Å; W794-Y990 VanDerWaalsContact CZ3-CE2 3.42Å; W794-Y990 AromaticContact CZ3-CZ 3.19Å; W794-Y990 WeakPolarHBondContact CZ3-OH 3.48Å; Y806-Y990 AromaticContact CD1-CD1 3.8Å; Y806-Y990 HydrophobicContact CD1-CD1 3.8Å; Y806-Y990 AromaticContact CD1-CD2 3.69Å; Y806-Y990 HydrophobicContact CD1-CD2 3.69Å; Y806-Y990 AromaticContact CD1-CE1 3.77Å; Y806-Y990 HydrophobicContact CD1-CE1 3.77Å; Y806-Y990 AromaticContact CD1-CE2 3.63Å; Y806-Y990 HydrophobicContact CD1-CE2 3.63Å; Y806-Y990 AromaticContact CD1-CG 3.76Å; Y806-Y990 HydrophobicContact CD1-CG 3.76Å; Y806-Y990 AromaticContact CD1-CZ 3.69Å; Y806-Y990 AromaticContact CE1-CD1 3.39Å; Y806-Y990 HydrophobicContact CE1-CD1 3.39Å; Y806-Y990 HydrophobicContact CE1-CD2 4.16Å; Y806-Y990 AromaticContact CE1-CE1 3.48Å; Y806-Y990 HydrophobicContact CE1-CE1 3.48Å; Y806-Y990 VanDerWaalsContact CE1-CE1 3.48Å; Y806-Y990 HydrophobicContact CE1-CE2 4.21Å; Y806-Y990 AromaticContact CE1-CG 3.75Å; Y806-Y990 HydrophobicContact CE1-CG 3.75Å; Y806-Y990 AromaticContact CE1-CZ 3.91Å; Y806-Y990 HydrophobicContact CG-CD2 4.27Å; Y806-Y990 HydrophobicContact CG-CE2 4.47Å; Y806-Y990 HydrophobicContact CG-CG 4.44Å; F941-Y990 HydrophobicContact CB-CE2 4.44Å; F941-Y990 HydrophobicContact CD1-CE2 4.28Å; L986-Y990 HydrophobicContact CD2-CD2 4.16Å; L986-Y990 HydrophobicContact CD2-CE2 4.13Å; L986-Y990 PolarHBondContact O-N 3.42Å; S987-Y990 CarbonylContact C-O 3.56Å; S987-Y990 VanDerWaalsContact CA-O 3.3Å; S987-Y990 WeakPolarHBondContact CA-O 3.31Å; Y990-N992 PolarHBondContact O-N 3.04Å |
| 991 | K | 51.7 | Low | 57.8 | Low | 173 Ų | 173 | 76.4 Ų | 76.4 | 75% | 0.752 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -72.8 | 115.6 | 171.7 | -78.4 | -177.6 | 176.8 | 175.8 | 0 | 110.2 | ||
| 992 | N | 52.3 | Low | 56.8 | Low | 157 Ų | 157 | 77.7 Ų | 77.7 | 84% | 0.84 | 40% | 0.396 | S | S | * | . | S | Bend | trans | 53.6 | 63.9 | 175.7 | -63.4 | -20.7 | 0 | 0 | 0 | 115.1 | Y990 K994 | Y990-N992 PolarHBondContact O-N 3.04Å; N992-K994 PolarHBondContact O-N 3.46Å |
| 993 | P | 57.8 | Low | 55.9 | Low | 21 Ų | 21 | 78.7 Ų | 78.7 | 14% | 0.136 | 40% | 0.398 | C | S | . | . | trans | -69.4 | 128 | -175.7 | 28.6 | -33.2 | 0 | 0 | 0 | 111.8 | Y806 L986 V995 | Y806-P993 HydrophobicContact CD2-CB 3.85Å; Y806-P993 HydrophobicContact CG-CB 4.13Å; L986-P993 HydrophobicContact CB-CB 4.21Å; L986-P993 HydrophobicContact CB-CG 3.84Å; P993-V995 HydrophobicContact CB-CG2 4.3Å; P993-V995 HydrophobicContact CG-CG2 4.38Å; P993-V995 PolarHBondContact O-N 2.92Å | ||
| 994 | K | 57.6 | Low | 55.1 | Low | 138 Ų | 138 | 77.1 Ų | 77.1 | 60% | 0.6 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 108.3 | 161.2 | -78.7 | -178 | 177.7 | 173.9 | 0 | 108.3 | I805 Y806 N992 | I805-K994 WeakPolarHBondContact CA-O 3.42Å; I805-K994 VanDerWaalsContact CG2-O 3.3Å; I805-K994 WeakPolarHBondContact CG2-O 3.3Å; Y806-K994 PolarHBondContact N-O 3.01Å; N992-K994 PolarHBondContact O-N 3.46Å |
| 995 | V | 62.1 | Low | 54.5 | Low | 48 Ų | 48 | 73.7 Ų | 73.7 | 29% | 0.291 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 154.3 | -177.3 | -169.8 | 0 | 0 | 0 | 0 | 110.4 | L986 P993 | L986-V995 HydrophobicContact CD1-CG1 4.1Å; L986-V995 HydrophobicContact CD1-CG2 3.85Å; P993-V995 HydrophobicContact CB-CG2 4.3Å; P993-V995 HydrophobicContact CG-CG2 4.38Å; P993-V995 PolarHBondContact O-N 2.92Å |
| 996 | W | 62.2 | Low | 53.7 | Low | 22 Ų | 22 | 76.8 Ų | 76.8 | 8% | 0.083 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 146.6 | 174.1 | -74.6 | 36.8 | 0 | 0 | 0 | 111.2 | I805 I949 F953 S998 L1001 | I805-W996 HydrophobicContact CG2-CG 4.26Å; I949-W996 HydrophobicContact CG2-CH2 3.93Å; I949-W996 HydrophobicContact CG2-CZ2 3.91Å; I949-W996 HydrophobicContact CG2-CZ3 4.27Å; F953-W996 HydrophobicContact CB-CH2 3.89Å; F953-W996 HydrophobicContact CB-CZ3 4.38Å; F953-W996 HydrophobicContact CD2-CH2 4.04Å; F953-W996 AromaticContact CD2-CZ3 3.92Å; F953-W996 HydrophobicContact CD2-CZ3 3.92Å; F953-W996 HydrophobicContact CG-CH2 4.42Å; F953-W996 HydrophobicContact CG-CZ3 4.5Å; W996-S998 PolarHBondContact O-N 2.91Å; W996-L1001 HydrophobicContact CB-CD1 3.76Å; W996-L1001 HydrophobicContact CB-CG 4.25Å; W996-L1001 HydrophobicContact CE3-CG 4.33Å |
| 997 | D | 55.1 | Low | 52.7 | Low | 108 Ų | 108 | 82.1 Ų | 82.1 | 58% | 0.578 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 133.3 | 176 | -161.4 | 1.1 | 0 | 0 | 0 | 109.9 | R999 Q1000 L1001 | D997-R999 PolarHBondContact O-N 3.07Å; D997-Q1000 PolarHBondContact O-N 2.96Å; D997-L1001 PolarHBondContact O-N 2.76Å |
| 998 | S | 48.4 | Very low | 51.7 | Low | 78 Ų | 78 | 79.9 Ų | 79.9 | 55% | 0.545 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -50.9 | -29.3 | -170.4 | 58.1 | 0 | 0 | 0 | 0 | 114.1 | W996 T1002 | W996-S998 PolarHBondContact O-N 2.91Å; S998-T1002 PolarHBondContact O-N 3.13Å; S998-T1002 VanDerWaalsContact O-N 3.16Å; S998-T1002 PolarHBondContact O-OG1 3.39Å |
| 999 | R | 46.3 | Very low | 50.7 | Low | 123 Ų | 123 | 75.8 Ų | 75.8 | 46% | 0.464 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -71.4 | -39.9 | 179.7 | -68.1 | 178.4 | -176.4 | -165.9 | -8.5 | 114.3 | D997 L1001 T1002 Q1003 L1126 | D997-R999 PolarHBondContact O-N 3.07Å; R999-L1001 VanDerWaalsContact C-N 3.32Å; R999-T1002 WeakPolarHBondContact CA-OG1 3.36Å; R999-T1002 PolarHBondContact O-OG1 3.31Å; R999-T1002 VanDerWaalsContact O-OG1 3.1Å; R999-Q1003 WeakPolarHBondContact O-CG 3.39Å; R999-Q1003 PolarHBondContact O-N 3.3Å; R999-L1126 HydrophobicContact CG-CD2 3.8Å |
| 1000 | Q | 50.4 | Low | 49.8 | Very low | 93 Ų | 93 | 74.1 Ų | 74.1 | 44% | 0.435 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -73.4 | -33.9 | -179.8 | -70.8 | -178.5 | -14.5 | 0 | 0 | 110.8 | D997 T1004 | D997-Q1000 PolarHBondContact O-N 2.96Å; Q1000-T1004 WeakPolarHBondContact O-CB 3.28Å; Q1000-T1004 WeakPolarHBondContact O-CG2 3.44Å; Q1000-T1004 PolarHBondContact O-N 3.2Å; Q1000-T1004 PolarHBondContact O-OG1 3.26Å |
| 1001 | L | 49.4 | Very low | 48.9 | Very low | 22 Ų | 22 | 78 Ų | 78 | 12% | 0.115 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -69.5 | -36.9 | 178.2 | -122.6 | 166.7 | 0 | 0 | 0 | 113 | L980 W996 D997 R999 T1004 L1005 | L980-L1001 HydrophobicContact CD1-CD2 3.16Å; L980-L1001 HydrophobicContact CD2-CD1 3.46Å; L980-L1001 VanDerWaalsContact CD2-CD1 3.46Å; L980-L1001 HydrophobicContact CD2-CD2 3.28Å; L980-L1001 HydrophobicContact CD2-CG 3.95Å; L980-L1001 HydrophobicContact CG-CD2 3.73Å; W996-L1001 HydrophobicContact CB-CD1 3.76Å; W996-L1001 HydrophobicContact CB-CG 4.25Å; W996-L1001 HydrophobicContact CE3-CG 4.33Å; D997-L1001 PolarHBondContact O-N 2.76Å; R999-L1001 VanDerWaalsContact C-N 3.32Å; L1001-T1004 VanDerWaalsContact C-OG1 3.3Å; L1001-T1004 VanDerWaalsContact CA-OG1 3.25Å; L1001-T1004 WeakPolarHBondContact CA-OG1 3.36Å; L1001-T1004 PolarHBondContact O-OG1 2.9Å; L1001-L1005 WeakPolarHBondContact O-CB 3.25Å; L1001-L1005 WeakPolarHBondContact O-CG 3.35Å; L1001-L1005 PolarHBondContact O-N 3.31Å |
| 1002 | T | 47 | Very low | 48.2 | Very low | 36 Ų | 36 | 72.1 Ų | 72.1 | 22% | 0.221 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -74.8 | -39.3 | 176.9 | 32.7 | 0 | 0 | 0 | 0 | 113 | S998 R999 T1004 L1005 L1006 P1129 | S998-T1002 PolarHBondContact O-N 3.13Å; S998-T1002 VanDerWaalsContact O-N 3.16Å; S998-T1002 PolarHBondContact O-OG1 3.39Å; R999-T1002 WeakPolarHBondContact CA-OG1 3.36Å; R999-T1002 PolarHBondContact O-OG1 3.31Å; R999-T1002 VanDerWaalsContact O-OG1 3.1Å; T1002-T1004 PolarHBondContact O-N 2.82Å; T1002-L1005 PolarHBondContact O-N 3.32Å; T1002-L1006 PolarHBondContact O-N 3.12Å; T1002-P1129 HydrophobicContact CG2-CB 3.24Å; T1002-P1129 HydrophobicContact CG2-CG 3.55Å |
| 1003 | Q | 45.5 | Very low | 47.4 | Very low | 125 Ų | 125 | 68.9 Ų | 68.9 | 58% | 0.584 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -60.6 | -36.6 | 172.6 | -75.6 | 178.4 | -18.2 | 0 | 0 | 112.3 | R999 F1007 | R999-Q1003 WeakPolarHBondContact O-CG 3.39Å; R999-Q1003 PolarHBondContact O-N 3.3Å; Q1003-F1007 PolarHBondContact O-N 2.9Å |
| 1004 | T | 44.6 | Very low | 46.4 | Very low | 24 Ų | 24 | 73.8 Ų | 73.8 | 15% | 0.147 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -78.6 | -35.9 | -179.7 | 37.2 | 0 | 0 | 0 | 0 | 113.3 | F953 Q1000 L1001 T1002 F1007 L1008 | F953-T1004 HydrophobicContact CD1-CG2 3.7Å; F953-T1004 HydrophobicContact CD2-CG2 3.54Å; F953-T1004 HydrophobicContact CE1-CG2 3.36Å; F953-T1004 HydrophobicContact CE2-CG2 3.22Å; F953-T1004 HydrophobicContact CG-CG2 3.79Å; F953-T1004 HydrophobicContact CZ-CG2 3.13Å; Q1000-T1004 WeakPolarHBondContact O-CB 3.28Å; Q1000-T1004 WeakPolarHBondContact O-CG2 3.44Å; Q1000-T1004 PolarHBondContact O-N 3.2Å; Q1000-T1004 PolarHBondContact O-OG1 3.26Å; L1001-T1004 VanDerWaalsContact C-OG1 3.3Å; L1001-T1004 VanDerWaalsContact CA-OG1 3.25Å; L1001-T1004 WeakPolarHBondContact CA-OG1 3.36Å; L1001-T1004 PolarHBondContact O-OG1 2.9Å; T1002-T1004 PolarHBondContact O-N 2.82Å; T1004-F1007 PolarHBondContact O-N 3.11Å; T1004-L1008 PolarHBondContact O-N 3.47Å |
| 1005 | L | 47.2 | Very low | 45.1 | Very low | 46 Ų | 46 | 71.6 Ų | 71.6 | 24% | 0.241 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.5 | -43.1 | 168 | -84.4 | 168.5 | 0 | 0 | 0 | 112.2 | L980 L1001 T1002 F1007 L1008 V1009 | L980-L1005 HydrophobicContact CD1-CD1 3.63Å; L980-L1005 HydrophobicContact CD1-CD2 3.97Å; L980-L1005 HydrophobicContact CD1-CG 3.91Å; L1001-L1005 WeakPolarHBondContact O-CB 3.25Å; L1001-L1005 WeakPolarHBondContact O-CG 3.35Å; L1001-L1005 PolarHBondContact O-N 3.31Å; T1002-L1005 PolarHBondContact O-N 3.32Å; L1005-F1007 PolarHBondContact O-N 2.94Å; L1005-L1008 PolarHBondContact O-N 2.92Å; L1005-V1009 WeakPolarHBondContact O-CB 3.43Å; L1005-V1009 VanDerWaalsContact O-CG2 3.28Å; L1005-V1009 WeakPolarHBondContact O-CG2 3.38Å; L1005-V1009 PolarHBondContact O-N 2.92Å |
| 1006 | L | 46.2 | Very low | 43.5 | Very low | 109 Ų | 109 | 77.3 Ų | 77.3 | 57% | 0.571 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -58.8 | -39.2 | 176.5 | -122.4 | 92.9 | 0 | 0 | 0 | 111.5 | T1002 A1010 | T1002-L1006 PolarHBondContact O-N 3.12Å; L1006-A1010 WeakPolarHBondContact O-CB 3.4Å; L1006-A1010 PolarHBondContact O-N 3.39Å |
| 1007 | F | 44.7 | Very low | 41.8 | Very low | 112 Ų | 112 | 83.6 Ų | 83.6 | 49% | 0.491 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -69.3 | -40.4 | 178.2 | -168.6 | -96.3 | 0 | 0 | 0 | 112.7 | Q1003 T1004 L1005 Q1011 | Q1003-F1007 PolarHBondContact O-N 2.9Å; T1004-F1007 PolarHBondContact O-N 3.11Å; L1005-F1007 PolarHBondContact O-N 2.94Å; F1007-Q1011 PolarHBondContact O-N 3.36Å |
| 1008 | L | 40.6 | Very low | 40.3 | Very low | 13 Ų | 13 | 85.3 Ų | 85.3 | 7% | 0.068 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -66.2 | -44.1 | 175.2 | -83.7 | 159.2 | 0 | 0 | 0 | 112.1 | F953 H957 T1004 L1005 Q1011 N1012 | F953-L1008 HydrophobicContact CE2-CD1 4.41Å; F953-L1008 HydrophobicContact CZ-CD1 4.24Å; H957-L1008 HydrophobicContact CB-CD2 4.47Å; H957-L1008 WeakPolarHBondContact CD2-CD2 3.16Å; T1004-L1008 PolarHBondContact O-N 3.47Å; L1005-L1008 PolarHBondContact O-N 2.92Å; L1008-Q1011 PolarHBondContact O-N 2.92Å; L1008-N1012 PolarHBondContact O-N 3.22Å; L1008-N1012 VanDerWaalsContact O-N 3.15Å |
| 1009 | V | 41.6 | Very low | 39.1 | Very low | 70 Ų | 70 | 86.5 Ų | 86.5 | 42% | 0.424 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.6 | -40.1 | 177.9 | 173 | 0 | 0 | 0 | 0 | 111.2 | L1005 Q1011 N1012 S1013 | L1005-V1009 WeakPolarHBondContact O-CB 3.43Å; L1005-V1009 VanDerWaalsContact O-CG2 3.28Å; L1005-V1009 WeakPolarHBondContact O-CG2 3.38Å; L1005-V1009 PolarHBondContact O-N 2.92Å; V1009-Q1011 PolarHBondContact O-N 3.28Å; V1009-N1012 PolarHBondContact O-N 3.37Å; V1009-S1013 PolarHBondContact O-N 3.02Å |
| 1010 | A | 37.7 | Very low | 38 | Very low | 36 Ų | 36 | 88 Ų | 88 | 30% | 0.298 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.9 | -23 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1006 S1013 H1014 | L1006-A1010 WeakPolarHBondContact O-CB 3.4Å; L1006-A1010 PolarHBondContact O-N 3.39Å; A1010-S1013 PolarHBondContact O-OG 3.05Å; A1010-S1013 VanDerWaalsContact O-OG 3.08Å; A1010-H1014 PolarHBondContact O-CD2 2.96Å; A1010-H1014 VanDerWaalsContact O-CD2 3.26Å |
| 1011 | Q | 39.1 | Very low | 36.7 | Very low | 84 Ų | 84 | 89.1 Ų | 89.1 | 39% | 0.393 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -89.7 | -32.9 | 175.5 | -73.5 | -167.9 | -15.9 | 0 | 0 | 113.1 | H957 F1007 L1008 V1009 S1013 H1014 | H957-Q1011 PolarHBondContact CE1-OE1 3.12Å; H957-Q1011 VanDerWaalsContact CE1-OE1 3.28Å; H957-Q1011 PolarHBondContact NE2-OE1 2.95Å; F1007-Q1011 PolarHBondContact O-N 3.36Å; L1008-Q1011 PolarHBondContact O-N 2.92Å; V1009-Q1011 PolarHBondContact O-N 3.28Å; Q1011-S1013 VanDerWaalsContact C-N 3.29Å; Q1011-S1013 PolarHBondContact O-N 3.48Å; Q1011-H1014 PolarHBondContact O-N 2.8Å |
| 1012 | N | 36 | Very low | 35.5 | Very low | 50 Ų | 50 | 92.7 Ų | 92.7 | 27% | 0.267 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.9 | -25.6 | 178.1 | -78.9 | -14.4 | 0 | 0 | 0 | 113 | L1008 V1009 H1014 S1015 | L1008-N1012 PolarHBondContact O-N 3.22Å; L1008-N1012 VanDerWaalsContact O-N 3.15Å; V1009-N1012 PolarHBondContact O-N 3.37Å; N1012-H1014 PolarHBondContact O-N 3.42Å; N1012-S1015 WeakPolarHBondContact O-CB 3.39Å; N1012-S1015 PolarHBondContact O-N 2.95Å; N1012-S1015 PolarHBondContact O-OG 3.29Å |
| 1013 | S | 35.7 | Very low | 34.4 | Very low | 89 Ų | 89 | 97.8 Ų | 97.8 | 62% | 0.622 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -14.2 | 173 | 59.2 | 0 | 0 | 0 | 0 | 114.2 | V1009 A1010 Q1011 | V1009-S1013 PolarHBondContact O-N 3.02Å; A1010-S1013 PolarHBondContact O-OG 3.05Å; A1010-S1013 VanDerWaalsContact O-OG 3.08Å; Q1011-S1013 VanDerWaalsContact C-N 3.29Å; Q1011-S1013 PolarHBondContact O-N 3.48Å |
| 1014 | H | 36.5 | Very low | 33.3 | Very low | 124 Ų | 124 | 98.9 Ų | 98.9 | 57% | 0.574 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | 6.5 | 177.1 | -73.4 | -61.9 | 0 | 0 | 0 | 113.8 | A1010 Q1011 N1012 H1016 | A1010-H1014 PolarHBondContact O-CD2 2.96Å; A1010-H1014 VanDerWaalsContact O-CD2 3.26Å; Q1011-H1014 PolarHBondContact O-N 2.8Å; N1012-H1014 PolarHBondContact O-N 3.42Å; H1014-H1016 PolarHBondContact O-N 3.5Å; H1014-H1016 VanDerWaalsContact O-N 3.11Å |
| 1015 | S | 30.6 | Very low | 32.4 | Very low | 91 Ų | 91 | 105 Ų | 105 | 64% | 0.636 | 58% | 0.579 | S | S | * | * | trans | -70.3 | -3.7 | -174.4 | 57.3 | 0 | 0 | 0 | 0 | 115.6 | N1012 | N1012-S1015 WeakPolarHBondContact O-CB 3.39Å; N1012-S1015 PolarHBondContact O-N 2.95Å; N1012-S1015 PolarHBondContact O-OG 3.29Å | ||
| 1016 | H | 29 | Very low | 31.3 | Very low | 168 Ų | 168 | 111.2 Ų | 111.2 | 78% | 0.778 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -101.3 | 73.2 | 162.5 | -72 | -62.8 | 0 | 0 | 0 | 111.2 | H1014 | H1014-H1016 PolarHBondContact O-N 3.5Å; H1014-H1016 VanDerWaalsContact O-N 3.11Å |
| 1017 | R | 26.5 | Very low | 30.2 | Very low | 155 Ų | 155 | 115 Ų | 115 | 59% | 0.585 | 62% | 0.618 | S | S | * | * | trans | -179.5 | 119.1 | 145.9 | -100.6 | 163.2 | -158.7 | -149.4 | 6.1 | 111.5 | S1019 L1206 | R1017-S1019 PolarHBondContact O-N 2.82Å; R1017-S1019 VanDerWaalsContact O-N 3.1Å; R1017-L1206 PolarHBondContact NH2-O 3.46Å | ||
| 1018 | T | 23.5 | Very low | 29.2 | Very low | 144 Ų | 144 | 114.9 Ų | 114.9 | 88% | 0.883 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -65.9 | 96.3 | 159.9 | 46 | 0 | 0 | 0 | 0 | 109.4 | ||
| 1019 | S | 23.8 | Very low | 28.3 | Very low | 102 Ų | 102 | 126.2 Ų | 126.2 | 71% | 0.713 | 67% | 0.67 | S | S | * | * | trans | 156.9 | 93.2 | 147.5 | 61.6 | 0 | 0 | 0 | 0 | 109.8 | R1017 | R1017-S1019 PolarHBondContact O-N 2.82Å; R1017-S1019 VanDerWaalsContact O-N 3.1Å | ||
| 1020 | L | 22.9 | Very low | 27.4 | Very low | 156 Ų | 156 | 129 Ų | 129 | 82% | 0.817 | 69% | 0.688 | S | S | * | * | trans | -163 | 56.9 | 154.9 | -101.8 | 166.5 | 0 | 0 | 0 | 108.4 | S1022 | L1020-S1022 PolarHBondContact O-N 3.17Š| ||
| 1021 | C | 22.6 | Very low | 26.7 | Very low | 116 Ų | 116 | 132.8 Ų | 132.8 | 78% | 0.784 | 71% | 0.711 | S | S | * | * | trans | -84.9 | 82 | 162.7 | -78.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1022 | S | 23.3 | Very low | 26 | Very low | 97 Ų | 97 | 136.5 Ų | 136.5 | 68% | 0.678 | 73% | 0.729 | S | S | * | * | trans | -173.1 | 72.8 | 156.8 | 58.8 | 0 | 0 | 0 | 0 | 110.5 | L1020 | L1020-S1022 PolarHBondContact O-N 3.17Š| ||
| 1023 | I | 24 | Very low | 25.4 | Very low | 142 Ų | 142 | 141.6 Ų | 141.6 | 73% | 0.728 | 76% | 0.756 | S | S | * | * | trans | -126.9 | 92 | 153.9 | -56.3 | -179.8 | 0 | 0 | 0 | 106.6 | L1025 | I1023-L1025 HydrophobicContact CG2-CD1 4.34Å; I1023-L1025 HydrophobicContact CG2-CG 4.03Å; I1023-L1025 PolarHBondContact O-N 3.05Å; I1023-L1025 VanDerWaalsContact O-N 3.14Å | ||
| 1024 | D | 23.8 | Very low | 24.8 | Very low | 149 Ų | 149 | 146.8 Ų | 146.8 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | trans | -74.2 | 94.6 | 175.5 | -149.5 | -0.3 | 0 | 0 | 0 | 108.4 | H1026 | D1024-H1026 PolarHBondContact O-N 2.88Š| ||
| 1025 | L | 24.2 | Very low | 24.1 | Very low | 153 Ų | 153 | 150.7 Ų | 150.7 | 80% | 0.801 | 78% | 0.78 | S | S | * | * | trans | -85.1 | 16 | 178.4 | -86.5 | 163.1 | 0 | 0 | 0 | 113.5 | I1023 | I1023-L1025 HydrophobicContact CG2-CD1 4.34Å; I1023-L1025 HydrophobicContact CG2-CG 4.03Å; I1023-L1025 PolarHBondContact O-N 3.05Å; I1023-L1025 VanDerWaalsContact O-N 3.14Å | ||
| 1026 | H | 24.1 | Very low | 23.8 | Very low | 175 Ų | 175 | 153 Ų | 153 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | trans | -102.6 | 64.7 | 170.4 | -80.3 | -42.7 | 0 | 0 | 0 | 112.8 | D1024 | D1024-H1026 PolarHBondContact O-N 2.88Š| ||
| 1027 | K | 23.8 | Very low | 23.5 | Very low | 189 Ų | 189 | 152.9 Ų | 152.9 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | -126.1 | 119.1 | 150.2 | -81.8 | -176.6 | 178.4 | 177.4 | 0 | 109.6 | R1029 | K1027-R1029 PolarHBondContact O-N 3.3Š| ||
| 1028 | P | 23 | Very low | 23.5 | Very low | 110 Ų | 110 | 155.2 Ų | 155.2 | 71% | 0.714 | 80% | 0.796 | S | S | * | * | trans | -62.8 | 132.3 | 160 | 28.4 | -27.9 | 0 | 0 | 0 | 106.8 | T1030 | P1028-T1030 VanDerWaalsContact C-N 3.33Å; P1028-T1030 PolarHBondContact O-N 2.89Å | ||
| 1029 | R | 22.1 | Very low | 23.5 | Very low | 250 Ų | 250 | 152.9 Ų | 152.9 | 94% | 0.943 | 79% | 0.785 | S | S | * | * | trans | -55.2 | 97.9 | 170.2 | -76.3 | 178.2 | 172.1 | 168.2 | -2.7 | 108.8 | K1027 S1031 | K1027-R1029 PolarHBondContact O-N 3.3Å; R1029-S1031 PolarHBondContact O-N 2.79Å | ||
| 1030 | T | 23.2 | Very low | 23.4 | Very low | 130 Ų | 130 | 153.9 Ų | 153.9 | 80% | 0.798 | 79% | 0.787 | S | S | * | * | trans | -78.1 | 98.5 | 155 | 46.6 | 0 | 0 | 0 | 0 | 106.3 | P1028 E1032 | P1028-T1030 VanDerWaalsContact C-N 3.33Å; P1028-T1030 PolarHBondContact O-N 2.89Å; T1030-E1032 PolarHBondContact O-N 3.47Å | ||
| 1031 | S | 22.9 | Very low | 23.5 | Very low | 114 Ų | 114 | 153.3 Ų | 153.3 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -77.6 | 96.1 | 162.3 | 51.9 | 0 | 0 | 0 | 0 | 108.1 | R1029 | R1029-S1031 PolarHBondContact O-N 2.79Š| ||
| 1032 | E | 23.5 | Very low | 23.6 | Very low | 162 Ų | 162 | 153.1 Ų | 153.1 | 76% | 0.757 | 78% | 0.776 | S | S | * | * | trans | -138.3 | 105.8 | 159.6 | -78.2 | -168.6 | 155.4 | 0 | 0 | 108.1 | T1030 | T1030-E1032 PolarHBondContact O-N 3.47Š| ||
| 1033 | N | 23.9 | Very low | 23.5 | Very low | 157 Ų | 157 | 157.1 Ų | 157.1 | 84% | 0.84 | 78% | 0.776 | S | S | * | * | trans | -173.7 | 78.4 | 134.3 | -89.8 | -9.5 | 0 | 0 | 0 | 109.2 | ||||
| 1034 | Q | 23.1 | Very low | 23.6 | Very low | 199 Ų | 199 | 159.2 Ų | 159.2 | 93% | 0.93 | 78% | 0.776 | S | S | * | * | trans | -134.1 | 84.2 | 144.7 | -81 | -168.4 | -10.1 | 0 | 0 | 107 | ||||
| 1035 | R | 22.9 | Very low | 23.7 | Very low | 205 Ų | 205 | 160.3 Ų | 160.3 | 77% | 0.774 | 78% | 0.781 | S | S | * | * | trans | -155.6 | 126.9 | 166.4 | -87 | -168.6 | -179.9 | 165.5 | 0.2 | 103.4 | ||||
| 1036 | N | 23.1 | Very low | 23.9 | Very low | 141 Ų | 141 | 161 Ų | 161 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | cis | -162 | 157.8 | 20.6 | -77.9 | -39.2 | 0 | 0 | 0 | 109.2 | ||||
| 1037 | Q | 22.8 | Very low | 23.9 | Very low | 165 Ų | 165 | 159.5 Ų | 159.5 | 77% | 0.771 | 78% | 0.778 | S | S | * | * | trans | 161.2 | 109.5 | 146.1 | -92 | 169.6 | 11.4 | 0 | 0 | 105 | ||||
| 1038 | Y | 26.9 | Very low | 24.1 | Very low | 203 Ų | 203 | 158.1 Ų | 158.1 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | -162.3 | 124.1 | 59.9 | -86.6 | -89.2 | 0 | 0 | 0 | 108 | |||||
| 1039 | S | 24.2 | Very low | 24.2 | Very low | 95 Ų | 95 | 159.6 Ų | 159.6 | 66% | 0.664 | 78% | 0.781 | S | S | * | * | 75.9 | 105.3 | 91.6 | 79.2 | 0 | 0 | 0 | 0 | 117 | |||||
| 1040 | T | 21.3 | Very low | 24.5 | Very low | 124 Ų | 124 | 154.4 Ų | 154.4 | 76% | 0.761 | 77% | 0.772 | S | S | * | * | trans | 18.9 | 125 | 135.7 | 51.2 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1041 | D | 25.3 | Very low | 24.8 | Very low | 143 Ų | 143 | 154 Ų | 154 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | 166.7 | 146.9 | 123.3 | -88.2 | -6.9 | 0 | 0 | 0 | 109.3 | |||||
| 1042 | L | 23.7 | Very low | 25.1 | Very low | 112 Ų | 112 | 155 Ų | 155 | 59% | 0.586 | 76% | 0.762 | S | S | * | * | cis | -174.2 | 145 | -9.5 | -108.9 | 167.8 | 0 | 0 | 0 | 107.4 | ||||
| 1043 | R | 21.6 | Very low | 25.5 | Very low | 181 Ų | 181 | 154 Ų | 154 | 68% | 0.683 | 76% | 0.762 | S | S | * | * | trans | 83.7 | 142.9 | 141.3 | -64.3 | 170.5 | -156.9 | -173.5 | 7.6 | 123.9 | ||||
| 1044 | Y | 25.8 | Very low | 25.6 | Very low | 186 Ų | 186 | 153.6 Ų | 153.6 | 73% | 0.729 | 76% | 0.759 | S | S | * | * | trans | 86.6 | 99.4 | 160.2 | -60.9 | -72.4 | 0 | 0 | 0 | 117.4 | ||||
| 1045 | L | 27 | Very low | 25.9 | Very low | 173 Ų | 173 | 150.3 Ų | 150.3 | 91% | 0.906 | 75% | 0.752 | S | S | * | * | -164.8 | 147.6 | 92.9 | -94.3 | 158.5 | 0 | 0 | 0 | 111.4 | |||||
| 1046 | H | 28.3 | Very low | 26 | Very low | 166 Ų | 166 | 147.1 Ų | 147.1 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | trans | -65.9 | 152.6 | -167.3 | -100.8 | -94.1 | 0 | 0 | 0 | 115.9 | ||||
| 1047 | D | 22.9 | Very low | 26.3 | Very low | 144 Ų | 144 | 147.1 Ų | 147.1 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | trans | -57.2 | 141.5 | 151.3 | -62.8 | -48.4 | 0 | 0 | 0 | 111.3 | ||||
| 1048 | N | 28.7 | Very low | 26.4 | Very low | 160 Ų | 160 | 142.2 Ų | 142.2 | 86% | 0.856 | 74% | 0.743 | S | S | * | * | trans | -154.5 | 128.8 | 144.4 | -94.7 | -23 | 0 | 0 | 0 | 108.8 | ||||
| 1049 | D | 24.4 | Very low | 26.6 | Very low | 141 Ų | 141 | 141.2 Ų | 141.2 | 75% | 0.754 | 75% | 0.746 | S | S | * | * | trans | -60.3 | 179.6 | 167.3 | -61.7 | -60.1 | 0 | 0 | 0 | 112.9 | ||||
| 1050 | N | 30 | Very low | 26.7 | Very low | 141 Ų | 141 | 143.8 Ų | 143.8 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | trans | 95.6 | 138.4 | 172.8 | -50.9 | -9 | 0 | 0 | 0 | 113.3 | ||||
| 1051 | D | 28.7 | Very low | 26.9 | Very low | 123 Ų | 123 | 147 Ų | 147 | 66% | 0.658 | 76% | 0.759 | S | S | * | * | cis | -177.5 | 157.9 | -10.3 | -99.4 | -31.6 | 0 | 0 | 0 | 103.1 | ||||
| 1052 | D | 30.1 | Very low | 27.2 | Very low | 134 Ų | 134 | 143.4 Ų | 143.4 | 72% | 0.717 | 76% | 0.755 | S | S | * | * | trans | 82.1 | 129.4 | 144 | -64.7 | -18.8 | 0 | 0 | 0 | 123.2 | ||||
| 1053 | D | 31.3 | Very low | 27.2 | Very low | 142 Ų | 142 | 146.4 Ų | 146.4 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | trans | 98.9 | 82.7 | 142.1 | -58.8 | -21.3 | 0 | 0 | 0 | 120.1 | ||||
| 1054 | D | 24.7 | Very low | 27.6 | Very low | 148 Ų | 148 | 145.7 Ų | 145.7 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | 5 | 143 | 113.4 | -77.5 | -34.8 | 0 | 0 | 0 | 118.3 | |||||
| 1055 | V | 31.1 | Very low | 27.5 | Very low | 129 Ų | 129 | 144.9 Ų | 144.9 | 78% | 0.782 | 77% | 0.771 | S | S | * | * | 160.3 | 97.4 | 119.7 | 167.6 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 1056 | N | 24.8 | Very low | 27.4 | Very low | 139 Ų | 139 | 141.7 Ų | 141.7 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | 45.6 | 142.2 | 109.4 | -120.6 | -4.6 | 0 | 0 | 0 | 122.7 | |||||
| 1057 | I | 29 | Very low | 27.3 | Very low | 140 Ų | 140 | 139.9 Ų | 139.9 | 72% | 0.718 | 76% | 0.755 | S | S | * | * | trans | 79.5 | 120.3 | 149.3 | -54.3 | 152 | 0 | 0 | 0 | 114.5 | ||||
| 1058 | G | 24.9 | Very low | 27.3 | Very low | 63 Ų | 63 | 138.8 Ų | 138.8 | 65% | 0.649 | 75% | 0.749 | S | S | * | * | 110.1 | 119.4 | 55.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | |||||
| 1059 | E | 30.2 | Very low | 27.1 | Very low | 181 Ų | 181 | 139.4 Ų | 139.4 | 85% | 0.846 | 75% | 0.746 | S | S | * | * | 159.8 | 119.7 | 117.6 | -83 | 169.7 | -173.2 | 0 | 0 | 104.5 | |||||
| 1060 | D | 26 | Very low | 27 | Very low | 150 Ų | 150 | 140.7 Ų | 140.7 | 80% | 0.802 | 75% | 0.748 | S | S | * | * | 83 | 133.3 | 74.9 | -90.7 | -18.7 | 0 | 0 | 0 | 115.1 | |||||
| 1061 | E | 27.5 | Very low | 26.6 | Very low | 191 Ų | 191 | 138.4 Ų | 138.4 | 89% | 0.893 | 74% | 0.743 | S | S | * | * | trans | 72 | 139.1 | 162.6 | -35.9 | -164.2 | 158.4 | 0 | 0 | 119 | ||||
| 1062 | G | 29.6 | Very low | 26.5 | Very low | 67 Ų | 67 | 141.9 Ų | 141.9 | 69% | 0.691 | 75% | 0.748 | S | S | * | * | cis | -176 | 154.1 | 6.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1063 | E | 24.6 | Very low | 26.1 | Very low | 176 Ų | 176 | 142.9 Ų | 142.9 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | trans | 42.1 | 148.6 | 141.8 | -50.7 | -168.6 | 149.6 | 0 | 0 | 126.1 | ||||
| 1064 | K | 29.7 | Very low | 25.7 | Very low | 166 Ų | 166 | 143.7 Ų | 143.7 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | trans | 104.3 | 106.5 | 152.6 | -63.4 | -179.8 | -177.3 | 172 | 0 | 116.1 | ||||
| 1065 | E | 25.1 | Very low | 25.6 | Very low | 169 Ų | 169 | 142.1 Ų | 142.1 | 79% | 0.79 | 74% | 0.74 | S | S | * | * | 63.7 | 135.5 | 79 | -72.5 | -171.1 | 165.9 | 0 | 0 | 111.4 | |||||
| 1066 | T | 23.8 | Very low | 25.3 | Very low | 106 Ų | 106 | 142.2 Ų | 142.2 | 65% | 0.65 | 73% | 0.734 | S | S | * | * | cis | -178.3 | 161.2 | -2.6 | 22.8 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 1067 | N | 25.3 | Very low | 25.2 | Very low | 127 Ų | 127 | 144.1 Ų | 144.1 | 68% | 0.679 | 74% | 0.736 | S | S | * | * | trans | 85.6 | 116.1 | 148.3 | -64.2 | -0.8 | 0 | 0 | 0 | 122.9 | ||||
| 1068 | D | 23.8 | Very low | 25 | Very low | 121 Ų | 121 | 144 Ų | 144 | 65% | 0.647 | 74% | 0.737 | S | S | * | * | 75.9 | 128.7 | 118.6 | -54 | -21.4 | 0 | 0 | 0 | 123.5 | |||||
| 1069 | E | 23.7 | Very low | 25.1 | Very low | 173 Ų | 173 | 147.4 Ų | 147.4 | 81% | 0.808 | 75% | 0.745 | S | S | * | * | trans | 63.5 | 150.1 | 141.4 | -69.6 | 175.2 | -169.6 | 0 | 0 | 118.7 | ||||
| 1070 | E | 22.5 | Very low | 24.8 | Very low | 168 Ų | 168 | 145.8 Ų | 145.8 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | cis | -175.5 | 150.2 | -23.2 | -122.6 | -169.9 | -177.3 | 0 | 0 | 104.4 | ||||
| 1071 | S | 22.7 | Very low | 24.9 | Very low | 93 Ų | 93 | 146.1 Ų | 146.1 | 65% | 0.65 | 74% | 0.743 | S | S | * | * | trans | 94.2 | 136.5 | 141.3 | 91.1 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1072 | Y | 25.5 | Very low | 24.7 | Very low | 196 Ų | 196 | 143.7 Ų | 143.7 | 77% | 0.769 | 74% | 0.736 | S | S | * | * | trans | 59.5 | 108.4 | 155.6 | -64.7 | -74.1 | 0 | 0 | 0 | 120.6 | ||||
| 1073 | E | 22.1 | Very low | 24.8 | Very low | 156 Ų | 156 | 148.2 Ų | 148.2 | 73% | 0.729 | 74% | 0.742 | S | S | * | * | 100.7 | 127.8 | 77.3 | -100.9 | -172.1 | -173.8 | 0 | 0 | 112.8 | |||||
| 1074 | E | 22.5 | Very low | 24.9 | Very low | 159 Ų | 159 | 145.7 Ų | 145.7 | 74% | 0.743 | 74% | 0.735 | S | S | * | * | trans | 43.2 | 140.4 | 143.6 | -69.4 | -158.2 | 166.2 | 0 | 0 | 120.5 | ||||
| 1075 | N | 23.9 | Very low | 24.6 | Very low | 115 Ų | 115 | 144.3 Ų | 144.3 | 62% | 0.615 | 74% | 0.735 | S | S | * | * | cis | 179.8 | 156.2 | 7.5 | -121.4 | -32.3 | 0 | 0 | 0 | 106.4 | ||||
| 1076 | I | 23.4 | Very low | 24.6 | Very low | 130 Ų | 130 | 142 Ų | 142 | 67% | 0.667 | 73% | 0.733 | S | S | * | * | trans | 92.1 | 123.7 | 140 | -68.9 | 165.3 | 0 | 0 | 0 | 122.6 | ||||
| 1077 | F | 24.5 | Very low | 24.7 | Very low | 180 Ų | 180 | 143.1 Ų | 143.1 | 79% | 0.789 | 74% | 0.735 | S | S | * | * | trans | 85.9 | 95.4 | 149.1 | -79.6 | -53.4 | 0 | 0 | 0 | 123.8 | ||||
| 1078 | N | 23.1 | Very low | 24.8 | Very low | 138 Ų | 138 | 144.7 Ų | 144.7 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | 24.3 | 134 | 126.7 | -70.9 | -17.6 | 0 | 0 | 0 | 121.6 | |||||
| 1079 | T | 27.5 | Very low | 25.1 | Very low | 133 Ų | 133 | 148.3 Ų | 148.3 | 82% | 0.816 | 75% | 0.751 | S | S | * | * | -164.5 | 120.8 | 116.8 | 21.5 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1080 | N | 24 | Very low | 25.4 | Very low | 148 Ų | 148 | 146.3 Ų | 146.3 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | trans | 20.1 | 143.2 | 144 | -56.6 | -29 | 0 | 0 | 0 | 120.7 | ||||
| 1081 | I | 27.9 | Very low | 25.7 | Very low | 156 Ų | 156 | 148.3 Ų | 148.3 | 80% | 0.8 | 74% | 0.743 | S | S | * | * | -164 | 138.5 | 66.2 | -77.4 | 168.9 | 0 | 0 | 0 | 112.5 | |||||
| 1082 | N | 24 | Very low | 26 | Very low | 140 Ų | 140 | 152.9 Ų | 152.9 | 75% | 0.749 | 75% | 0.751 | S | S | * | * | trans | -7.4 | 139.8 | 157.1 | -72.9 | -34.7 | 0 | 0 | 0 | 122.4 | ||||
| 1083 | I | 30.2 | Very low | 26.2 | Very low | 162 Ų | 162 | 148.9 Ų | 148.9 | 83% | 0.831 | 74% | 0.743 | S | S | * | * | -145.3 | 109.8 | 120 | -61.8 | -169.7 | 0 | 0 | 0 | 111.4 | |||||
| 1084 | N | 27.5 | Very low | 26.6 | Very low | 123 Ų | 123 | 150.1 Ų | 150.1 | 66% | 0.658 | 74% | 0.741 | S | S | * | * | trans | 43.2 | 115.5 | 137.7 | -64.7 | -20.8 | 0 | 0 | 0 | 124.9 | ||||
| 1085 | N | 24.2 | Very low | 26.9 | Very low | 137 Ų | 137 | 146.2 Ų | 146.2 | 73% | 0.733 | 74% | 0.735 | S | S | * | * | 92.7 | 133.6 | 113.5 | -77 | -20.3 | 0 | 0 | 0 | 123 | |||||
| 1086 | T | 24.3 | Very low | 27.3 | Very low | 122 Ų | 122 | 143.2 Ų | 143.2 | 75% | 0.748 | 72% | 0.724 | S | S | * | * | trans | 80 | 88 | 165.6 | 69.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1087 | N | 26.6 | Very low | 27.8 | Very low | 128 Ų | 128 | 142.1 Ų | 142.1 | 68% | 0.684 | 72% | 0.719 | S | S | * | * | trans | -179.4 | 22.1 | 140.3 | -90.5 | -29 | 0 | 0 | 0 | 115.9 | ||||
| 1088 | I | 27.9 | Very low | 28.3 | Very low | 161 Ų | 161 | 139.7 Ų | 139.7 | 83% | 0.826 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -98.1 | 1.2 | -179.4 | -64.6 | 176.6 | 0 | 0 | 0 | 113.9 | ||
| 1089 | K | 29.4 | Very low | 28.7 | Very low | 196 Ų | 196 | 137 Ų | 137 | 85% | 0.852 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -90.2 | -1.9 | 171.2 | -82.7 | -175.6 | 176 | 179.7 | 0 | 115.5 | ||
| 1090 | Q | 30 | Very low | 29.2 | Very low | 131 Ų | 131 | 133.8 Ų | 133.8 | 61% | 0.612 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -101.6 | -1.4 | 176.8 | -77.4 | -172.2 | -1.8 | 0 | 0 | 115.3 | ||
| 1091 | R | 28.7 | Very low | 30 | Very low | 211 Ų | 211 | 131.9 Ų | 131.9 | 80% | 0.796 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -95.2 | -9.5 | 179.7 | -87.7 | -178.3 | 168.8 | 163 | -2.5 | 115.5 | ||
| 1092 | K | 29.5 | Very low | 30.3 | Very low | 188 Ų | 188 | 128 Ų | 128 | 82% | 0.817 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -93.4 | -9.5 | 172.7 | -76.5 | -172.9 | 174.7 | -176.8 | 0 | 114.6 | ||
| 1093 | N | 29 | Very low | 30.8 | Very low | 112 Ų | 112 | 125.5 Ų | 125.5 | 60% | 0.599 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -96.1 | 2.3 | 175.6 | -71.9 | 2.3 | 0 | 0 | 0 | 114.3 | S1096 | N1093-S1096 PolarHBondContact O-OG 2.87Š|
| 1094 | R | 29.8 | Very low | 31.3 | Very low | 182 Ų | 182 | 121.4 Ų | 121.4 | 69% | 0.687 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -95.3 | -9.2 | 175 | -70.8 | -173.7 | -179.4 | 170.3 | 1.9 | 114 | ||
| 1095 | A | 30.3 | Very low | 31.8 | Very low | 77 Ų | 77 | 120 Ų | 120 | 64% | 0.636 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -87.2 | -13.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | T1099 | A1095-T1099 PolarHBondContact O-OG1 3.14Å |
| 1096 | S | 32 | Very low | 32.3 | Very low | 53 Ų | 53 | 115.9 Ų | 115.9 | 37% | 0.371 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -84.1 | -31.7 | 173.9 | 49.5 | 0 | 0 | 0 | 0 | 112.8 | N1093 H1098 T1099 V1100 | N1093-S1096 PolarHBondContact O-OG 2.87Å; S1096-H1098 PolarHBondContact O-N 3.06Å; S1096-T1099 PolarHBondContact O-OG1 2.63Å; S1096-V1100 WeakPolarHBondContact O-CB 3.36Å; S1096-V1100 WeakPolarHBondContact O-CG2 3.42Å; S1096-V1100 PolarHBondContact O-N 3.11Å |
| 1097 | D | 33.2 | Very low | 32.8 | Very low | 106 Ų | 106 | 114.3 Ų | 114.3 | 57% | 0.567 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -75 | -27 | -175.2 | -66 | -15.1 | 0 | 0 | 0 | 112.7 | H1101 | D1097-H1101 VanDerWaalsContact O-CB 3.27Å; D1097-H1101 WeakPolarHBondContact O-CB 3.45Å; D1097-H1101 PolarHBondContact O-N 3.11Å |
| 1098 | H | 34.4 | Very low | 33.3 | Very low | 129 Ų | 129 | 116.6 Ų | 116.6 | 60% | 0.597 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -82.9 | -33 | -178.9 | -144 | -34.7 | 0 | 0 | 0 | 113 | S1096 H1101 L1102 | S1096-H1098 PolarHBondContact O-N 3.06Å; H1098-H1101 PolarHBondContact O-N 3.46Å; H1098-L1102 WeakPolarHBondContact O-CB 3.19Å; H1098-L1102 PolarHBondContact O-N 2.94Å |
| 1099 | T | 32 | Very low | 33.7 | Very low | 81 Ų | 81 | 113.6 Ų | 113.6 | 50% | 0.497 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -71.1 | -37.5 | 168.8 | 18.7 | 0 | 0 | 0 | 0 | 111.3 | A1095 S1096 Q1103 | A1095-T1099 PolarHBondContact O-OG1 3.14Å; S1096-T1099 PolarHBondContact O-OG1 2.63Å; T1099-Q1103 VanDerWaalsContact O-CB 3.25Å; T1099-Q1103 WeakPolarHBondContact O-CB 3.27Å; T1099-Q1103 WeakPolarHBondContact O-CG 3.13Å; T1099-Q1103 PolarHBondContact O-N 3.14Å |
| 1100 | V | 39.2 | Very low | 34 | Very low | 67 Ų | 67 | 107.1 Ų | 107.1 | 41% | 0.406 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.5 | -38 | 171.2 | 170.6 | 0 | 0 | 0 | 0 | 110.8 | S1096 N1104 | S1096-V1100 WeakPolarHBondContact O-CB 3.36Å; S1096-V1100 WeakPolarHBondContact O-CG2 3.42Å; S1096-V1100 PolarHBondContact O-N 3.11Å; V1100-N1104 WeakPolarHBondContact CG1-ND2 3.49Å; V1100-N1104 WeakPolarHBondContact O-CB 3.11Å; V1100-N1104 PolarHBondContact O-N 2.88Å; V1100-N1104 PolarHBondContact O-ND2 2.91Å; V1100-N1104 VanDerWaalsContact O-ND2 3.17Å |
| 1101 | H | 39.1 | Very low | 34.5 | Very low | 107 Ų | 107 | 104.8 Ų | 104.8 | 50% | 0.495 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.9 | -42.4 | 175.8 | -165.6 | 17.9 | 0 | 0 | 0 | 112.4 | D1097 H1098 N1104 Q1105 | D1097-H1101 VanDerWaalsContact O-CB 3.27Å; D1097-H1101 WeakPolarHBondContact O-CB 3.45Å; D1097-H1101 PolarHBondContact O-N 3.11Å; H1098-H1101 PolarHBondContact O-N 3.46Å; H1101-N1104 CarbonylContact O-C 3.57Å; H1101-N1104 PolarHBondContact O-N 2.9Å; H1101-Q1105 PolarHBondContact CE1-OE1 3.02Å; H1101-Q1105 WeakPolarHBondContact O-CB 3.46Å; H1101-Q1105 PolarHBondContact O-N 2.78Å |
| 1102 | L | 34.5 | Very low | 35.1 | Very low | 74 Ų | 74 | 95.7 Ų | 95.7 | 39% | 0.387 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.1 | -39 | 173.6 | -94.5 | 152.4 | 0 | 0 | 0 | 112.8 | H1098 N1104 Q1105 L1106 | H1098-L1102 WeakPolarHBondContact O-CB 3.19Å; H1098-L1102 PolarHBondContact O-N 2.94Å; L1102-N1104 VanDerWaalsContact C-N 3.32Å; L1102-Q1105 PolarHBondContact O-N 2.76Å; L1102-L1106 VanDerWaalsContact O-CB 3.27Å; L1102-L1106 WeakPolarHBondContact O-CB 2.96Å; L1102-L1106 WeakPolarHBondContact O-CG 3.36Å; L1102-L1106 PolarHBondContact O-N 2.97Å |
| 1103 | Q | 34.2 | Very low | 35.8 | Very low | 89 Ų | 89 | 94.9 Ų | 94.9 | 42% | 0.416 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.6 | -36.2 | 171.3 | -82.3 | -177.8 | -21.1 | 0 | 0 | 111.6 | T1099 K1107 | T1099-Q1103 VanDerWaalsContact O-CB 3.25Å; T1099-Q1103 WeakPolarHBondContact O-CB 3.27Å; T1099-Q1103 WeakPolarHBondContact O-CG 3.13Å; T1099-Q1103 PolarHBondContact O-N 3.14Å; Q1103-K1107 WeakPolarHBondContact O-CA 3.33Å; Q1103-K1107 WeakPolarHBondContact O-CB 3.15Å; Q1103-K1107 WeakPolarHBondContact O-CG 3.34Å; Q1103-K1107 PolarHBondContact O-N 2.95Å |
| 1104 | N | 41.3 | Very low | 36.8 | Very low | 75 Ų | 75 | 92.8 Ų | 92.8 | 40% | 0.401 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -74.9 | -27.9 | 176.3 | -74.6 | -22.4 | 0 | 0 | 0 | 112.6 | V1100 H1101 L1102 K1108 | V1100-N1104 WeakPolarHBondContact CG1-ND2 3.49Å; V1100-N1104 WeakPolarHBondContact O-CB 3.11Å; V1100-N1104 PolarHBondContact O-N 2.88Å; V1100-N1104 PolarHBondContact O-ND2 2.91Å; V1100-N1104 VanDerWaalsContact O-ND2 3.17Å; H1101-N1104 CarbonylContact O-C 3.57Å; H1101-N1104 PolarHBondContact O-N 2.9Å; L1102-N1104 VanDerWaalsContact C-N 3.32Å; N1104-K1108 WeakPolarHBondContact O-CB 3.27Å; N1104-K1108 WeakPolarHBondContact O-CG 3.21Å; N1104-K1108 PolarHBondContact O-N 3.45Å |
| 1105 | Q | 39.3 | Very low | 37.7 | Very low | 93 Ų | 93 | 89 Ų | 89 | 44% | 0.435 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -83.4 | -42 | 178.1 | -159.5 | 151.6 | -4.5 | 0 | 0 | 110.8 | H1101 L1102 K1107 K1108 D1109 | H1101-Q1105 PolarHBondContact CE1-OE1 3.02Å; H1101-Q1105 WeakPolarHBondContact O-CB 3.46Å; H1101-Q1105 PolarHBondContact O-N 2.78Å; L1102-Q1105 PolarHBondContact O-N 2.76Å; Q1105-K1107 VanDerWaalsContact C-N 3.31Å; Q1105-K1107 PolarHBondContact O-N 3.08Å; Q1105-K1108 CarbonylContact O-C 3.56Å; Q1105-K1108 WeakPolarHBondContact O-CA 3.5Å; Q1105-K1108 WeakPolarHBondContact O-CB 3.47Å; Q1105-K1108 PolarHBondContact O-N 3.47Å; Q1105-K1108 VanDerWaalsContact O-N 3.07Å; Q1105-D1109 VanDerWaalsContact O-CB 3.29Å; Q1105-D1109 WeakPolarHBondContact O-CB 3.38Å; Q1105-D1109 PolarHBondContact O-N 3.16Å |
| 1106 | L | 33 | Very low | 38.8 | Very low | 52 Ų | 52 | 92.3 Ų | 92.3 | 27% | 0.272 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.4 | -30.1 | 165 | -72.1 | 162.5 | 0 | 0 | 0 | 112 | L1102 K1108 D1109 L1110 | L1102-L1106 VanDerWaalsContact O-CB 3.27Å; L1102-L1106 WeakPolarHBondContact O-CB 2.96Å; L1102-L1106 WeakPolarHBondContact O-CG 3.36Å; L1102-L1106 PolarHBondContact O-N 2.97Å; L1106-K1108 VanDerWaalsContact C-N 3.31Å; L1106-D1109 PolarHBondContact O-N 3.34Å; L1106-L1110 HydrophobicContact CD2-CD1 3.69Å; L1106-L1110 CarbonylContact O-C 3.29Å; L1106-L1110 VanDerWaalsContact O-CA 3.23Å; L1106-L1110 WeakPolarHBondContact O-CA 3.31Å; L1106-L1110 VanDerWaalsContact O-CB 3.27Å; L1106-L1110 WeakPolarHBondContact O-CB 3.46Å; L1106-L1110 PolarHBondContact O-N 3.21Å |
| 1107 | K | 35.1 | Very low | 39.8 | Very low | 89 Ų | 89 | 90.1 Ų | 90.1 | 39% | 0.387 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.7 | -34.8 | 167.8 | -100.5 | -179.1 | 167.7 | 178.1 | 0 | 112.9 | Q1103 Q1105 N1115 | Q1103-K1107 WeakPolarHBondContact O-CA 3.33Å; Q1103-K1107 WeakPolarHBondContact O-CB 3.15Å; Q1103-K1107 WeakPolarHBondContact O-CG 3.34Å; Q1103-K1107 PolarHBondContact O-N 2.95Å; Q1105-K1107 VanDerWaalsContact C-N 3.31Å; Q1105-K1107 PolarHBondContact O-N 3.08Å; K1107-N1115 WeakPolarHBondContact CE-OD1 3.46Å; K1107-N1115 PolarHBondContact NZ-OD1 2.88Å |
| 1108 | K | 38.2 | Very low | 40.6 | Very low | 175 Ų | 175 | 86 Ų | 86 | 76% | 0.761 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -76.8 | -33.2 | 177.3 | -85.2 | -179.2 | 174 | -175.2 | 0 | 111.8 | N1104 Q1105 L1106 | N1104-K1108 WeakPolarHBondContact O-CB 3.27Å; N1104-K1108 WeakPolarHBondContact O-CG 3.21Å; N1104-K1108 PolarHBondContact O-N 3.45Å; Q1105-K1108 CarbonylContact O-C 3.56Å; Q1105-K1108 WeakPolarHBondContact O-CA 3.5Å; Q1105-K1108 WeakPolarHBondContact O-CB 3.47Å; Q1105-K1108 PolarHBondContact O-N 3.47Å; Q1105-K1108 VanDerWaalsContact O-N 3.07Å; L1106-K1108 VanDerWaalsContact C-N 3.31Å |
| 1109 | D | 35.7 | Very low | 41.4 | Very low | 99 Ų | 99 | 84.6 Ų | 84.6 | 53% | 0.529 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -100.8 | -21.6 | -172.5 | -59.8 | -21.3 | 0 | 0 | 0 | 113 | Q1105 L1106 | Q1105-D1109 VanDerWaalsContact O-CB 3.29Å; Q1105-D1109 WeakPolarHBondContact O-CB 3.38Å; Q1105-D1109 PolarHBondContact O-N 3.16Å; L1106-D1109 PolarHBondContact O-N 3.34Å |
| 1110 | L | 34.7 | Very low | 42.6 | Very low | 59 Ų | 59 | 84.5 Ų | 84.5 | 31% | 0.309 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -132.1 | 103.9 | 176.8 | -67.2 | 167.1 | 0 | 0 | 0 | 110.1 | L1106 F1112 L1125 | L1106-L1110 HydrophobicContact CD2-CD1 3.69Å; L1106-L1110 CarbonylContact O-C 3.29Å; L1106-L1110 VanDerWaalsContact O-CA 3.23Å; L1106-L1110 WeakPolarHBondContact O-CA 3.31Å; L1106-L1110 VanDerWaalsContact O-CB 3.27Å; L1106-L1110 WeakPolarHBondContact O-CB 3.46Å; L1106-L1110 PolarHBondContact O-N 3.21Å; L1110-F1112 HydrophobicContact CB-CE2 4.08Å; L1110-F1112 VanDerWaalsContact O-CD2 3.26Å; L1110-F1112 WeakPolarHBondContact O-CD2 3.31Å; L1110-F1112 PolarHBondContact O-N 3.39Å; L1110-L1125 HydrophobicContact CD1-CD1 4.23Å |
| 1111 | F | 41.9 | Very low | 43.1 | Very low | 83 Ų | 83 | 81.5 Ų | 81.5 | 36% | 0.364 | 40% | 0.401 | S | S | . | . | trans | -50.8 | 102 | -173.4 | -54.6 | -78.1 | 0 | 0 | 0 | 116.3 | K1154 I1157 | F1111-K1154 HydrophobicContact CD1-CD 3.62Å; F1111-K1154 HydrophobicContact CD1-CG 4.1Å; F1111-K1154 HydrophobicContact CE1-CB 4.01Å; F1111-K1154 HydrophobicContact CE1-CD 3.26Å; F1111-K1154 VanDerWaalsContact CE1-CE 3.46Å; F1111-K1154 HydrophobicContact CE1-CG 3.28Å; F1111-K1154 HydrophobicContact CE2-CB 4.22Å; F1111-K1154 HydrophobicContact CE2-CG 4.34Å; F1111-K1154 HydrophobicContact CZ-CB 3.75Å; F1111-K1154 HydrophobicContact CZ-CD 3.93Å; F1111-K1154 HydrophobicContact CZ-CG 3.42Å; F1111-K1154 VanDerWaalsContact CZ-CG 3.42Å; F1111-I1157 HydrophobicContact CE2-CD1 4.3Å | ||
| 1112 | F | 41.4 | Very low | 43.6 | Very low | 20 Ų | 20 | 77.6 Ų | 77.6 | 9% | 0.088 | 39% | 0.386 | C | S | . | . | trans | -148.3 | 116 | 165.6 | -55.2 | -70.9 | 0 | 0 | 0 | 113.5 | L1110 N1114 L1117 A1118 V1121 L1141 | L1110-F1112 HydrophobicContact CB-CE2 4.08Å; L1110-F1112 VanDerWaalsContact O-CD2 3.26Å; L1110-F1112 WeakPolarHBondContact O-CD2 3.31Å; L1110-F1112 PolarHBondContact O-N 3.39Å; F1112-N1114 PolarHBondContact O-N 3.14Å; F1112-L1117 HydrophobicContact CD1-CB 4.17Å; F1112-L1117 HydrophobicContact CD1-CD2 3.5Å; F1112-L1117 HydrophobicContact CD1-CG 4.33Å; F1112-L1117 HydrophobicContact CE1-CD2 3.39Å; F1112-L1117 HydrophobicContact CE1-CG 4.4Å; F1112-L1117 HydrophobicContact CZ-CD2 4.35Å; F1112-A1118 HydrophobicContact CB-CB 3.96Å; F1112-A1118 HydrophobicContact CD2-CB 3.74Å; F1112-A1118 HydrophobicContact CG-CB 4.11Å; F1112-V1121 HydrophobicContact CE1-CG2 4.49Å; F1112-V1121 HydrophobicContact CE2-CB 4.26Å; F1112-V1121 HydrophobicContact CE2-CG1 4.33Å; F1112-V1121 HydrophobicContact CE2-CG2 4.21Å; F1112-V1121 HydrophobicContact CZ-CB 4.32Å; F1112-V1121 HydrophobicContact CZ-CG1 4.39Å; F1112-V1121 HydrophobicContact CZ-CG2 3.8Å; F1112-L1141 HydrophobicContact CE1-CD2 3.33Å; F1112-L1141 HydrophobicContact CE1-CG 3.97Å; F1112-L1141 HydrophobicContact CZ-CD2 3.57Å; F1112-L1141 HydrophobicContact CZ-CG 4.28Å | ||
| 1113 | N | 43.5 | Very low | 44.3 | Very low | 170 Ų | 170 | 78.4 Ų | 78.4 | 91% | 0.909 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -72.9 | -2.2 | 162.9 | -80.8 | -19.4 | 0 | 0 | 0 | 112.5 | ||
| 1114 | N | 50.1 | Low | 45.1 | Very low | 69 Ų | 69 | 78.7 Ų | 78.7 | 37% | 0.369 | 39% | 0.391 | S | S | . | . | trans | -117.7 | 108.1 | -177.4 | -162.6 | -3 | 0 | 0 | 0 | 111.1 | F1112 E1116 L1117 A1118 | F1112-N1114 PolarHBondContact O-N 3.14Å; N1114-E1116 VanDerWaalsContact C-N 3.28Å; N1114-E1116 PolarHBondContact O-N 2.83Å; N1114-L1117 HydrophobicContact CB-CB 4.44Å; N1114-L1117 PolarHBondContact O-N 3.3Å; N1114-A1118 PolarHBondContact O-N 2.96Å | ||
| 1115 | N | 48.1 | Very low | 45.2 | Very low | 101 Ų | 101 | 79.2 Ų | 79.2 | 54% | 0.54 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.3 | -32.8 | -171.9 | -74.4 | -26.8 | 0 | 0 | 0 | 113.3 | K1107 Q1119 | K1107-N1115 WeakPolarHBondContact CE-OD1 3.46Å; K1107-N1115 PolarHBondContact NZ-OD1 2.88Å; N1115-Q1119 PolarHBondContact O-N 3.35Å |
| 1116 | E | 54.6 | Low | 45.4 | Very low | 147 Ų | 147 | 77.6 Ų | 77.6 | 69% | 0.687 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -68.9 | -38.9 | 178.3 | -77.6 | -176.4 | 155.9 | 0 | 0 | 112.3 | N1114 Q1119 E1120 | N1114-E1116 VanDerWaalsContact C-N 3.28Å; N1114-E1116 PolarHBondContact O-N 2.83Å; E1116-Q1119 PolarHBondContact O-N 2.81Å; E1116-E1120 PolarHBondContact O-N 3.29Å |
| 1117 | L | 51.8 | Low | 45.8 | Very low | 7 Ų | 7 | 81.4 Ų | 81.4 | 4% | 0.037 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -70.5 | -39.6 | -178.5 | -149.1 | 91.9 | 0 | 0 | 0 | 112 | F1112 N1114 Q1119 E1120 V1121 K1140 L1141 | F1112-L1117 HydrophobicContact CD1-CB 4.17Å; F1112-L1117 HydrophobicContact CD1-CD2 3.5Å; F1112-L1117 HydrophobicContact CD1-CG 4.33Å; F1112-L1117 HydrophobicContact CE1-CD2 3.39Å; F1112-L1117 HydrophobicContact CE1-CG 4.4Å; F1112-L1117 HydrophobicContact CZ-CD2 4.35Å; N1114-L1117 HydrophobicContact CB-CB 4.44Å; N1114-L1117 PolarHBondContact O-N 3.3Å; L1117-Q1119 VanDerWaalsContact C-N 3.26Å; L1117-Q1119 PolarHBondContact O-N 3.4Å; L1117-E1120 PolarHBondContact O-N 3.31Å; L1117-V1121 WeakPolarHBondContact O-CG2 3.43Å; L1117-V1121 PolarHBondContact O-N 3.13Å; L1117-K1140 HydrophobicContact CD1-CB 3.47Å; L1117-K1140 VanDerWaalsContact CD1-CB 3.47Å; L1117-K1140 HydrophobicContact CD1-CD 3.21Å; L1117-K1140 HydrophobicContact CD1-CG 3.94Å; L1117-K1140 HydrophobicContact CD2-CB 4.15Å; L1117-K1140 HydrophobicContact CG-CB 4.45Å; L1117-L1141 HydrophobicContact CD2-CG 4.46Å |
| 1118 | A | 49.8 | Very low | 45.9 | Very low | 21 Ų | 21 | 81.7 Ų | 81.7 | 17% | 0.174 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -60 | -39.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | F1112 N1114 S1122 | F1112-A1118 HydrophobicContact CB-CB 3.96Å; F1112-A1118 HydrophobicContact CD2-CB 3.74Å; F1112-A1118 HydrophobicContact CG-CB 4.11Å; N1114-A1118 PolarHBondContact O-N 2.96Å; A1118-S1122 WeakPolarHBondContact O-CB 3.33Å; A1118-S1122 PolarHBondContact O-N 3.27Å |
| 1119 | Q | 52 | Low | 45.8 | Very low | 98 Ų | 98 | 77.7 Ų | 77.7 | 46% | 0.458 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -68.1 | -42.9 | 174.4 | -110.6 | 176.2 | -17.8 | 0 | 0 | 112.1 | N1115 E1116 L1117 N1123 | N1115-Q1119 PolarHBondContact O-N 3.35Å; E1116-Q1119 PolarHBondContact O-N 2.81Å; L1117-Q1119 VanDerWaalsContact C-N 3.26Å; L1117-Q1119 PolarHBondContact O-N 3.4Å; Q1119-N1123 VanDerWaalsContact O-CB 3.27Å; Q1119-N1123 WeakPolarHBondContact O-CB 3.25Å; Q1119-N1123 PolarHBondContact O-N 3.42Å; Q1119-N1123 PolarHBondContact O-ND2 3.48Å |
| 1120 | E | 56.5 | Low | 45.6 | Very low | 79 Ų | 79 | 77.4 Ų | 77.4 | 37% | 0.369 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.6 | -49.1 | 176 | -106.2 | -177.9 | 163.9 | 0 | 0 | 112 | E1116 L1117 N1123 H1124 K1140 | E1116-E1120 PolarHBondContact O-N 3.29Å; L1117-E1120 PolarHBondContact O-N 3.31Å; E1120-N1123 PolarHBondContact O-N 3.44Å; E1120-H1124 PolarHBondContact O-N 3.35Å; E1120-H1124 VanDerWaalsContact O-N 3.09Å; E1120-K1140 IonicContact OE1-NZ 3.78Å; E1120-K1140 PolarHBondContact OE1-NZ 2.79Å; E1120-K1140 IonicContact OE2-NZ 3.99Å; E1120-K1140 PolarHBondContact OE2-NZ 3.17Å |
| 1121 | V | 51 | Low | 45.7 | Very low | 5 Ų | 5 | 83.7 Ų | 83.7 | 3% | 0.03 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -65.8 | -45 | 179.4 | 173.7 | 0 | 0 | 0 | 0 | 111 | F1112 L1117 N1123 H1124 L1125 L1133 I1137 | F1112-V1121 HydrophobicContact CE1-CG2 4.49Å; F1112-V1121 HydrophobicContact CE2-CB 4.26Å; F1112-V1121 HydrophobicContact CE2-CG1 4.33Å; F1112-V1121 HydrophobicContact CE2-CG2 4.21Å; F1112-V1121 HydrophobicContact CZ-CB 4.32Å; F1112-V1121 HydrophobicContact CZ-CG1 4.39Å; F1112-V1121 HydrophobicContact CZ-CG2 3.8Å; L1117-V1121 WeakPolarHBondContact O-CG2 3.43Å; L1117-V1121 PolarHBondContact O-N 3.13Å; V1121-N1123 VanDerWaalsContact C-N 3.35Å; V1121-N1123 PolarHBondContact O-N 3.43Å; V1121-H1124 PolarHBondContact O-N 3.44Å; V1121-L1125 HydrophobicContact CG1-CD1 3.75Å; V1121-L1125 HydrophobicContact CG1-CG 4.39Å; V1121-L1125 WeakPolarHBondContact O-CG 3.47Å; V1121-L1125 PolarHBondContact O-N 3.42Å; V1121-L1133 HydrophobicContact CG1-CD2 4.38Å; V1121-I1137 HydrophobicContact CG2-CG2 3.5Å; V1121-I1137 VanDerWaalsContact CG2-CG2 3.5Å |
| 1122 | S | 48.8 | Very low | 45.8 | Very low | 25 Ų | 25 | 82.6 Ų | 82.6 | 18% | 0.175 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -61.7 | -42.2 | 177.2 | -177.7 | 0 | 0 | 0 | 0 | 111.6 | A1118 H1124 L1126 | A1118-S1122 WeakPolarHBondContact O-CB 3.33Å; A1118-S1122 PolarHBondContact O-N 3.27Å; S1122-H1124 VanDerWaalsContact C-N 3.32Å; S1122-H1124 PolarHBondContact O-N 3.39Å; S1122-L1126 VanDerWaalsContact O-CB 3.29Å; S1122-L1126 WeakPolarHBondContact O-CB 3.4Å; S1122-L1126 VanDerWaalsContact O-CD1 3.32Å; S1122-L1126 WeakPolarHBondContact O-CD1 3.35Å; S1122-L1126 WeakPolarHBondContact O-CG 3.33Å; S1122-L1126 PolarHBondContact O-N 3.2Å; S1122-L1126 VanDerWaalsContact O-N 3.13Å |
| 1123 | N | 50.3 | Low | 46.2 | Very low | 90 Ų | 90 | 84 Ų | 84 | 48% | 0.481 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -68.3 | -33 | 179.7 | -72.1 | -19.7 | 0 | 0 | 0 | 112.1 | Q1119 E1120 V1121 N1127 | Q1119-N1123 VanDerWaalsContact O-CB 3.27Å; Q1119-N1123 WeakPolarHBondContact O-CB 3.25Å; Q1119-N1123 PolarHBondContact O-N 3.42Å; Q1119-N1123 PolarHBondContact O-ND2 3.48Å; E1120-N1123 PolarHBondContact O-N 3.44Å; V1121-N1123 VanDerWaalsContact C-N 3.35Å; V1121-N1123 PolarHBondContact O-N 3.43Å; N1123-N1127 PolarHBondContact O-ND2 3.22Å |
| 1124 | H | 50.8 | Low | 46.5 | Very low | 95 Ų | 95 | 77.6 Ų | 77.6 | 44% | 0.44 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -71.3 | -46.8 | 176.4 | -112.9 | -60.6 | 0 | 0 | 0 | 112.8 | E1120 V1121 S1122 L1126 N1127 P1134 | E1120-H1124 PolarHBondContact O-N 3.35Å; E1120-H1124 VanDerWaalsContact O-N 3.09Å; V1121-H1124 PolarHBondContact O-N 3.44Å; S1122-H1124 VanDerWaalsContact C-N 3.32Å; S1122-H1124 PolarHBondContact O-N 3.39Å; H1124-L1126 PolarHBondContact O-N 3.33Å; H1124-N1127 PolarHBondContact O-N 3.03Å; H1124-P1134 WeakPolarHBondContact NE2-CG 3.5Å |
| 1125 | L | 43.4 | Very low | 46.4 | Very low | 87 Ų | 87 | 77.6 Ų | 77.6 | 46% | 0.455 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -66.1 | -27 | 179.6 | -70 | 171.8 | 0 | 0 | 0 | 112.8 | L1110 V1121 | L1110-L1125 HydrophobicContact CD1-CD1 4.23Å; V1121-L1125 HydrophobicContact CG1-CD1 3.75Å; V1121-L1125 HydrophobicContact CG1-CG 4.39Å; V1121-L1125 WeakPolarHBondContact O-CG 3.47Å; V1121-L1125 PolarHBondContact O-N 3.42Å |
| 1126 | L | 42.2 | Very low | 46.7 | Very low | 59 Ų | 59 | 76.8 Ų | 76.8 | 31% | 0.309 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -78.2 | -18.4 | 178.5 | -74.8 | 173.6 | 0 | 0 | 0 | 114.1 | R999 S1122 H1124 | R999-L1126 HydrophobicContact CG-CD2 3.8Å; S1122-L1126 VanDerWaalsContact O-CB 3.29Å; S1122-L1126 WeakPolarHBondContact O-CB 3.4Å; S1122-L1126 VanDerWaalsContact O-CD1 3.32Å; S1122-L1126 WeakPolarHBondContact O-CD1 3.35Å; S1122-L1126 WeakPolarHBondContact O-CG 3.33Å; S1122-L1126 PolarHBondContact O-N 3.2Å; S1122-L1126 VanDerWaalsContact O-N 3.13Å; H1124-L1126 PolarHBondContact O-N 3.33Å |
| 1127 | N | 42 | Very low | 46.9 | Very low | 131 Ų | 131 | 70 Ų | 70 | 70% | 0.701 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -102.1 | -28 | -172.7 | -75.6 | -22.2 | 0 | 0 | 0 | 114 | N1123 H1124 | N1123-N1127 PolarHBondContact O-ND2 3.22Å; H1124-N1127 PolarHBondContact O-N 3.03Å |
| 1128 | I | 36.7 | Very low | 46.7 | Very low | 96 Ų | 96 | 72.1 Ų | 72.1 | 49% | 0.492 | 39% | 0.391 | S | S | . | . | trans | -152.9 | 111.6 | 178.7 | -52.2 | 176.2 | 0 | 0 | 0 | 109.7 | S1130 Y1131 | I1128-S1130 VanDerWaalsContact C-N 3.33Å; I1128-S1130 PolarHBondContact O-N 3.09Å; I1128-Y1131 HydrophobicContact CG2-CD2 4.5Å | ||
| 1129 | P | 37.5 | Very low | 46.8 | Very low | 90 Ų | 90 | 75.9 Ų | 75.9 | 58% | 0.584 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | 1.2 | -175.5 | 32.8 | -34.5 | 0 | 0 | 0 | 115 | T1002 | T1002-P1129 HydrophobicContact CG2-CB 3.24Å; T1002-P1129 HydrophobicContact CG2-CG 3.55Å |
| 1130 | S | 30.7 | Very low | 46.9 | Very low | 94 Ų | 94 | 75.4 Ų | 75.4 | 66% | 0.657 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.4 | 24 | -171 | 64.7 | 0 | 0 | 0 | 0 | 114.1 | I1128 | I1128-S1130 VanDerWaalsContact C-N 3.33Å; I1128-S1130 PolarHBondContact O-N 3.09Å |
| 1131 | Y | 36.5 | Very low | 46.5 | Very low | 190 Ų | 190 | 73.7 Ų | 73.7 | 75% | 0.745 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -134.5 | 141.8 | 177.2 | -106.7 | -95.8 | 0 | 0 | 0 | 111.8 | I1128 | I1128-Y1131 HydrophobicContact CG2-CD2 4.5Š|
| 1132 | P | 44.5 | Very low | 46.2 | Very low | 60 Ų | 60 | 75.3 Ų | 75.3 | 39% | 0.39 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 147 | 176.4 | 24.4 | -32 | 0 | 0 | 0 | 111.6 | E1166 | P1132-E1166 WeakPolarHBondContact CD-OE2 3.29Š|
| 1133 | L | 49 | Very low | 46.3 | Very low | 51 Ų | 51 | 82.4 Ų | 82.4 | 27% | 0.267 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 137.9 | 176.6 | -77.2 | 151.2 | 0 | 0 | 0 | 110.4 | V1121 I1137 I1138 L1141 | V1121-L1133 HydrophobicContact CG1-CD2 4.38Å; L1133-I1137 HydrophobicContact CD2-CG2 4.05Å; L1133-I1138 HydrophobicContact CB-CD1 4.16Å; L1133-I1138 HydrophobicContact CB-CG1 3.91Å; L1133-I1138 WeakPolarHBondContact O-CD1 3.39Å; L1133-L1141 HydrophobicContact CD1-CD1 4.49Å |
| 1134 | P | 50.6 | Low | 46.2 | Very low | 34 Ų | 34 | 81.8 Ų | 81.8 | 22% | 0.221 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -52.5 | 141 | 176.6 | -23.6 | 28.7 | 0 | 0 | 0 | 111.9 | H1124 T1136 I1137 I1138 | H1124-P1134 WeakPolarHBondContact NE2-CG 3.5Å; P1134-T1136 PolarHBondContact O-N 2.88Å; P1134-I1137 HydrophobicContact CB-CG1 4.39Å; P1134-I1137 HydrophobicContact CG-CD1 4.12Å; P1134-I1137 HydrophobicContact CG-CG1 4.44Å; P1134-I1137 PolarHBondContact O-N 3.22Å; P1134-I1138 PolarHBondContact O-N 3.12Å |
| 1135 | P | 47.1 | Very low | 46 | Very low | 69 Ų | 69 | 81.4 Ų | 81.4 | 45% | 0.448 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -58.1 | -25.3 | -176.9 | 18.8 | -30 | 0 | 0 | 0 | 113.3 | Q1139 | P1135-Q1139 WeakPolarHBondContact O-CB 3.25Å; P1135-Q1139 WeakPolarHBondContact O-CG 3.35Å; P1135-Q1139 PolarHBondContact O-N 3.17Å |
| 1136 | T | 56.1 | Low | 45.8 | Very low | 84 Ų | 84 | 83.1 Ų | 83.1 | 52% | 0.515 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -66.2 | -37.7 | 173.2 | 50.6 | 0 | 0 | 0 | 0 | 112.8 | P1134 K1140 | P1134-T1136 PolarHBondContact O-N 2.88Å; T1136-K1140 WeakPolarHBondContact O-CG 3.31Å; T1136-K1140 PolarHBondContact O-N 3.26Å; T1136-K1140 VanDerWaalsContact O-N 3.12Å |
| 1137 | I | 56.9 | Low | 45.7 | Very low | 5 Ų | 5 | 85.1 Ų | 85.1 | 3% | 0.026 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -74.3 | -39.7 | 177.4 | -61.1 | -173.3 | 0 | 0 | 0 | 110.1 | V1121 L1133 P1134 Q1139 K1140 L1141 | V1121-I1137 HydrophobicContact CG2-CG2 3.5Å; V1121-I1137 VanDerWaalsContact CG2-CG2 3.5Å; L1133-I1137 HydrophobicContact CD2-CG2 4.05Å; P1134-I1137 HydrophobicContact CB-CG1 4.39Å; P1134-I1137 HydrophobicContact CG-CD1 4.12Å; P1134-I1137 HydrophobicContact CG-CG1 4.44Å; P1134-I1137 PolarHBondContact O-N 3.22Å; I1137-Q1139 PolarHBondContact O-N 3.35Å; I1137-K1140 PolarHBondContact O-N 3.08Å; I1137-L1141 HydrophobicContact CG2-CD1 4.08Å; I1137-L1141 WeakPolarHBondContact O-CB 2.97Å; I1137-L1141 PolarHBondContact O-N 3.44Å |
| 1138 | I | 48.7 | Very low | 45.4 | Very low | 52 Ų | 52 | 85 Ų | 85 | 27% | 0.267 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.8 | -39.6 | 174.6 | -61.5 | 177.6 | 0 | 0 | 0 | 111.1 | L1133 P1134 L1141 A1142 M1167 | L1133-I1138 HydrophobicContact CB-CD1 4.16Å; L1133-I1138 HydrophobicContact CB-CG1 3.91Å; L1133-I1138 WeakPolarHBondContact O-CD1 3.39Å; P1134-I1138 PolarHBondContact O-N 3.12Å; I1138-L1141 WeakPolarHBondContact O-CB 3.47Å; I1138-L1141 PolarHBondContact O-N 3.19Å; I1138-A1142 WeakPolarHBondContact O-CB 3.28Å; I1138-A1142 PolarHBondContact O-N 3.42Å; I1138-M1167 HydrophobicContact CD1-CE 4.38Å |
| 1139 | Q | 50.8 | Low | 45.7 | Very low | 100 Ų | 100 | 86.5 Ų | 86.5 | 47% | 0.467 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65 | -39.2 | 173.8 | -81.5 | -179.3 | -1.8 | 0 | 0 | 113 | P1135 I1137 K1143 | P1135-Q1139 WeakPolarHBondContact O-CB 3.25Å; P1135-Q1139 WeakPolarHBondContact O-CG 3.35Å; P1135-Q1139 PolarHBondContact O-N 3.17Å; I1137-Q1139 PolarHBondContact O-N 3.35Å; Q1139-K1143 WeakPolarHBondContact O-CB 3.44Å; Q1139-K1143 PolarHBondContact O-N 3.18Å; Q1139-K1143 VanDerWaalsContact O-N 3.09Å |
| 1140 | K | 54.6 | Low | 45.9 | Very low | 88 Ų | 88 | 93.1 Ų | 93.1 | 38% | 0.383 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68.9 | -38.2 | 175.3 | -69.8 | 179.5 | -169.8 | 179.2 | 0 | 111.6 | L1117 E1120 T1136 I1137 K1143 Q1144 | L1117-K1140 HydrophobicContact CD1-CB 3.47Å; L1117-K1140 VanDerWaalsContact CD1-CB 3.47Å; L1117-K1140 HydrophobicContact CD1-CD 3.21Å; L1117-K1140 HydrophobicContact CD1-CG 3.94Å; L1117-K1140 HydrophobicContact CD2-CB 4.15Å; L1117-K1140 HydrophobicContact CG-CB 4.45Å; E1120-K1140 IonicContact OE1-NZ 3.78Å; E1120-K1140 PolarHBondContact OE1-NZ 2.79Å; E1120-K1140 IonicContact OE2-NZ 3.99Å; E1120-K1140 PolarHBondContact OE2-NZ 3.17Å; T1136-K1140 WeakPolarHBondContact O-CG 3.31Å; T1136-K1140 PolarHBondContact O-N 3.26Å; T1136-K1140 VanDerWaalsContact O-N 3.12Å; I1137-K1140 PolarHBondContact O-N 3.08Å; K1140-K1143 PolarHBondContact O-N 2.92Å; K1140-Q1144 PolarHBondContact O-N 3.29Å |
| 1141 | L | 47.6 | Very low | 46.6 | Very low | 43 Ų | 43 | 92.4 Ų | 92.4 | 23% | 0.225 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -59.5 | -50.7 | 171.4 | -91.1 | 159.2 | 0 | 0 | 0 | 111.8 | F1112 L1117 L1133 I1137 I1138 K1143 Q1144 I1145 | F1112-L1141 HydrophobicContact CE1-CD2 3.33Å; F1112-L1141 HydrophobicContact CE1-CG 3.97Å; F1112-L1141 HydrophobicContact CZ-CD2 3.57Å; F1112-L1141 HydrophobicContact CZ-CG 4.28Å; L1117-L1141 HydrophobicContact CD2-CG 4.46Å; L1133-L1141 HydrophobicContact CD1-CD1 4.49Å; I1137-L1141 HydrophobicContact CG2-CD1 4.08Å; I1137-L1141 WeakPolarHBondContact O-CB 2.97Å; I1137-L1141 PolarHBondContact O-N 3.44Å; I1138-L1141 WeakPolarHBondContact O-CB 3.47Å; I1138-L1141 PolarHBondContact O-N 3.19Å; L1141-K1143 VanDerWaalsContact C-N 3.28Å; L1141-K1143 PolarHBondContact O-N 2.93Å; L1141-Q1144 PolarHBondContact O-N 2.98Å; L1141-Q1144 VanDerWaalsContact O-N 3.09Å; L1141-I1145 PolarHBondContact O-N 2.81Å |
| 1142 | A | 46.3 | Very low | 46.9 | Very low | 38 Ų | 38 | 86.1 Ų | 86.1 | 31% | 0.314 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.1 | -30.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | I1138 | I1138-A1142 WeakPolarHBondContact O-CB 3.28Å; I1138-A1142 PolarHBondContact O-N 3.42Å |
| 1143 | K | 49.7 | Very low | 46.7 | Very low | 175 Ų | 175 | 91.8 Ų | 91.8 | 76% | 0.761 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -73.2 | -21.8 | 173.8 | -84.9 | -177.9 | 175.6 | 179.1 | 0 | 114.2 | Q1139 K1140 L1141 | Q1139-K1143 WeakPolarHBondContact O-CB 3.44Å; Q1139-K1143 PolarHBondContact O-N 3.18Å; Q1139-K1143 VanDerWaalsContact O-N 3.09Å; K1140-K1143 PolarHBondContact O-N 2.92Å; L1141-K1143 VanDerWaalsContact C-N 3.28Å; L1141-K1143 PolarHBondContact O-N 2.93Å |
| 1144 | Q | 49.5 | Very low | 46.5 | Very low | 76 Ų | 76 | 91.8 Ų | 91.8 | 36% | 0.355 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -91.2 | -14.1 | -179.5 | -77.3 | -159.5 | -21 | 0 | 0 | 114.3 | K1140 L1141 D1146 | K1140-Q1144 PolarHBondContact O-N 3.29Å; L1141-Q1144 PolarHBondContact O-N 2.98Å; L1141-Q1144 VanDerWaalsContact O-N 3.09Å; Q1144-D1146 PolarHBondContact O-N 3.25Å |
| 1145 | I | 45.1 | Very low | 46.2 | Very low | 88 Ų | 88 | 92.2 Ų | 92.2 | 45% | 0.451 | 45% | 0.45 | S | S | . | . | trans | -76.4 | 74.3 | 169.4 | -57 | 170.8 | 0 | 0 | 0 | 106.8 | L1141 F1158 | L1141-I1145 PolarHBondContact O-N 2.81Å; I1145-F1158 HydrophobicContact CD1-CD1 4.37Å; I1145-F1158 HydrophobicContact CD1-CD2 3.48Å; I1145-F1158 VanDerWaalsContact CD1-CD2 3.48Å; I1145-F1158 HydrophobicContact CD1-CE1 4.37Å; I1145-F1158 HydrophobicContact CD1-CE2 3.49Å; I1145-F1158 VanDerWaalsContact CD1-CE2 3.49Å; I1145-F1158 HydrophobicContact CD1-CG 3.94Å; I1145-F1158 HydrophobicContact CD1-CZ 3.96Å | ||
| 1146 | D | 40.9 | Very low | 46.1 | Very low | 123 Ų | 123 | 93.4 Ų | 93.4 | 66% | 0.658 | 45% | 0.452 | S | S | * | . | trans | -68.3 | 138.7 | 170.6 | -153.4 | -6.8 | 0 | 0 | 0 | 108.6 | Q1144 N1148 | Q1144-D1146 PolarHBondContact O-N 3.25Å; D1146-N1148 PolarHBondContact O-N 3.1Å | ||
| 1147 | I | 39 | Very low | 45.5 | Very low | 100 Ų | 100 | 92.1 Ų | 92.1 | 51% | 0.513 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 23.7 | -152.4 | -70.8 | 161 | 0 | 0 | 0 | 113.1 | K1196 | I1147-K1196 HydrophobicContact CG2-CD 4.21Š|
| 1148 | N | 36.7 | Very low | 45 | Very low | 129 Ų | 129 | 95.1 Ų | 95.1 | 69% | 0.69 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.5 | 2.7 | -168.6 | -67.6 | -25.2 | 0 | 0 | 0 | 116 | D1146 | D1146-N1148 PolarHBondContact O-N 3.1Š|
| 1149 | E | 41.2 | Very low | 44.9 | Very low | 128 Ų | 128 | 93.5 Ų | 93.5 | 60% | 0.598 | 45% | 0.446 | S | S | * | . | trans | -90.3 | 118.6 | 178.2 | -74.9 | -165.9 | 145.7 | 0 | 0 | 113.3 | D1151 K1154 | E1149-D1151 VanDerWaalsContact C-N 3.27Å; E1149-D1151 PolarHBondContact O-N 3.24Å; E1149-K1154 IonicContact OE1-NZ 3.2Å; E1149-K1154 PolarHBondContact OE1-NZ 3.39Å; E1149-K1154 VanDerWaalsContact OE1-NZ 3.09Å; E1149-K1154 WeakPolarHBondContact OE2-CD 3.23Å; E1149-K1154 IonicContact OE2-NZ 2.77Å; E1149-K1154 PolarHBondContact OE2-NZ 3.22Å | ||
| 1150 | R | 42.6 | Very low | 44.7 | Very low | 229 Ų | 229 | 93 Ų | 93 | 86% | 0.864 | 44% | 0.444 | S | S | * | . | trans | -77.6 | 14.4 | -176.8 | -74.1 | -178.3 | 172.5 | 178.8 | -3.7 | 115.6 | P1152 | R1150-P1152 VanDerWaalsContact O-CD 3.28Å; R1150-P1152 WeakPolarHBondContact O-CD 2.95Å | ||
| 1151 | D | 45.7 | Very low | 44.1 | Very low | 78 Ų | 78 | 91.6 Ų | 91.6 | 42% | 0.417 | 44% | 0.444 | S | S | . | . | trans | -95.2 | 107.8 | -165.2 | -165 | -6.8 | 0 | 0 | 0 | 113.3 | E1149 Y1153 K1154 | E1149-D1151 VanDerWaalsContact C-N 3.27Å; E1149-D1151 PolarHBondContact O-N 3.24Å; D1151-Y1153 VanDerWaalsContact C-N 3.25Å; D1151-Y1153 PolarHBondContact O-N 3.37Å; D1151-K1154 HydrophobicContact CB-CD 4.02Å; D1151-K1154 HydrophobicContact CB-CG 3.84Å; D1151-K1154 PolarHBondContact O-N 3.23Å; D1151-K1154 WeakPolarHBondContact OD2-CE 3.44Å | ||
| 1152 | P | 42 | Very low | 43.9 | Very low | 58 Ų | 58 | 91.8 Ų | 91.8 | 38% | 0.377 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.3 | -26.8 | -173.7 | 22.6 | -33.2 | 0 | 0 | 0 | 114.5 | R1150 | R1150-P1152 VanDerWaalsContact O-CD 3.28Å; R1150-P1152 WeakPolarHBondContact O-CD 2.95Å |
| 1153 | Y | 41.4 | Very low | 43.7 | Very low | 180 Ų | 180 | 93.1 Ų | 93.1 | 71% | 0.706 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -73.5 | -34.2 | -177.6 | -124 | -89.4 | 0 | 0 | 0 | 112 | D1151 | D1151-Y1153 VanDerWaalsContact C-N 3.25Å; D1151-Y1153 PolarHBondContact O-N 3.37Å |
| 1154 | K | 43.2 | Very low | 43.4 | Very low | 51 Ų | 51 | 90 Ų | 90 | 22% | 0.222 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -67.8 | -37.1 | 179.3 | -49.2 | -165.3 | -179.1 | -178.3 | 0 | 111.9 | F1111 E1149 D1151 F1158 | F1111-K1154 HydrophobicContact CD1-CD 3.62Å; F1111-K1154 HydrophobicContact CD1-CG 4.1Å; F1111-K1154 HydrophobicContact CE1-CB 4.01Å; F1111-K1154 HydrophobicContact CE1-CD 3.26Å; F1111-K1154 VanDerWaalsContact CE1-CE 3.46Å; F1111-K1154 HydrophobicContact CE1-CG 3.28Å; F1111-K1154 HydrophobicContact CE2-CB 4.22Å; F1111-K1154 HydrophobicContact CE2-CG 4.34Å; F1111-K1154 HydrophobicContact CZ-CB 3.75Å; F1111-K1154 HydrophobicContact CZ-CD 3.93Å; F1111-K1154 HydrophobicContact CZ-CG 3.42Å; F1111-K1154 VanDerWaalsContact CZ-CG 3.42Å; E1149-K1154 IonicContact OE1-NZ 3.2Å; E1149-K1154 PolarHBondContact OE1-NZ 3.39Å; E1149-K1154 VanDerWaalsContact OE1-NZ 3.09Å; E1149-K1154 WeakPolarHBondContact OE2-CD 3.23Å; E1149-K1154 IonicContact OE2-NZ 2.77Å; E1149-K1154 PolarHBondContact OE2-NZ 3.22Å; D1151-K1154 HydrophobicContact CB-CD 4.02Å; D1151-K1154 HydrophobicContact CB-CG 3.84Å; D1151-K1154 PolarHBondContact O-N 3.23Å; D1151-K1154 WeakPolarHBondContact OD2-CE 3.44Å; K1154-F1158 PolarHBondContact O-N 3.45Å |
| 1155 | F | 45.6 | Very low | 42.9 | Very low | 43 Ų | 43 | 90.9 Ų | 90.9 | 19% | 0.189 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -65.8 | -43.1 | 178.9 | -179.7 | -106.7 | 0 | 0 | 0 | 112.6 | I1157 F1158 I1159 F1193 | F1155-I1157 VanDerWaalsContact C-N 3.32Å; F1155-I1157 PolarHBondContact O-N 2.92Å; F1155-F1158 PolarHBondContact O-N 2.89Å; F1155-I1159 HydrophobicContact CD1-CG1 4.17Å; F1155-I1159 HydrophobicContact CD2-CG1 4.29Å; F1155-I1159 HydrophobicContact CE1-CD1 4.21Å; F1155-I1159 HydrophobicContact CE1-CG1 3.81Å; F1155-I1159 HydrophobicContact CE2-CD1 4Å; F1155-I1159 HydrophobicContact CE2-CG1 3.92Å; F1155-I1159 HydrophobicContact CG-CG1 4.41Å; F1155-I1159 HydrophobicContact CZ-CD1 3.67Å; F1155-I1159 HydrophobicContact CZ-CG1 3.68Å; F1155-I1159 WeakPolarHBondContact O-CB 3.46Å; F1155-I1159 VanDerWaalsContact O-CG1 3.25Å; F1155-I1159 WeakPolarHBondContact O-CG1 3.5Å; F1155-I1159 PolarHBondContact O-N 3.16Å; F1155-F1193 AromaticContact CD2-CE1 3.98Å; F1155-F1193 HydrophobicContact CD2-CE1 3.98Å; F1155-F1193 HydrophobicContact CD2-CE2 4.12Å; F1155-F1193 AromaticContact CD2-CZ 3.44Å; F1155-F1193 HydrophobicContact CD2-CZ 3.44Å; F1155-F1193 VanDerWaalsContact CD2-CZ 3.44Å; F1155-F1193 HydrophobicContact CE1-CE1 4.37Å; F1155-F1193 AromaticContact CE2-CD1 4Å; F1155-F1193 HydrophobicContact CE2-CD1 4Å; F1155-F1193 AromaticContact CE2-CE1 3.18Å; F1155-F1193 HydrophobicContact CE2-CE1 3.18Å; F1155-F1193 AromaticContact CE2-CE2 3.86Å; F1155-F1193 HydrophobicContact CE2-CE2 3.86Å; F1155-F1193 AromaticContact CE2-CZ 3.1Å; F1155-F1193 HydrophobicContact CE2-CZ 3.1Å; F1155-F1193 HydrophobicContact CG-CZ 4.37Å; F1155-F1193 HydrophobicContact CZ-CD1 4.2Å; F1155-F1193 AromaticContact CZ-CE1 3.41Å; F1155-F1193 HydrophobicContact CZ-CE1 3.41Å; F1155-F1193 VanDerWaalsContact CZ-CE1 3.41Å; F1155-F1193 AromaticContact CZ-CZ 3.81Å; F1155-F1193 HydrophobicContact CZ-CZ 3.81Å |
| 1156 | N | 44 | Very low | 42.6 | Very low | 93 Ų | 93 | 92.2 Ų | 92.2 | 50% | 0.497 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.7 | -36.2 | -179.9 | -78.2 | -17.3 | 0 | 0 | 0 | 112.9 | Q1160 | N1156-Q1160 WeakPolarHBondContact O-CB 3.46Å; N1156-Q1160 WeakPolarHBondContact O-CG 3.47Å; N1156-Q1160 PolarHBondContact O-N 3.37Å |
| 1157 | I | 44 | Very low | 42.5 | Very low | 57 Ų | 57 | 88 Ų | 88 | 29% | 0.292 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -70.3 | -42.5 | 178 | -64.1 | 171.8 | 0 | 0 | 0 | 110.8 | F1111 F1155 I1159 Q1160 C1161 | F1111-I1157 HydrophobicContact CE2-CD1 4.3Å; F1155-I1157 VanDerWaalsContact C-N 3.32Å; F1155-I1157 PolarHBondContact O-N 2.92Å; I1157-I1159 PolarHBondContact O-N 3.11Å; I1157-Q1160 PolarHBondContact O-N 2.91Å; I1157-C1161 PolarHBondContact O-N 2.81Å; I1157-C1161 VanDerWaalsContact O-N 3.07Å; I1157-C1161 PolarHBondContact O-SG 3.11Å |
| 1158 | F | 46 | Very low | 42.7 | Very low | 69 Ų | 69 | 86.6 Ų | 86.6 | 30% | 0.303 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 175.8 | 179.5 | -106.5 | 0 | 0 | 0 | 112.1 | I1145 K1154 F1155 C1161 L1162 | I1145-F1158 HydrophobicContact CD1-CD1 4.37Å; I1145-F1158 HydrophobicContact CD1-CD2 3.48Å; I1145-F1158 VanDerWaalsContact CD1-CD2 3.48Å; I1145-F1158 HydrophobicContact CD1-CE1 4.37Å; I1145-F1158 HydrophobicContact CD1-CE2 3.49Å; I1145-F1158 VanDerWaalsContact CD1-CE2 3.49Å; I1145-F1158 HydrophobicContact CD1-CG 3.94Å; I1145-F1158 HydrophobicContact CD1-CZ 3.96Å; K1154-F1158 PolarHBondContact O-N 3.45Å; F1155-F1158 PolarHBondContact O-N 2.89Å; F1158-C1161 WeakPolarHBondContact O-CB 3.28Å; F1158-C1161 PolarHBondContact O-N 3.38Å; F1158-L1162 HydrophobicContact CD1-CD1 3.97Å; F1158-L1162 HydrophobicContact CE1-CD1 3.54Å; F1158-L1162 HydrophobicContact CE1-CG 4.33Å; F1158-L1162 HydrophobicContact CZ-CD1 4.03Å; F1158-L1162 HydrophobicContact CZ-CG 4.44Å; F1158-L1162 PolarHBondContact O-N 3.08Å; F1158-L1162 VanDerWaalsContact O-N 3.15Å |
| 1159 | I | 47.7 | Very low | 42.9 | Very low | 18 Ų | 18 | 85.3 Ų | 85.3 | 9% | 0.092 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 174.6 | -69.9 | -78.8 | 0 | 0 | 0 | 111.3 | F1155 I1157 C1161 L1162 C1163 | F1155-I1159 HydrophobicContact CD1-CG1 4.17Å; F1155-I1159 HydrophobicContact CD2-CG1 4.29Å; F1155-I1159 HydrophobicContact CE1-CD1 4.21Å; F1155-I1159 HydrophobicContact CE1-CG1 3.81Å; F1155-I1159 HydrophobicContact CE2-CD1 4Å; F1155-I1159 HydrophobicContact CE2-CG1 3.92Å; F1155-I1159 HydrophobicContact CG-CG1 4.41Å; F1155-I1159 HydrophobicContact CZ-CD1 3.67Å; F1155-I1159 HydrophobicContact CZ-CG1 3.68Å; F1155-I1159 WeakPolarHBondContact O-CB 3.46Å; F1155-I1159 VanDerWaalsContact O-CG1 3.25Å; F1155-I1159 WeakPolarHBondContact O-CG1 3.5Å; F1155-I1159 PolarHBondContact O-N 3.16Å; I1157-I1159 PolarHBondContact O-N 3.11Å; I1159-C1161 VanDerWaalsContact C-N 3.27Å; I1159-C1161 PolarHBondContact O-N 2.9Å; I1159-L1162 PolarHBondContact O-N 3.25Å; I1159-L1162 VanDerWaalsContact O-N 3.11Å; I1159-C1163 PolarHBondContact O-N 2.93Å; I1159-C1163 PolarHBondContact O-SG 2.71Å |
| 1160 | Q | 45.1 | Very low | 42.8 | Very low | 88 Ų | 88 | 82.3 Ų | 82.3 | 41% | 0.411 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.6 | -37.2 | 175.1 | -84 | 178.3 | -18.9 | 0 | 0 | 112.2 | N1156 I1157 C1163 | N1156-Q1160 WeakPolarHBondContact O-CB 3.46Å; N1156-Q1160 WeakPolarHBondContact O-CG 3.47Å; N1156-Q1160 PolarHBondContact O-N 3.37Å; I1157-Q1160 PolarHBondContact O-N 2.91Å; Q1160-C1163 PolarHBondContact O-N 3.09Å |
| 1161 | C | 43.7 | Very low | 42.6 | Very low | 59 Ų | 59 | 73.9 Ų | 73.9 | 40% | 0.399 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.9 | -39.6 | 173.4 | -67.3 | 0 | 0 | 0 | 0 | 112.4 | I1157 F1158 I1159 C1163 Y1164 M1167 | I1157-C1161 PolarHBondContact O-N 2.81Å; I1157-C1161 VanDerWaalsContact O-N 3.07Å; I1157-C1161 PolarHBondContact O-SG 3.11Å; F1158-C1161 WeakPolarHBondContact O-CB 3.28Å; F1158-C1161 PolarHBondContact O-N 3.38Å; I1159-C1161 VanDerWaalsContact C-N 3.27Å; I1159-C1161 PolarHBondContact O-N 2.9Å; C1161-C1163 VanDerWaalsContact C-N 3.25Å; C1161-C1163 PolarHBondContact O-N 2.98Å; C1161-Y1164 WeakPolarHBondContact O-CD2 2.9Å; C1161-M1167 HydrophobicContact CB-CE 4.46Å; C1161-M1167 WeakPolarHBondContact O-CE 3.39Å |
| 1162 | L | 42 | Very low | 42.4 | Very low | 48 Ų | 48 | 72.9 Ų | 72.9 | 25% | 0.251 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -68.2 | -20.7 | 179.5 | -71 | 170.8 | 0 | 0 | 0 | 114.1 | F1158 I1159 Y1164 M1167 | F1158-L1162 HydrophobicContact CD1-CD1 3.97Å; F1158-L1162 HydrophobicContact CE1-CD1 3.54Å; F1158-L1162 HydrophobicContact CE1-CG 4.33Å; F1158-L1162 HydrophobicContact CZ-CD1 4.03Å; F1158-L1162 HydrophobicContact CZ-CG 4.44Å; F1158-L1162 PolarHBondContact O-N 3.08Å; F1158-L1162 VanDerWaalsContact O-N 3.15Å; I1159-L1162 PolarHBondContact O-N 3.25Å; I1159-L1162 VanDerWaalsContact O-N 3.11Å; L1162-Y1164 VanDerWaalsContact C-N 3.32Å; L1162-Y1164 PolarHBondContact O-N 2.97Å; L1162-M1167 HydrophobicContact CD2-SD 3.68Å |
| 1163 | C | 43.1 | Very low | 42.2 | Very low | 66 Ų | 66 | 76.4 Ų | 76.4 | 45% | 0.446 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 3.4 | -174.6 | -65.8 | 0 | 0 | 0 | 0 | 114.7 | I1159 Q1160 C1161 | I1159-C1163 PolarHBondContact O-N 2.93Å; I1159-C1163 PolarHBondContact O-SG 2.71Å; Q1160-C1163 PolarHBondContact O-N 3.09Å; C1161-C1163 VanDerWaalsContact C-N 3.25Å; C1161-C1163 PolarHBondContact O-N 2.98Å |
| 1164 | Y | 42.6 | Very low | 41.7 | Very low | 108 Ų | 108 | 73.4 Ų | 73.4 | 42% | 0.424 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -68.5 | 133.9 | 174.9 | -83.1 | -88.4 | 0 | 0 | 0 | 110.9 | C1161 L1162 E1166 M1167 I1168 | C1161-Y1164 WeakPolarHBondContact O-CD2 2.9Å; L1162-Y1164 VanDerWaalsContact C-N 3.32Å; L1162-Y1164 PolarHBondContact O-N 2.97Å; Y1164-E1166 PolarHBondContact O-N 3.43Å; Y1164-E1166 VanDerWaalsContact O-N 3.11Å; Y1164-M1167 WeakPolarHBondContact O-CB 3.21Å; Y1164-M1167 PolarHBondContact O-N 2.97Å; Y1164-I1168 PolarHBondContact O-N 3.37Å |
| 1165 | P | 38.9 | Very low | 41.5 | Very low | 95 Ų | 95 | 73.8 Ų | 73.8 | 62% | 0.617 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -53.1 | -36.5 | -175.8 | -26.3 | 32.4 | 0 | 0 | 0 | 114.1 | I1168 N1169 | P1165-I1168 PolarHBondContact O-N 3.21Å; P1165-N1169 PolarHBondContact O-N 3.14Å; P1165-N1169 VanDerWaalsContact O-N 3.14Å |
| 1166 | E | 38.5 | Very low | 41.1 | Very low | 117 Ų | 117 | 79.9 Ų | 79.9 | 55% | 0.547 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -70.8 | -30.6 | 178.2 | -66.3 | 171.8 | 169.4 | 0 | 0 | 112.5 | P1132 Y1164 N1169 L1170 | P1132-E1166 WeakPolarHBondContact CD-OE2 3.29Å; Y1164-E1166 PolarHBondContact O-N 3.43Å; Y1164-E1166 VanDerWaalsContact O-N 3.11Å; E1166-N1169 PolarHBondContact O-N 3.24Å; E1166-L1170 WeakPolarHBondContact O-CB 3.26Å; E1166-L1170 PolarHBondContact O-N 3.44Å |
| 1167 | M | 39.8 | Very low | 40.4 | Very low | 35 Ų | 35 | 78.4 Ų | 78.4 | 17% | 0.172 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -75.2 | -32.1 | 177.3 | -139 | -163.3 | -75.3 | 0 | 0 | 111.8 | I1138 C1161 L1162 Y1164 L1170 I1171 | I1138-M1167 HydrophobicContact CD1-CE 4.38Å; C1161-M1167 HydrophobicContact CB-CE 4.46Å; C1161-M1167 WeakPolarHBondContact O-CE 3.39Å; L1162-M1167 HydrophobicContact CD2-SD 3.68Å; Y1164-M1167 WeakPolarHBondContact O-CB 3.21Å; Y1164-M1167 PolarHBondContact O-N 2.97Å; M1167-L1170 PolarHBondContact O-N 3.26Å; M1167-I1171 WeakPolarHBondContact O-CB 3.4Å; M1167-I1171 WeakPolarHBondContact O-CD1 3.31Å; M1167-I1171 WeakPolarHBondContact O-CG1 3.29Å; M1167-I1171 PolarHBondContact O-N 3.36Å |
| 1168 | I | 44 | Very low | 39.8 | Very low | 69 Ų | 69 | 82.2 Ų | 82.2 | 35% | 0.354 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66.8 | -41.1 | 170.9 | -62.2 | 173.2 | 0 | 0 | 0 | 110.4 | Y1164 P1165 L1170 I1171 T1172 | Y1164-I1168 PolarHBondContact O-N 3.37Å; P1165-I1168 PolarHBondContact O-N 3.21Å; I1168-L1170 VanDerWaalsContact C-N 3.31Å; I1168-L1170 PolarHBondContact O-N 3.04Å; I1168-I1171 PolarHBondContact O-N 3.03Å; I1168-T1172 WeakPolarHBondContact O-CB 3.31Å; I1168-T1172 WeakPolarHBondContact O-CG2 3.31Å; I1168-T1172 PolarHBondContact O-N 3.45Å; I1168-T1172 PolarHBondContact O-OG1 3.33Å |
| 1169 | N | 40 | Very low | 38.9 | Very low | 102 Ų | 102 | 83.5 Ų | 83.5 | 55% | 0.545 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.7 | -35.8 | 171 | -86.4 | -14.2 | 0 | 0 | 0 | 112.5 | P1165 E1166 T1172 Q1173 | P1165-N1169 PolarHBondContact O-N 3.14Å; P1165-N1169 VanDerWaalsContact O-N 3.14Å; E1166-N1169 PolarHBondContact O-N 3.24Å; N1169-T1172 VanDerWaalsContact CA-OG1 3.22Å; N1169-T1172 WeakPolarHBondContact CA-OG1 3.48Å; N1169-T1172 PolarHBondContact O-OG1 3.42Å; N1169-Q1173 VanDerWaalsContact O-CB 3.28Å; N1169-Q1173 WeakPolarHBondContact O-CB 3.38Å; N1169-Q1173 VanDerWaalsContact O-CG 3.25Å; N1169-Q1173 WeakPolarHBondContact O-CG 3.27Å; N1169-Q1173 PolarHBondContact O-N 3.37Å |
| 1170 | L | 38.1 | Very low | 38 | Very low | 66 Ų | 66 | 89.9 Ų | 89.9 | 35% | 0.346 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -71.1 | -39.2 | 176.6 | -135.7 | 138.4 | 0 | 0 | 0 | 112.2 | E1166 M1167 I1168 W1174 | E1166-L1170 WeakPolarHBondContact O-CB 3.26Å; E1166-L1170 PolarHBondContact O-N 3.44Å; M1167-L1170 PolarHBondContact O-N 3.26Å; I1168-L1170 VanDerWaalsContact C-N 3.31Å; I1168-L1170 PolarHBondContact O-N 3.04Å; L1170-W1174 VanDerWaalsContact O-CB 3.24Å; L1170-W1174 WeakPolarHBondContact O-CB 3.34Å; L1170-W1174 PolarHBondContact O-N 3.4Å |
| 1171 | I | 39.9 | Very low | 37.2 | Very low | 52 Ų | 52 | 97.1 Ų | 97.1 | 27% | 0.267 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67 | -38.6 | 174.5 | -69.2 | 163.5 | 0 | 0 | 0 | 111.1 | M1167 I1168 W1174 N1175 | M1167-I1171 WeakPolarHBondContact O-CB 3.4Å; M1167-I1171 WeakPolarHBondContact O-CD1 3.31Å; M1167-I1171 WeakPolarHBondContact O-CG1 3.29Å; M1167-I1171 PolarHBondContact O-N 3.36Å; I1168-I1171 PolarHBondContact O-N 3.03Å; I1171-W1174 PolarHBondContact O-N 2.96Å; I1171-N1175 PolarHBondContact O-N 3.44Å; I1171-N1175 VanDerWaalsContact O-N 3.09Å; I1171-N1175 PolarHBondContact O-ND2 3.46Å |
| 1172 | T | 40.6 | Very low | 36.6 | Very low | 57 Ų | 57 | 99.9 Ų | 99.9 | 35% | 0.35 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -73.6 | -38.2 | 176.8 | 49.2 | 0 | 0 | 0 | 0 | 112.5 | I1168 N1169 N1175 Q1176 | I1168-T1172 WeakPolarHBondContact O-CB 3.31Å; I1168-T1172 WeakPolarHBondContact O-CG2 3.31Å; I1168-T1172 PolarHBondContact O-N 3.45Å; I1168-T1172 PolarHBondContact O-OG1 3.33Å; N1169-T1172 VanDerWaalsContact CA-OG1 3.22Å; N1169-T1172 WeakPolarHBondContact CA-OG1 3.48Å; N1169-T1172 PolarHBondContact O-OG1 3.42Å; T1172-N1175 PolarHBondContact O-N 2.86Å; T1172-Q1176 PolarHBondContact O-N 2.89Å |
| 1173 | Q | 38.1 | Very low | 36.4 | Very low | 132 Ų | 132 | 103.2 Ų | 103.2 | 62% | 0.617 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.4 | -37.6 | 169.7 | -76.7 | 179.3 | -3.3 | 0 | 0 | 112.1 | N1169 N1175 Q1176 | N1169-Q1173 VanDerWaalsContact O-CB 3.28Å; N1169-Q1173 WeakPolarHBondContact O-CB 3.38Å; N1169-Q1173 VanDerWaalsContact O-CG 3.25Å; N1169-Q1173 WeakPolarHBondContact O-CG 3.27Å; N1169-Q1173 PolarHBondContact O-N 3.37Å; Q1173-N1175 VanDerWaalsContact C-N 3.3Å; Q1173-N1175 PolarHBondContact O-N 3Å; Q1173-Q1176 PolarHBondContact O-N 3.21Å; Q1173-Q1176 VanDerWaalsContact O-N 3.11Å |
| 1174 | W | 32.1 | Very low | 36.2 | Very low | 116 Ų | 116 | 105.9 Ų | 105.9 | 44% | 0.439 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.4 | -35.4 | 173.8 | -91.2 | 29.4 | 0 | 0 | 0 | 112.8 | L1170 I1171 Q1176 G1177 P1186 | L1170-W1174 VanDerWaalsContact O-CB 3.24Å; L1170-W1174 WeakPolarHBondContact O-CB 3.34Å; L1170-W1174 PolarHBondContact O-N 3.4Å; I1171-W1174 PolarHBondContact O-N 2.96Å; W1174-Q1176 VanDerWaalsContact C-N 3.25Å; W1174-Q1176 PolarHBondContact O-N 3.18Å; W1174-G1177 PolarHBondContact O-N 3.29Å; W1174-P1186 HydrophobicContact CE3-CG 3.87Å; W1174-P1186 HydrophobicContact CZ3-CG 4.02Å |
| 1175 | N | 37.3 | Very low | 36.4 | Very low | 60 Ų | 60 | 102.6 Ų | 102.6 | 32% | 0.321 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -71.3 | -18 | 175.3 | -76.2 | -28.9 | 0 | 0 | 0 | 113.5 | I1171 T1172 Q1173 | I1171-N1175 PolarHBondContact O-N 3.44Å; I1171-N1175 VanDerWaalsContact O-N 3.09Å; I1171-N1175 PolarHBondContact O-ND2 3.46Å; T1172-N1175 PolarHBondContact O-N 2.86Å; Q1173-N1175 VanDerWaalsContact C-N 3.3Å; Q1173-N1175 PolarHBondContact O-N 3Å |
| 1176 | Q | 37.1 | Very low | 36.6 | Very low | 171 Ų | 171 | 99.7 Ų | 99.7 | 80% | 0.799 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -86.4 | -11.5 | 176.7 | -69.1 | 180 | -4.8 | 0 | 0 | 113.3 | T1172 Q1173 W1174 | T1172-Q1176 PolarHBondContact O-N 2.89Å; Q1173-Q1176 PolarHBondContact O-N 3.21Å; Q1173-Q1176 VanDerWaalsContact O-N 3.11Å; W1174-Q1176 VanDerWaalsContact C-N 3.25Å; W1174-Q1176 PolarHBondContact O-N 3.18Å |
| 1177 | G | 30.1 | Very low | 37.1 | Very low | 61 Ų | 61 | 95.5 Ų | 95.5 | 63% | 0.629 | 51% | 0.513 | S | S | * | . | trans | -112.6 | 61.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | W1174 | W1174-G1177 PolarHBondContact O-N 3.29Š| ||
| 1178 | I | 31.1 | Very low | 37.6 | Very low | 138 Ų | 138 | 96.6 Ų | 96.6 | 71% | 0.708 | 52% | 0.522 | S | S | * | . | trans | -108.9 | 82 | 174.3 | -55.6 | 175.4 | 0 | 0 | 0 | 110 | ||||
| 1179 | S | 28.4 | Very low | 37.8 | Very low | 95 Ų | 95 | 97 Ų | 97 | 66% | 0.664 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -148.8 | 118.9 | 146.4 | 67.1 | 0 | 0 | 0 | 0 | 106.5 | ||
| 1180 | L | 26.8 | Very low | 38.2 | Very low | 152 Ų | 152 | 95.2 Ų | 95.2 | 80% | 0.796 | 51% | 0.513 | S | S | * | . | S | Bend | trans | 83.4 | 86 | 177.6 | -58.4 | 136.3 | 0 | 0 | 0 | 115.6 | ||
| 1181 | W | 29 | Very low | 38.7 | Very low | 240 Ų | 240 | 93.3 Ų | 93.3 | 91% | 0.909 | 50% | 0.504 | S | S | * | . | 167.4 | 142.7 | 114.1 | -79.4 | 9.2 | 0 | 0 | 0 | 112.2 | T1183 | W1181-T1183 PolarHBondContact O-N 3.35Š| |||
| 1182 | S | 31.6 | Very low | 39 | Very low | 118 Ų | 118 | 95.1 Ų | 95.1 | 83% | 0.825 | 51% | 0.514 | S | S | * | . | trans | -84.7 | 88.4 | -174.4 | 53.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1183 | T | 36.6 | Very low | 39.3 | Very low | 117 Ų | 117 | 95.4 Ų | 95.4 | 72% | 0.718 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -160.1 | 136.3 | 155.7 | 39.8 | 0 | 0 | 0 | 0 | 109.8 | W1181 | W1181-T1183 PolarHBondContact O-N 3.35Š|
| 1184 | L | 40.2 | Very low | 39.8 | Very low | 123 Ų | 123 | 90.4 Ų | 90.4 | 64% | 0.644 | 49% | 0.49 | S | S | * | . | trans | -25 | 117.2 | -166.7 | -75.6 | 96.6 | 0 | 0 | 0 | 117.5 | V1188 I1189 | L1184-V1188 HydrophobicContact CD2-CG1 4.25Å; L1184-I1189 HydrophobicContact CD2-CG1 4.25Å | ||
| 1185 | S | 46.3 | Very low | 40.7 | Very low | 38 Ų | 38 | 88.9 Ų | 88.9 | 27% | 0.266 | 50% | 0.497 | S | S | . | . | trans | -64.7 | 141.8 | 167.1 | 177.6 | 0 | 0 | 0 | 0 | 111.5 | T1187 V1188 I1189 | S1185-T1187 PolarHBondContact O-N 2.94Å; S1185-T1187 VanDerWaalsContact O-N 3.11Å; S1185-T1187 PolarHBondContact OG-N 3.34Å; S1185-T1187 PolarHBondContact OG-OG1 2.96Å; S1185-V1188 WeakPolarHBondContact O-CB 3.32Å; S1185-V1188 PolarHBondContact O-N 3.33Å; S1185-I1189 PolarHBondContact O-N 3.23Å | ||
| 1186 | P | 44 | Very low | 41 | Very low | 34 Ų | 34 | 91.3 Ų | 91.3 | 22% | 0.221 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -52.1 | -29.8 | 170.9 | -26.3 | 34.1 | 0 | 0 | 0 | 113.7 | W1174 V1188 I1189 L1190 | W1174-P1186 HydrophobicContact CE3-CG 3.87Å; W1174-P1186 HydrophobicContact CZ3-CG 4.02Å; P1186-V1188 VanDerWaalsContact C-N 3.34Å; P1186-V1188 PolarHBondContact O-N 3.01Å; P1186-I1189 PolarHBondContact O-N 3.17Å; P1186-L1190 WeakPolarHBondContact O-CG 3.38Å; P1186-L1190 PolarHBondContact O-N 2.96Å |
| 1187 | T | 48.5 | Very low | 41.4 | Very low | 30 Ų | 30 | 88 Ų | 88 | 18% | 0.184 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -63.5 | -36.3 | 172.8 | 18.8 | 0 | 0 | 0 | 0 | 112.6 | S1185 L1191 L1217 | S1185-T1187 PolarHBondContact O-N 2.94Å; S1185-T1187 VanDerWaalsContact O-N 3.11Å; S1185-T1187 PolarHBondContact OG-N 3.34Å; S1185-T1187 PolarHBondContact OG-OG1 2.96Å; T1187-L1191 VanDerWaalsContact O-CB 3.23Å; T1187-L1191 WeakPolarHBondContact O-CB 3.49Å; T1187-L1191 WeakPolarHBondContact O-CD1 3.4Å; T1187-L1191 VanDerWaalsContact O-CG 3.28Å; T1187-L1191 WeakPolarHBondContact O-CG 3.41Å; T1187-L1191 PolarHBondContact O-N 3.34Å; T1187-L1217 HydrophobicContact CG2-CD2 4.06Å |
| 1188 | V | 49.9 | Very low | 42.3 | Very low | 58 Ų | 58 | 88.4 Ų | 88.4 | 35% | 0.352 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.2 | -35.8 | 177.2 | 176.8 | 0 | 0 | 0 | 0 | 110.9 | L1184 S1185 P1186 N1192 | L1184-V1188 HydrophobicContact CD2-CG1 4.25Å; S1185-V1188 WeakPolarHBondContact O-CB 3.32Å; S1185-V1188 PolarHBondContact O-N 3.33Å; P1186-V1188 VanDerWaalsContact C-N 3.34Å; P1186-V1188 PolarHBondContact O-N 3.01Å; V1188-N1192 WeakPolarHBondContact O-CB 3.14Å; V1188-N1192 PolarHBondContact O-N 3.17Å |
| 1189 | I | 47.6 | Very low | 43.1 | Very low | 76 Ų | 76 | 87.8 Ų | 87.8 | 39% | 0.39 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.5 | -47.1 | 175.7 | -61 | 174.4 | 0 | 0 | 0 | 110.1 | L1184 S1185 P1186 N1192 F1193 | L1184-I1189 HydrophobicContact CD2-CG1 4.25Å; S1185-I1189 PolarHBondContact O-N 3.23Å; P1186-I1189 PolarHBondContact O-N 3.17Å; I1189-N1192 PolarHBondContact O-N 2.87Å; I1189-F1193 WeakPolarHBondContact O-CB 3.43Å; I1189-F1193 PolarHBondContact O-N 2.59Å |
| 1190 | L | 48.3 | Very low | 43.9 | Very low | 65 Ų | 65 | 89.2 Ų | 89.2 | 34% | 0.34 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.3 | -39.1 | 176.8 | -74.5 | 163.6 | 0 | 0 | 0 | 112.4 | P1186 F1193 S1194 F1201 | P1186-L1190 WeakPolarHBondContact O-CG 3.38Å; P1186-L1190 PolarHBondContact O-N 2.96Å; L1190-F1193 PolarHBondContact O-N 2.96Å; L1190-S1194 WeakPolarHBondContact O-CB 3.37Å; L1190-S1194 PolarHBondContact O-N 3.06Å; L1190-F1201 HydrophobicContact CD2-CE2 3.92Å |
| 1191 | L | 49.1 | Very low | 45 | Very low | 26 Ų | 26 | 82.7 Ų | 82.7 | 14% | 0.136 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -68.7 | -43.2 | 177.3 | -80.8 | 152 | 0 | 0 | 0 | 112.4 | T1187 F1193 S1194 S1195 L1218 S1221 L1225 | T1187-L1191 VanDerWaalsContact O-CB 3.23Å; T1187-L1191 WeakPolarHBondContact O-CB 3.49Å; T1187-L1191 WeakPolarHBondContact O-CD1 3.4Å; T1187-L1191 VanDerWaalsContact O-CG 3.28Å; T1187-L1191 WeakPolarHBondContact O-CG 3.41Å; T1187-L1191 PolarHBondContact O-N 3.34Å; L1191-F1193 PolarHBondContact O-N 2.97Å; L1191-S1194 WeakPolarHBondContact CA-OG 3.42Å; L1191-S1194 PolarHBondContact O-N 2.73Å; L1191-S1194 PolarHBondContact O-OG 3.45Å; L1191-S1195 PolarHBondContact O-N 3.25Å; L1191-L1218 HydrophobicContact CD2-CD2 4.08Å; L1191-L1218 HydrophobicContact CG-CD2 4.37Å; L1191-S1221 WeakPolarHBondContact CD1-OG 3.47Å; L1191-L1225 HydrophobicContact CB-CD1 4.28Å; L1191-L1225 HydrophobicContact CD1-CD1 3.37Å; L1191-L1225 HydrophobicContact CD1-CG 4.37Å; L1191-L1225 HydrophobicContact CD2-CD1 4.1Å; L1191-L1225 HydrophobicContact CG-CD1 4.1Å |
| 1192 | N | 47.3 | Very low | 46 | Very low | 90 Ų | 90 | 76.2 Ų | 76.2 | 48% | 0.481 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.3 | -30.8 | 172.8 | -105.4 | -14.9 | 0 | 0 | 0 | 112.5 | V1188 I1189 S1195 K1196 | V1188-N1192 WeakPolarHBondContact O-CB 3.14Å; V1188-N1192 PolarHBondContact O-N 3.17Å; I1189-N1192 PolarHBondContact O-N 2.87Å; N1192-S1195 PolarHBondContact O-OG 3.42Å; N1192-S1195 VanDerWaalsContact O-OG 3.04Å; N1192-K1196 PolarHBondContact O-N 3.22Å |
| 1193 | F | 46.6 | Very low | 46.8 | Very low | 63 Ų | 63 | 75.7 Ų | 75.7 | 28% | 0.276 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -75.1 | -40.3 | 175.8 | -152.2 | -87 | 0 | 0 | 0 | 111.6 | F1155 I1189 L1190 L1191 S1195 K1196 Y1197 | F1155-F1193 AromaticContact CD2-CE1 3.98Å; F1155-F1193 HydrophobicContact CD2-CE1 3.98Å; F1155-F1193 HydrophobicContact CD2-CE2 4.12Å; F1155-F1193 AromaticContact CD2-CZ 3.44Å; F1155-F1193 HydrophobicContact CD2-CZ 3.44Å; F1155-F1193 VanDerWaalsContact CD2-CZ 3.44Å; F1155-F1193 HydrophobicContact CE1-CE1 4.37Å; F1155-F1193 AromaticContact CE2-CD1 4Å; F1155-F1193 HydrophobicContact CE2-CD1 4Å; F1155-F1193 AromaticContact CE2-CE1 3.18Å; F1155-F1193 HydrophobicContact CE2-CE1 3.18Å; F1155-F1193 AromaticContact CE2-CE2 3.86Å; F1155-F1193 HydrophobicContact CE2-CE2 3.86Å; F1155-F1193 AromaticContact CE2-CZ 3.1Å; F1155-F1193 HydrophobicContact CE2-CZ 3.1Å; F1155-F1193 HydrophobicContact CG-CZ 4.37Å; F1155-F1193 HydrophobicContact CZ-CD1 4.2Å; F1155-F1193 AromaticContact CZ-CE1 3.41Å; F1155-F1193 HydrophobicContact CZ-CE1 3.41Å; F1155-F1193 VanDerWaalsContact CZ-CE1 3.41Å; F1155-F1193 AromaticContact CZ-CZ 3.81Å; F1155-F1193 HydrophobicContact CZ-CZ 3.81Å; I1189-F1193 WeakPolarHBondContact O-CB 3.43Å; I1189-F1193 PolarHBondContact O-N 2.59Å; L1190-F1193 PolarHBondContact O-N 2.96Å; L1191-F1193 PolarHBondContact O-N 2.97Å; F1193-S1195 VanDerWaalsContact C-N 3.3Å; F1193-S1195 PolarHBondContact O-N 3.46Å; F1193-K1196 PolarHBondContact O-N 2.85Å; F1193-Y1197 HydrophobicContact CD1-CD2 4.2Å; F1193-Y1197 HydrophobicContact CD2-CD2 4.4Å; F1193-Y1197 AromaticContact CE1-CD2 3.8Å; F1193-Y1197 HydrophobicContact CE1-CD2 3.8Å; F1193-Y1197 HydrophobicContact CE1-CG 4.34Å; F1193-Y1197 HydrophobicContact CE2-CD2 4.03Å; F1193-Y1197 HydrophobicContact CE2-CE2 4.26Å; F1193-Y1197 HydrophobicContact CG-CD2 4.48Å; F1193-Y1197 AromaticContact CZ-CD2 3.7Å; F1193-Y1197 HydrophobicContact CZ-CD2 3.7Å; F1193-Y1197 HydrophobicContact CZ-CE2 4.22Å; F1193-Y1197 PolarHBondContact O-N 2.9Å |
| 1194 | S | 48.2 | Very low | 47.3 | Very low | 28 Ų | 28 | 72.7 Ų | 72.7 | 20% | 0.196 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65 | -31.9 | 175.6 | 74.6 | 0 | 0 | 0 | 0 | 112.9 | L1190 L1191 P1198 | L1190-S1194 WeakPolarHBondContact O-CB 3.37Å; L1190-S1194 PolarHBondContact O-N 3.06Å; L1191-S1194 WeakPolarHBondContact CA-OG 3.42Å; L1191-S1194 PolarHBondContact O-N 2.73Å; L1191-S1194 PolarHBondContact O-OG 3.45Å; S1194-P1198 WeakPolarHBondContact O-CA 3.44Å |
| 1195 | S | 50.3 | Low | 47.7 | Very low | 83 Ų | 83 | 67.4 Ų | 67.4 | 58% | 0.58 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -76 | -28.7 | 176 | 73.1 | 0 | 0 | 0 | 0 | 112.7 | L1191 N1192 F1193 | L1191-S1195 PolarHBondContact O-N 3.25Å; N1192-S1195 PolarHBondContact O-OG 3.42Å; N1192-S1195 VanDerWaalsContact O-OG 3.04Å; F1193-S1195 VanDerWaalsContact C-N 3.3Å; F1193-S1195 PolarHBondContact O-N 3.46Å |
| 1196 | K | 43.4 | Very low | 47.7 | Very low | 112 Ų | 112 | 71.3 Ų | 71.3 | 49% | 0.487 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -89.2 | -31.7 | 178.4 | -80.8 | -172.1 | 171.6 | -171.2 | 0 | 114.5 | I1147 N1192 F1193 | I1147-K1196 HydrophobicContact CG2-CD 4.21Å; N1192-K1196 PolarHBondContact O-N 3.22Å; F1193-K1196 PolarHBondContact O-N 2.85Å |
| 1197 | Y | 47 | Very low | 47.7 | Very low | 100 Ų | 100 | 74.9 Ų | 74.9 | 39% | 0.392 | 38% | 0.381 | S | S | . | . | trans | -137.6 | 61.1 | -175.9 | -55.2 | -72.3 | 0 | 0 | 0 | 112.6 | F1193 I1199 R1200 F1201 | F1193-Y1197 HydrophobicContact CD1-CD2 4.2Å; F1193-Y1197 HydrophobicContact CD2-CD2 4.4Å; F1193-Y1197 AromaticContact CE1-CD2 3.8Å; F1193-Y1197 HydrophobicContact CE1-CD2 3.8Å; F1193-Y1197 HydrophobicContact CE1-CG 4.34Å; F1193-Y1197 HydrophobicContact CE2-CD2 4.03Å; F1193-Y1197 HydrophobicContact CE2-CE2 4.26Å; F1193-Y1197 HydrophobicContact CG-CD2 4.48Å; F1193-Y1197 AromaticContact CZ-CD2 3.7Å; F1193-Y1197 HydrophobicContact CZ-CD2 3.7Å; F1193-Y1197 HydrophobicContact CZ-CE2 4.22Å; F1193-Y1197 PolarHBondContact O-N 2.9Å; Y1197-I1199 VanDerWaalsContact C-N 3.33Å; Y1197-I1199 PolarHBondContact O-N 3.21Å; Y1197-R1200 PolarHBondContact O-N 3.25Å; Y1197-F1201 WeakPolarHBondContact O-CB 3.48Å; Y1197-F1201 PolarHBondContact O-N 2.87Å; Y1197-F1201 VanDerWaalsContact O-N 3.12Å | ||
| 1198 | P | 47.5 | Very low | 47.6 | Very low | 70 Ų | 70 | 75 Ų | 75 | 46% | 0.455 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.5 | -37.1 | -171.3 | 22.8 | -33.1 | 0 | 0 | 0 | 113.4 | S1194 F1201 L1202 | S1194-P1198 WeakPolarHBondContact O-CA 3.44Å; P1198-F1201 PolarHBondContact O-N 3.45Å; P1198-L1202 WeakPolarHBondContact O-CB 3.25Å; P1198-L1202 WeakPolarHBondContact O-CG 3.46Å; P1198-L1202 PolarHBondContact O-N 2.96Å |
| 1199 | I | 47.8 | Very low | 47.3 | Very low | 125 Ų | 125 | 77.2 Ų | 77.2 | 64% | 0.641 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -68.2 | -45.5 | -176.4 | -61.3 | 170.6 | 0 | 0 | 0 | 111.3 | Y1197 F1201 L1202 E1203 | Y1197-I1199 VanDerWaalsContact C-N 3.33Å; Y1197-I1199 PolarHBondContact O-N 3.21Å; I1199-F1201 VanDerWaalsContact C-N 3.35Å; I1199-L1202 WeakPolarHBondContact O-CB 3.16Å; I1199-L1202 PolarHBondContact O-N 3.47Å; I1199-E1203 WeakPolarHBondContact O-CG 3.36Å; I1199-E1203 PolarHBondContact O-N 2.98Å |
| 1200 | R | 45.2 | Very low | 47 | Very low | 126 Ų | 126 | 80.4 Ų | 80.4 | 48% | 0.475 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -72.2 | -31.4 | 178.6 | -74.2 | -163.9 | 175.3 | -178.6 | 2.3 | 112.9 | Y1197 L1202 E1203 W1204 | Y1197-R1200 PolarHBondContact O-N 3.25Å; R1200-L1202 VanDerWaalsContact C-N 3.33Å; R1200-E1203 PolarHBondContact O-N 3.41Å; R1200-W1204 WeakPolarHBondContact O-CB 3.39Å; R1200-W1204 PolarHBondContact O-N 2.93Å |
| 1201 | F | 51.5 | Low | 46.5 | Very low | 14 Ų | 14 | 78.3 Ų | 78.3 | 6% | 0.061 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -65.5 | -39.8 | 171.5 | -169 | -81 | 0 | 0 | 0 | 111 | L1190 Y1197 P1198 I1199 W1204 A1205 I1214 L1218 | L1190-F1201 HydrophobicContact CD2-CE2 3.92Å; Y1197-F1201 WeakPolarHBondContact O-CB 3.48Å; Y1197-F1201 PolarHBondContact O-N 2.87Å; Y1197-F1201 VanDerWaalsContact O-N 3.12Å; P1198-F1201 PolarHBondContact O-N 3.45Å; I1199-F1201 VanDerWaalsContact C-N 3.35Å; F1201-W1204 HydrophobicContact CD2-CE3 4.38Å; F1201-W1204 HydrophobicContact CE1-CE3 4.42Å; F1201-W1204 HydrophobicContact CE1-CZ3 4.47Å; F1201-W1204 AromaticContact CE2-CE3 3.98Å; F1201-W1204 HydrophobicContact CE2-CE3 3.98Å; F1201-W1204 AromaticContact CE2-CZ3 3.89Å; F1201-W1204 HydrophobicContact CE2-CZ3 3.89Å; F1201-W1204 HydrophobicContact CZ-CE3 4.01Å; F1201-W1204 AromaticContact CZ-CZ3 3.75Å; F1201-W1204 HydrophobicContact CZ-CZ3 3.75Å; F1201-W1204 PolarHBondContact O-N 2.95Å; F1201-A1205 WeakPolarHBondContact O-CB 3.35Å; F1201-A1205 PolarHBondContact O-N 3.03Å; F1201-I1214 HydrophobicContact CE1-CG2 4.12Å; F1201-I1214 HydrophobicContact CZ-CG2 3.96Å; F1201-L1218 HydrophobicContact CD1-CD1 4.13Å; F1201-L1218 HydrophobicContact CE1-CD1 3.28Å; F1201-L1218 HydrophobicContact CE1-CG 4.34Å; F1201-L1218 HydrophobicContact CZ-CD1 3.79Å; F1201-L1218 HydrophobicContact CZ-CD2 4.48Å; F1201-L1218 HydrophobicContact CZ-CG 4.41Å |
| 1202 | L | 50 | Low | 46.2 | Very low | 104 Ų | 104 | 83.7 Ų | 83.7 | 55% | 0.545 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.4 | -43.9 | 171.9 | -86.6 | 160.2 | 0 | 0 | 0 | 112.2 | P1198 I1199 R1200 W1204 A1205 L1206 | P1198-L1202 WeakPolarHBondContact O-CB 3.25Å; P1198-L1202 WeakPolarHBondContact O-CG 3.46Å; P1198-L1202 PolarHBondContact O-N 2.96Å; I1199-L1202 WeakPolarHBondContact O-CB 3.16Å; I1199-L1202 PolarHBondContact O-N 3.47Å; R1200-L1202 VanDerWaalsContact C-N 3.33Å; L1202-W1204 VanDerWaalsContact C-N 3.31Å; L1202-W1204 PolarHBondContact O-N 3.4Å; L1202-A1205 PolarHBondContact O-N 3.5Å; L1202-L1206 VanDerWaalsContact O-CB 3.27Å; L1202-L1206 WeakPolarHBondContact O-CB 3.31Å; L1202-L1206 WeakPolarHBondContact O-CD1 3.38Å; L1202-L1206 WeakPolarHBondContact O-CG 3.48Å; L1202-L1206 PolarHBondContact O-N 3.34Å |
| 1203 | E | 46.8 | Very low | 46.2 | Very low | 107 Ų | 107 | 83.3 Ų | 83.3 | 50% | 0.5 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -57 | -45.5 | 173.5 | -74.8 | 176 | 161.9 | 0 | 0 | 111.2 | I1199 R1200 L1206 L1207 | I1199-E1203 WeakPolarHBondContact O-CG 3.36Å; I1199-E1203 PolarHBondContact O-N 2.98Å; R1200-E1203 PolarHBondContact O-N 3.41Å; E1203-L1206 PolarHBondContact O-N 3.14Å; E1203-L1207 VanDerWaalsContact O-CB 3.27Å; E1203-L1207 WeakPolarHBondContact O-CB 3.37Å; E1203-L1207 VanDerWaalsContact O-CD1 3.27Å; E1203-L1207 WeakPolarHBondContact O-CD1 3.4Å; E1203-L1207 WeakPolarHBondContact O-CG 3.45Å; E1203-L1207 PolarHBondContact O-N 3.11Å |
| 1204 | W | 48.5 | Very low | 46.3 | Very low | 54 Ų | 54 | 81.8 Ų | 81.8 | 21% | 0.205 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -64.3 | -45.8 | 176.1 | 176.8 | 71.4 | 0 | 0 | 0 | 112.9 | R1200 F1201 L1202 L1206 L1207 S1208 I1214 | R1200-W1204 WeakPolarHBondContact O-CB 3.39Å; R1200-W1204 PolarHBondContact O-N 2.93Å; F1201-W1204 HydrophobicContact CD2-CE3 4.38Å; F1201-W1204 HydrophobicContact CE1-CE3 4.42Å; F1201-W1204 HydrophobicContact CE1-CZ3 4.47Å; F1201-W1204 AromaticContact CE2-CE3 3.98Å; F1201-W1204 HydrophobicContact CE2-CE3 3.98Å; F1201-W1204 AromaticContact CE2-CZ3 3.89Å; F1201-W1204 HydrophobicContact CE2-CZ3 3.89Å; F1201-W1204 HydrophobicContact CZ-CE3 4.01Å; F1201-W1204 AromaticContact CZ-CZ3 3.75Å; F1201-W1204 HydrophobicContact CZ-CZ3 3.75Å; F1201-W1204 PolarHBondContact O-N 2.95Å; L1202-W1204 VanDerWaalsContact C-N 3.31Å; L1202-W1204 PolarHBondContact O-N 3.4Å; W1204-L1206 VanDerWaalsContact C-N 3.26Å; W1204-L1206 PolarHBondContact O-N 3.25Å; W1204-L1207 PolarHBondContact O-N 2.78Å; W1204-L1207 VanDerWaalsContact O-N 3.1Å; W1204-S1208 PolarHBondContact O-N 3.27Å; W1204-I1214 HydrophobicContact CH2-CD1 3.58Å; W1204-I1214 HydrophobicContact CH2-CG1 4.47Å; W1204-I1214 HydrophobicContact CZ2-CD1 4.28Å; W1204-I1214 HydrophobicContact CZ3-CD1 3.79Å; W1204-I1214 HydrophobicContact CZ3-CG2 4.01Å |
| 1205 | A | 48.6 | Very low | 46.2 | Very low | 13 Ų | 13 | 84.8 Ų | 84.8 | 11% | 0.107 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -61.4 | -36.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1201 L1202 | F1201-A1205 WeakPolarHBondContact O-CB 3.35Å; F1201-A1205 PolarHBondContact O-N 3.03Å; L1202-A1205 PolarHBondContact O-N 3.5Å |
| 1206 | L | 45.9 | Very low | 46.2 | Very low | 120 Ų | 120 | 86.5 Ų | 86.5 | 63% | 0.628 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -75.5 | -23.5 | 175.6 | -72.1 | 166.9 | 0 | 0 | 0 | 113.3 | R1017 L1202 E1203 W1204 | R1017-L1206 PolarHBondContact NH2-O 3.46Å; L1202-L1206 VanDerWaalsContact O-CB 3.27Å; L1202-L1206 WeakPolarHBondContact O-CB 3.31Å; L1202-L1206 WeakPolarHBondContact O-CD1 3.38Å; L1202-L1206 WeakPolarHBondContact O-CG 3.48Å; L1202-L1206 PolarHBondContact O-N 3.34Å; E1203-L1206 PolarHBondContact O-N 3.14Å; W1204-L1206 VanDerWaalsContact C-N 3.26Å; W1204-L1206 PolarHBondContact O-N 3.25Å |
| 1207 | L | 43.3 | Very low | 46.4 | Very low | 108 Ų | 108 | 84.6 Ų | 84.6 | 57% | 0.565 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -90 | -21.4 | -179.2 | -79.1 | 161.6 | 0 | 0 | 0 | 113.6 | E1203 W1204 | E1203-L1207 VanDerWaalsContact O-CB 3.27Å; E1203-L1207 WeakPolarHBondContact O-CB 3.37Å; E1203-L1207 VanDerWaalsContact O-CD1 3.27Å; E1203-L1207 WeakPolarHBondContact O-CD1 3.4Å; E1203-L1207 WeakPolarHBondContact O-CG 3.45Å; E1203-L1207 PolarHBondContact O-N 3.11Å; W1204-L1207 PolarHBondContact O-N 2.78Å; W1204-L1207 VanDerWaalsContact O-N 3.1Å |
| 1208 | S | 45.9 | Very low | 46.4 | Very low | 32 Ų | 32 | 81.8 Ų | 81.8 | 22% | 0.224 | 43% | 0.425 | C | S | . | . | S | Bend | trans | -85.4 | 138.5 | 178 | 75.9 | 0 | 0 | 0 | 0 | 112.4 | W1204 Y1210 G1211 | W1204-S1208 PolarHBondContact O-N 3.27Å; S1208-Y1210 PolarHBondContact O-N 3.24Å; S1208-G1211 PolarHBondContact O-N 2.61Å |
| 1209 | S | 43.5 | Very low | 46.5 | Very low | 106 Ų | 106 | 85.6 Ų | 85.6 | 74% | 0.741 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -1.6 | 175.6 | 52 | 0 | 0 | 0 | 0 | 114.4 | ||
| 1210 | Y | 42.5 | Very low | 46.5 | Very low | 143 Ų | 143 | 83 Ų | 83 | 56% | 0.561 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.8 | 15.7 | -177.9 | -66.1 | -81.2 | 0 | 0 | 0 | 113.5 | S1208 I1212 N1213 | S1208-Y1210 PolarHBondContact O-N 3.24Å; Y1210-I1212 PolarHBondContact O-N 3.39Å; Y1210-N1213 PolarHBondContact O-N 3.15Å |
| 1211 | G | 37.2 | Very low | 46.7 | Very low | 21 Ų | 21 | 77.4 Ų | 77.4 | 22% | 0.216 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -52.5 | -24.4 | -168.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | S1208 V1215 | S1208-G1211 PolarHBondContact O-N 2.61Å; G1211-V1215 WeakPolarHBondContact O-CG2 3.27Å; G1211-V1215 PolarHBondContact O-N 2.99Å |
| 1212 | I | 43.7 | Very low | 46.7 | Very low | 139 Ų | 139 | 83.4 Ų | 83.4 | 71% | 0.713 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -73.8 | -39.6 | 178.1 | -65.5 | 168.8 | 0 | 0 | 0 | 111.8 | Y1210 I1214 Q1216 | Y1210-I1212 PolarHBondContact O-N 3.39Å; I1212-I1214 VanDerWaalsContact C-N 3.34Å; I1212-I1214 PolarHBondContact O-N 3.03Å; I1212-Q1216 PolarHBondContact O-N 3.44Å |
| 1213 | N | 45.9 | Very low | 46.7 | Very low | 81 Ų | 81 | 81.9 Ų | 81.9 | 43% | 0.433 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -71 | -30.2 | -177.2 | -76.8 | -19.5 | 0 | 0 | 0 | 112.3 | Y1210 L1217 | Y1210-N1213 PolarHBondContact O-N 3.15Å; N1213-L1217 WeakPolarHBondContact O-CB 3.44Å; N1213-L1217 PolarHBondContact O-N 3.36Å |
| 1214 | I | 48.8 | Very low | 46.5 | Very low | 32 Ų | 32 | 82.7 Ų | 82.7 | 16% | 0.164 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -76.7 | -40 | -179.1 | -66.3 | 163.3 | 0 | 0 | 0 | 111.3 | F1201 W1204 I1212 Q1216 L1217 L1218 | F1201-I1214 HydrophobicContact CE1-CG2 4.12Å; F1201-I1214 HydrophobicContact CZ-CG2 3.96Å; W1204-I1214 HydrophobicContact CH2-CD1 3.58Å; W1204-I1214 HydrophobicContact CH2-CG1 4.47Å; W1204-I1214 HydrophobicContact CZ2-CD1 4.28Å; W1204-I1214 HydrophobicContact CZ3-CD1 3.79Å; W1204-I1214 HydrophobicContact CZ3-CG2 4.01Å; I1212-I1214 VanDerWaalsContact C-N 3.34Å; I1212-I1214 PolarHBondContact O-N 3.03Å; I1214-Q1216 VanDerWaalsContact C-N 3.29Å; I1214-Q1216 PolarHBondContact O-N 3.1Å; I1214-L1217 PolarHBondContact O-N 3.35Å; I1214-L1218 HydrophobicContact CG2-CD1 4.46Å; I1214-L1218 WeakPolarHBondContact O-CB 3.45Å; I1214-L1218 WeakPolarHBondContact O-CG 3.46Å; I1214-L1218 PolarHBondContact O-N 3.05Å |
| 1215 | V | 47 | Very low | 46.4 | Very low | 91 Ų | 91 | 83.7 Ų | 83.7 | 55% | 0.552 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -63.2 | -39.6 | 173.9 | 174.8 | 0 | 0 | 0 | 0 | 110.4 | G1211 L1218 Y1219 | G1211-V1215 WeakPolarHBondContact O-CG2 3.27Å; G1211-V1215 PolarHBondContact O-N 2.99Å; V1215-L1218 PolarHBondContact O-N 3.29Å; V1215-Y1219 WeakPolarHBondContact O-CB 3.16Å; V1215-Y1219 PolarHBondContact O-N 3.2Å |
| 1216 | Q | 49.8 | Very low | 46.2 | Very low | 119 Ų | 119 | 86.3 Ų | 86.3 | 56% | 0.556 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -69.8 | -36.5 | 176.1 | -141.6 | 166 | 5.9 | 0 | 0 | 112.3 | I1212 I1214 Y1219 T1220 | I1212-Q1216 PolarHBondContact O-N 3.44Å; I1214-Q1216 VanDerWaalsContact C-N 3.29Å; I1214-Q1216 PolarHBondContact O-N 3.1Å; Q1216-Y1219 PolarHBondContact O-N 3.1Å; Q1216-T1220 WeakPolarHBondContact O-CB 3.44Å; Q1216-T1220 VanDerWaalsContact O-CG2 3.3Å; Q1216-T1220 WeakPolarHBondContact O-CG2 3.21Å; Q1216-T1220 PolarHBondContact O-N 3.02Å; Q1216-T1220 PolarHBondContact O-OG1 3.05Å |
| 1217 | L | 47.2 | Very low | 46 | Very low | 71 Ų | 71 | 87 Ų | 87 | 37% | 0.372 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.7 | -38.9 | 171.5 | -115.5 | 135.9 | 0 | 0 | 0 | 112.4 | T1187 N1213 I1214 T1220 S1221 | T1187-L1217 HydrophobicContact CG2-CD2 4.06Å; N1213-L1217 WeakPolarHBondContact O-CB 3.44Å; N1213-L1217 PolarHBondContact O-N 3.36Å; I1214-L1217 PolarHBondContact O-N 3.35Å; L1217-T1220 WeakPolarHBondContact CA-OG1 3.5Å; L1217-T1220 PolarHBondContact O-OG1 3.41Å; L1217-S1221 WeakPolarHBondContact O-CB 3.28Å; L1217-S1221 PolarHBondContact O-N 3.2Å; L1217-S1221 PolarHBondContact O-OG 3.5Å |
| 1218 | L | 47.7 | Very low | 45.6 | Very low | 41 Ų | 41 | 83.2 Ų | 83.2 | 22% | 0.215 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -70.2 | -39.7 | 174.6 | -79 | 174.6 | 0 | 0 | 0 | 112.2 | L1191 F1201 I1214 V1215 S1221 Y1222 | L1191-L1218 HydrophobicContact CD2-CD2 4.08Å; L1191-L1218 HydrophobicContact CG-CD2 4.37Å; F1201-L1218 HydrophobicContact CD1-CD1 4.13Å; F1201-L1218 HydrophobicContact CE1-CD1 3.28Å; F1201-L1218 HydrophobicContact CE1-CG 4.34Å; F1201-L1218 HydrophobicContact CZ-CD1 3.79Å; F1201-L1218 HydrophobicContact CZ-CD2 4.48Å; F1201-L1218 HydrophobicContact CZ-CG 4.41Å; I1214-L1218 HydrophobicContact CG2-CD1 4.46Å; I1214-L1218 WeakPolarHBondContact O-CB 3.45Å; I1214-L1218 WeakPolarHBondContact O-CG 3.46Å; I1214-L1218 PolarHBondContact O-N 3.05Å; V1215-L1218 PolarHBondContact O-N 3.29Å; L1218-S1221 WeakPolarHBondContact CA-OG 3.41Å; L1218-S1221 PolarHBondContact O-N 3.42Å; L1218-S1221 PolarHBondContact O-OG 3.48Å; L1218-Y1222 WeakPolarHBondContact O-CB 3.28Å; L1218-Y1222 PolarHBondContact O-N 2.92Å |
| 1219 | Y | 50.2 | Low | 45.4 | Very low | 151 Ų | 151 | 87.4 Ų | 87.4 | 59% | 0.592 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -66.3 | -44.2 | 177 | -163.7 | -101.6 | 0 | 0 | 0 | 111.5 | V1215 Q1216 Y1222 I1223 | V1215-Y1219 WeakPolarHBondContact O-CB 3.16Å; V1215-Y1219 PolarHBondContact O-N 3.2Å; Q1216-Y1219 PolarHBondContact O-N 3.1Å; Y1219-Y1222 PolarHBondContact O-N 3.43Å; Y1219-I1223 HydrophobicContact CD1-CD1 3.61Å; Y1219-I1223 HydrophobicContact CE1-CD1 3.42Å; Y1219-I1223 VanDerWaalsContact CE1-CD1 3.42Å; Y1219-I1223 HydrophobicContact CE1-CG1 4.43Å; Y1219-I1223 VanDerWaalsContact O-CG1 3.27Å; Y1219-I1223 WeakPolarHBondContact O-CG1 3.48Å; Y1219-I1223 PolarHBondContact O-N 3.14Å |
| 1220 | T | 48.2 | Very low | 45.1 | Very low | 69 Ų | 69 | 86.5 Ų | 86.5 | 42% | 0.423 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.7 | -38.3 | 175.9 | 49.6 | 0 | 0 | 0 | 0 | 112.3 | Q1216 L1217 I1223 L1224 | Q1216-T1220 WeakPolarHBondContact O-CB 3.44Å; Q1216-T1220 VanDerWaalsContact O-CG2 3.3Å; Q1216-T1220 WeakPolarHBondContact O-CG2 3.21Å; Q1216-T1220 PolarHBondContact O-N 3.02Å; Q1216-T1220 PolarHBondContact O-OG1 3.05Å; L1217-T1220 WeakPolarHBondContact CA-OG1 3.5Å; L1217-T1220 PolarHBondContact O-OG1 3.41Å; T1220-I1223 PolarHBondContact O-N 2.94Å; T1220-L1224 WeakPolarHBondContact O-CB 3.31Å; T1220-L1224 WeakPolarHBondContact O-CD1 3.48Å; T1220-L1224 WeakPolarHBondContact O-CG 3.35Å; T1220-L1224 PolarHBondContact O-N 3.35Å |
| 1221 | S | 47.9 | Very low | 44.9 | Very low | 10 Ų | 10 | 84.6 Ų | 84.6 | 7% | 0.07 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -75.5 | -30.4 | 177 | 57.7 | 0 | 0 | 0 | 0 | 113.8 | L1191 L1217 L1218 L1224 L1225 | L1191-S1221 WeakPolarHBondContact CD1-OG 3.47Å; L1217-S1221 WeakPolarHBondContact O-CB 3.28Å; L1217-S1221 PolarHBondContact O-N 3.2Å; L1217-S1221 PolarHBondContact O-OG 3.5Å; L1218-S1221 WeakPolarHBondContact CA-OG 3.41Å; L1218-S1221 PolarHBondContact O-N 3.42Å; L1218-S1221 PolarHBondContact O-OG 3.48Å; S1221-L1224 PolarHBondContact O-N 3.32Å; S1221-L1225 WeakPolarHBondContact O-CB 3.44Å; S1221-L1225 PolarHBondContact O-N 3.11Å |
| 1222 | Y | 51.9 | Low | 44.7 | Very low | 140 Ų | 140 | 90.8 Ų | 90.8 | 55% | 0.549 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.9 | -43.3 | 168.4 | 179.2 | -101 | 0 | 0 | 0 | 111.8 | L1218 Y1219 L1225 N1226 | L1218-Y1222 WeakPolarHBondContact O-CB 3.28Å; L1218-Y1222 PolarHBondContact O-N 2.92Å; Y1219-Y1222 PolarHBondContact O-N 3.43Å; Y1222-L1225 PolarHBondContact O-N 3.45Å; Y1222-N1226 WeakPolarHBondContact CE1-ND2 3.44Å; Y1222-N1226 PolarHBondContact O-N 3.38Å; Y1222-N1226 PolarHBondContact O-ND2 3.13Å |
| 1223 | I | 49.9 | Very low | 44.3 | Very low | 72 Ų | 72 | 91.7 Ų | 91.7 | 37% | 0.369 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 173.8 | -70.2 | 169.4 | 0 | 0 | 0 | 110.8 | Y1219 T1220 N1226 F1227 | Y1219-I1223 HydrophobicContact CD1-CD1 3.61Å; Y1219-I1223 HydrophobicContact CE1-CD1 3.42Å; Y1219-I1223 VanDerWaalsContact CE1-CD1 3.42Å; Y1219-I1223 HydrophobicContact CE1-CG1 4.43Å; Y1219-I1223 VanDerWaalsContact O-CG1 3.27Å; Y1219-I1223 WeakPolarHBondContact O-CG1 3.48Å; Y1219-I1223 PolarHBondContact O-N 3.14Å; T1220-I1223 PolarHBondContact O-N 2.94Å; I1223-N1226 PolarHBondContact O-N 3.02Å; I1223-F1227 HydrophobicContact CG2-CD2 4.11Å; I1223-F1227 HydrophobicContact CG2-CE2 4.48Å; I1223-F1227 WeakPolarHBondContact O-CB 3.13Å; I1223-F1227 PolarHBondContact O-N 3.19Å |
| 1224 | L | 42.8 | Very low | 43.8 | Very low | 124 Ų | 124 | 95 Ų | 95 | 65% | 0.649 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -65.6 | -37.2 | 179 | -79.4 | 162.5 | 0 | 0 | 0 | 112.9 | T1220 S1221 F1227 G1228 | T1220-L1224 WeakPolarHBondContact O-CB 3.31Å; T1220-L1224 WeakPolarHBondContact O-CD1 3.48Å; T1220-L1224 WeakPolarHBondContact O-CG 3.35Å; T1220-L1224 PolarHBondContact O-N 3.35Å; S1221-L1224 PolarHBondContact O-N 3.32Å; L1224-F1227 PolarHBondContact O-N 2.95Å; L1224-G1228 PolarHBondContact O-N 3.04Å |
| 1225 | L | 45.4 | Very low | 43 | Very low | 74 Ų | 74 | 96.8 Ų | 96.8 | 39% | 0.387 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.3 | -41.5 | 175.1 | -91.4 | 168.6 | 0 | 0 | 0 | 112.3 | L1191 S1221 Y1222 F1227 G1228 Q1229 | L1191-L1225 HydrophobicContact CB-CD1 4.28Å; L1191-L1225 HydrophobicContact CD1-CD1 3.37Å; L1191-L1225 HydrophobicContact CD1-CG 4.37Å; L1191-L1225 HydrophobicContact CD2-CD1 4.1Å; L1191-L1225 HydrophobicContact CG-CD1 4.1Å; S1221-L1225 WeakPolarHBondContact O-CB 3.44Å; S1221-L1225 PolarHBondContact O-N 3.11Å; Y1222-L1225 PolarHBondContact O-N 3.45Å; L1225-F1227 VanDerWaalsContact C-N 3.34Å; L1225-G1228 PolarHBondContact O-N 2.75Å; L1225-Q1229 WeakPolarHBondContact O-CG 3.49Å; L1225-Q1229 PolarHBondContact O-N 3.16Å |
| 1226 | N | 45.3 | Very low | 42.2 | Very low | 69 Ų | 69 | 95.7 Ų | 95.7 | 37% | 0.369 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67 | -36.2 | 175.6 | -78.4 | -29.9 | 0 | 0 | 0 | 111.8 | Y1222 I1223 T1230 | Y1222-N1226 WeakPolarHBondContact CE1-ND2 3.44Å; Y1222-N1226 PolarHBondContact O-N 3.38Å; Y1222-N1226 PolarHBondContact O-ND2 3.13Å; I1223-N1226 PolarHBondContact O-N 3.02Å; N1226-T1230 PolarHBondContact O-N 3.22Å; N1226-T1230 PolarHBondContact O-OG1 3.47Å |
| 1227 | F | 40.9 | Very low | 41.4 | Very low | 134 Ų | 134 | 97.8 Ų | 97.8 | 59% | 0.588 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -67.3 | -39.2 | 171.5 | -103.1 | -88 | 0 | 0 | 0 | 112.9 | I1223 L1224 L1225 T1230 I1231 | I1223-F1227 HydrophobicContact CG2-CD2 4.11Å; I1223-F1227 HydrophobicContact CG2-CE2 4.48Å; I1223-F1227 WeakPolarHBondContact O-CB 3.13Å; I1223-F1227 PolarHBondContact O-N 3.19Å; L1224-F1227 PolarHBondContact O-N 2.95Å; L1225-F1227 VanDerWaalsContact C-N 3.34Å; F1227-T1230 WeakPolarHBondContact CA-OG1 3.32Å; F1227-T1230 PolarHBondContact O-N 3.31Å; F1227-T1230 PolarHBondContact O-OG1 3.17Å; F1227-I1231 WeakPolarHBondContact O-CG1 3.42Å; F1227-I1231 PolarHBondContact O-N 3.39Å |
| 1228 | G | 36.8 | Very low | 40.7 | Very low | 29 Ų | 29 | 103.5 Ų | 103.5 | 30% | 0.299 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.5 | -37.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1224 L1225 I1231 F1232 | L1224-G1228 PolarHBondContact O-N 3.04Å; L1225-G1228 PolarHBondContact O-N 2.75Å; G1228-I1231 PolarHBondContact O-N 3.25Å; G1228-F1232 PolarHBondContact O-N 3.43Å |
| 1229 | Q | 40.1 | Very low | 39.8 | Very low | 119 Ų | 119 | 105.9 Ų | 105.9 | 56% | 0.556 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -69.2 | -31.2 | 175.9 | -74.6 | -172.5 | 1.2 | 0 | 0 | 113 | L1225 K1233 | L1225-Q1229 WeakPolarHBondContact O-CG 3.49Å; L1225-Q1229 PolarHBondContact O-N 3.16Å; Q1229-K1233 PolarHBondContact O-N 3.35Å; Q1229-K1233 VanDerWaalsContact O-N 3.17Å |
| 1230 | T | 38.7 | Very low | 38.9 | Very low | 87 Ų | 87 | 106.1 Ų | 106.1 | 53% | 0.534 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.5 | -35.6 | 171 | 39.6 | 0 | 0 | 0 | 0 | 112.5 | N1226 F1227 | N1226-T1230 PolarHBondContact O-N 3.22Å; N1226-T1230 PolarHBondContact O-OG1 3.47Å; F1227-T1230 WeakPolarHBondContact CA-OG1 3.32Å; F1227-T1230 PolarHBondContact O-N 3.31Å; F1227-T1230 PolarHBondContact O-OG1 3.17Å |
| 1231 | I | 37.5 | Very low | 37.9 | Very low | 104 Ų | 104 | 110.1 Ų | 110.1 | 53% | 0.533 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -77.1 | -35 | 179.3 | -64.7 | 169 | 0 | 0 | 0 | 111.7 | F1227 G1228 E1234 S1235 | F1227-I1231 WeakPolarHBondContact O-CG1 3.42Å; F1227-I1231 PolarHBondContact O-N 3.39Å; G1228-I1231 PolarHBondContact O-N 3.25Å; I1231-E1234 PolarHBondContact O-N 3.48Å; I1231-S1235 PolarHBondContact O-N 3.38Å |
| 1232 | F | 33.2 | Very low | 37 | Very low | 150 Ų | 150 | 119 Ų | 119 | 66% | 0.658 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -76.3 | -22.6 | 177.3 | -101.6 | -87.6 | 0 | 0 | 0 | 114.2 | G1228 E1234 S1235 S1236 | G1228-F1232 PolarHBondContact O-N 3.43Å; F1232-E1234 VanDerWaalsContact C-N 3.33Å; F1232-S1235 PolarHBondContact O-OG 3.2Å; F1232-S1236 PolarHBondContact O-N 3.34Å; F1232-S1236 PolarHBondContact O-OG 3.32Å |
| 1233 | K | 36 | Very low | 36.1 | Very low | 158 Ų | 158 | 118.7 Ų | 118.7 | 69% | 0.687 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -73.9 | -22.2 | 169.3 | -84.3 | -177.8 | 174.4 | 177.5 | 0 | 113.1 | Q1229 | Q1229-K1233 PolarHBondContact O-N 3.35Å; Q1229-K1233 VanDerWaalsContact O-N 3.17Å |
| 1234 | E | 34.6 | Very low | 35.4 | Very low | 151 Ų | 151 | 123.8 Ų | 123.8 | 71% | 0.706 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -82.5 | -25 | 173.2 | -76.6 | -174.2 | 154.7 | 0 | 0 | 113.6 | I1231 F1232 | I1231-E1234 PolarHBondContact O-N 3.48Å; F1232-E1234 VanDerWaalsContact C-N 3.33Å |
| 1235 | S | 31 | Very low | 34.8 | Very low | 69 Ų | 69 | 124.2 Ų | 124.2 | 48% | 0.483 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -90 | -24.7 | 179.9 | 60.9 | 0 | 0 | 0 | 0 | 114.2 | I1231 F1232 | I1231-S1235 PolarHBondContact O-N 3.38Å; F1232-S1235 PolarHBondContact O-OG 3.2Å |
| 1236 | S | 31.6 | Very low | 34 | Very low | 69 Ų | 69 | 126.1 Ų | 126.1 | 48% | 0.483 | 64% | 0.641 | S | S | . | * | G | 310 helix | trans | -83.2 | -11.8 | 175.4 | 51.4 | 0 | 0 | 0 | 0 | 114.4 | F1232 K1238 | F1232-S1236 PolarHBondContact O-N 3.34Å; F1232-S1236 PolarHBondContact O-OG 3.32Å; S1236-K1238 VanDerWaalsContact C-N 3.31Å; S1236-K1238 PolarHBondContact O-N 3.22Å |
| 1237 | M | 32.6 | Very low | 33.3 | Very low | 163 Ų | 163 | 130.7 Ų | 130.7 | 80% | 0.803 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -81.8 | 1.5 | 173.7 | -88.6 | -95.4 | -170 | 0 | 0 | 114.2 | ||
| 1238 | K | 31.7 | Very low | 32.8 | Very low | 190 Ų | 190 | 130 Ų | 130 | 83% | 0.826 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -110.7 | 1.1 | -179.8 | -79.2 | -178 | 177.6 | 174.8 | 0 | 115.4 | S1236 | S1236-K1238 VanDerWaalsContact C-N 3.31Å; S1236-K1238 PolarHBondContact O-N 3.22Å |
| 1239 | S | 29.1 | Very low | 32.4 | Very low | 92 Ų | 92 | 137.7 Ų | 137.7 | 64% | 0.643 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -118.1 | 4.2 | -175.6 | 58.5 | 0 | 0 | 0 | 0 | 116.4 | ||
| 1240 | L | 30.8 | Very low | 31.9 | Very low | 156 Ų | 156 | 141 Ų | 141 | 82% | 0.817 | 71% | 0.714 | S | S | * | * | trans | -120.3 | 70.7 | 169.4 | -86.8 | 117.9 | 0 | 0 | 0 | 110.6 | ||||
| 1241 | N | 28.6 | Very low | 31.5 | Very low | 152 Ų | 152 | 145 Ų | 145 | 81% | 0.813 | 73% | 0.728 | S | S | * | * | trans | -131.3 | 82.5 | 163.4 | -98.5 | -23 | 0 | 0 | 0 | 107.7 | ||||
| 1242 | K | 29.5 | Very low | 31.2 | Very low | 196 Ų | 196 | 145.5 Ų | 145.5 | 85% | 0.852 | 73% | 0.731 | S | S | * | * | trans | -167.8 | 131.8 | 155.2 | -105.8 | 164.2 | -174.4 | -176.8 | 0 | 108.8 | ||||
| 1243 | D | 32.6 | Very low | 31.1 | Very low | 135 Ų | 135 | 145.8 Ų | 145.8 | 72% | 0.722 | 74% | 0.739 | S | S | * | * | trans | 94.3 | 84.4 | 167.5 | -54.4 | -31.8 | 0 | 0 | 0 | 119.2 | ||||
| 1244 | K | 33.8 | Very low | 30.8 | Very low | 178 Ų | 178 | 147.3 Ų | 147.3 | 77% | 0.774 | 75% | 0.748 | S | S | * | * | 69.1 | 113.4 | 121.1 | -69.7 | 177.3 | -178.9 | 176.6 | 0 | 121.4 | |||||
| 1245 | N | 31.9 | Very low | 30.6 | Very low | 133 Ų | 133 | 143.7 Ų | 143.7 | 71% | 0.711 | 74% | 0.74 | S | S | * | * | trans | 73.6 | 102 | 132.5 | -61.7 | 9.7 | 0 | 0 | 0 | 117 | ||||
| 1246 | D | 28.3 | Very low | 30.5 | Very low | 115 Ų | 115 | 146.5 Ų | 146.5 | 62% | 0.615 | 75% | 0.749 | S | S | * | * | 92.9 | 93.5 | 84.3 | -87.1 | -27.3 | 0 | 0 | 0 | 109 | |||||
| 1247 | D | 29.3 | Very low | 30.4 | Very low | 164 Ų | 164 | 152.3 Ų | 152.3 | 88% | 0.877 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 171.5 | 37.4 | 149.9 | -86.4 | -14.6 | 0 | 0 | 0 | 113.9 | ||
| 1248 | T | 30.7 | Very low | 30.3 | Very low | 119 Ų | 119 | 148.9 Ų | 148.9 | 73% | 0.73 | 76% | 0.76 | S | S | * | * | trans | -149.7 | 59.8 | 168 | 44.2 | 0 | 0 | 0 | 0 | 112.1 | E1250 | T1248-E1250 VanDerWaalsContact C-N 3.35Š| ||
| 1249 | K | 28.4 | Very low | 30.1 | Very low | 191 Ų | 191 | 146.9 Ų | 146.9 | 83% | 0.83 | 76% | 0.757 | S | S | * | * | trans | -87 | 11.3 | 175.8 | -100.7 | 175.2 | -179 | 159.6 | 0 | 115.1 | ||||
| 1250 | E | 30.4 | Very low | 30 | Very low | 190 Ų | 190 | 152.7 Ų | 152.7 | 89% | 0.888 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -120.7 | 7.2 | -176.3 | -82.5 | -170.7 | 152.1 | 0 | 0 | 116.9 | T1248 | T1248-E1250 VanDerWaalsContact C-N 3.35Š|
| 1251 | M | 30.7 | Very low | 29.9 | Very low | 170 Ų | 170 | 149.7 Ų | 149.7 | 84% | 0.837 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -118.7 | 10.5 | 177 | -70.7 | -162.9 | 81.1 | 0 | 0 | 115.9 | ||
| 1252 | I | 30.4 | Very low | 29.9 | Very low | 115 Ų | 115 | 150.3 Ų | 150.3 | 59% | 0.59 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -96.2 | -1 | -176.2 | -63.6 | 176.6 | 0 | 0 | 0 | 113.6 | ||
| 1253 | N | 31 | Very low | 29.6 | Very low | 155 Ų | 155 | 152.5 Ų | 152.5 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -98.8 | 7.5 | 179.6 | -84.1 | -13.3 | 0 | 0 | 0 | 116.3 | ||
| 1254 | H | 30.4 | Very low | 29.3 | Very low | 190 Ų | 190 | 151 Ų | 151 | 88% | 0.88 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -117.6 | 5 | 179.1 | -92.4 | -61.6 | 0 | 0 | 0 | 116.7 | ||
| 1255 | S | 29.3 | Very low | 28.9 | Very low | 76 Ų | 76 | 147.9 Ų | 147.9 | 53% | 0.531 | 77% | 0.768 | S | S | . | * | S | Bend | trans | -117.9 | 11.4 | 179.8 | 56.5 | 0 | 0 | 0 | 0 | 115.3 | ||
| 1256 | N | 28.6 | Very low | 28.7 | Very low | 128 Ų | 128 | 146.4 Ų | 146.4 | 68% | 0.684 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -104.3 | 13.8 | 178.4 | -84.2 | -29.7 | 0 | 0 | 0 | 114.9 | ||
| 1257 | H | 30.8 | Very low | 28.6 | Very low | 190 Ų | 190 | 147.3 Ų | 147.3 | 88% | 0.88 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -104 | 3.3 | 179.1 | -104.8 | -62.2 | 0 | 0 | 0 | 115.7 | ||
| 1258 | S | 29.4 | Very low | 28.6 | Very low | 91 Ų | 91 | 145.2 Ų | 145.2 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -113.6 | 11.3 | -176.4 | 53.4 | 0 | 0 | 0 | 0 | 115.8 | ||
| 1259 | I | 28.4 | Very low | 28.3 | Very low | 148 Ų | 148 | 150.8 Ų | 150.8 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -117.8 | 9.4 | -177.8 | -59.8 | 177 | 0 | 0 | 0 | 113 | ||
| 1260 | K | 27.5 | Very low | 28.1 | Very low | 214 Ų | 214 | 149.2 Ų | 149.2 | 93% | 0.93 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -110.1 | 16.6 | 177.5 | -85.7 | -175.4 | 177.1 | 177.6 | 0 | 116 | ||
| 1261 | S | 27.8 | Very low | 27.9 | Very low | 93 Ų | 93 | 145.4 Ų | 145.4 | 65% | 0.65 | 78% | 0.776 | S | S | * | * | trans | -113 | 8.4 | -177.1 | 58 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1262 | I | 27.9 | Very low | 27.7 | Very low | 166 Ų | 166 | 146.7 Ų | 146.7 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -108.2 | 30.2 | 179.1 | -48.1 | 175.3 | 0 | 0 | 0 | 112.3 | ||
| 1263 | R | 25 | Very low | 27.5 | Very low | 241 Ų | 241 | 153.6 Ų | 153.6 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -135.6 | 65 | 167.1 | -84.4 | -169 | 178.2 | 171.8 | 1 | 111.1 | ||
| 1264 | S | 24.4 | Very low | 27.3 | Very low | 104 Ų | 104 | 153.6 Ų | 153.6 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | 165.9 | 101.2 | 150.9 | 51.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1265 | S | 26.7 | Very low | 27.2 | Very low | 112 Ų | 112 | 151.6 Ų | 151.6 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | trans | 173.4 | 121.1 | 138 | 39.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1266 | S | 27 | Very low | 27.1 | Very low | 102 Ų | 102 | 155.8 Ų | 155.8 | 71% | 0.713 | 82% | 0.824 | S | S | * | * | trans | 43.8 | 108.9 | 144.1 | 56.6 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1267 | T | 25.9 | Very low | 27 | Very low | 135 Ų | 135 | 157.5 Ų | 157.5 | 83% | 0.828 | 83% | 0.833 | S | S | * | * | trans | -10.5 | 137.2 | 140.4 | 50.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1268 | P | 29.1 | Very low | 26.7 | Very low | 120 Ų | 120 | 155.4 Ų | 155.4 | 78% | 0.779 | 83% | 0.83 | S | S | * | * | trans | -121 | 110.8 | 136.2 | 28.4 | -13.7 | 0 | 0 | 0 | 110.3 | N1270 | P1268-N1270 PolarHBondContact O-N 3.45Å; P1268-N1270 VanDerWaalsContact O-N 3.17Å | ||
| 1269 | R | 25 | Very low | 26.6 | Very low | 236 Ų | 236 | 159.7 Ų | 159.7 | 89% | 0.891 | 84% | 0.843 | S | S | * | * | trans | -56.4 | 107.6 | 145.2 | -77.7 | 173.8 | 170.4 | 166.9 | -4.2 | 106.1 | ||||
| 1270 | N | 23.7 | Very low | 26.4 | Very low | 158 Ų | 158 | 160.6 Ų | 160.6 | 85% | 0.845 | 85% | 0.848 | S | S | * | * | trans | 161.2 | 74.9 | 151.9 | -81.2 | -9.6 | 0 | 0 | 0 | 109.4 | P1268 | P1268-N1270 PolarHBondContact O-N 3.45Å; P1268-N1270 VanDerWaalsContact O-N 3.17Å | ||
| 1271 | S | 27.1 | Very low | 26.3 | Very low | 110 Ų | 110 | 156.5 Ų | 156.5 | 77% | 0.769 | 84% | 0.842 | S | S | * | * | trans | -154.2 | 56.4 | 152.8 | 66.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1272 | Q | 25.8 | Very low | 26.2 | Very low | 197 Ų | 197 | 161.8 Ų | 161.8 | 92% | 0.921 | 86% | 0.858 | S | S | * | * | trans | -100.1 | 82.6 | 142.2 | -86.8 | -175.9 | -24.5 | 0 | 0 | 105.2 | ||||
| 1273 | M | 27.1 | Very low | 26.1 | Very low | 260 Ų | 260 | 161.4 Ų | 161.4 | 100% | 1.281 | 86% | 0.859 | S | S | * | * | trans | -159.4 | 0 | 154.5 | -106 | -158.7 | 142.8 | 0 | 0 | 108.4 |
Retrieved 1,273 of 1,273 residues in 1629.9 ms
(Link to these results)