| 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 | 48 | Very low | 51.9 | Low | 241 Ų | 241 | 143.3 Ų | 143.3 | 100% | 1.187 | 85% | 0.85 | S | S | * | * | 0 | 125.1 | 0 | -70.7 | -163.1 | -140.5 | 0 | 0 | 108 | |||||
| 2 | S | 54.1 | Low | 50.8 | Low | 107 Ų | 107 | 138.4 Ų | 138.4 | 75% | 0.748 | 85% | 0.852 | S | S | * | * | trans | -80.7 | 115.5 | -166.1 | -155.1 | 0 | 0 | 0 | 0 | 111 | F4 | S2-F4 VanDerWaalsContact C-N 3.27Å; S2-F4 PolarHBondContact O-N 3.13Å | ||
| 3 | V | 55.5 | Low | 50 | Low | 146 Ų | 146 | 133.2 Ų | 133.2 | 89% | 0.885 | 84% | 0.843 | S | S | * | * | trans | -92.5 | 60.6 | 168.6 | -74.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 4 | F | 56.4 | Low | 49.6 | Very low | 201 Ų | 201 | 138.3 Ų | 138.3 | 88% | 0.882 | 85% | 0.846 | S | S | * | * | trans | -106.4 | 67.3 | 172.1 | -105.4 | -90.2 | 0 | 0 | 0 | 108.8 | S2 | S2-F4 VanDerWaalsContact C-N 3.27Å; S2-F4 PolarHBondContact O-N 3.13Å | ||
| 5 | G | 52.8 | Low | 49.3 | Very low | 71 Ų | 71 | 136.7 Ų | 136.7 | 73% | 0.732 | 85% | 0.853 | S | S | * | * | trans | -104.2 | 92.8 | 177 | 0 | 0 | 0 | 0 | 0 | 110.4 | L7 | G5-L7 PolarHBondContact O-N 3.24Å; G5-L7 VanDerWaalsContact O-N 3.09Å | ||
| 6 | K | 54 | Low | 49.1 | Very low | 193 Ų | 193 | 132.3 Ų | 132.3 | 84% | 0.839 | 84% | 0.842 | S | S | * | * | trans | -42.2 | 110.2 | 164.8 | -74.9 | 161.7 | 168.2 | 175.3 | 0 | 110.7 | F8 | K6-F8 VanDerWaalsContact C-N 3.34Š| ||
| 7 | L | 57.2 | Low | 49.6 | Very low | 174 Ų | 174 | 136.4 Ų | 136.4 | 91% | 0.911 | 85% | 0.845 | S | S | * | * | trans | -106.3 | 66.3 | 152.5 | -126.9 | 125 | 0 | 0 | 0 | 108.1 | G5 G9 | G5-L7 PolarHBondContact O-N 3.24Å; G5-L7 VanDerWaalsContact O-N 3.09Å; L7-G9 PolarHBondContact O-N 3.05Å | ||
| 8 | F | 58.8 | Low | 50.6 | Low | 199 Ų | 199 | 132.9 Ų | 132.9 | 87% | 0.873 | 84% | 0.84 | S | S | * | * | trans | -71.2 | 72.6 | 164.3 | -143.1 | -95.7 | 0 | 0 | 0 | 106.8 | K6 | K6-F8 VanDerWaalsContact C-N 3.34Š| ||
| 9 | G | 45.9 | Very low | 52.2 | Low | 59 Ų | 59 | 129.3 Ų | 129.3 | 61% | 0.608 | 83% | 0.83 | S | S | * | * | trans | -104.8 | 97.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | L7 G11 | L7-G9 PolarHBondContact O-N 3.05Å; G9-G11 PolarHBondContact O-N 3.43Å | ||
| 10 | A | 47.4 | Very low | 53.9 | Low | 108 Ų | 108 | 127.6 Ų | 127.6 | 89% | 0.893 | 82% | 0.82 | S | S | * | * | trans | -59.1 | 92.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 11 | G | 40.4 | Very low | 55.7 | Low | 77 Ų | 77 | 124.3 Ų | 124.3 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | -95.4 | 70 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | G9 G13 | G9-G11 PolarHBondContact O-N 3.43Å; G11-G13 PolarHBondContact O-N 2.98Å | ||
| 12 | G | 39.7 | Very low | 57.8 | Low | 85 Ų | 85 | 115.3 Ų | 115.3 | 88% | 0.876 | 76% | 0.757 | S | S | * | * | trans | -61.5 | 119.3 | 166 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 13 | G | 39.7 | Very low | 59.7 | Low | 71 Ų | 71 | 115 Ų | 115 | 73% | 0.732 | 74% | 0.744 | S | S | * | * | trans | 164.2 | 40.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | G11 | G11-G13 PolarHBondContact O-N 2.98Š| ||
| 14 | K | 44.1 | Very low | 61.6 | Low | 204 Ų | 204 | 113.2 Ų | 113.2 | 89% | 0.887 | 73% | 0.726 | S | S | * | * | trans | -171.7 | 68.1 | 150.9 | -114.7 | 167.2 | 179.7 | 162.9 | 0 | 112 | G16 | K14-G16 PolarHBondContact O-N 3.28Š| ||
| 15 | A | 44.9 | Very low | 63.4 | Low | 114 Ų | 114 | 104.9 Ų | 104.9 | 94% | 0.942 | 69% | 0.694 | S | S | * | * | trans | -70.7 | 113.8 | 145.3 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 16 | G | 46.9 | Very low | 65.5 | Low | 67 Ų | 67 | 102.2 Ų | 102.2 | 69% | 0.691 | 66% | 0.663 | S | S | * | * | trans | 179 | -6.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | K14 | K14-G16 PolarHBondContact O-N 3.28Š| ||
| 17 | K | 57.3 | Low | 67.6 | Low | 202 Ų | 202 | 97.6 Ų | 97.6 | 88% | 0.878 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -140.9 | 118.4 | 161.6 | -78.8 | -173 | 170.7 | 179 | 0 | 106.6 | ||
| 18 | G | 67.4 | Low | 69.5 | Low | 74 Ų | 74 | 98 Ų | 98 | 76% | 0.763 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 150.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||
| 19 | G | 80.9 | Confident | 71.4 | Confident | 63 Ų | 63 | 89.9 Ų | 89.9 | 65% | 0.649 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -50.3 | 161.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | T21 | G19-T21 PolarHBondContact O-N 2.95Š|
| 20 | P | 86.4 | Confident | 73.8 | Confident | 96 Ų | 96 | 92.3 Ų | 92.3 | 62% | 0.623 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 140 | 179.8 | 24.2 | -33.7 | 0 | 0 | 0 | 110.3 | E24 | P20-E24 WeakPolarHBondContact CA-OE2 3.49Å; P20-E24 HydrophobicContact CB-CB 4.46Å |
| 21 | T | 91.8 | Very high | 76.3 | Confident | 59 Ų | 59 | 91.1 Ų | 91.1 | 36% | 0.362 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -65.8 | 155.6 | 174.7 | 67 | 0 | 0 | 0 | 0 | 109.8 | G19 Q23 E24 A25 | G19-T21 PolarHBondContact O-N 2.95Å; T21-Q23 PolarHBondContact O-N 3.12Å; T21-E24 PolarHBondContact N-OE2 2.91Å; T21-E24 PolarHBondContact O-N 3.05Å; T21-E24 VanDerWaalsContact O-N 3.14Å; T21-E24 WeakPolarHBondContact OG1-CB 3.49Å; T21-E24 WeakPolarHBondContact OG1-CG 3.5Å; T21-E24 PolarHBondContact OG1-N 3.11Å; T21-E24 VanDerWaalsContact OG1-N 3.16Å; T21-A25 PolarHBondContact O-N 3.18Å |
| 22 | P | 92.5 | Very high | 79 | Confident | 51 Ų | 51 | 90 Ų | 90 | 33% | 0.331 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -52.4 | -40.4 | 174.1 | -27.3 | 35.3 | 0 | 0 | 0 | 112.2 | A25 I26 N100 | P22-A25 PolarHBondContact O-N 3.42Å; P22-I26 WeakPolarHBondContact O-CB 3.46Å; P22-I26 WeakPolarHBondContact O-CD1 3.28Å; P22-I26 WeakPolarHBondContact O-CG1 3.06Å; P22-I26 PolarHBondContact O-N 2.89Å; P22-N100 HydrophobicContact CB-CB 4.05Å; P22-N100 WeakPolarHBondContact CB-OD1 3.41Å |
| 23 | Q | 93.7 | Very high | 81.8 | Confident | 100 Ų | 100 | 87 Ų | 87 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.1 | -43.4 | 179 | -64.8 | 73.9 | 17.8 | 0 | 0 | 112.2 | T21 A25 I26 Q27 N100 | T21-Q23 PolarHBondContact O-N 3.12Å; Q23-A25 VanDerWaalsContact C-N 3.34Å; Q23-I26 PolarHBondContact O-N 3.46Å; Q23-Q27 WeakPolarHBondContact O-CB 3.38Å; Q23-Q27 PolarHBondContact O-N 2.85Å; Q23-N100 PolarHBondContact NE2-ND2 2.78Å; Q23-N100 PolarHBondContact NE2-OD1 3.39Å |
| 24 | E | 95.2 | Very high | 84.6 | Confident | 110 Ų | 110 | 88.8 Ų | 88.8 | 51% | 0.514 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.8 | -41.6 | 175.8 | -75.2 | 170.1 | 167.8 | 0 | 0 | 111.8 | P20 T21 Q27 R28 | P20-E24 WeakPolarHBondContact CA-OE2 3.49Å; P20-E24 HydrophobicContact CB-CB 4.46Å; T21-E24 PolarHBondContact N-OE2 2.91Å; T21-E24 PolarHBondContact O-N 3.05Å; T21-E24 VanDerWaalsContact O-N 3.14Å; T21-E24 WeakPolarHBondContact OG1-CB 3.49Å; T21-E24 WeakPolarHBondContact OG1-CG 3.5Å; T21-E24 PolarHBondContact OG1-N 3.11Å; T21-E24 VanDerWaalsContact OG1-N 3.16Å; E24-Q27 PolarHBondContact O-N 3.09Å; E24-R28 WeakPolarHBondContact O-CG 3.46Å; E24-R28 PolarHBondContact O-N 3.36Å |
| 25 | A | 95.4 | Very high | 87.1 | Confident | 25 Ų | 25 | 83.8 Ų | 83.8 | 21% | 0.207 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -68.7 | -42.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T21 P22 Q23 Q27 R28 L29 L96 | T21-A25 PolarHBondContact O-N 3.18Å; P22-A25 PolarHBondContact O-N 3.42Å; Q23-A25 VanDerWaalsContact C-N 3.34Å; A25-Q27 VanDerWaalsContact C-N 3.32Å; A25-Q27 PolarHBondContact O-N 3.32Å; A25-R28 PolarHBondContact O-N 2.93Å; A25-L29 WeakPolarHBondContact O-CG 3.48Å; A25-L29 PolarHBondContact O-N 3.42Å; A25-L96 HydrophobicContact CB-CD2 3.47Å; A25-L96 VanDerWaalsContact CB-CD2 3.47Å |
| 26 | I | 96.5 | Very high | 89.7 | Confident | 16 Ų | 16 | 79.1 Ų | 79.1 | 8% | 0.082 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -57 | -46.6 | 172.9 | -70.3 | 161.6 | 0 | 0 | 0 | 110.3 | P22 Q23 R28 L29 R30 R93 L96 E97 | P22-I26 WeakPolarHBondContact O-CB 3.46Å; P22-I26 WeakPolarHBondContact O-CD1 3.28Å; P22-I26 WeakPolarHBondContact O-CG1 3.06Å; P22-I26 PolarHBondContact O-N 2.89Å; Q23-I26 PolarHBondContact O-N 3.46Å; I26-R28 PolarHBondContact O-N 3.03Å; I26-L29 PolarHBondContact O-N 3.31Å; I26-R30 WeakPolarHBondContact O-CG 3.39Å; I26-R30 PolarHBondContact O-N 2.83Å; I26-R93 HydrophobicContact CG2-CG 4.21Å; I26-L96 HydrophobicContact CD1-CG 4.35Å; I26-L96 HydrophobicContact CG1-CB 4.19Å; I26-L96 HydrophobicContact CG1-CD2 3.65Å; I26-L96 HydrophobicContact CG1-CG 3.88Å; I26-E97 HydrophobicContact CD1-CB 4.47Å; I26-E97 HydrophobicContact CD1-CG 3.66Å; I26-E97 HydrophobicContact CG1-CG 4Å; I26-E97 HydrophobicContact CG2-CG 4.16Å |
| 27 | Q | 96.9 | Very high | 92.1 | Very high | 95 Ų | 95 | 77.9 Ų | 77.9 | 44% | 0.444 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 179.9 | -173.1 | 58.5 | 48.9 | 0 | 0 | 111.8 | Q23 E24 A25 L29 R30 D31 | Q23-Q27 WeakPolarHBondContact O-CB 3.38Å; Q23-Q27 PolarHBondContact O-N 2.85Å; E24-Q27 PolarHBondContact O-N 3.09Å; A25-Q27 VanDerWaalsContact C-N 3.32Å; A25-Q27 PolarHBondContact O-N 3.32Å; Q27-L29 VanDerWaalsContact C-N 3.3Å; Q27-L29 PolarHBondContact O-N 2.98Å; Q27-R30 WeakPolarHBondContact O-CB 3.27Å; Q27-R30 PolarHBondContact O-N 3.29Å; Q27-D31 PolarHBondContact NE2-OD1 3.49Å; Q27-D31 VanDerWaalsContact O-CG 3.22Å; Q27-D31 PolarHBondContact O-N 2.95Å |
| 28 | R | 97.6 | Very high | 94.1 | Very high | 184 Ų | 184 | 73.8 Ų | 73.8 | 69% | 0.694 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -62.9 | -36.3 | 176.4 | -75.7 | -171.9 | 178.4 | -160.5 | 1.4 | 113.2 | E24 A25 I26 T32 | E24-R28 WeakPolarHBondContact O-CG 3.46Å; E24-R28 PolarHBondContact O-N 3.36Å; A25-R28 PolarHBondContact O-N 2.93Å; I26-R28 PolarHBondContact O-N 3.03Å; R28-T32 WeakPolarHBondContact O-CB 3.48Å; R28-T32 PolarHBondContact O-N 3.42Å; R28-T32 PolarHBondContact O-OG1 3.4Å |
| 29 | L | 98.1 | Very high | 95.5 | Very high | 28 Ų | 28 | 75 Ų | 75 | 15% | 0.147 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64 | -46.9 | 174.3 | -68.2 | 167.1 | 0 | 0 | 0 | 109.9 | A25 I26 Q27 D31 T32 E33 I89 Q92 R93 L96 | A25-L29 WeakPolarHBondContact O-CG 3.48Å; A25-L29 PolarHBondContact O-N 3.42Å; I26-L29 PolarHBondContact O-N 3.31Å; Q27-L29 VanDerWaalsContact C-N 3.3Å; Q27-L29 PolarHBondContact O-N 2.98Å; L29-D31 PolarHBondContact O-N 3.49Å; L29-T32 CarbonylContact O-C 3.58Å; L29-T32 WeakPolarHBondContact O-CA 3.38Å; L29-T32 WeakPolarHBondContact O-CB 3.37Å; L29-T32 PolarHBondContact O-N 2.92Å; L29-E33 WeakPolarHBondContact O-CG 3.41Å; L29-E33 PolarHBondContact O-N 3.3Å; L29-I89 HydrophobicContact CB-CG2 4.15Å; L29-I89 HydrophobicContact CD2-CD1 3.91Å; L29-I89 HydrophobicContact CD2-CG2 3.87Å; L29-Q92 HydrophobicContact CD1-CB 4.43Å; L29-R93 HydrophobicContact CB-CB 4.1Å; L29-R93 HydrophobicContact CB-CG 4.4Å; L29-R93 HydrophobicContact CD1-CB 4.07Å; L29-L96 HydrophobicContact CD1-CD2 4.23Å |
| 30 | R | 98 | Very high | 96.4 | Very high | 110 Ų | 110 | 74.2 Ų | 74.2 | 42% | 0.415 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.4 | -44.3 | 175.3 | -69.4 | 177.4 | -179.3 | -178.8 | -0.8 | 113.4 | I26 Q27 T32 E33 E34 R93 E97 | I26-R30 WeakPolarHBondContact O-CG 3.39Å; I26-R30 PolarHBondContact O-N 2.83Å; Q27-R30 WeakPolarHBondContact O-CB 3.27Å; Q27-R30 PolarHBondContact O-N 3.29Å; R30-T32 PolarHBondContact O-N 3.27Å; R30-E33 WeakPolarHBondContact O-CB 3.5Å; R30-E33 PolarHBondContact O-N 2.98Å; R30-E34 PolarHBondContact O-N 2.86Å; R30-R93 VanDerWaalsContact CG-CD 3.43Å; R30-E97 IonicContact CZ-OE1 2.99Å; R30-E97 IonicContact NE-OE1 2.74Å; R30-E97 IonicContact NH2-OE1 2.61Å; R30-E97 PolarHBondContact NH2-OE1 3.44Å |
| 31 | D | 98.3 | Very high | 96.9 | Very high | 82 Ų | 82 | 75.6 Ų | 75.6 | 44% | 0.439 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.2 | -35.9 | 176.7 | -62 | -14.9 | 0 | 0 | 0 | 111.1 | Q27 L29 M35 | Q27-D31 PolarHBondContact NE2-OD1 3.49Å; Q27-D31 VanDerWaalsContact O-CG 3.22Å; Q27-D31 PolarHBondContact O-N 2.95Å; L29-D31 PolarHBondContact O-N 3.49Å; D31-M35 WeakPolarHBondContact O-CB 3.35Å; D31-M35 PolarHBondContact O-N 2.94Å; D31-M35 VanDerWaalsContact O-N 3.12Å |
| 32 | T | 97.8 | Very high | 97.3 | Very high | 53 Ų | 53 | 78.3 Ų | 78.3 | 33% | 0.325 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -71.6 | -42.2 | 176.8 | -56.2 | 0 | 0 | 0 | 0 | 111.4 | R28 L29 R30 M35 L36 | R28-T32 WeakPolarHBondContact O-CB 3.48Å; R28-T32 PolarHBondContact O-N 3.42Å; R28-T32 PolarHBondContact O-OG1 3.4Å; L29-T32 CarbonylContact O-C 3.58Å; L29-T32 WeakPolarHBondContact O-CA 3.38Å; L29-T32 WeakPolarHBondContact O-CB 3.37Å; L29-T32 PolarHBondContact O-N 2.92Å; R30-T32 PolarHBondContact O-N 3.27Å; T32-M35 HydrophobicContact CG2-CE 4.4Å; T32-M35 PolarHBondContact O-N 2.92Å; T32-L36 HydrophobicContact CG2-CD1 4.07Å; T32-L36 HydrophobicContact CG2-CG 4.39Å; T32-L36 WeakPolarHBondContact O-CB 3.36Å; T32-L36 VanDerWaalsContact O-CG 3.3Å; T32-L36 WeakPolarHBondContact O-CG 2.91Å; T32-L36 PolarHBondContact O-N 2.88Å |
| 33 | E | 98 | Very high | 97.6 | Very high | 24 Ų | 24 | 76 Ų | 76 | 11% | 0.112 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -55.8 | -52.3 | 172.3 | -69.8 | 169.1 | -171.4 | 0 | 0 | 110 | L29 R30 M35 L36 S37 L86 I89 E90 R93 | L29-E33 WeakPolarHBondContact O-CG 3.41Å; L29-E33 PolarHBondContact O-N 3.3Å; R30-E33 WeakPolarHBondContact O-CB 3.5Å; R30-E33 PolarHBondContact O-N 2.98Å; E33-M35 VanDerWaalsContact C-N 3.3Å; E33-M35 PolarHBondContact O-N 2.96Å; E33-L36 PolarHBondContact O-N 3.31Å; E33-L36 VanDerWaalsContact O-N 3.09Å; E33-S37 WeakPolarHBondContact O-CB 3.48Å; E33-S37 PolarHBondContact O-N 3.38Å; E33-S37 PolarHBondContact O-OG 3.38Å; E33-L86 HydrophobicContact CB-CD1 3.99Å; E33-L86 HydrophobicContact CG-CD1 4.07Å; E33-I89 HydrophobicContact CG-CB 4.4Å; E33-I89 HydrophobicContact CG-CG2 3.51Å; E33-E90 HydrophobicContact CG-CG 4.22Å; E33-E90 WeakPolarHBondContact OE1-CA 3.34Å; E33-R93 WeakPolarHBondContact OE1-CB 3.37Å; E33-R93 VanDerWaalsContact OE1-CD 3.25Å; E33-R93 WeakPolarHBondContact OE1-CD 3.33Å; E33-R93 IonicContact OE1-NE 2.79Å; E33-R93 PolarHBondContact OE1-NE 2.98Å; E33-R93 IonicContact OE2-NE 3.03Å; E33-R93 PolarHBondContact OE2-NE 3.45Å |
| 34 | E | 98.3 | Very high | 97.8 | Very high | 107 Ų | 107 | 74.9 Ų | 74.9 | 50% | 0.5 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58.4 | -41.8 | 180 | -169.7 | -171.7 | 167.8 | 0 | 0 | 112 | R30 K38 | R30-E34 PolarHBondContact O-N 2.86Å; E34-K38 WeakPolarHBondContact O-CG 3.29Å; E34-K38 PolarHBondContact O-N 2.92Å; E34-K38 VanDerWaalsContact OE1-CE 3.24Å; E34-K38 WeakPolarHBondContact OE1-CE 3.39Å; E34-K38 IonicContact OE1-NZ 2.58Å; E34-K38 PolarHBondContact OE1-NZ 3.33Å |
| 35 | M | 97.9 | Very high | 98 | Very high | 100 Ų | 100 | 76 Ų | 76 | 49% | 0.493 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.2 | -43.6 | 176.5 | -178.5 | -81.6 | -62.1 | 0 | 0 | 112 | D31 T32 E33 K39 | D31-M35 WeakPolarHBondContact O-CB 3.35Å; D31-M35 PolarHBondContact O-N 2.94Å; D31-M35 VanDerWaalsContact O-N 3.12Å; T32-M35 HydrophobicContact CG2-CE 4.4Å; T32-M35 PolarHBondContact O-N 2.92Å; E33-M35 VanDerWaalsContact C-N 3.3Å; E33-M35 PolarHBondContact O-N 2.96Å; M35-K39 WeakPolarHBondContact O-CB 3.49Å; M35-K39 PolarHBondContact O-N 2.98Å; M35-K39 VanDerWaalsContact O-N 3.1Å |
| 36 | L | 98.3 | Very high | 98.1 | Very high | 15 Ų | 15 | 77.5 Ų | 77.5 | 8% | 0.079 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66.8 | -42.6 | 178.3 | -72.4 | 175.1 | 0 | 0 | 0 | 111.3 | T32 E33 K38 K39 Q40 I82 T85 L86 I89 | T32-L36 HydrophobicContact CG2-CD1 4.07Å; T32-L36 HydrophobicContact CG2-CG 4.39Å; T32-L36 WeakPolarHBondContact O-CB 3.36Å; T32-L36 VanDerWaalsContact O-CG 3.3Å; T32-L36 WeakPolarHBondContact O-CG 2.91Å; T32-L36 PolarHBondContact O-N 2.88Å; E33-L36 PolarHBondContact O-N 3.31Å; E33-L36 VanDerWaalsContact O-N 3.09Å; L36-K38 PolarHBondContact O-N 3.21Å; L36-K39 CarbonylContact O-C 3.54Å; L36-K39 WeakPolarHBondContact O-CA 3.34Å; L36-K39 WeakPolarHBondContact O-CB 3.44Å; L36-K39 PolarHBondContact O-N 3.24Å; L36-Q40 PolarHBondContact O-N 3.29Å; L36-I82 HydrophobicContact CB-CG2 4.28Å; L36-I82 HydrophobicContact CD2-CG2 4.28Å; L36-T85 HydrophobicContact CD1-CG2 3.97Å; L36-L86 HydrophobicContact CB-CD1 4.07Å; L36-L86 HydrophobicContact CD1-CB 4.48Å; L36-L86 HydrophobicContact CD1-CD1 4.48Å; L36-I89 HydrophobicContact CD1-CG1 4.38Å |
| 37 | S | 98.2 | Very high | 98.2 | Very high | 41 Ų | 41 | 77.8 Ų | 77.8 | 29% | 0.287 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61 | -45 | 176.3 | -59.1 | 0 | 0 | 0 | 0 | 111.9 | E33 K39 Q40 E41 | E33-S37 WeakPolarHBondContact O-CB 3.48Å; E33-S37 PolarHBondContact O-N 3.38Å; E33-S37 PolarHBondContact O-OG 3.38Å; S37-K39 PolarHBondContact O-N 3.04Å; S37-Q40 VanDerWaalsContact O-CB 3.27Å; S37-Q40 WeakPolarHBondContact O-CB 3.33Å; S37-Q40 PolarHBondContact O-N 2.95Å; S37-Q40 VanDerWaalsContact O-N 3.14Å; S37-E41 WeakPolarHBondContact O-CG 3.31Å; S37-E41 PolarHBondContact O-N 2.79Å |
| 38 | K | 98.5 | Very high | 98.3 | Very high | 117 Ų | 117 | 79.5 Ų | 79.5 | 51% | 0.509 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.9 | -36.7 | 173.1 | -73.9 | 172.9 | -175.4 | 167.8 | 0 | 112.4 | E34 L36 F42 | E34-K38 WeakPolarHBondContact O-CG 3.29Å; E34-K38 PolarHBondContact O-N 2.92Å; E34-K38 VanDerWaalsContact OE1-CE 3.24Å; E34-K38 WeakPolarHBondContact OE1-CE 3.39Å; E34-K38 IonicContact OE1-NZ 2.58Å; E34-K38 PolarHBondContact OE1-NZ 3.33Å; L36-K38 PolarHBondContact O-N 3.21Å; K38-F42 WeakPolarHBondContact O-CB 3.47Å; K38-F42 PolarHBondContact O-N 3.27Å; K38-F42 VanDerWaalsContact O-N 3.08Å |
| 39 | K | 98.1 | Very high | 98.3 | Very high | 99 Ų | 99 | 74.9 Ų | 74.9 | 43% | 0.43 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -72.5 | -34.7 | 177.9 | -165.6 | 176.5 | 175.2 | -172.2 | 0 | 111.8 | M35 L36 S37 F42 L43 I82 | M35-K39 WeakPolarHBondContact O-CB 3.49Å; M35-K39 PolarHBondContact O-N 2.98Å; M35-K39 VanDerWaalsContact O-N 3.1Å; L36-K39 CarbonylContact O-C 3.54Å; L36-K39 WeakPolarHBondContact O-CA 3.34Å; L36-K39 WeakPolarHBondContact O-CB 3.44Å; L36-K39 PolarHBondContact O-N 3.24Å; S37-K39 PolarHBondContact O-N 3.04Å; K39-F42 PolarHBondContact O-N 2.85Å; K39-L43 WeakPolarHBondContact O-CG 3.16Å; K39-L43 PolarHBondContact O-N 2.65Å; K39-I82 HydrophobicContact CB-CD1 4.06Å; K39-I82 HydrophobicContact CD-CD1 3.5Å; K39-I82 HydrophobicContact CG-CD1 3.53Å |
| 40 | Q | 98.3 | Very high | 98.3 | Very high | 46 Ų | 46 | 74.7 Ų | 74.7 | 22% | 0.215 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59 | -56.8 | 172 | -168.2 | -167.9 | -45.4 | 0 | 0 | 110.1 | L36 S37 F42 L43 E44 L79 I82 D83 | L36-Q40 PolarHBondContact O-N 3.29Å; S37-Q40 VanDerWaalsContact O-CB 3.27Å; S37-Q40 WeakPolarHBondContact O-CB 3.33Å; S37-Q40 PolarHBondContact O-N 2.95Å; S37-Q40 VanDerWaalsContact O-N 3.14Å; Q40-F42 VanDerWaalsContact C-N 3.27Å; Q40-F42 PolarHBondContact O-N 2.78Å; Q40-L43 PolarHBondContact O-N 3.33Å; Q40-E44 PolarHBondContact NE2-OE1 3.44Å; Q40-E44 WeakPolarHBondContact O-CG 3.28Å; Q40-E44 PolarHBondContact O-N 3.36Å; Q40-L79 HydrophobicContact CB-CD1 4.21Å; Q40-L79 HydrophobicContact CG-CD1 3.33Å; Q40-I82 HydrophobicContact CB-CG2 4.22Å; Q40-D83 WeakPolarHBondContact CG-OD1 3.42Å |
| 41 | E | 98.6 | Very high | 98.2 | Very high | 125 Ų | 125 | 72.3 Ų | 72.3 | 58% | 0.584 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -55.7 | -41.6 | 177.8 | -69 | 175.9 | -171.7 | 0 | 0 | 112.3 | S37 L43 E44 K45 | S37-E41 WeakPolarHBondContact O-CG 3.31Å; S37-E41 PolarHBondContact O-N 2.79Å; E41-L43 PolarHBondContact O-N 2.72Å; E41-E44 PolarHBondContact O-N 2.83Å; E41-K45 WeakPolarHBondContact O-CB 3.15Å; E41-K45 PolarHBondContact O-N 2.87Å |
| 42 | F | 98.5 | Very high | 98.2 | Very high | 116 Ų | 116 | 72.7 Ų | 72.7 | 51% | 0.509 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.6 | -43.6 | 176.4 | 175.4 | -98.8 | 0 | 0 | 0 | 112.1 | K38 K39 Q40 K46 | K38-F42 WeakPolarHBondContact O-CB 3.47Å; K38-F42 PolarHBondContact O-N 3.27Å; K38-F42 VanDerWaalsContact O-N 3.08Å; K39-F42 PolarHBondContact O-N 2.85Å; Q40-F42 VanDerWaalsContact C-N 3.27Å; Q40-F42 PolarHBondContact O-N 2.78Å; F42-K46 HydrophobicContact CD1-CG 4.31Å; F42-K46 HydrophobicContact CE1-CG 3.9Å; F42-K46 HydrophobicContact CE2-CG 4.41Å; F42-K46 HydrophobicContact CZ-CD 4.28Å; F42-K46 HydrophobicContact CZ-CG 3.97Å; F42-K46 VanDerWaalsContact O-CG 3.31Å; F42-K46 WeakPolarHBondContact O-CG 3.19Å; F42-K46 PolarHBondContact O-N 3.31Å |
| 43 | L | 98.6 | Very high | 98 | Very high | 4 Ų | 4 | 71.5 Ų | 71.5 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -68.9 | -40.2 | 178.2 | -74.4 | 178.8 | 0 | 0 | 0 | 112 | K39 Q40 E41 K45 K46 I47 Y75 Q78 L79 I82 | K39-L43 WeakPolarHBondContact O-CG 3.16Å; K39-L43 PolarHBondContact O-N 2.65Å; Q40-L43 PolarHBondContact O-N 3.33Å; E41-L43 PolarHBondContact O-N 2.72Å; L43-K45 VanDerWaalsContact C-N 3.35Å; L43-K45 PolarHBondContact O-N 3.41Å; L43-K46 CarbonylContact O-C 3.59Å; L43-K46 WeakPolarHBondContact O-CB 3.26Å; L43-K46 PolarHBondContact O-N 2.78Å; L43-K46 VanDerWaalsContact O-N 3.12Å; L43-I47 VanDerWaalsContact O-CG1 3.26Å; L43-I47 WeakPolarHBondContact O-CG1 3.24Å; L43-I47 PolarHBondContact O-N 3.28Å; L43-Y75 HydrophobicContact CD2-CD1 3.74Å; L43-Y75 HydrophobicContact CD2-CG 4.33Å; L43-Q78 HydrophobicContact CD1-CB 3.72Å; L43-Q78 HydrophobicContact CD2-CB 4.47Å; L43-L79 HydrophobicContact CB-CB 4.48Å; L43-L79 HydrophobicContact CB-CD1 4.31Å; L43-L79 HydrophobicContact CD1-CB 4.29Å; L43-I82 HydrophobicContact CD1-CD1 3.54Å |
| 44 | E | 98.7 | Very high | 97.8 | Very high | 76 Ų | 76 | 70.8 Ų | 70.8 | 36% | 0.355 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -56.8 | -49.4 | 173.7 | -71.4 | 172.3 | 178.8 | 0 | 0 | 110.7 | Q40 E41 K46 I47 E48 L79 | Q40-E44 PolarHBondContact NE2-OE1 3.44Å; Q40-E44 WeakPolarHBondContact O-CG 3.28Å; Q40-E44 PolarHBondContact O-N 3.36Å; E41-E44 PolarHBondContact O-N 2.83Å; E44-K46 VanDerWaalsContact C-N 3.3Å; E44-K46 PolarHBondContact O-N 3.15Å; E44-I47 WeakPolarHBondContact O-CB 3.16Å; E44-I47 PolarHBondContact O-N 2.71Å; E44-I47 VanDerWaalsContact O-N 3.09Å; E44-E48 PolarHBondContact O-N 2.75Å; E44-L79 HydrophobicContact CG-CD1 4.13Å; E44-L79 HydrophobicContact CG-CD2 3.93Å |
| 45 | K | 98.7 | Very high | 97.7 | Very high | 132 Ų | 132 | 73.2 Ų | 73.2 | 57% | 0.574 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -59.7 | -38.4 | 174.6 | -172.4 | 173.6 | -174.9 | 170.2 | 0 | 112.6 | E41 L43 E48 Q49 | E41-K45 WeakPolarHBondContact O-CB 3.15Å; E41-K45 PolarHBondContact O-N 2.87Å; L43-K45 VanDerWaalsContact C-N 3.35Å; L43-K45 PolarHBondContact O-N 3.41Å; K45-E48 PolarHBondContact O-N 3.24Å; K45-Q49 VanDerWaalsContact O-CG 3.25Å; K45-Q49 WeakPolarHBondContact O-CG 3.27Å; K45-Q49 PolarHBondContact O-N 3.2Å |
| 46 | K | 98.6 | Very high | 97.5 | Very high | 58 Ų | 58 | 77 Ų | 77 | 25% | 0.252 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.3 | -39.7 | 175.1 | -74.8 | -72.2 | 173.2 | -163.3 | 0 | 112.1 | F42 L43 E44 E48 Q49 E50 Y75 | F42-K46 HydrophobicContact CD1-CG 4.31Å; F42-K46 HydrophobicContact CE1-CG 3.9Å; F42-K46 HydrophobicContact CE2-CG 4.41Å; F42-K46 HydrophobicContact CZ-CD 4.28Å; F42-K46 HydrophobicContact CZ-CG 3.97Å; F42-K46 VanDerWaalsContact O-CG 3.31Å; F42-K46 WeakPolarHBondContact O-CG 3.19Å; F42-K46 PolarHBondContact O-N 3.31Å; L43-K46 CarbonylContact O-C 3.59Å; L43-K46 WeakPolarHBondContact O-CB 3.26Å; L43-K46 PolarHBondContact O-N 2.78Å; L43-K46 VanDerWaalsContact O-N 3.12Å; E44-K46 VanDerWaalsContact C-N 3.3Å; E44-K46 PolarHBondContact O-N 3.15Å; K46-E48 VanDerWaalsContact C-N 3.34Å; K46-Q49 PolarHBondContact O-N 2.8Å; K46-E50 WeakPolarHBondContact O-CG 3.38Å; K46-E50 PolarHBondContact O-N 2.77Å; K46-Y75 HydrophobicContact CB-CD2 3.86Å; K46-Y75 HydrophobicContact CB-CE2 3.94Å; K46-Y75 HydrophobicContact CB-CG 4.23Å |
| 47 | I | 98.6 | Very high | 97.2 | Very high | 22 Ų | 22 | 79.7 Ų | 79.7 | 11% | 0.113 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.1 | -44.9 | 175.9 | -73.3 | 163.4 | 0 | 0 | 0 | 110.2 | L43 E44 E50 L51 K72 E76 L79 | L43-I47 VanDerWaalsContact O-CG1 3.26Å; L43-I47 WeakPolarHBondContact O-CG1 3.24Å; L43-I47 PolarHBondContact O-N 3.28Å; E44-I47 WeakPolarHBondContact O-CB 3.16Å; E44-I47 PolarHBondContact O-N 2.71Å; E44-I47 VanDerWaalsContact O-N 3.09Å; I47-E50 PolarHBondContact O-N 2.9Å; I47-L51 WeakPolarHBondContact O-CB 3.2Å; I47-L51 PolarHBondContact O-N 3.11Å; I47-K72 HydrophobicContact CG2-CD 4.41Å; I47-K72 HydrophobicContact CG2-CG 4.07Å; I47-E76 HydrophobicContact CD1-CB 4.49Å; I47-E76 HydrophobicContact CD1-CG 3.89Å; I47-E76 HydrophobicContact CG1-CG 4.22Å; I47-L79 HydrophobicContact CD1-CB 4.32Å; I47-L79 HydrophobicContact CD1-CD2 3.68Å |
| 48 | E | 98.6 | Very high | 96.5 | Very high | 130 Ų | 130 | 79.2 Ų | 79.2 | 61% | 0.607 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -63.4 | -42.8 | 176.3 | -70.1 | -176 | 167.8 | 0 | 0 | 112.8 | E44 K45 K46 E50 L51 T52 | E44-E48 PolarHBondContact O-N 2.75Å; K45-E48 PolarHBondContact O-N 3.24Å; K46-E48 VanDerWaalsContact C-N 3.34Å; E48-E50 PolarHBondContact O-N 3.43Å; E48-L51 PolarHBondContact O-N 3.38Å; E48-T52 WeakPolarHBondContact O-CB 3.38Å; E48-T52 PolarHBondContact O-N 2.87Å; E48-T52 PolarHBondContact O-OG1 2.81Å |
| 49 | Q | 98.1 | Very high | 96 | Very high | 87 Ų | 87 | 80.1 Ų | 80.1 | 41% | 0.407 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59 | -47.5 | 175.6 | -75.8 | 173.5 | 3.3 | 0 | 0 | 111.3 | K45 K46 T52 A53 | K45-Q49 VanDerWaalsContact O-CG 3.25Å; K45-Q49 WeakPolarHBondContact O-CG 3.27Å; K45-Q49 PolarHBondContact O-N 3.2Å; K46-Q49 PolarHBondContact O-N 2.8Å; Q49-T52 PolarHBondContact O-N 2.78Å; Q49-A53 WeakPolarHBondContact O-CB 3.33Å; Q49-A53 PolarHBondContact O-N 3.46Å |
| 50 | E | 96.8 | Very high | 95.5 | Very high | 24 Ų | 24 | 85.2 Ų | 85.2 | 11% | 0.112 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -69.2 | -34.4 | 179.1 | -66 | -61.7 | 172.3 | 0 | 0 | 112.4 | K46 I47 E48 A53 A54 A68 R71 K72 Y75 | K46-E50 WeakPolarHBondContact O-CG 3.38Å; K46-E50 PolarHBondContact O-N 2.77Å; I47-E50 PolarHBondContact O-N 2.9Å; E48-E50 PolarHBondContact O-N 3.43Å; E50-A53 PolarHBondContact O-N 2.9Å; E50-A54 WeakPolarHBondContact O-CB 3.37Å; E50-A54 PolarHBondContact O-N 3.31Å; E50-A68 WeakPolarHBondContact OE2-CA 3.41Å; E50-A68 WeakPolarHBondContact OE2-CB 3.38Å; E50-R71 HydrophobicContact CG-CB 4.04Å; E50-R71 IonicContact OE1-CZ 3.71Å; E50-R71 IonicContact OE1-NE 2.82Å; E50-R71 PolarHBondContact OE1-NE 2.89Å; E50-R71 IonicContact OE1-NH2 3.72Å; E50-R71 IonicContact OE2-CZ 3.34Å; E50-R71 IonicContact OE2-NE 3.06Å; E50-R71 PolarHBondContact OE2-NE 3.47Å; E50-R71 IonicContact OE2-NH2 2.78Å; E50-R71 PolarHBondContact OE2-NH2 2.92Å; E50-K72 HydrophobicContact CB-CB 3.91Å; E50-Y75 HydrophobicContact CG-CD2 4.08Å; E50-Y75 HydrophobicContact CG-CE2 3.82Å |
| 51 | L | 96.9 | Very high | 95.3 | Very high | 60 Ų | 60 | 86.6 Ų | 86.6 | 31% | 0.314 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.9 | -43.5 | 173.5 | -176.6 | 60.3 | 0 | 0 | 0 | 111.2 | I47 E48 A54 K55 K72 | I47-L51 WeakPolarHBondContact O-CB 3.2Å; I47-L51 PolarHBondContact O-N 3.11Å; E48-L51 PolarHBondContact O-N 3.38Å; L51-A54 PolarHBondContact O-N 2.88Å; L51-K55 HydrophobicContact CG-CD 4.5Å; L51-K55 WeakPolarHBondContact O-CG 3.19Å; L51-K55 PolarHBondContact O-N 3.41Å; L51-K72 HydrophobicContact CB-CD 4.11Å; L51-K72 HydrophobicContact CD1-CD 4.23Å |
| 52 | T | 97.5 | Very high | 94.9 | Very high | 91 Ų | 91 | 87.6 Ų | 87.6 | 56% | 0.558 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -64.4 | -43 | 176.4 | -58.9 | 0 | 0 | 0 | 0 | 111.1 | E48 Q49 A54 K55 K56 | E48-T52 WeakPolarHBondContact O-CB 3.38Å; E48-T52 PolarHBondContact O-N 2.87Å; E48-T52 PolarHBondContact O-OG1 2.81Å; Q49-T52 PolarHBondContact O-N 2.78Å; T52-A54 PolarHBondContact O-N 3.42Å; T52-K55 PolarHBondContact O-N 3.04Å; T52-K56 WeakPolarHBondContact O-CB 3.36Å; T52-K56 PolarHBondContact O-N 3.45Å |
| 53 | A | 94.1 | Very high | 94.5 | Very high | 28 Ų | 28 | 91.3 Ų | 91.3 | 23% | 0.231 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -61.5 | -42.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q49 E50 K56 H57 A68 | Q49-A53 WeakPolarHBondContact O-CB 3.33Å; Q49-A53 PolarHBondContact O-N 3.46Å; E50-A53 PolarHBondContact O-N 2.9Å; A53-K56 PolarHBondContact O-N 2.82Å; A53-H57 PolarHBondContact O-CD2 2.92Å; A53-H57 PolarHBondContact O-N 3.31Å; A53-A68 HydrophobicContact CB-CB 4.19Å |
| 54 | A | 93.7 | Very high | 94.2 | Very high | 9 Ų | 9 | 92 Ų | 92 | 7% | 0.074 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -62 | -45.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E50 L51 T52 H57 G58 A68 L69 | E50-A54 WeakPolarHBondContact O-CB 3.37Å; E50-A54 PolarHBondContact O-N 3.31Å; L51-A54 PolarHBondContact O-N 2.88Å; T52-A54 PolarHBondContact O-N 3.42Å; A54-H57 PolarHBondContact O-N 2.99Å; A54-G58 PolarHBondContact O-N 3.44Å; A54-A68 HydrophobicContact CB-CB 4.04Å; A54-L69 HydrophobicContact CB-CD2 3.81Å; A54-L69 HydrophobicContact CB-CG 3.92Å |
| 55 | K | 95.7 | Very high | 93.8 | Very high | 157 Ų | 157 | 89 Ų | 89 | 68% | 0.683 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -61.9 | -43 | 175.8 | -72.4 | 175.4 | -179.7 | 179.8 | 0 | 111.9 | L51 T52 H57 G58 | L51-K55 HydrophobicContact CG-CD 4.5Å; L51-K55 WeakPolarHBondContact O-CG 3.19Å; L51-K55 PolarHBondContact O-N 3.41Å; T52-K55 PolarHBondContact O-N 3.04Å; K55-H57 PolarHBondContact O-N 3.44Å; K55-G58 PolarHBondContact O-N 2.8Å |
| 56 | K | 94.7 | Very high | 93.5 | Very high | 181 Ų | 181 | 87.4 Ų | 87.4 | 79% | 0.787 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -62.2 | -41.7 | 178.6 | -177 | 177.9 | 179.2 | 177.8 | 0 | 112.5 | T52 A53 | T52-K56 WeakPolarHBondContact O-CB 3.36Å; T52-K56 PolarHBondContact O-N 3.45Å; A53-K56 PolarHBondContact O-N 2.82Å |
| 57 | H | 91 | Very high | 93.3 | Very high | 70 Ų | 70 | 89.4 Ų | 89.4 | 32% | 0.324 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -75.9 | -36 | 177.9 | -72.1 | -55.2 | 0 | 0 | 0 | 112.9 | A53 A54 K55 K60 N61 A64 A65 | A53-H57 PolarHBondContact O-CD2 2.92Å; A53-H57 PolarHBondContact O-N 3.31Å; A54-H57 PolarHBondContact O-N 2.99Å; K55-H57 PolarHBondContact O-N 3.44Å; H57-K60 PolarHBondContact O-N 3.24Å; H57-N61 HydrophobicContact CB-CB 4.31Å; H57-N61 PolarHBondContact O-N 2.82Å; H57-A64 HydrophobicContact CB-CB 4.25Å; H57-A65 HydrophobicContact CB-CB 3.94Å |
| 58 | G | 85.4 | Confident | 93 | Very high | 31 Ų | 31 | 88.3 Ų | 88.3 | 32% | 0.32 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | -144.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | A54 K55 A65 | A54-G58 PolarHBondContact O-N 3.44Å; K55-G58 PolarHBondContact O-N 2.8Å; G58-A65 WeakPolarHBondContact O-CB 3.45Å |
| 59 | T | 86.4 | Confident | 92.9 | Very high | 136 Ų | 136 | 85.8 Ų | 85.8 | 83% | 0.834 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -22.7 | 174.9 | 53.1 | 0 | 0 | 0 | 0 | 113 | N61 | T59-N61 VanDerWaalsContact C-N 3.27Å; T59-N61 PolarHBondContact O-N 2.85Å |
| 60 | K | 88.6 | Confident | 92.9 | Very high | 207 Ų | 207 | 88 Ų | 88 | 90% | 0.9 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -35.5 | 179.8 | -63 | -176.2 | -179 | -178.7 | 0 | 112.4 | H57 | H57-K60 PolarHBondContact O-N 3.24Š|
| 61 | N | 93.1 | Very high | 92.9 | Very high | 74 Ų | 74 | 91.3 Ų | 91.3 | 40% | 0.396 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.9 | 74 | 172.1 | -169.7 | -18.2 | 0 | 0 | 0 | 110.7 | H57 T59 R63 A64 A65 | H57-N61 HydrophobicContact CB-CB 4.31Å; H57-N61 PolarHBondContact O-N 2.82Å; T59-N61 VanDerWaalsContact C-N 3.27Å; T59-N61 PolarHBondContact O-N 2.85Å; N61-R63 VanDerWaalsContact C-N 3.26Å; N61-R63 PolarHBondContact O-N 3.33Å; N61-A64 HydrophobicContact CB-CB 4.3Å; N61-A64 PolarHBondContact O-N 3.36Å; N61-A64 WeakPolarHBondContact OD1-CB 3.47Å; N61-A64 PolarHBondContact OD1-N 3.07Å; N61-A64 VanDerWaalsContact OD1-N 3.16Å; N61-A65 PolarHBondContact O-N 3.05Å |
| 62 | K | 90.1 | Very high | 93 | Very high | 147 Ų | 147 | 90.1 Ų | 90.1 | 64% | 0.639 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -54.3 | -38.8 | -177.7 | -171.2 | 176.4 | -178 | 178.6 | 0 | 113 | A65 L66 | K62-A65 PolarHBondContact O-N 2.82Å; K62-L66 HydrophobicContact CG-CD1 4Å; K62-L66 HydrophobicContact CG-CG 4.3Å; K62-L66 WeakPolarHBondContact O-CB 3.37Å; K62-L66 VanDerWaalsContact O-CG 3.25Å; K62-L66 WeakPolarHBondContact O-CG 3.44Å; K62-L66 PolarHBondContact O-N 2.78Å |
| 63 | R | 91.4 | Very high | 93 | Very high | 194 Ų | 194 | 92.3 Ų | 92.3 | 73% | 0.732 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -63.4 | -47.1 | -179.6 | -169.4 | 178.5 | 75.9 | 153.8 | 1.9 | 111.6 | N61 L66 Q67 | N61-R63 VanDerWaalsContact C-N 3.26Å; N61-R63 PolarHBondContact O-N 3.33Å; R63-L66 PolarHBondContact O-N 2.82Å; R63-Q67 WeakPolarHBondContact O-CG 3.23Å; R63-Q67 PolarHBondContact O-N 2.98Å; R63-Q67 VanDerWaalsContact O-N 3.12Å |
| 64 | A | 91.4 | Very high | 93.2 | Very high | 19 Ų | 19 | 98.2 Ų | 98.2 | 16% | 0.157 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -66.5 | -42.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | H57 N61 L66 Q67 A68 | H57-A64 HydrophobicContact CB-CB 4.25Å; N61-A64 HydrophobicContact CB-CB 4.3Å; N61-A64 PolarHBondContact O-N 3.36Å; N61-A64 WeakPolarHBondContact OD1-CB 3.47Å; N61-A64 PolarHBondContact OD1-N 3.07Å; N61-A64 VanDerWaalsContact OD1-N 3.16Å; A64-L66 PolarHBondContact O-N 3.16Å; A64-Q67 PolarHBondContact O-N 3.16Å; A64-A68 PolarHBondContact O-N 3.07Å |
| 65 | A | 90.3 | Very high | 93.5 | Very high | 11 Ų | 11 | 100.4 Ų | 100.4 | 9% | 0.091 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -59.5 | -45.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | H57 G58 N61 K62 Q67 A68 L69 | H57-A65 HydrophobicContact CB-CB 3.94Å; G58-A65 WeakPolarHBondContact O-CB 3.45Å; N61-A65 PolarHBondContact O-N 3.05Å; K62-A65 PolarHBondContact O-N 2.82Å; A65-Q67 PolarHBondContact O-N 2.89Å; A65-A68 PolarHBondContact O-N 3.36Å; A65-L69 WeakPolarHBondContact O-CG 3.16Å; A65-L69 PolarHBondContact O-N 2.94Å |
| 66 | L | 93.5 | Very high | 93.6 | Very high | 99 Ų | 99 | 95.5 Ų | 95.5 | 52% | 0.518 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.4 | -38.8 | 177.3 | -73.9 | 173.4 | 0 | 0 | 0 | 112.8 | K62 R63 A64 L69 K70 | K62-L66 HydrophobicContact CG-CD1 4Å; K62-L66 HydrophobicContact CG-CG 4.3Å; K62-L66 WeakPolarHBondContact O-CB 3.37Å; K62-L66 VanDerWaalsContact O-CG 3.25Å; K62-L66 WeakPolarHBondContact O-CG 3.44Å; K62-L66 PolarHBondContact O-N 2.78Å; R63-L66 PolarHBondContact O-N 2.82Å; A64-L66 PolarHBondContact O-N 3.16Å; L66-L69 PolarHBondContact O-N 3.46Å; L66-K70 WeakPolarHBondContact O-CB 3.49Å; L66-K70 PolarHBondContact O-N 3.46Å |
| 67 | Q | 93.7 | Very high | 93.8 | Very high | 100 Ų | 100 | 93.8 Ų | 93.8 | 47% | 0.467 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.8 | -41.4 | 175.9 | -74.1 | -176 | 1.3 | 0 | 0 | 112.1 | R63 A64 A65 K70 R71 | R63-Q67 WeakPolarHBondContact O-CG 3.23Å; R63-Q67 PolarHBondContact O-N 2.98Å; R63-Q67 VanDerWaalsContact O-N 3.12Å; A64-Q67 PolarHBondContact O-N 3.16Å; A65-Q67 PolarHBondContact O-N 2.89Å; Q67-K70 PolarHBondContact O-N 3.32Å; Q67-R71 PolarHBondContact O-N 3.14Å |
| 68 | A | 93.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 94.4 Ų | 94.4 | 0% | 0 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -61.4 | -46 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | E50 A53 A54 A64 A65 K70 R71 K72 | E50-A68 WeakPolarHBondContact OE2-CA 3.41Å; E50-A68 WeakPolarHBondContact OE2-CB 3.38Å; A53-A68 HydrophobicContact CB-CB 4.19Å; A54-A68 HydrophobicContact CB-CB 4.04Å; A64-A68 PolarHBondContact O-N 3.07Å; A65-A68 PolarHBondContact O-N 3.36Å; A68-K70 VanDerWaalsContact C-N 3.31Å; A68-K70 PolarHBondContact O-N 3.28Å; A68-R71 PolarHBondContact O-N 3.37Å; A68-R71 VanDerWaalsContact O-N 3.16Å; A68-K72 PolarHBondContact O-N 3.15Å |
| 69 | L | 96.6 | Very high | 94.7 | Very high | 76 Ų | 76 | 94.1 Ų | 94.1 | 40% | 0.398 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61 | -37 | 175 | -68.7 | 175.9 | 0 | 0 | 0 | 112.9 | A54 A65 L66 K72 K73 | A54-L69 HydrophobicContact CB-CD2 3.81Å; A54-L69 HydrophobicContact CB-CG 3.92Å; A65-L69 WeakPolarHBondContact O-CG 3.16Å; A65-L69 PolarHBondContact O-N 2.94Å; L66-L69 PolarHBondContact O-N 3.46Å; L69-K72 WeakPolarHBondContact O-CB 3.48Å; L69-K72 PolarHBondContact O-N 3.22Å; L69-K73 WeakPolarHBondContact O-CB 3.44Å; L69-K73 WeakPolarHBondContact O-CG 3.49Å; L69-K73 PolarHBondContact O-N 3.36Å |
| 70 | K | 96.8 | Very high | 95.3 | Very high | 134 Ų | 134 | 90.7 Ų | 90.7 | 58% | 0.583 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -66 | -39 | 175.6 | -170.5 | 174.9 | -177 | 175.1 | 0 | 111.9 | L66 Q67 A68 R74 | L66-K70 WeakPolarHBondContact O-CB 3.49Å; L66-K70 PolarHBondContact O-N 3.46Å; Q67-K70 PolarHBondContact O-N 3.32Å; A68-K70 VanDerWaalsContact C-N 3.31Å; A68-K70 PolarHBondContact O-N 3.28Å; K70-R74 WeakPolarHBondContact O-CG 3.41Å; K70-R74 PolarHBondContact O-N 3.48Å |
| 71 | R | 97.6 | Very high | 95.8 | Very high | 94 Ų | 94 | 86.5 Ų | 86.5 | 36% | 0.355 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66.7 | -46.2 | 173.3 | -71.1 | -170.5 | -60.9 | -89.3 | -6 | 111.2 | E50 Q67 A68 K73 R74 Y75 | E50-R71 HydrophobicContact CG-CB 4.04Å; E50-R71 IonicContact OE1-CZ 3.71Å; E50-R71 IonicContact OE1-NE 2.82Å; E50-R71 PolarHBondContact OE1-NE 2.89Å; E50-R71 IonicContact OE1-NH2 3.72Å; E50-R71 IonicContact OE2-CZ 3.34Å; E50-R71 IonicContact OE2-NE 3.06Å; E50-R71 PolarHBondContact OE2-NE 3.47Å; E50-R71 IonicContact OE2-NH2 2.78Å; E50-R71 PolarHBondContact OE2-NH2 2.92Å; Q67-R71 PolarHBondContact O-N 3.14Å; A68-R71 PolarHBondContact O-N 3.37Å; A68-R71 VanDerWaalsContact O-N 3.16Å; R71-K73 VanDerWaalsContact C-N 3.33Å; R71-K73 PolarHBondContact O-N 2.9Å; R71-R74 WeakPolarHBondContact O-CB 3.19Å; R71-R74 PolarHBondContact O-N 3.23Å; R71-Y75 HydrophobicContact CB-CE2 4.16Å; R71-Y75 VanDerWaalsContact O-CD2 3.3Å; R71-Y75 WeakPolarHBondContact O-CD2 3.35Å; R71-Y75 PolarHBondContact O-N 3.47Å |
| 72 | K | 98.2 | Very high | 96 | Very high | 35 Ų | 35 | 83.5 Ų | 83.5 | 15% | 0.152 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -50 | -52.3 | 172.7 | -180 | 173.8 | -175.6 | -79.5 | 0 | 111.6 | I47 E50 L51 A68 L69 R74 Y75 E76 | I47-K72 HydrophobicContact CG2-CD 4.41Å; I47-K72 HydrophobicContact CG2-CG 4.07Å; E50-K72 HydrophobicContact CB-CB 3.91Å; L51-K72 HydrophobicContact CB-CD 4.11Å; L51-K72 HydrophobicContact CD1-CD 4.23Å; A68-K72 PolarHBondContact O-N 3.15Å; L69-K72 WeakPolarHBondContact O-CB 3.48Å; L69-K72 PolarHBondContact O-N 3.22Å; K72-R74 VanDerWaalsContact C-N 3.27Å; K72-R74 PolarHBondContact O-N 3.31Å; K72-Y75 PolarHBondContact O-N 3.03Å; K72-Y75 VanDerWaalsContact O-N 3.1Å; K72-E76 HydrophobicContact CG-CG 4.46Å; K72-E76 IonicContact NZ-OE1 2.76Å; K72-E76 PolarHBondContact NZ-OE1 3.09Å; K72-E76 WeakPolarHBondContact O-CG 3.19Å; K72-E76 PolarHBondContact O-N 3.33Å |
| 73 | K | 98.2 | Very high | 96.4 | Very high | 136 Ų | 136 | 79.4 Ų | 79.4 | 59% | 0.591 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -60.3 | -33.5 | 178.9 | -76.4 | -78.5 | 162.6 | -147.6 | 0 | 113.5 | L69 R71 E76 K77 | L69-K73 WeakPolarHBondContact O-CB 3.44Å; L69-K73 WeakPolarHBondContact O-CG 3.49Å; L69-K73 PolarHBondContact O-N 3.36Å; R71-K73 VanDerWaalsContact C-N 3.33Å; R71-K73 PolarHBondContact O-N 2.9Å; K73-E76 VanDerWaalsContact CD-OE2 3.25Å; K73-E76 WeakPolarHBondContact CD-OE2 3.47Å; K73-E76 VanDerWaalsContact CE-OE2 3.29Å; K73-E76 WeakPolarHBondContact CE-OE2 3.24Å; K73-E76 IonicContact NZ-OE2 3.58Å; K73-E76 PolarHBondContact NZ-OE2 3.19Å; K73-K77 PolarHBondContact O-N 2.77Å |
| 74 | R | 98.4 | Very high | 96.7 | Very high | 153 Ų | 153 | 72 Ų | 72 | 58% | 0.577 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -69.4 | -42.4 | 174.3 | -72.1 | 173.3 | 176.3 | -158.9 | -4.1 | 111.6 | K70 R71 K72 K77 Q78 | K70-R74 WeakPolarHBondContact O-CG 3.41Å; K70-R74 PolarHBondContact O-N 3.48Å; R71-R74 WeakPolarHBondContact O-CB 3.19Å; R71-R74 PolarHBondContact O-N 3.23Å; K72-R74 VanDerWaalsContact C-N 3.27Å; K72-R74 PolarHBondContact O-N 3.31Å; R74-K77 PolarHBondContact O-N 3.38Å; R74-Q78 WeakPolarHBondContact O-CG 3.38Å; R74-Q78 PolarHBondContact O-N 2.88Å; R74-Q78 VanDerWaalsContact O-N 3.12Å |
| 75 | Y | 98.6 | Very high | 97 | Very high | 55 Ų | 55 | 74.3 Ų | 74.3 | 22% | 0.216 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.9 | -41.6 | 176 | -62.1 | -45.3 | 0 | 0 | 0 | 111.8 | L43 K46 E50 R71 K72 K77 Q78 L79 | L43-Y75 HydrophobicContact CD2-CD1 3.74Å; L43-Y75 HydrophobicContact CD2-CG 4.33Å; K46-Y75 HydrophobicContact CB-CD2 3.86Å; K46-Y75 HydrophobicContact CB-CE2 3.94Å; K46-Y75 HydrophobicContact CB-CG 4.23Å; E50-Y75 HydrophobicContact CG-CD2 4.08Å; E50-Y75 HydrophobicContact CG-CE2 3.82Å; R71-Y75 HydrophobicContact CB-CE2 4.16Å; R71-Y75 VanDerWaalsContact O-CD2 3.3Å; R71-Y75 WeakPolarHBondContact O-CD2 3.35Å; R71-Y75 PolarHBondContact O-N 3.47Å; K72-Y75 PolarHBondContact O-N 3.03Å; K72-Y75 VanDerWaalsContact O-N 3.1Å; Y75-K77 VanDerWaalsContact C-N 3.29Å; Y75-K77 PolarHBondContact O-N 3.07Å; Y75-Q78 PolarHBondContact O-N 3.24Å; Y75-Q78 VanDerWaalsContact O-N 3.12Å; Y75-L79 WeakPolarHBondContact O-CB 3.49Å; Y75-L79 PolarHBondContact O-N 3.36Å |
| 76 | E | 98.5 | Very high | 97.4 | Very high | 53 Ų | 53 | 74.3 Ų | 74.3 | 25% | 0.248 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -57.5 | -41.4 | 173.5 | -72.2 | 176 | 162.9 | 0 | 0 | 112.3 | I47 K72 K73 L79 A80 | I47-E76 HydrophobicContact CD1-CB 4.49Å; I47-E76 HydrophobicContact CD1-CG 3.89Å; I47-E76 HydrophobicContact CG1-CG 4.22Å; K72-E76 HydrophobicContact CG-CG 4.46Å; K72-E76 IonicContact NZ-OE1 2.76Å; K72-E76 PolarHBondContact NZ-OE1 3.09Å; K72-E76 WeakPolarHBondContact O-CG 3.19Å; K72-E76 PolarHBondContact O-N 3.33Å; K73-E76 VanDerWaalsContact CD-OE2 3.25Å; K73-E76 WeakPolarHBondContact CD-OE2 3.47Å; K73-E76 VanDerWaalsContact CE-OE2 3.29Å; K73-E76 WeakPolarHBondContact CE-OE2 3.24Å; K73-E76 IonicContact NZ-OE2 3.58Å; K73-E76 PolarHBondContact NZ-OE2 3.19Å; E76-L79 PolarHBondContact O-N 3.03Å; E76-A80 PolarHBondContact O-N 3.15Å |
| 77 | K | 98.4 | Very high | 97.6 | Very high | 146 Ų | 146 | 72.9 Ų | 72.9 | 64% | 0.635 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -64.7 | -41.2 | 176.5 | -174.1 | 179.3 | 179.1 | 179.7 | 0 | 111.7 | K73 R74 Y75 L79 Q81 | K73-K77 PolarHBondContact O-N 2.77Å; R74-K77 PolarHBondContact O-N 3.38Å; Y75-K77 VanDerWaalsContact C-N 3.29Å; Y75-K77 PolarHBondContact O-N 3.07Å; K77-L79 VanDerWaalsContact C-N 3.34Å; K77-Q81 WeakPolarHBondContact O-CG 3.42Å; K77-Q81 PolarHBondContact O-N 3.47Å |
| 78 | Q | 98.1 | Very high | 97.8 | Very high | 83 Ų | 83 | 71.7 Ų | 71.7 | 39% | 0.388 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.9 | -38.8 | 176.7 | -70.3 | 175.7 | 28.3 | 0 | 0 | 111.4 | L43 R74 Y75 Q81 I82 | L43-Q78 HydrophobicContact CD1-CB 3.72Å; L43-Q78 HydrophobicContact CD2-CB 4.47Å; R74-Q78 WeakPolarHBondContact O-CG 3.38Å; R74-Q78 PolarHBondContact O-N 2.88Å; R74-Q78 VanDerWaalsContact O-N 3.12Å; Y75-Q78 PolarHBondContact O-N 3.24Å; Y75-Q78 VanDerWaalsContact O-N 3.12Å; Q78-Q81 PolarHBondContact O-N 3.26Å; Q78-I82 WeakPolarHBondContact O-CG1 3.45Å; Q78-I82 PolarHBondContact O-N 3.36Å |
| 79 | L | 98.6 | Very high | 98 | Very high | 24 Ų | 24 | 72.9 Ų | 72.9 | 13% | 0.126 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.8 | -53.6 | 177.1 | -179 | 62.4 | 0 | 0 | 0 | 110.3 | Q40 L43 E44 I47 Y75 E76 K77 Q81 I82 D83 | Q40-L79 HydrophobicContact CB-CD1 4.21Å; Q40-L79 HydrophobicContact CG-CD1 3.33Å; L43-L79 HydrophobicContact CB-CB 4.48Å; L43-L79 HydrophobicContact CB-CD1 4.31Å; L43-L79 HydrophobicContact CD1-CB 4.29Å; E44-L79 HydrophobicContact CG-CD1 4.13Å; E44-L79 HydrophobicContact CG-CD2 3.93Å; I47-L79 HydrophobicContact CD1-CB 4.32Å; I47-L79 HydrophobicContact CD1-CD2 3.68Å; Y75-L79 WeakPolarHBondContact O-CB 3.49Å; Y75-L79 PolarHBondContact O-N 3.36Å; E76-L79 PolarHBondContact O-N 3.03Å; K77-L79 VanDerWaalsContact C-N 3.34Å; L79-Q81 PolarHBondContact O-N 3.37Å; L79-Q81 VanDerWaalsContact O-N 3.12Å; L79-I82 CarbonylContact O-C 3.53Å; L79-I82 WeakPolarHBondContact O-CA 3.44Å; L79-I82 WeakPolarHBondContact O-CB 3.36Å; L79-I82 PolarHBondContact O-N 3.43Å; L79-D83 VanDerWaalsContact O-CG 3.23Å; L79-D83 PolarHBondContact O-N 3.02Å |
| 80 | A | 98.5 | Very high | 98.1 | Very high | 65 Ų | 65 | 72.9 Ų | 72.9 | 54% | 0.537 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -57.8 | -32.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | E76 G84 | E76-A80 PolarHBondContact O-N 3.15Å; A80-G84 PolarHBondContact O-N 2.89Å |
| 81 | Q | 98 | Very high | 98.1 | Very high | 118 Ų | 118 | 73.2 Ų | 73.2 | 55% | 0.551 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -70 | -39.4 | 173.9 | -72.9 | 178.5 | -39.2 | 0 | 0 | 112.3 | K77 Q78 L79 T85 | K77-Q81 WeakPolarHBondContact O-CG 3.42Å; K77-Q81 PolarHBondContact O-N 3.47Å; Q78-Q81 PolarHBondContact O-N 3.26Å; L79-Q81 PolarHBondContact O-N 3.37Å; L79-Q81 VanDerWaalsContact O-N 3.12Å; Q81-T85 WeakPolarHBondContact O-CB 3.49Å; Q81-T85 PolarHBondContact O-N 3.09Å; Q81-T85 PolarHBondContact O-OG1 3.45Å |
| 82 | I | 98.2 | Very high | 98.2 | Very high | 11 Ų | 11 | 73.2 Ų | 73.2 | 6% | 0.056 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66.6 | -47 | 176.1 | -71.8 | 174.7 | 0 | 0 | 0 | 110 | L36 K39 Q40 L43 Q78 L79 G84 T85 L86 | L36-I82 HydrophobicContact CB-CG2 4.28Å; L36-I82 HydrophobicContact CD2-CG2 4.28Å; K39-I82 HydrophobicContact CB-CD1 4.06Å; K39-I82 HydrophobicContact CD-CD1 3.5Å; K39-I82 HydrophobicContact CG-CD1 3.53Å; Q40-I82 HydrophobicContact CB-CG2 4.22Å; L43-I82 HydrophobicContact CD1-CD1 3.54Å; Q78-I82 WeakPolarHBondContact O-CG1 3.45Å; Q78-I82 PolarHBondContact O-N 3.36Å; L79-I82 CarbonylContact O-C 3.53Å; L79-I82 WeakPolarHBondContact O-CA 3.44Å; L79-I82 WeakPolarHBondContact O-CB 3.36Å; L79-I82 PolarHBondContact O-N 3.43Å; I82-G84 VanDerWaalsContact C-N 3.31Å; I82-G84 PolarHBondContact O-N 3.43Å; I82-T85 CarbonylContact O-C 3.54Å; I82-T85 WeakPolarHBondContact O-CA 3.37Å; I82-T85 WeakPolarHBondContact O-CB 3.41Å; I82-T85 PolarHBondContact O-N 3.47Å; I82-L86 WeakPolarHBondContact O-CB 3.4Å; I82-L86 PolarHBondContact O-N 2.93Å |
| 83 | D | 98.3 | Very high | 98.1 | Very high | 61 Ų | 61 | 73.7 Ų | 73.7 | 33% | 0.326 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -57.4 | -45.5 | 179.8 | -56.9 | -20.5 | 0 | 0 | 0 | 111.1 | Q40 L79 T85 L86 S87 | Q40-D83 WeakPolarHBondContact CG-OD1 3.42Å; L79-D83 VanDerWaalsContact O-CG 3.23Å; L79-D83 PolarHBondContact O-N 3.02Å; D83-T85 VanDerWaalsContact C-N 3.34Å; D83-T85 PolarHBondContact O-N 3.19Å; D83-L86 PolarHBondContact O-N 2.84Å; D83-S87 WeakPolarHBondContact O-CB 3.43Å; D83-S87 PolarHBondContact O-N 3.48Å |
| 84 | G | 97.9 | Very high | 98.1 | Very high | 39 Ų | 39 | 71.9 Ų | 71.9 | 40% | 0.402 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.4 | -35.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | A80 I82 T88 | A80-G84 PolarHBondContact O-N 2.89Å; I82-G84 VanDerWaalsContact C-N 3.31Å; I82-G84 PolarHBondContact O-N 3.43Å; G84-T88 PolarHBondContact O-N 2.91Å; G84-T88 PolarHBondContact O-OG1 3.15Å |
| 85 | T | 97.5 | Very high | 98.1 | Very high | 68 Ų | 68 | 66.7 Ų | 66.7 | 42% | 0.417 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -70.2 | -43.4 | 175.9 | -54 | 0 | 0 | 0 | 0 | 110.8 | L36 Q81 I82 D83 T88 I89 | L36-T85 HydrophobicContact CD1-CG2 3.97Å; Q81-T85 WeakPolarHBondContact O-CB 3.49Å; Q81-T85 PolarHBondContact O-N 3.09Å; Q81-T85 PolarHBondContact O-OG1 3.45Å; I82-T85 CarbonylContact O-C 3.54Å; I82-T85 WeakPolarHBondContact O-CA 3.37Å; I82-T85 WeakPolarHBondContact O-CB 3.41Å; I82-T85 PolarHBondContact O-N 3.47Å; D83-T85 VanDerWaalsContact C-N 3.34Å; D83-T85 PolarHBondContact O-N 3.19Å; T85-T88 WeakPolarHBondContact O-CB 3.3Å; T85-T88 PolarHBondContact O-N 2.96Å; T85-I89 HydrophobicContact CG2-CG1 4.47Å; T85-I89 WeakPolarHBondContact O-CG1 3.46Å; T85-I89 PolarHBondContact O-N 3.33Å |
| 86 | L | 97.8 | Very high | 97.9 | Very high | 11 Ų | 11 | 66.4 Ų | 66.4 | 6% | 0.058 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.6 | -50.7 | 179 | 179.9 | 63.3 | 0 | 0 | 0 | 110.2 | E33 L36 I82 D83 T88 I89 E90 | E33-L86 HydrophobicContact CB-CD1 3.99Å; E33-L86 HydrophobicContact CG-CD1 4.07Å; L36-L86 HydrophobicContact CB-CD1 4.07Å; L36-L86 HydrophobicContact CD1-CB 4.48Å; L36-L86 HydrophobicContact CD1-CD1 4.48Å; I82-L86 WeakPolarHBondContact O-CB 3.4Å; I82-L86 PolarHBondContact O-N 2.93Å; D83-L86 PolarHBondContact O-N 2.84Å; L86-T88 PolarHBondContact O-N 3.24Å; L86-I89 PolarHBondContact O-N 2.85Å; L86-E90 HydrophobicContact CD1-CG 4.35Å; L86-E90 HydrophobicContact CG-CG 4.42Å; L86-E90 WeakPolarHBondContact O-CG 3.44Å; L86-E90 PolarHBondContact O-N 3.43Å |
| 87 | S | 98.3 | Very high | 97.8 | Very high | 69 Ų | 69 | 66.1 Ų | 66.1 | 48% | 0.483 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -57.3 | -37.5 | 175.8 | 175.3 | 0 | 0 | 0 | 0 | 112.8 | D83 F91 | D83-S87 WeakPolarHBondContact O-CB 3.43Å; D83-S87 PolarHBondContact O-N 3.48Å; S87-F91 WeakPolarHBondContact O-CB 3.39Å; S87-F91 PolarHBondContact O-N 3.17Å |
| 88 | T | 98.1 | Very high | 97.7 | Very high | 75 Ų | 75 | 63.8 Ų | 63.8 | 46% | 0.46 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.2 | -41.1 | 175.6 | -57.1 | 0 | 0 | 0 | 0 | 111.7 | G84 T85 L86 Q92 | G84-T88 PolarHBondContact O-N 2.91Å; G84-T88 PolarHBondContact O-OG1 3.15Å; T85-T88 WeakPolarHBondContact O-CB 3.3Å; T85-T88 PolarHBondContact O-N 2.96Å; L86-T88 PolarHBondContact O-N 3.24Å; T88-Q92 WeakPolarHBondContact O-CB 3.47Å; T88-Q92 VanDerWaalsContact O-CG 3.26Å; T88-Q92 WeakPolarHBondContact O-CG 3.39Å; T88-Q92 PolarHBondContact O-N 2.88Å |
| 89 | I | 98 | Very high | 97.6 | Very high | 25 Ų | 25 | 62 Ų | 62 | 13% | 0.128 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -68.6 | -43.7 | 179 | -66.9 | -67.9 | 0 | 0 | 0 | 110.8 | L29 E33 L36 T85 L86 F91 Q92 R93 | L29-I89 HydrophobicContact CB-CG2 4.15Å; L29-I89 HydrophobicContact CD2-CD1 3.91Å; L29-I89 HydrophobicContact CD2-CG2 3.87Å; E33-I89 HydrophobicContact CG-CB 4.4Å; E33-I89 HydrophobicContact CG-CG2 3.51Å; L36-I89 HydrophobicContact CD1-CG1 4.38Å; T85-I89 HydrophobicContact CG2-CG1 4.47Å; T85-I89 WeakPolarHBondContact O-CG1 3.46Å; T85-I89 PolarHBondContact O-N 3.33Å; L86-I89 PolarHBondContact O-N 2.85Å; I89-F91 PolarHBondContact O-N 3.25Å; I89-Q92 WeakPolarHBondContact O-CB 3.14Å; I89-Q92 PolarHBondContact O-N 3.44Å; I89-Q92 VanDerWaalsContact O-N 3.16Å; I89-R93 PolarHBondContact O-N 3.43Å |
| 90 | E | 98.1 | Very high | 97.3 | Very high | 75 Ų | 75 | 62.6 Ų | 62.6 | 35% | 0.35 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -58.3 | -49.1 | 176.5 | -71.3 | 170.9 | 159.1 | 0 | 0 | 111 | E33 L86 Q92 R93 E94 | E33-E90 HydrophobicContact CG-CG 4.22Å; E33-E90 WeakPolarHBondContact OE1-CA 3.34Å; L86-E90 HydrophobicContact CD1-CG 4.35Å; L86-E90 HydrophobicContact CG-CG 4.42Å; L86-E90 WeakPolarHBondContact O-CG 3.44Å; L86-E90 PolarHBondContact O-N 3.43Å; E90-Q92 VanDerWaalsContact C-N 3.3Å; E90-Q92 PolarHBondContact O-N 3.18Å; E90-R93 WeakPolarHBondContact O-CB 3.28Å; E90-R93 PolarHBondContact O-N 2.87Å; E90-R93 VanDerWaalsContact O-N 3.15Å; E90-E94 WeakPolarHBondContact O-CG 3.46Å; E90-E94 PolarHBondContact O-N 3.43Å |
| 91 | F | 97.9 | Very high | 97.2 | Very high | 141 Ų | 141 | 63.2 Ų | 63.2 | 62% | 0.618 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -58.7 | -41.7 | 175.5 | 177 | -100.5 | 0 | 0 | 0 | 112.2 | S87 I89 A95 | S87-F91 WeakPolarHBondContact O-CB 3.39Å; S87-F91 PolarHBondContact O-N 3.17Å; I89-F91 PolarHBondContact O-N 3.25Å; F91-A95 VanDerWaalsContact O-CB 3.31Å; F91-A95 WeakPolarHBondContact O-CB 3.46Å; F91-A95 PolarHBondContact O-N 2.91Å |
| 92 | Q | 97.7 | Very high | 97 | Very high | 95 Ų | 95 | 62.3 Ų | 62.3 | 44% | 0.444 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66.2 | -38.5 | 176.8 | -76.4 | 176.1 | -8.2 | 0 | 0 | 112.5 | L29 T88 I89 E90 A95 L96 | L29-Q92 HydrophobicContact CD1-CB 4.43Å; T88-Q92 WeakPolarHBondContact O-CB 3.47Å; T88-Q92 VanDerWaalsContact O-CG 3.26Å; T88-Q92 WeakPolarHBondContact O-CG 3.39Å; T88-Q92 PolarHBondContact O-N 2.88Å; I89-Q92 WeakPolarHBondContact O-CB 3.14Å; I89-Q92 PolarHBondContact O-N 3.44Å; I89-Q92 VanDerWaalsContact O-N 3.16Å; E90-Q92 VanDerWaalsContact C-N 3.3Å; E90-Q92 PolarHBondContact O-N 3.18Å; Q92-A95 PolarHBondContact O-N 3.38Å; Q92-L96 WeakPolarHBondContact O-CB 3.38Å; Q92-L96 PolarHBondContact O-N 3.14Å |
| 93 | R | 97.7 | Very high | 96.8 | Very high | 44 Ų | 44 | 65.8 Ų | 65.8 | 17% | 0.166 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63 | -48.9 | 176.3 | -178 | -175.5 | 61.5 | 80.7 | 5.9 | 110.4 | I26 L29 R30 E33 I89 E90 L96 E97 | I26-R93 HydrophobicContact CG2-CG 4.21Å; L29-R93 HydrophobicContact CB-CB 4.1Å; L29-R93 HydrophobicContact CB-CG 4.4Å; L29-R93 HydrophobicContact CD1-CB 4.07Å; R30-R93 VanDerWaalsContact CG-CD 3.43Å; E33-R93 WeakPolarHBondContact OE1-CB 3.37Å; E33-R93 VanDerWaalsContact OE1-CD 3.25Å; E33-R93 WeakPolarHBondContact OE1-CD 3.33Å; E33-R93 IonicContact OE1-NE 2.79Å; E33-R93 PolarHBondContact OE1-NE 2.98Å; E33-R93 IonicContact OE2-NE 3.03Å; E33-R93 PolarHBondContact OE2-NE 3.45Å; I89-R93 PolarHBondContact O-N 3.43Å; E90-R93 WeakPolarHBondContact O-CB 3.28Å; E90-R93 PolarHBondContact O-N 2.87Å; E90-R93 VanDerWaalsContact O-N 3.15Å; R93-L96 PolarHBondContact O-N 2.9Å; R93-E97 IonicContact CZ-OE1 3.77Å; R93-E97 IonicContact NH1-OE1 3.84Å; R93-E97 PolarHBondContact NH1-OE1 3.18Å; R93-E97 IonicContact NH1-OE2 3.94Å; R93-E97 PolarHBondContact NH1-OE2 2.9Å; R93-E97 WeakPolarHBondContact O-CG 3.31Å; R93-E97 PolarHBondContact O-N 3.31Å |
| 94 | E | 97.8 | Very high | 96.6 | Very high | 98 Ų | 98 | 66.6 Ų | 66.6 | 46% | 0.458 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 177.6 | -71.1 | 177.3 | -177.5 | 0 | 0 | 111.7 | E90 L96 E97 N98 | E90-E94 WeakPolarHBondContact O-CG 3.46Å; E90-E94 PolarHBondContact O-N 3.43Å; E94-L96 VanDerWaalsContact C-N 3.26Å; E94-L96 PolarHBondContact O-N 3.37Å; E94-E97 PolarHBondContact O-N 2.96Å; E94-N98 WeakPolarHBondContact O-CB 3.44Å; E94-N98 VanDerWaalsContact O-CG 3.24Å; E94-N98 PolarHBondContact O-N 3.17Å; E94-N98 PolarHBondContact O-ND2 3.3Å |
| 95 | A | 97.1 | Very high | 96.6 | Very high | 45 Ų | 45 | 68.2 Ų | 68.2 | 37% | 0.372 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.7 | -39.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | F91 Q92 A99 | F91-A95 VanDerWaalsContact O-CB 3.31Å; F91-A95 WeakPolarHBondContact O-CB 3.46Å; F91-A95 PolarHBondContact O-N 2.91Å; Q92-A95 PolarHBondContact O-N 3.38Å; A95-A99 WeakPolarHBondContact O-CB 3.32Å; A95-A99 PolarHBondContact O-N 3.32Å |
| 96 | L | 96.2 | Very high | 96.6 | Very high | 49 Ų | 49 | 70.4 Ų | 70.4 | 26% | 0.257 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -73.6 | -37.8 | 178.7 | -168.6 | 66.1 | 0 | 0 | 0 | 112.6 | A25 I26 L29 Q92 R93 E94 A99 N100 | A25-L96 HydrophobicContact CB-CD2 3.47Å; A25-L96 VanDerWaalsContact CB-CD2 3.47Å; I26-L96 HydrophobicContact CD1-CG 4.35Å; I26-L96 HydrophobicContact CG1-CB 4.19Å; I26-L96 HydrophobicContact CG1-CD2 3.65Å; I26-L96 HydrophobicContact CG1-CG 3.88Å; L29-L96 HydrophobicContact CD1-CD2 4.23Å; Q92-L96 WeakPolarHBondContact O-CB 3.38Å; Q92-L96 PolarHBondContact O-N 3.14Å; R93-L96 PolarHBondContact O-N 2.9Å; E94-L96 VanDerWaalsContact C-N 3.26Å; E94-L96 PolarHBondContact O-N 3.37Å; L96-A99 PolarHBondContact O-N 3.49Å; L96-N100 WeakPolarHBondContact O-CB 3.36Å; L96-N100 PolarHBondContact O-N 3.26Å |
| 97 | E | 96 | Very high | 96.5 | Very high | 46 Ų | 46 | 74.7 Ų | 74.7 | 22% | 0.215 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 172.4 | -77 | 174.1 | -178.6 | 0 | 0 | 110.8 | I26 R30 R93 E94 N100 T101 | I26-E97 HydrophobicContact CD1-CB 4.47Å; I26-E97 HydrophobicContact CD1-CG 3.66Å; I26-E97 HydrophobicContact CG1-CG 4Å; I26-E97 HydrophobicContact CG2-CG 4.16Å; R30-E97 IonicContact CZ-OE1 2.99Å; R30-E97 IonicContact NE-OE1 2.74Å; R30-E97 IonicContact NH2-OE1 2.61Å; R30-E97 PolarHBondContact NH2-OE1 3.44Å; R93-E97 IonicContact CZ-OE1 3.77Å; R93-E97 IonicContact NH1-OE1 3.84Å; R93-E97 PolarHBondContact NH1-OE1 3.18Å; R93-E97 IonicContact NH1-OE2 3.94Å; R93-E97 PolarHBondContact NH1-OE2 2.9Å; R93-E97 WeakPolarHBondContact O-CG 3.31Å; R93-E97 PolarHBondContact O-N 3.31Å; E94-E97 PolarHBondContact O-N 2.96Å; E97-N100 PolarHBondContact O-N 2.85Å; E97-T101 PolarHBondContact O-N 3.29Å; E97-T101 PolarHBondContact O-OG1 2.94Å; E97-T101 VanDerWaalsContact O-OG1 3.07Å |
| 98 | N | 96.6 | Very high | 96.5 | Very high | 98 Ų | 98 | 76 Ų | 76 | 52% | 0.524 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.1 | -45.4 | 175 | -70.4 | -23.4 | 0 | 0 | 0 | 111.7 | E94 N100 T101 N102 | E94-N98 WeakPolarHBondContact O-CB 3.44Å; E94-N98 VanDerWaalsContact O-CG 3.24Å; E94-N98 PolarHBondContact O-N 3.17Å; E94-N98 PolarHBondContact O-ND2 3.3Å; N98-N100 VanDerWaalsContact C-N 3.3Å; N98-N100 PolarHBondContact O-N 3.35Å; N98-T101 PolarHBondContact O-N 2.92Å; N98-N102 WeakPolarHBondContact O-CB 3.5Å; N98-N102 PolarHBondContact O-N 3.42Å; N98-N102 PolarHBondContact O-ND2 3.19Å; N98-N102 PolarHBondContact O-OD1 2.92Å |
| 99 | A | 94.9 | Very high | 96.4 | Very high | 46 Ų | 46 | 78.1 Ų | 78.1 | 38% | 0.38 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.5 | -40 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A95 L96 T103 | A95-A99 WeakPolarHBondContact O-CB 3.32Å; A95-A99 PolarHBondContact O-N 3.32Å; L96-A99 PolarHBondContact O-N 3.49Å; A99-T103 WeakPolarHBondContact O-CB 3.41Å; A99-T103 PolarHBondContact O-N 3.49Å; A99-T103 PolarHBondContact O-OG1 3Å |
| 100 | N | 93 | Very high | 96.3 | Very high | 35 Ų | 35 | 78.5 Ų | 78.5 | 19% | 0.187 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -66.1 | -45.3 | 176.5 | -174.7 | 72.9 | 0 | 0 | 0 | 111.7 | P22 Q23 L96 E97 N98 T103 E104 | P22-N100 HydrophobicContact CB-CB 4.05Å; P22-N100 WeakPolarHBondContact CB-OD1 3.41Å; Q23-N100 PolarHBondContact NE2-ND2 2.78Å; Q23-N100 PolarHBondContact NE2-OD1 3.39Å; L96-N100 WeakPolarHBondContact O-CB 3.36Å; L96-N100 PolarHBondContact O-N 3.26Å; E97-N100 PolarHBondContact O-N 2.85Å; N98-N100 VanDerWaalsContact C-N 3.3Å; N98-N100 PolarHBondContact O-N 3.35Å; N100-T103 WeakPolarHBondContact O-CB 3.48Å; N100-T103 PolarHBondContact O-N 2.93Å; N100-E104 PolarHBondContact O-N 2.9Å; N100-E104 VanDerWaalsContact O-N 3.11Å |
| 101 | T | 95.1 | Very high | 96.2 | Very high | 79 Ų | 79 | 81.6 Ų | 81.6 | 49% | 0.485 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.6 | -46.7 | 175.5 | -60.5 | 0 | 0 | 0 | 0 | 111.5 | E97 N98 T103 E104 V105 | E97-T101 PolarHBondContact O-N 3.29Å; E97-T101 PolarHBondContact O-OG1 2.94Å; E97-T101 VanDerWaalsContact O-OG1 3.07Å; N98-T101 PolarHBondContact O-N 2.92Å; T101-T103 VanDerWaalsContact C-N 3.26Å; T101-T103 PolarHBondContact O-N 3.11Å; T101-E104 PolarHBondContact O-N 2.88Å; T101-E104 VanDerWaalsContact O-N 3.14Å; T101-V105 HydrophobicContact CG2-CG2 4.48Å; T101-V105 WeakPolarHBondContact O-CG2 3.37Å; T101-V105 PolarHBondContact O-N 3.07Å |
| 102 | N | 94.7 | Very high | 96.1 | Very high | 98 Ų | 98 | 77.3 Ų | 77.3 | 52% | 0.524 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.5 | -37.6 | 177.6 | -69.5 | -9 | 0 | 0 | 0 | 111.7 | N98 V105 L106 | N98-N102 WeakPolarHBondContact O-CB 3.5Å; N98-N102 PolarHBondContact O-N 3.42Å; N98-N102 PolarHBondContact O-ND2 3.19Å; N98-N102 PolarHBondContact O-OD1 2.92Å; N102-V105 PolarHBondContact O-N 2.99Å; N102-L106 WeakPolarHBondContact O-CB 3.35Å; N102-L106 VanDerWaalsContact O-CG 3.28Å; N102-L106 WeakPolarHBondContact O-CG 3.39Å; N102-L106 PolarHBondContact O-N 3.33Å |
| 103 | T | 95.2 | Very high | 96 | Very high | 85 Ų | 85 | 75.1 Ų | 75.1 | 52% | 0.521 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 175.7 | -58.8 | 0 | 0 | 0 | 0 | 111.6 | A99 N100 T101 L106 K107 | A99-T103 WeakPolarHBondContact O-CB 3.41Å; A99-T103 PolarHBondContact O-N 3.49Å; A99-T103 PolarHBondContact O-OG1 3Å; N100-T103 WeakPolarHBondContact O-CB 3.48Å; N100-T103 PolarHBondContact O-N 2.93Å; T101-T103 VanDerWaalsContact C-N 3.26Å; T101-T103 PolarHBondContact O-N 3.11Å; T103-L106 PolarHBondContact O-N 3.28Å; T103-K107 WeakPolarHBondContact O-CB 3.47Å; T103-K107 PolarHBondContact O-N 2.86Å |
| 104 | E | 94 | Very high | 95.9 | Very high | 78 Ų | 78 | 80 Ų | 80 | 36% | 0.364 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -67.5 | -39 | 176.2 | -72.6 | -61.5 | 147.3 | 0 | 0 | 112.2 | N100 T101 K107 N108 | N100-E104 PolarHBondContact O-N 2.9Å; N100-E104 VanDerWaalsContact O-N 3.11Å; T101-E104 PolarHBondContact O-N 2.88Å; T101-E104 VanDerWaalsContact O-N 3.14Å; E104-K107 PolarHBondContact O-N 2.98Å; E104-K107 IonicContact OE1-NZ 3.21Å; E104-K107 IonicContact OE2-NZ 3.6Å; E104-N108 WeakPolarHBondContact O-CB 3.48Å; E104-N108 VanDerWaalsContact O-CG 3.26Å; E104-N108 PolarHBondContact O-N 3.33Å; E104-N108 PolarHBondContact O-ND2 3.4Å |
| 105 | V | 97.2 | Very high | 95.7 | Very high | 72 Ų | 72 | 78.3 Ų | 78.3 | 44% | 0.436 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -58.7 | -50.2 | 172.9 | 171.3 | 0 | 0 | 0 | 0 | 110.5 | T101 N102 K107 N108 M109 | T101-V105 HydrophobicContact CG2-CG2 4.48Å; T101-V105 WeakPolarHBondContact O-CG2 3.37Å; T101-V105 PolarHBondContact O-N 3.07Å; N102-V105 PolarHBondContact O-N 2.99Å; V105-K107 VanDerWaalsContact C-N 3.3Å; V105-K107 PolarHBondContact O-N 3.03Å; V105-N108 PolarHBondContact O-N 2.95Å; V105-M109 HydrophobicContact CG1-CG 4.41Å; V105-M109 HydrophobicContact CG1-SD 4Å; V105-M109 WeakPolarHBondContact O-CG 3.44Å; V105-M109 PolarHBondContact O-N 2.79Å |
| 106 | L | 97 | Very high | 95.4 | Very high | 114 Ų | 114 | 81.5 Ų | 81.5 | 60% | 0.597 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -60.6 | -39.8 | 178.4 | -73.8 | 172.1 | 0 | 0 | 0 | 112.3 | N102 T103 M109 G110 | N102-L106 WeakPolarHBondContact O-CB 3.35Å; N102-L106 VanDerWaalsContact O-CG 3.28Å; N102-L106 WeakPolarHBondContact O-CG 3.39Å; N102-L106 PolarHBondContact O-N 3.33Å; T103-L106 PolarHBondContact O-N 3.28Å; L106-M109 PolarHBondContact O-N 2.76Å; L106-G110 PolarHBondContact O-N 3.05Å |
| 107 | K | 96.6 | Very high | 95.1 | Very high | 101 Ų | 101 | 85.5 Ų | 85.5 | 44% | 0.439 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62 | -46.3 | 175.4 | -176.5 | -172.1 | 178.2 | -170.2 | 0 | 111.2 | T103 E104 V105 G110 Y111 | T103-K107 WeakPolarHBondContact O-CB 3.47Å; T103-K107 PolarHBondContact O-N 2.86Å; E104-K107 PolarHBondContact O-N 2.98Å; E104-K107 IonicContact OE1-NZ 3.21Å; E104-K107 IonicContact OE2-NZ 3.6Å; V105-K107 VanDerWaalsContact C-N 3.3Å; V105-K107 PolarHBondContact O-N 3.03Å; K107-G110 PolarHBondContact O-N 3.36Å; K107-Y111 HydrophobicContact CD-CE2 4.27Å; K107-Y111 HydrophobicContact CG-CD2 4.06Å; K107-Y111 HydrophobicContact CG-CE2 3.66Å; K107-Y111 WeakPolarHBondContact O-CD2 3.36Å; K107-Y111 PolarHBondContact O-N 3.05Å |
| 108 | N | 97.5 | Very high | 94.7 | Very high | 98 Ų | 98 | 85.5 Ų | 85.5 | 52% | 0.524 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.2 | -41.2 | 177.5 | -70.1 | -21.3 | 0 | 0 | 0 | 112.1 | E104 V105 G110 Y111 A112 | E104-N108 WeakPolarHBondContact O-CB 3.48Å; E104-N108 VanDerWaalsContact O-CG 3.26Å; E104-N108 PolarHBondContact O-N 3.33Å; E104-N108 PolarHBondContact O-ND2 3.4Å; V105-N108 PolarHBondContact O-N 2.95Å; N108-G110 VanDerWaalsContact C-N 3.3Å; N108-G110 PolarHBondContact O-N 3.16Å; N108-Y111 PolarHBondContact O-N 3.49Å; N108-A112 PolarHBondContact O-N 2.86Å |
| 109 | M | 95.4 | Very high | 94.1 | Very high | 119 Ų | 119 | 83.1 Ų | 83.1 | 59% | 0.586 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -60.4 | -41.2 | 171.9 | -69.4 | 176.4 | 75.4 | 0 | 0 | 111.5 | V105 L106 Y111 A112 A113 | V105-M109 HydrophobicContact CG1-CG 4.41Å; V105-M109 HydrophobicContact CG1-SD 4Å; V105-M109 WeakPolarHBondContact O-CG 3.44Å; V105-M109 PolarHBondContact O-N 2.79Å; L106-M109 PolarHBondContact O-N 2.76Å; M109-Y111 VanDerWaalsContact C-N 3.33Å; M109-Y111 PolarHBondContact O-N 3.15Å; M109-A112 PolarHBondContact O-N 2.84Å; M109-A113 WeakPolarHBondContact O-CB 3.17Å; M109-A113 PolarHBondContact O-N 3.34Å |
| 110 | G | 96.6 | Very high | 93.6 | Very high | 33 Ų | 33 | 86.8 Ų | 86.8 | 34% | 0.34 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.7 | -37.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L106 K107 N108 K114 | L106-G110 PolarHBondContact O-N 3.05Å; K107-G110 PolarHBondContact O-N 3.36Å; N108-G110 VanDerWaalsContact C-N 3.3Å; N108-G110 PolarHBondContact O-N 3.16Å; G110-K114 VanDerWaalsContact O-CG 3.3Å; G110-K114 WeakPolarHBondContact O-CG 3.25Å; G110-K114 PolarHBondContact O-N 3.14Å; G110-K114 VanDerWaalsContact O-N 3.15Å |
| 111 | Y | 96.1 | Very high | 92.9 | Very high | 140 Ų | 140 | 90.2 Ų | 90.2 | 55% | 0.549 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68 | -43.6 | 172.2 | -77.5 | -69.6 | 0 | 0 | 0 | 112.3 | K107 N108 M109 A113 K114 A115 | K107-Y111 HydrophobicContact CD-CE2 4.27Å; K107-Y111 HydrophobicContact CG-CD2 4.06Å; K107-Y111 HydrophobicContact CG-CE2 3.66Å; K107-Y111 WeakPolarHBondContact O-CD2 3.36Å; K107-Y111 PolarHBondContact O-N 3.05Å; N108-Y111 PolarHBondContact O-N 3.49Å; M109-Y111 VanDerWaalsContact C-N 3.33Å; M109-Y111 PolarHBondContact O-N 3.15Å; Y111-A113 PolarHBondContact O-N 3Å; Y111-K114 PolarHBondContact O-N 2.98Å; Y111-A115 PolarHBondContact O-N 3.21Å |
| 112 | A | 95.5 | Very high | 91.6 | Very high | 50 Ų | 50 | 92.8 Ų | 92.8 | 41% | 0.413 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.8 | -43.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | N108 M109 K114 A115 M116 | N108-A112 PolarHBondContact O-N 2.86Å; M109-A112 PolarHBondContact O-N 2.84Å; A112-K114 VanDerWaalsContact C-N 3.34Å; A112-K114 PolarHBondContact O-N 3.39Å; A112-A115 PolarHBondContact O-N 2.85Å; A112-A115 VanDerWaalsContact O-N 3.17Å; A112-M116 WeakPolarHBondContact O-CG 3.44Å; A112-M116 PolarHBondContact O-N 3.46Å |
| 113 | A | 95.5 | Very high | 90.3 | Very high | 49 Ų | 49 | 94.3 Ų | 94.3 | 41% | 0.405 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.8 | -41.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | M109 Y111 M116 K117 | M109-A113 WeakPolarHBondContact O-CB 3.17Å; M109-A113 PolarHBondContact O-N 3.34Å; Y111-A113 PolarHBondContact O-N 3Å; A113-M116 PolarHBondContact O-N 3.22Å; A113-K117 WeakPolarHBondContact O-CB 3.49Å; A113-K117 PolarHBondContact O-N 3.23Å |
| 114 | K | 95.2 | Very high | 88.9 | Confident | 147 Ų | 147 | 93.3 Ų | 93.3 | 64% | 0.639 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.8 | -39.7 | 174 | -73 | 173 | -175.6 | 179.3 | 0 | 112.2 | G110 Y111 A112 K117 A118 | G110-K114 VanDerWaalsContact O-CG 3.3Å; G110-K114 WeakPolarHBondContact O-CG 3.25Å; G110-K114 PolarHBondContact O-N 3.14Å; G110-K114 VanDerWaalsContact O-N 3.15Å; Y111-K114 PolarHBondContact O-N 2.98Å; A112-K114 VanDerWaalsContact C-N 3.34Å; A112-K114 PolarHBondContact O-N 3.39Å; K114-K117 PolarHBondContact O-N 3.46Å; K114-A118 WeakPolarHBondContact O-CB 3.43Å; K114-A118 PolarHBondContact O-N 3.48Å |
| 115 | A | 93.6 | Very high | 87.8 | Confident | 62 Ų | 62 | 95.2 Ų | 95.2 | 51% | 0.512 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.2 | -43.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y111 A112 A118 A119 | Y111-A115 PolarHBondContact O-N 3.21Å; A112-A115 PolarHBondContact O-N 2.85Å; A112-A115 VanDerWaalsContact O-N 3.17Å; A115-A118 PolarHBondContact O-N 3.16Å; A115-A119 WeakPolarHBondContact O-CB 3.48Å; A115-A119 PolarHBondContact O-N 2.81Å |
| 116 | M | 91.5 | Very high | 86.6 | Confident | 113 Ų | 113 | 97.1 Ų | 97.1 | 56% | 0.557 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.5 | -44 | 173.4 | -72.8 | -172 | -68.6 | 0 | 0 | 111.5 | A112 A113 A118 A119 H120 | A112-M116 WeakPolarHBondContact O-CG 3.44Å; A112-M116 PolarHBondContact O-N 3.46Å; A113-M116 PolarHBondContact O-N 3.22Å; M116-A118 PolarHBondContact O-N 2.99Å; M116-A119 PolarHBondContact O-N 2.98Å; M116-H120 PolarHBondContact O-N 2.86Å |
| 117 | K | 89.3 | Confident | 85.5 | Confident | 132 Ų | 132 | 97.7 Ų | 97.7 | 57% | 0.574 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -58.6 | -49 | 174.8 | -174.3 | -179.4 | 176.6 | -179.7 | 0 | 111.3 | A113 K114 A119 H120 D121 | A113-K117 WeakPolarHBondContact O-CB 3.49Å; A113-K117 PolarHBondContact O-N 3.23Å; K114-K117 PolarHBondContact O-N 3.46Å; K117-A119 VanDerWaalsContact C-N 3.29Å; K117-A119 PolarHBondContact O-N 2.96Å; K117-H120 PolarHBondContact O-N 3.22Å; K117-D121 WeakPolarHBondContact O-CB 3.22Å; K117-D121 PolarHBondContact O-N 3.24Å |
| 118 | A | 88.3 | Confident | 84.6 | Confident | 46 Ų | 46 | 96.4 Ų | 96.4 | 38% | 0.38 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.5 | -34.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | K114 A115 M116 N122 | K114-A118 WeakPolarHBondContact O-CB 3.43Å; K114-A118 PolarHBondContact O-N 3.48Å; A115-A118 PolarHBondContact O-N 3.16Å; M116-A118 PolarHBondContact O-N 2.99Å; A118-N122 WeakPolarHBondContact O-CB 3.47Å; A118-N122 VanDerWaalsContact O-CG 3.25Å; A118-N122 PolarHBondContact O-N 3.19Å; A118-N122 PolarHBondContact O-ND2 3.45Å; A118-N122 VanDerWaalsContact O-ND2 3.07Å |
| 119 | A | 84.9 | Confident | 83.8 | Confident | 49 Ų | 49 | 96.4 Ų | 96.4 | 41% | 0.405 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.9 | -41.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A115 M116 K117 N122 M123 | A115-A119 WeakPolarHBondContact O-CB 3.48Å; A115-A119 PolarHBondContact O-N 2.81Å; M116-A119 PolarHBondContact O-N 2.98Å; K117-A119 VanDerWaalsContact C-N 3.29Å; K117-A119 PolarHBondContact O-N 2.96Å; A119-N122 CarbonylContact O-C 3.55Å; A119-N122 PolarHBondContact O-N 3.21Å; A119-M123 WeakPolarHBondContact O-CG 3.48Å; A119-M123 PolarHBondContact O-N 2.98Å |
| 120 | H | 82.7 | Confident | 83.2 | Confident | 123 Ų | 123 | 96.5 Ų | 96.5 | 57% | 0.569 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -70.6 | -39 | 174.9 | -65.4 | 166.5 | 0 | 0 | 0 | 112.6 | M116 K117 N122 M123 | M116-H120 PolarHBondContact O-N 2.86Å; K117-H120 PolarHBondContact O-N 3.22Å; H120-N122 PolarHBondContact O-N 3.34Å; H120-M123 CarbonylContact O-C 3.59Å; H120-M123 WeakPolarHBondContact O-CA 3.43Å; H120-M123 WeakPolarHBondContact O-CB 3.26Å; H120-M123 PolarHBondContact O-N 3.37Å; H120-M123 VanDerWaalsContact O-N 3.07Å |
| 121 | D | 78.5 | Confident | 82.6 | Confident | 107 Ų | 107 | 99.8 Ų | 99.8 | 57% | 0.572 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.1 | -31.1 | 173.9 | -67.1 | -16.7 | 0 | 0 | 0 | 110.5 | K117 | K117-D121 WeakPolarHBondContact O-CB 3.22Å; K117-D121 PolarHBondContact O-N 3.24Å |
| 122 | N | 68.5 | Low | 82.1 | Confident | 132 Ų | 132 | 98.5 Ų | 98.5 | 71% | 0.706 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -82.7 | -19.7 | 173.3 | -75.6 | -34.1 | 0 | 0 | 0 | 114.2 | A118 A119 H120 D124 | A118-N122 WeakPolarHBondContact O-CB 3.47Å; A118-N122 VanDerWaalsContact O-CG 3.25Å; A118-N122 PolarHBondContact O-N 3.19Å; A118-N122 PolarHBondContact O-ND2 3.45Å; A118-N122 VanDerWaalsContact O-ND2 3.07Å; A119-N122 CarbonylContact O-C 3.55Å; A119-N122 PolarHBondContact O-N 3.21Å; H120-N122 PolarHBondContact O-N 3.34Å; N122-D124 PolarHBondContact O-N 3Å |
| 123 | M | 67.1 | Low | 82 | Confident | 131 Ų | 131 | 101.2 Ų | 101.2 | 65% | 0.645 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -74.5 | 75.3 | 162.7 | -71.9 | 175.8 | 68.2 | 0 | 0 | 105.6 | A119 H120 I125 | A119-M123 WeakPolarHBondContact O-CG 3.48Å; A119-M123 PolarHBondContact O-N 2.98Å; H120-M123 CarbonylContact O-C 3.59Å; H120-M123 WeakPolarHBondContact O-CA 3.43Å; H120-M123 WeakPolarHBondContact O-CB 3.26Å; H120-M123 PolarHBondContact O-N 3.37Å; H120-M123 VanDerWaalsContact O-N 3.07Å; M123-I125 PolarHBondContact O-N 2.75Å |
| 124 | D | 65.4 | Low | 81.8 | Confident | 64 Ų | 64 | 103 Ų | 103 | 34% | 0.342 | 54% | 0.535 | S | S | . | . | trans | -25.6 | 108.1 | -177.3 | -96.1 | -42.9 | 0 | 0 | 0 | 110.3 | N122 D126 K127 V128 | N122-D124 PolarHBondContact O-N 3Å; D124-D126 HydrophobicContact CB-CB 4.33Å; D124-D126 PolarHBondContact O-N 2.99Å; D124-D126 VanDerWaalsContact O-N 3.16Å; D124-K127 HydrophobicContact CB-CB 3.71Å; D124-K127 HydrophobicContact CB-CD 3.81Å; D124-K127 HydrophobicContact CB-CG 3.5Å; D124-K127 WeakPolarHBondContact O-CA 3.37Å; D124-K127 WeakPolarHBondContact O-CB 3.36Å; D124-K127 PolarHBondContact O-N 3.27Å; D124-K127 WeakPolarHBondContact OD2-CE 3.33Å; D124-K127 IonicContact OD2-NZ 3.54Å; D124-V128 PolarHBondContact O-N 2.98Å | ||
| 125 | I | 70.6 | Confident | 81.5 | Confident | 117 Ų | 117 | 99.4 Ų | 99.4 | 60% | 0.6 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -55.4 | -30.8 | 169.2 | -160.7 | 161.9 | 0 | 0 | 0 | 109.3 | M123 K127 V128 D129 | M123-I125 PolarHBondContact O-N 2.75Å; I125-K127 VanDerWaalsContact C-N 3.29Å; I125-K127 PolarHBondContact O-N 3.43Å; I125-V128 CarbonylContact O-C 3.46Å; I125-V128 WeakPolarHBondContact O-CA 3.38Å; I125-V128 WeakPolarHBondContact O-CB 3.47Å; I125-V128 PolarHBondContact O-N 2.95Å; I125-D129 WeakPolarHBondContact O-CB 3.49Å; I125-D129 PolarHBondContact O-N 3.04Å |
| 126 | D | 71.7 | Confident | 81.2 | Confident | 112 Ų | 112 | 98.4 Ų | 98.4 | 60% | 0.599 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -58.7 | -36.2 | 171.3 | -61.2 | -16.2 | 0 | 0 | 0 | 112.6 | D124 E130 | D124-D126 HydrophobicContact CB-CB 4.33Å; D124-D126 PolarHBondContact O-N 2.99Å; D124-D126 VanDerWaalsContact O-N 3.16Å; D126-E130 VanDerWaalsContact O-CB 3.24Å; D126-E130 WeakPolarHBondContact O-CB 3.38Å; D126-E130 PolarHBondContact O-N 2.81Å |
| 127 | K | 74.1 | Confident | 81.3 | Confident | 126 Ų | 126 | 96.3 Ų | 96.3 | 55% | 0.548 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -77.3 | -30.5 | 174.1 | -73.1 | -179.8 | -169.3 | 165.1 | 0 | 112.3 | D124 I125 L131 | D124-K127 HydrophobicContact CB-CB 3.71Å; D124-K127 HydrophobicContact CB-CD 3.81Å; D124-K127 HydrophobicContact CB-CG 3.5Å; D124-K127 WeakPolarHBondContact O-CA 3.37Å; D124-K127 WeakPolarHBondContact O-CB 3.36Å; D124-K127 PolarHBondContact O-N 3.27Å; D124-K127 WeakPolarHBondContact OD2-CE 3.33Å; D124-K127 IonicContact OD2-NZ 3.54Å; I125-K127 VanDerWaalsContact C-N 3.29Å; I125-K127 PolarHBondContact O-N 3.43Å; K127-L131 WeakPolarHBondContact O-CB 3.47Å; K127-L131 PolarHBondContact O-N 3.28Å |
| 128 | V | 78.3 | Confident | 81.3 | Confident | 74 Ų | 74 | 95.9 Ų | 95.9 | 45% | 0.448 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.4 | -43.9 | 171.8 | 179.1 | 0 | 0 | 0 | 0 | 109.1 | D124 I125 L131 M132 | D124-V128 PolarHBondContact O-N 2.98Å; I125-V128 CarbonylContact O-C 3.46Å; I125-V128 WeakPolarHBondContact O-CA 3.38Å; I125-V128 WeakPolarHBondContact O-CB 3.47Å; I125-V128 PolarHBondContact O-N 2.95Å; V128-L131 PolarHBondContact O-N 3.09Å; V128-M132 HydrophobicContact CG1-CG 4.41Å; V128-M132 WeakPolarHBondContact O-CB 3.44Å; V128-M132 WeakPolarHBondContact O-CG 3.36Å; V128-M132 PolarHBondContact O-N 3.26Å |
| 129 | D | 79.8 | Confident | 81.2 | Confident | 98 Ų | 98 | 99.6 Ų | 99.6 | 52% | 0.524 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.4 | -41.6 | 175.6 | -72.8 | -15.2 | 0 | 0 | 0 | 111.3 | I125 M132 Q133 | I125-D129 WeakPolarHBondContact O-CB 3.49Å; I125-D129 PolarHBondContact O-N 3.04Å; D129-M132 PolarHBondContact O-N 3.42Å; D129-Q133 WeakPolarHBondContact O-CB 3.42Å; D129-Q133 PolarHBondContact O-N 3.34Å |
| 130 | E | 84.4 | Confident | 81.5 | Confident | 122 Ų | 122 | 103.6 Ų | 103.6 | 57% | 0.57 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.8 | -45.4 | 172.7 | -171.8 | 177.1 | -163.3 | 0 | 0 | 111.2 | D126 M132 Q133 D134 | D126-E130 VanDerWaalsContact O-CB 3.24Å; D126-E130 WeakPolarHBondContact O-CB 3.38Å; D126-E130 PolarHBondContact O-N 2.81Å; E130-M132 VanDerWaalsContact C-N 3.34Å; E130-M132 PolarHBondContact O-N 3.05Å; E130-Q133 PolarHBondContact O-N 3.2Å; E130-D134 WeakPolarHBondContact O-CB 3.44Å; E130-D134 PolarHBondContact O-N 3.39Å |
| 131 | L | 83.4 | Confident | 81.7 | Confident | 102 Ų | 102 | 101.1 Ų | 101.1 | 53% | 0.534 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.3 | -39.4 | 175.4 | -178 | 71.5 | 0 | 0 | 0 | 111.9 | K127 V128 Q133 D134 I135 | K127-L131 WeakPolarHBondContact O-CB 3.47Å; K127-L131 PolarHBondContact O-N 3.28Å; V128-L131 PolarHBondContact O-N 3.09Å; L131-Q133 VanDerWaalsContact C-N 3.35Å; L131-D134 PolarHBondContact O-N 2.8Å; L131-I135 HydrophobicContact CG-CD1 4.26Å; L131-I135 VanDerWaalsContact O-CG1 3.23Å; L131-I135 WeakPolarHBondContact O-CG1 3.49Å; L131-I135 PolarHBondContact O-N 2.76Å |
| 132 | M | 86.4 | Confident | 82 | Confident | 112 Ų | 112 | 98.8 Ų | 98.8 | 55% | 0.552 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -68.6 | -35.8 | 176.8 | -74.4 | -64.1 | -61 | 0 | 0 | 111.5 | V128 D129 E130 I135 A136 | V128-M132 HydrophobicContact CG1-CG 4.41Å; V128-M132 WeakPolarHBondContact O-CB 3.44Å; V128-M132 WeakPolarHBondContact O-CG 3.36Å; V128-M132 PolarHBondContact O-N 3.26Å; D129-M132 PolarHBondContact O-N 3.42Å; E130-M132 VanDerWaalsContact C-N 3.34Å; E130-M132 PolarHBondContact O-N 3.05Å; M132-I135 PolarHBondContact O-N 3.06Å; M132-I135 HydrophobicContact SD-CD1 4.35Å; M132-A136 PolarHBondContact O-N 3.04Å |
| 133 | Q | 91.6 | Very high | 82.9 | Confident | 108 Ų | 108 | 99.3 Ų | 99.3 | 51% | 0.505 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.5 | -46.1 | 172.2 | -172.8 | 63.8 | 42.8 | 0 | 0 | 110.6 | D129 E130 L131 I135 A136 D137 | D129-Q133 WeakPolarHBondContact O-CB 3.42Å; D129-Q133 PolarHBondContact O-N 3.34Å; E130-Q133 PolarHBondContact O-N 3.2Å; L131-Q133 VanDerWaalsContact C-N 3.35Å; Q133-I135 VanDerWaalsContact C-N 3.26Å; Q133-I135 PolarHBondContact O-N 2.92Å; Q133-A136 WeakPolarHBondContact O-CB 3.35Å; Q133-A136 PolarHBondContact O-N 2.92Å; Q133-D137 PolarHBondContact NE2-OD1 3Å; Q133-D137 WeakPolarHBondContact O-CB 3.47Å; Q133-D137 VanDerWaalsContact O-CG 3.26Å; Q133-D137 PolarHBondContact O-N 3.12Å |
| 134 | D | 91.3 | Very high | 83.7 | Confident | 85 Ų | 85 | 99.2 Ų | 99.2 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57.4 | -41.1 | 174.7 | -76.5 | -13.8 | 0 | 0 | 0 | 111 | E130 L131 D137 Q138 | E130-D134 WeakPolarHBondContact O-CB 3.44Å; E130-D134 PolarHBondContact O-N 3.39Å; L131-D134 PolarHBondContact O-N 2.8Å; D134-D137 PolarHBondContact O-N 2.61Å; D134-Q138 WeakPolarHBondContact O-CB 3.24Å; D134-Q138 WeakPolarHBondContact O-CG 3.43Å; D134-Q138 PolarHBondContact O-N 2.86Å |
| 135 | I | 89.1 | Confident | 84.5 | Confident | 73 Ų | 73 | 100.1 Ų | 100.1 | 37% | 0.374 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.4 | -43.2 | 174.9 | -71.3 | 165.1 | 0 | 0 | 0 | 111.2 | L131 M132 Q133 Q138 Q139 | L131-I135 HydrophobicContact CG-CD1 4.26Å; L131-I135 VanDerWaalsContact O-CG1 3.23Å; L131-I135 WeakPolarHBondContact O-CG1 3.49Å; L131-I135 PolarHBondContact O-N 2.76Å; M132-I135 PolarHBondContact O-N 3.06Å; M132-I135 HydrophobicContact SD-CD1 4.35Å; Q133-I135 VanDerWaalsContact C-N 3.26Å; Q133-I135 PolarHBondContact O-N 2.92Å; I135-Q138 PolarHBondContact O-N 3.06Å; I135-Q139 WeakPolarHBondContact O-CG 3.44Å; I135-Q139 PolarHBondContact O-N 3.01Å |
| 136 | A | 88.8 | Confident | 84.9 | Confident | 40 Ų | 40 | 98.1 Ų | 98.1 | 33% | 0.331 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.1 | -45.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | M132 Q133 Q138 Q139 E140 | M132-A136 PolarHBondContact O-N 3.04Å; Q133-A136 WeakPolarHBondContact O-CB 3.35Å; Q133-A136 PolarHBondContact O-N 2.92Å; A136-Q138 VanDerWaalsContact C-N 3.3Å; A136-Q138 PolarHBondContact O-N 2.91Å; A136-Q139 WeakPolarHBondContact O-CB 3.45Å; A136-Q139 PolarHBondContact O-N 2.73Å; A136-Q139 VanDerWaalsContact O-N 3.11Å; A136-E140 PolarHBondContact O-N 3.12Å |
| 137 | D | 92.7 | Very high | 85.4 | Confident | 70 Ų | 70 | 95.9 Ų | 95.9 | 37% | 0.374 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.8 | -37.7 | 176.8 | -67.1 | 1.2 | 0 | 0 | 0 | 111 | Q133 D134 E140 L141 | Q133-D137 PolarHBondContact NE2-OD1 3Å; Q133-D137 WeakPolarHBondContact O-CB 3.47Å; Q133-D137 VanDerWaalsContact O-CG 3.26Å; Q133-D137 PolarHBondContact O-N 3.12Å; D134-D137 PolarHBondContact O-N 2.61Å; D137-E140 PolarHBondContact O-N 3.44Å; D137-L141 WeakPolarHBondContact O-CB 3.48Å; D137-L141 PolarHBondContact O-N 3.26Å |
| 138 | Q | 89.3 | Confident | 85.4 | Confident | 122 Ų | 122 | 92.3 Ų | 92.3 | 57% | 0.57 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -69.2 | -34 | 173.4 | -72.3 | -56.9 | -61.8 | 0 | 0 | 112.8 | D134 I135 A136 A142 | D134-Q138 WeakPolarHBondContact O-CB 3.24Å; D134-Q138 WeakPolarHBondContact O-CG 3.43Å; D134-Q138 PolarHBondContact O-N 2.86Å; I135-Q138 PolarHBondContact O-N 3.06Å; A136-Q138 VanDerWaalsContact C-N 3.3Å; A136-Q138 PolarHBondContact O-N 2.91Å; Q138-A142 WeakPolarHBondContact O-CB 3.48Å; Q138-A142 PolarHBondContact O-N 3.02Å |
| 139 | Q | 86.8 | Confident | 85.1 | Confident | 125 Ų | 125 | 95.3 Ų | 95.3 | 58% | 0.584 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.6 | -43.1 | 173 | -75.5 | 177.7 | 5.5 | 0 | 0 | 111.1 | I135 A136 A142 E143 | I135-Q139 WeakPolarHBondContact O-CG 3.44Å; I135-Q139 PolarHBondContact O-N 3.01Å; A136-Q139 WeakPolarHBondContact O-CB 3.45Å; A136-Q139 PolarHBondContact O-N 2.73Å; A136-Q139 VanDerWaalsContact O-N 3.11Å; Q139-A142 PolarHBondContact O-N 3.06Å; Q139-E143 PolarHBondContact O-N 3.07Å |
| 140 | E | 90.5 | Very high | 84.7 | Confident | 132 Ų | 132 | 94.5 Ų | 94.5 | 62% | 0.617 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.9 | -44 | 174.5 | -173.8 | 174.1 | -171.5 | 0 | 0 | 111.1 | A136 D137 A142 E143 E144 | A136-E140 PolarHBondContact O-N 3.12Å; D137-E140 PolarHBondContact O-N 3.44Å; E140-A142 VanDerWaalsContact C-N 3.33Å; E140-A142 PolarHBondContact O-N 3.29Å; E140-E143 CarbonylContact O-C 3.56Å; E140-E143 PolarHBondContact O-N 3.5Å; E140-E144 WeakPolarHBondContact O-CB 3.39Å; E140-E144 PolarHBondContact O-N 2.8Å |
| 141 | L | 88 | Confident | 83.3 | Confident | 72 Ų | 72 | 95 Ų | 95 | 38% | 0.377 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.7 | -42.1 | 173.8 | -179 | 64.1 | 0 | 0 | 0 | 111.7 | D137 E143 E144 I145 | D137-L141 WeakPolarHBondContact O-CB 3.48Å; D137-L141 PolarHBondContact O-N 3.26Å; L141-E143 VanDerWaalsContact C-N 3.34Å; L141-E144 PolarHBondContact O-N 2.92Å; L141-I145 HydrophobicContact CD1-CD1 4.12Å; L141-I145 HydrophobicContact CD1-CG1 4.23Å; L141-I145 HydrophobicContact CD2-CD1 4.45Å; L141-I145 HydrophobicContact CG-CD1 3.84Å; L141-I145 HydrophobicContact CG-CG1 4.36Å; L141-I145 WeakPolarHBondContact O-CB 3.27Å; L141-I145 WeakPolarHBondContact O-CG1 3.3Å; L141-I145 PolarHBondContact O-N 3.33Å |
| 142 | A | 83.8 | Confident | 81.9 | Confident | 58 Ų | 58 | 96.2 Ų | 96.2 | 48% | 0.479 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.5 | -40.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q138 Q139 E140 S146 | Q138-A142 WeakPolarHBondContact O-CB 3.48Å; Q138-A142 PolarHBondContact O-N 3.02Å; Q139-A142 PolarHBondContact O-N 3.06Å; E140-A142 VanDerWaalsContact C-N 3.33Å; E140-A142 PolarHBondContact O-N 3.29Å; A142-S146 VanDerWaalsContact O-CB 3.27Å; A142-S146 WeakPolarHBondContact O-CB 3.39Å; A142-S146 PolarHBondContact O-N 3.31Å |
| 143 | E | 86.9 | Confident | 80.4 | Confident | 142 Ų | 142 | 96.6 Ų | 96.6 | 66% | 0.664 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67 | -39 | 172.7 | -73 | -168.3 | 176.7 | 0 | 0 | 112.3 | Q139 E140 L141 S146 T147 | Q139-E143 PolarHBondContact O-N 3.07Å; E140-E143 CarbonylContact O-C 3.56Å; E140-E143 PolarHBondContact O-N 3.5Å; L141-E143 VanDerWaalsContact C-N 3.34Å; E143-S146 PolarHBondContact O-N 2.98Å; E143-T147 VanDerWaalsContact O-CB 3.24Å; E143-T147 WeakPolarHBondContact O-CB 3.46Å; E143-T147 PolarHBondContact O-N 3.43Å; E143-T147 PolarHBondContact O-OG1 3.25Å |
| 144 | E | 84.7 | Confident | 78.5 | Confident | 129 Ų | 129 | 94.9 Ų | 94.9 | 60% | 0.603 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.5 | -42.5 | 176.5 | -170.3 | -179.9 | -175.2 | 0 | 0 | 110.9 | E140 L141 T147 A148 | E140-E144 WeakPolarHBondContact O-CB 3.39Å; E140-E144 PolarHBondContact O-N 2.8Å; L141-E144 PolarHBondContact O-N 2.92Å; E144-T147 CarbonylContact O-C 3.6Å; E144-T147 PolarHBondContact O-N 2.9Å; E144-A148 WeakPolarHBondContact O-CB 3.44Å; E144-A148 PolarHBondContact O-N 3.49Å |
| 145 | I | 81.9 | Confident | 76.5 | Confident | 84 Ų | 84 | 99.5 Ų | 99.5 | 43% | 0.431 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.3 | -47.4 | 173.8 | -70.1 | 168.4 | 0 | 0 | 0 | 109.8 | L141 T147 A148 I149 | L141-I145 HydrophobicContact CD1-CD1 4.12Å; L141-I145 HydrophobicContact CD1-CG1 4.23Å; L141-I145 HydrophobicContact CD2-CD1 4.45Å; L141-I145 HydrophobicContact CG-CD1 3.84Å; L141-I145 HydrophobicContact CG-CG1 4.36Å; L141-I145 WeakPolarHBondContact O-CB 3.27Å; L141-I145 WeakPolarHBondContact O-CG1 3.3Å; L141-I145 PolarHBondContact O-N 3.33Å; I145-T147 VanDerWaalsContact C-N 3.26Å; I145-T147 PolarHBondContact O-N 3.48Å; I145-A148 PolarHBondContact O-N 2.99Å; I145-A148 VanDerWaalsContact O-N 3.15Å; I145-I149 HydrophobicContact CG2-CD1 3.56Å; I145-I149 HydrophobicContact CG2-CG1 4.23Å; I145-I149 WeakPolarHBondContact O-CB 3.44Å; I145-I149 VanDerWaalsContact O-CG1 3.26Å; I145-I149 WeakPolarHBondContact O-CG1 3.37Å; I145-I149 PolarHBondContact O-N 3.09Å |
| 146 | S | 79.5 | Confident | 74.6 | Confident | 74 Ų | 74 | 99.1 Ų | 99.1 | 52% | 0.517 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -58 | -42 | 175.8 | -176 | 0 | 0 | 0 | 0 | 111.1 | A142 E143 S150 | A142-S146 VanDerWaalsContact O-CB 3.27Å; A142-S146 WeakPolarHBondContact O-CB 3.39Å; A142-S146 PolarHBondContact O-N 3.31Å; E143-S146 PolarHBondContact O-N 2.98Å; S146-S150 WeakPolarHBondContact O-CB 3.45Å; S146-S150 PolarHBondContact O-N 3.08Å; S146-S150 PolarHBondContact O-OG 3.48Å |
| 147 | T | 81.5 | Confident | 72.9 | Confident | 66 Ų | 66 | 104.2 Ų | 104.2 | 41% | 0.405 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -68.5 | -38.8 | 175.7 | -59.3 | 0 | 0 | 0 | 0 | 111.9 | E143 E144 I145 S150 K151 | E143-T147 VanDerWaalsContact O-CB 3.24Å; E143-T147 WeakPolarHBondContact O-CB 3.46Å; E143-T147 PolarHBondContact O-N 3.43Å; E143-T147 PolarHBondContact O-OG1 3.25Å; E144-T147 CarbonylContact O-C 3.6Å; E144-T147 PolarHBondContact O-N 2.9Å; I145-T147 VanDerWaalsContact C-N 3.26Å; I145-T147 PolarHBondContact O-N 3.48Å; T147-S150 VanDerWaalsContact CA-OG 3.31Å; T147-S150 WeakPolarHBondContact CA-OG 3.47Å; T147-S150 PolarHBondContact O-OG 2.99Å; T147-K151 VanDerWaalsContact O-CB 3.28Å; T147-K151 WeakPolarHBondContact O-CB 3.4Å; T147-K151 WeakPolarHBondContact O-CG 3.37Å; T147-K151 PolarHBondContact O-N 3Å |
| 148 | A | 74.7 | Confident | 71 | Confident | 50 Ų | 50 | 110 Ų | 110 | 41% | 0.413 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -71.4 | -35.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E144 I145 | E144-A148 WeakPolarHBondContact O-CB 3.44Å; E144-A148 PolarHBondContact O-N 3.49Å; I145-A148 PolarHBondContact O-N 2.99Å; I145-A148 VanDerWaalsContact O-N 3.15Å |
| 149 | I | 72.2 | Confident | 69.7 | Low | 137 Ų | 137 | 110 Ų | 110 | 70% | 0.703 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -76.9 | -37.7 | 174.5 | -65.1 | 173.6 | 0 | 0 | 0 | 110.6 | I145 | I145-I149 HydrophobicContact CG2-CD1 3.56Å; I145-I149 HydrophobicContact CG2-CG1 4.23Å; I145-I149 WeakPolarHBondContact O-CB 3.44Å; I145-I149 VanDerWaalsContact O-CG1 3.26Å; I145-I149 WeakPolarHBondContact O-CG1 3.37Å; I145-I149 PolarHBondContact O-N 3.09Å |
| 150 | S | 71.2 | Confident | 69 | Low | 81 Ų | 81 | 108.2 Ų | 108.2 | 57% | 0.566 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -79.6 | -19.8 | 177.4 | 63.6 | 0 | 0 | 0 | 0 | 113.9 | S146 T147 P152 | S146-S150 WeakPolarHBondContact O-CB 3.45Å; S146-S150 PolarHBondContact O-N 3.08Å; S146-S150 PolarHBondContact O-OG 3.48Å; T147-S150 VanDerWaalsContact CA-OG 3.31Å; T147-S150 WeakPolarHBondContact CA-OG 3.47Å; T147-S150 PolarHBondContact O-OG 2.99Å; S150-P152 WeakPolarHBondContact O-CD 3.29Å; S150-P152 VanDerWaalsContact O-N 3.08Å |
| 151 | K | 55.6 | Low | 68.2 | Low | 133 Ų | 133 | 109.4 Ų | 109.4 | 58% | 0.578 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -57.1 | 113.1 | 166.7 | -90.8 | 171.2 | -174.6 | 170.6 | 0 | 106.5 | T147 V153 | T147-K151 VanDerWaalsContact O-CB 3.28Å; T147-K151 WeakPolarHBondContact O-CB 3.4Å; T147-K151 WeakPolarHBondContact O-CG 3.37Å; T147-K151 PolarHBondContact O-N 3Å; K151-V153 PolarHBondContact O-N 3.14Å |
| 152 | P | 54.1 | Low | 67.8 | Low | 127 Ų | 127 | 111.9 Ų | 111.9 | 83% | 0.825 | 62% | 0.624 | S | S | * | * | trans | -63.8 | 101 | -175.5 | -18 | 30.3 | 0 | 0 | 0 | 108.7 | S150 G154 | S150-P152 WeakPolarHBondContact O-CD 3.29Å; S150-P152 VanDerWaalsContact O-N 3.08Å; P152-G154 PolarHBondContact O-N 3.03Å | ||
| 153 | V | 55.1 | Low | 67.8 | Low | 120 Ų | 120 | 115.5 Ų | 115.5 | 73% | 0.727 | 63% | 0.631 | S | S | * | * | trans | -79.4 | 73.9 | 168.7 | -169.3 | 0 | 0 | 0 | 0 | 106.5 | K151 F155 | K151-V153 PolarHBondContact O-N 3.14Å; V153-F155 PolarHBondContact O-N 3.28Å | ||
| 154 | G | 51.6 | Low | 67.6 | Low | 72 Ų | 72 | 112.5 Ų | 112.5 | 74% | 0.742 | 62% | 0.619 | S | S | * | * | S | Bend | trans | 49.3 | 13.3 | 155 | 0 | 0 | 0 | 0 | 0 | 119.4 | P152 | P152-G154 PolarHBondContact O-N 3.03Š|
| 155 | F | 48.1 | Very low | 67.3 | Low | 183 Ų | 183 | 111.5 Ų | 111.5 | 80% | 0.803 | 62% | 0.616 | S | S | * | * | trans | -135.2 | 71 | 175 | -72.2 | -83.3 | 0 | 0 | 0 | 104.6 | V153 E157 | V153-F155 PolarHBondContact O-N 3.28Å; F155-E157 PolarHBondContact O-N 3.1Å | ||
| 156 | G | 50.6 | Low | 67.5 | Low | 64 Ų | 64 | 110.2 Ų | 110.2 | 66% | 0.66 | 62% | 0.617 | S | S | * | * | trans | -58.8 | 103.7 | 147.7 | 0 | 0 | 0 | 0 | 0 | 103.8 | E158 | G156-E158 PolarHBondContact O-N 3.28Š| ||
| 157 | E | 51.7 | Low | 67.7 | Low | 148 Ų | 148 | 112 Ų | 112 | 69% | 0.692 | 62% | 0.617 | S | S | * | * | trans | -62.7 | 96.9 | 160.1 | -80 | -177.4 | 152.6 | 0 | 0 | 104.4 | F155 F159 | F155-E157 PolarHBondContact O-N 3.1Å; E157-F159 HydrophobicContact CB-CD2 3.84Å; E157-F159 HydrophobicContact CB-CE2 3.5Å; E157-F159 VanDerWaalsContact CB-CE2 3.5Å; E157-F159 HydrophobicContact CB-CZ 4.17Å; E157-F159 HydrophobicContact CG-CE2 4.28Å; E157-F159 PolarHBondContact O-N 2.74Å; E157-F159 WeakPolarHBondContact OE2-CE2 3.25Å | ||
| 158 | E | 52.5 | Low | 67.8 | Low | 191 Ų | 191 | 113.3 Ų | 113.3 | 89% | 0.893 | 62% | 0.622 | S | S | * | * | trans | -63.8 | 71 | 166.2 | -63.9 | 175.1 | 175.5 | 0 | 0 | 106.6 | G156 D160 | G156-E158 PolarHBondContact O-N 3.28Å; E158-D160 PolarHBondContact O-N 3.12Å | ||
| 159 | F | 63.1 | Low | 68.2 | Low | 121 Ų | 121 | 117.2 Ų | 117.2 | 53% | 0.531 | 63% | 0.631 | S | S | . | * | trans | -67.6 | 120 | 156.9 | -65.6 | -73.9 | 0 | 0 | 0 | 105.5 | E157 E161 L164 | E157-F159 HydrophobicContact CB-CD2 3.84Å; E157-F159 HydrophobicContact CB-CE2 3.5Å; E157-F159 VanDerWaalsContact CB-CE2 3.5Å; E157-F159 HydrophobicContact CB-CZ 4.17Å; E157-F159 HydrophobicContact CG-CE2 4.28Å; E157-F159 PolarHBondContact O-N 2.74Å; E157-F159 WeakPolarHBondContact OE2-CE2 3.25Å; F159-E161 PolarHBondContact O-N 3.12Å; F159-E161 VanDerWaalsContact O-N 3.11Å; F159-L164 HydrophobicContact CB-CD1 3.56Å; F159-L164 HydrophobicContact CB-CD2 4.37Å; F159-L164 HydrophobicContact CB-CG 3.96Å; F159-L164 HydrophobicContact CG-CD1 4.37Å | ||
| 160 | D | 72.6 | Confident | 68.9 | Low | 88 Ų | 88 | 116.7 Ų | 116.7 | 47% | 0.471 | 63% | 0.626 | S | S | . | * | trans | -60 | 116 | 173.1 | -169.2 | -16.3 | 0 | 0 | 0 | 107 | E158 D162 E163 L164 | E158-D160 PolarHBondContact O-N 3.12Å; D160-D162 PolarHBondContact O-N 3.35Å; D160-D162 VanDerWaalsContact O-N 3.12Å; D160-D162 WeakPolarHBondContact OD1-CB 3.41Å; D160-D162 PolarHBondContact OD1-N 3.18Å; D160-E163 HydrophobicContact CB-CB 3.93Å; D160-E163 WeakPolarHBondContact O-CB 3.26Å; D160-E163 PolarHBondContact O-N 2.58Å; D160-L164 PolarHBondContact O-N 2.81Å | ||
| 161 | E | 73 | Confident | 69.4 | Low | 157 Ų | 157 | 117.2 Ų | 117.2 | 73% | 0.734 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -55.6 | -29 | 177.7 | -76 | -176.6 | 167.6 | 0 | 0 | 110.5 | F159 M165 | F159-E161 PolarHBondContact O-N 3.12Å; F159-E161 VanDerWaalsContact O-N 3.11Å; E161-M165 VanDerWaalsContact O-CB 3.28Å; E161-M165 WeakPolarHBondContact O-CB 3.38Å; E161-M165 WeakPolarHBondContact O-CG 3.35Å; E161-M165 PolarHBondContact O-N 3.38Å |
| 162 | D | 80.1 | Confident | 70.6 | Confident | 124 Ų | 124 | 116.3 Ų | 116.3 | 66% | 0.663 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -71.2 | -34.6 | 176.3 | -66.5 | -24.6 | 0 | 0 | 0 | 112.1 | D160 A166 | D160-D162 PolarHBondContact O-N 3.35Å; D160-D162 VanDerWaalsContact O-N 3.12Å; D160-D162 WeakPolarHBondContact OD1-CB 3.41Å; D160-D162 PolarHBondContact OD1-N 3.18Å; D162-A166 WeakPolarHBondContact O-CB 3.43Å; D162-A166 PolarHBondContact O-N 3.36Å; D162-A166 VanDerWaalsContact O-N 3.13Å |
| 163 | E | 83.7 | Confident | 71.8 | Confident | 135 Ų | 135 | 115.3 Ų | 115.3 | 63% | 0.631 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -70.8 | -43.1 | 174.9 | -175.2 | 173.3 | -168.5 | 0 | 0 | 110.9 | D160 A166 E167 | D160-E163 HydrophobicContact CB-CB 3.93Å; D160-E163 WeakPolarHBondContact O-CB 3.26Å; D160-E163 PolarHBondContact O-N 2.58Å; E163-A166 PolarHBondContact O-N 3.1Å; E163-E167 PolarHBondContact O-N 2.88Å |
| 164 | L | 82.2 | Confident | 73.1 | Confident | 79 Ų | 79 | 115.1 Ų | 115.1 | 41% | 0.414 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -65.4 | -38.8 | 176 | -69.8 | 177.4 | 0 | 0 | 0 | 112.5 | F159 D160 A166 E167 L168 | F159-L164 HydrophobicContact CB-CD1 3.56Å; F159-L164 HydrophobicContact CB-CD2 4.37Å; F159-L164 HydrophobicContact CB-CG 3.96Å; F159-L164 HydrophobicContact CG-CD1 4.37Å; D160-L164 PolarHBondContact O-N 2.81Å; L164-A166 VanDerWaalsContact C-N 3.33Å; L164-E167 PolarHBondContact O-N 3.33Å; L164-L168 VanDerWaalsContact O-CB 3.27Å; L164-L168 WeakPolarHBondContact O-CB 3.35Å; L164-L168 PolarHBondContact O-N 2.9Å |
| 165 | M | 78.9 | Confident | 74.3 | Confident | 108 Ų | 108 | 117.5 Ų | 117.5 | 53% | 0.532 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.4 | -40.9 | 174.7 | -76.7 | -94 | -69.3 | 0 | 0 | 111.2 | E161 L168 E169 | E161-M165 VanDerWaalsContact O-CB 3.28Å; E161-M165 WeakPolarHBondContact O-CB 3.38Å; E161-M165 WeakPolarHBondContact O-CG 3.35Å; E161-M165 PolarHBondContact O-N 3.38Å; M165-L168 PolarHBondContact O-N 3.47Å; M165-E169 WeakPolarHBondContact O-CB 3.35Å; M165-E169 WeakPolarHBondContact O-CG 3.44Å; M165-E169 PolarHBondContact O-N 3.4Å |
| 166 | A | 85 | Confident | 75.7 | Confident | 56 Ų | 56 | 114.1 Ų | 114.1 | 46% | 0.463 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66 | -42.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D162 E163 L164 E169 E170 | D162-A166 WeakPolarHBondContact O-CB 3.43Å; D162-A166 PolarHBondContact O-N 3.36Å; D162-A166 VanDerWaalsContact O-N 3.13Å; E163-A166 PolarHBondContact O-N 3.1Å; L164-A166 VanDerWaalsContact C-N 3.33Å; A166-E169 PolarHBondContact O-N 3.36Å; A166-E170 PolarHBondContact O-N 2.98Å |
| 167 | E | 85.2 | Confident | 76.9 | Confident | 111 Ų | 111 | 115.2 Ų | 115.2 | 52% | 0.519 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.5 | -37.1 | 175.8 | -170.8 | 176.3 | -172.5 | 0 | 0 | 111.6 | E163 L164 E170 L171 | E163-E167 PolarHBondContact O-N 2.88Å; L164-E167 PolarHBondContact O-N 3.33Å; E167-E170 PolarHBondContact O-N 3.35Å; E167-L171 WeakPolarHBondContact O-CG 3.38Å; E167-L171 PolarHBondContact O-N 3.12Å |
| 168 | L | 81.9 | Confident | 77.9 | Confident | 95 Ų | 95 | 114 Ų | 114 | 50% | 0.497 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.4 | -44 | 175.1 | -171.8 | 71.5 | 0 | 0 | 0 | 111.7 | L164 M165 E170 L171 E172 | L164-L168 VanDerWaalsContact O-CB 3.27Å; L164-L168 WeakPolarHBondContact O-CB 3.35Å; L164-L168 PolarHBondContact O-N 2.9Å; M165-L168 PolarHBondContact O-N 3.47Å; L168-E170 VanDerWaalsContact C-N 3.28Å; L168-E170 PolarHBondContact O-N 2.83Å; L168-L171 PolarHBondContact O-N 3Å; L168-E172 WeakPolarHBondContact O-CG 3.49Å; L168-E172 PolarHBondContact O-N 2.9Å |
| 169 | E | 84.6 | Confident | 78.6 | Confident | 131 Ų | 131 | 108.4 Ų | 108.4 | 61% | 0.612 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60.7 | -37.1 | 174.5 | -77 | -179.6 | -176.6 | 0 | 0 | 111.7 | M165 A166 Q173 | M165-E169 WeakPolarHBondContact O-CB 3.35Å; M165-E169 WeakPolarHBondContact O-CG 3.44Å; M165-E169 PolarHBondContact O-N 3.4Å; A166-E169 PolarHBondContact O-N 3.36Å; E169-Q173 WeakPolarHBondContact O-CB 3.31Å; E169-Q173 PolarHBondContact O-N 2.99Å |
| 170 | E | 86 | Confident | 78.6 | Confident | 127 Ų | 127 | 109 Ų | 109 | 59% | 0.593 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.8 | -44.6 | 175.5 | -170.2 | 166.8 | -159.4 | 0 | 0 | 111.8 | A166 E167 L168 Q173 E174 | A166-E170 PolarHBondContact O-N 2.98Å; E167-E170 PolarHBondContact O-N 3.35Å; L168-E170 VanDerWaalsContact C-N 3.28Å; L168-E170 PolarHBondContact O-N 2.83Å; E170-Q173 WeakPolarHBondContact O-CB 3.38Å; E170-Q173 PolarHBondContact O-N 3.34Å; E170-E174 WeakPolarHBondContact O-CG 3.42Å; E170-E174 PolarHBondContact O-N 2.89Å |
| 171 | L | 81.8 | Confident | 77.9 | Confident | 91 Ų | 91 | 111.3 Ų | 111.3 | 48% | 0.476 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66 | -40.4 | 177.3 | -73.3 | 172.9 | 0 | 0 | 0 | 113.2 | E167 L168 Q173 E174 E175 | E167-L171 WeakPolarHBondContact O-CG 3.38Å; E167-L171 PolarHBondContact O-N 3.12Å; L168-L171 PolarHBondContact O-N 3Å; L171-Q173 VanDerWaalsContact C-N 3.26Å; L171-Q173 PolarHBondContact O-N 2.89Å; L171-E174 PolarHBondContact O-N 3.02Å; L171-E175 WeakPolarHBondContact O-CB 3.25Å; L171-E175 PolarHBondContact O-N 3.21Å |
| 172 | E | 80.3 | Confident | 77.1 | Confident | 115 Ų | 115 | 109.6 Ų | 109.6 | 54% | 0.537 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.5 | -38 | 174.8 | -76.3 | -173.2 | 172.3 | 0 | 0 | 111.1 | L168 L176 | L168-E172 WeakPolarHBondContact O-CG 3.49Å; L168-E172 PolarHBondContact O-N 2.9Å; E172-L176 WeakPolarHBondContact O-CB 3.41Å; E172-L176 WeakPolarHBondContact O-CD1 3.3Å; E172-L176 WeakPolarHBondContact O-CG 3.48Å; E172-L176 PolarHBondContact O-N 2.93Å |
| 173 | Q | 80.3 | Confident | 75.8 | Confident | 105 Ų | 105 | 111 Ų | 111 | 49% | 0.491 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.3 | -42.9 | 175.6 | -171.7 | 60.5 | 47 | 0 | 0 | 111.9 | E169 E170 L171 E175 L176 D177 | E169-Q173 WeakPolarHBondContact O-CB 3.31Å; E169-Q173 PolarHBondContact O-N 2.99Å; E170-Q173 WeakPolarHBondContact O-CB 3.38Å; E170-Q173 PolarHBondContact O-N 3.34Å; L171-Q173 VanDerWaalsContact C-N 3.26Å; L171-Q173 PolarHBondContact O-N 2.89Å; Q173-E175 PolarHBondContact O-N 3.02Å; Q173-L176 PolarHBondContact O-N 3.27Å; Q173-D177 PolarHBondContact NE2-OD1 2.98Å; Q173-D177 WeakPolarHBondContact O-CB 3.4Å; Q173-D177 VanDerWaalsContact O-CG 3.31Å; Q173-D177 PolarHBondContact O-N 3.4Å |
| 174 | E | 80.8 | Confident | 73.9 | Confident | 116 Ų | 116 | 109.5 Ų | 109.5 | 54% | 0.542 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.1 | -40.6 | 175.1 | -73.6 | -170.2 | 169.9 | 0 | 0 | 112.5 | E170 L171 D177 K178 | E170-E174 WeakPolarHBondContact O-CG 3.42Å; E170-E174 PolarHBondContact O-N 2.89Å; L171-E174 PolarHBondContact O-N 3.02Å; E174-D177 PolarHBondContact O-N 2.99Å; E174-K178 WeakPolarHBondContact O-CB 3.49Å; E174-K178 PolarHBondContact O-N 2.93Å |
| 175 | E | 78.7 | Confident | 72.1 | Confident | 123 Ų | 123 | 108.5 Ų | 108.5 | 58% | 0.575 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -69.6 | -39.5 | 177.9 | -178 | 166.6 | -165.6 | 0 | 0 | 111.9 | L171 Q173 D177 K178 N179 | L171-E175 WeakPolarHBondContact O-CB 3.25Å; L171-E175 PolarHBondContact O-N 3.21Å; Q173-E175 PolarHBondContact O-N 3.02Å; E175-D177 VanDerWaalsContact C-N 3.32Å; E175-D177 PolarHBondContact O-N 3.34Å; E175-K178 PolarHBondContact O-N 3.42Å; E175-N179 VanDerWaalsContact CG-ND2 3.33Å; E175-N179 WeakPolarHBondContact CG-ND2 3.41Å; E175-N179 WeakPolarHBondContact O-CB 3.44Å; E175-N179 PolarHBondContact O-N 2.99Å; E175-N179 PolarHBondContact O-ND2 3.28Å |
| 176 | L | 75.6 | Confident | 70.6 | Confident | 111 Ų | 111 | 109.4 Ų | 109.4 | 58% | 0.581 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -58.6 | -44.7 | 170.7 | -83 | 163.3 | 0 | 0 | 0 | 111.3 | E172 Q173 L180 | E172-L176 WeakPolarHBondContact O-CB 3.41Å; E172-L176 WeakPolarHBondContact O-CD1 3.3Å; E172-L176 WeakPolarHBondContact O-CG 3.48Å; E172-L176 PolarHBondContact O-N 2.93Å; Q173-L176 PolarHBondContact O-N 3.27Å; L176-L180 WeakPolarHBondContact O-CB 3.37Å; L176-L180 PolarHBondContact O-N 3.34Å; L176-L180 VanDerWaalsContact O-N 3.09Å |
| 177 | D | 76.4 | Confident | 68.3 | Low | 88 Ų | 88 | 115.3 Ų | 115.3 | 47% | 0.471 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65.1 | -39.7 | 178 | -75.2 | -6.4 | 0 | 0 | 0 | 111.7 | Q173 E174 E175 L181 | Q173-D177 PolarHBondContact NE2-OD1 2.98Å; Q173-D177 WeakPolarHBondContact O-CB 3.4Å; Q173-D177 VanDerWaalsContact O-CG 3.31Å; Q173-D177 PolarHBondContact O-N 3.4Å; E174-D177 PolarHBondContact O-N 2.99Å; E175-D177 VanDerWaalsContact C-N 3.32Å; E175-D177 PolarHBondContact O-N 3.34Å; D177-L181 PolarHBondContact O-N 2.93Å |
| 178 | K | 73.7 | Confident | 66.2 | Low | 121 Ų | 121 | 116.4 Ų | 116.4 | 53% | 0.526 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -69.5 | -46.2 | 177.6 | -176.5 | -177.5 | 169.3 | -169 | 0 | 112.7 | E174 E175 L180 L181 E182 | E174-K178 WeakPolarHBondContact O-CB 3.49Å; E174-K178 PolarHBondContact O-N 2.93Å; E175-K178 PolarHBondContact O-N 3.42Å; K178-L180 VanDerWaalsContact C-N 3.26Å; K178-L180 PolarHBondContact O-N 3.03Å; K178-L181 CarbonylContact O-C 3.57Å; K178-L181 WeakPolarHBondContact O-CA 3.44Å; K178-L181 VanDerWaalsContact O-CB 3.29Å; K178-L181 WeakPolarHBondContact O-CB 3.25Å; K178-L181 PolarHBondContact O-N 3.41Å; K178-E182 WeakPolarHBondContact CE-OE1 3.37Å; K178-E182 HydrophobicContact CG-CG 4.47Å; K178-E182 IonicContact NZ-OE1 3.74Å; K178-E182 PolarHBondContact O-N 2.86Å |
| 179 | N | 67.4 | Low | 64.1 | Low | 74 Ų | 74 | 118.3 Ų | 118.3 | 40% | 0.396 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -63.9 | -33.6 | 178.5 | -78.9 | -40.5 | 0 | 0 | 0 | 111.6 | E175 L181 E182 I183 | E175-N179 VanDerWaalsContact CG-ND2 3.33Å; E175-N179 WeakPolarHBondContact CG-ND2 3.41Å; E175-N179 WeakPolarHBondContact O-CB 3.44Å; E175-N179 PolarHBondContact O-N 2.99Å; E175-N179 PolarHBondContact O-ND2 3.28Å; N179-L181 PolarHBondContact O-N 3.33Å; N179-E182 PolarHBondContact O-N 3.16Å; N179-I183 WeakPolarHBondContact O-CG1 3.39Å; N179-I183 PolarHBondContact O-N 3.43Å |
| 180 | L | 62.3 | Low | 62.4 | Low | 133 Ų | 133 | 117.8 Ų | 117.8 | 70% | 0.696 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -63.4 | -31 | 171.7 | -166.5 | 67.1 | 0 | 0 | 0 | 112 | L176 K178 | L176-L180 WeakPolarHBondContact O-CB 3.37Å; L176-L180 PolarHBondContact O-N 3.34Å; L176-L180 VanDerWaalsContact O-N 3.09Å; K178-L180 VanDerWaalsContact C-N 3.26Å; K178-L180 PolarHBondContact O-N 3.03Å |
| 181 | L | 58.6 | Low | 60.3 | Low | 138 Ų | 138 | 119.2 Ų | 119.2 | 72% | 0.723 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -80.3 | -36.8 | 178 | -127.8 | 143.5 | 0 | 0 | 0 | 112.7 | D177 K178 N179 S184 | D177-L181 PolarHBondContact O-N 2.93Å; K178-L181 CarbonylContact O-C 3.57Å; K178-L181 WeakPolarHBondContact O-CA 3.44Å; K178-L181 VanDerWaalsContact O-CB 3.29Å; K178-L181 WeakPolarHBondContact O-CB 3.25Å; K178-L181 PolarHBondContact O-N 3.41Å; N179-L181 PolarHBondContact O-N 3.33Å; L181-S184 WeakPolarHBondContact O-CB 3.48Å; L181-S184 PolarHBondContact O-N 2.89Å |
| 182 | E | 55.6 | Low | 58.5 | Low | 121 Ų | 121 | 121 Ų | 121 | 57% | 0.565 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -76.9 | -26.5 | -176.6 | -73 | -170.4 | 179 | 0 | 0 | 114.5 | K178 N179 S184 G185 | K178-E182 WeakPolarHBondContact CE-OE1 3.37Å; K178-E182 HydrophobicContact CG-CG 4.47Å; K178-E182 IonicContact NZ-OE1 3.74Å; K178-E182 PolarHBondContact O-N 2.86Å; N179-E182 PolarHBondContact O-N 3.16Å; E182-S184 PolarHBondContact O-N 3.48Å; E182-G185 PolarHBondContact O-N 3.43Å |
| 183 | I | 53.9 | Low | 56.9 | Low | 154 Ų | 154 | 123.4 Ų | 123.4 | 79% | 0.79 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | -10.6 | 171 | -64.3 | 171 | 0 | 0 | 0 | 111.7 | N179 | N179-I183 WeakPolarHBondContact O-CG1 3.39Å; N179-I183 PolarHBondContact O-N 3.43Å |
| 184 | S | 43.8 | Very low | 55.2 | Low | 102 Ų | 102 | 124.8 Ų | 124.8 | 71% | 0.713 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | 11 | 177.9 | -58.6 | 0 | 0 | 0 | 0 | 115.1 | L181 E182 | L181-S184 WeakPolarHBondContact O-CB 3.48Å; L181-S184 PolarHBondContact O-N 2.89Å; E182-S184 PolarHBondContact O-N 3.48Å |
| 185 | G | 43.3 | Very low | 53.4 | Low | 58 Ų | 58 | 125.4 Ų | 125.4 | 60% | 0.598 | 71% | 0.71 | S | S | * | * | trans | -96.9 | 126.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | E182 | E182-G185 PolarHBondContact O-N 3.43Š| ||
| 186 | P | 46.5 | Very low | 51.8 | Low | 127 Ų | 127 | 125.5 Ų | 125.5 | 83% | 0.825 | 72% | 0.724 | S | S | * | * | trans | -90.1 | 136.3 | -159.9 | 34.3 | -33.5 | 0 | 0 | 0 | 115.6 | ||||
| 187 | E | 38.6 | Very low | 50 | Low | 181 Ų | 181 | 127.5 Ų | 127.5 | 85% | 0.846 | 73% | 0.734 | S | S | * | * | trans | -45.6 | 132 | 163.2 | -56.1 | 178.1 | 154.4 | 0 | 0 | 112.8 | ||||
| 188 | T | 40.8 | Very low | 48 | Very low | 134 Ų | 134 | 128.3 Ų | 128.3 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | trans | -162.2 | 100.1 | 142.3 | 45 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 189 | V | 36.9 | Very low | 46.7 | Very low | 135 Ų | 135 | 130 Ų | 130 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -93.7 | 117 | 167.2 | -169.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 190 | P | 48.7 | Very low | 45.3 | Very low | 119 Ų | 119 | 132 Ų | 132 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -102.1 | 112.3 | 179 | 7.2 | 13.7 | 0 | 0 | 0 | 111.7 | ||||
| 191 | L | 41.6 | Very low | 44.2 | Very low | 157 Ų | 157 | 131.7 Ų | 131.7 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | trans | -102.8 | 133.4 | 169 | -73.2 | 162.6 | 0 | 0 | 0 | 110 | ||||
| 192 | P | 45 | Very low | 43.2 | Very low | 128 Ų | 128 | 134.4 Ų | 134.4 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | trans | -104.4 | 147.7 | 174 | 25 | -10 | 0 | 0 | 0 | 114.2 | ||||
| 193 | N | 47.3 | Very low | 42.7 | Very low | 167 Ų | 167 | 134.3 Ų | 134.3 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 147.7 | -161.9 | -74.9 | -29 | 0 | 0 | 0 | 116.2 | ||
| 194 | V | 43.6 | Very low | 42.3 | Very low | 134 Ų | 134 | 132.2 Ų | 132.2 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 148.5 | 169.9 | -74.3 | 0 | 0 | 0 | 0 | 112.9 | ||
| 195 | P | 43.7 | Very low | 42.2 | Very low | 128 Ų | 128 | 136.3 Ų | 136.3 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 135.3 | -173 | -6.3 | 25.6 | 0 | 0 | 0 | 113.6 | ||
| 196 | S | 44.5 | Very low | 42.4 | Very low | 125 Ų | 125 | 141 Ų | 141 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | trans | -83.2 | 115 | -178.9 | -73.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 197 | I | 37.1 | Very low | 42.7 | Very low | 154 Ų | 154 | 143.6 Ų | 143.6 | 79% | 0.79 | 82% | 0.821 | S | S | * | * | trans | -122.6 | 116.5 | 158.8 | -69.4 | 171.8 | 0 | 0 | 0 | 107.6 | L199 | I197-L199 PolarHBondContact O-N 2.78Š| ||
| 198 | A | 35.1 | Very low | 43.5 | Very low | 104 Ų | 104 | 142.5 Ų | 142.5 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | -71.2 | 118.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 199 | L | 46.2 | Very low | 44.3 | Very low | 157 Ų | 157 | 142.7 Ų | 142.7 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | trans | -106 | 143.3 | 172.1 | -78.3 | 163.2 | 0 | 0 | 0 | 110.4 | I197 | I197-L199 PolarHBondContact O-N 2.78Š| ||
| 200 | P | 38.9 | Very low | 45.3 | Very low | 117 Ų | 117 | 142.8 Ų | 142.8 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | trans | -73.5 | 139 | -170.9 | -8.7 | 25.2 | 0 | 0 | 0 | 112.5 | K202 | P200-K202 PolarHBondContact O-N 3.06Š| ||
| 201 | S | 37.7 | Very low | 46.4 | Very low | 125 Ų | 125 | 142.1 Ų | 142.1 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | -54.4 | 115.1 | -178.8 | 51.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 202 | K | 38 | Very low | 48.1 | Very low | 196 Ų | 196 | 139.9 Ų | 139.9 | 85% | 0.852 | 78% | 0.778 | S | S | * | * | trans | -100.2 | 138.7 | 166.6 | -167 | 173.9 | -178.9 | -176 | 0 | 109.1 | P200 | P200-K202 PolarHBondContact O-N 3.06Š| ||
| 203 | P | 45.2 | Very low | 49.8 | Very low | 119 Ų | 119 | 138.4 Ų | 138.4 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | trans | -74.5 | 132.3 | -165.1 | -0.4 | 14.8 | 0 | 0 | 0 | 111.9 | K205 | P203-K205 PolarHBondContact O-N 2.82Å; P203-K205 VanDerWaalsContact O-N 3.16Å | ||
| 204 | A | 46.3 | Very low | 51.2 | Low | 109 Ų | 109 | 136.1 Ų | 136.1 | 90% | 0.901 | 75% | 0.748 | S | S | * | * | trans | -68.3 | 102.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 205 | K | 41.5 | Very low | 53.1 | Low | 188 Ų | 188 | 135.5 Ų | 135.5 | 82% | 0.817 | 74% | 0.735 | S | S | * | * | trans | -133.3 | 79.6 | 166.3 | -149.9 | -176.3 | -170.6 | -168.8 | 0 | 107.3 | P203 | P203-K205 PolarHBondContact O-N 2.82Å; P203-K205 VanDerWaalsContact O-N 3.16Å | ||
| 206 | K | 46.8 | Very low | 55 | Low | 158 Ų | 158 | 136.2 Ų | 136.2 | 69% | 0.687 | 73% | 0.727 | S | S | * | * | trans | -156.7 | 10.9 | 173.6 | -121 | -174.2 | -177.5 | -158.7 | 0 | 116.1 | ||||
| 207 | K | 54.2 | Low | 56.5 | Low | 180 Ų | 180 | 135.9 Ų | 135.9 | 78% | 0.783 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -94.6 | -15.2 | 176 | -94.9 | -173.5 | 171.8 | -172.1 | 0 | 114.8 | ||
| 208 | E | 54.6 | Low | 58.8 | Low | 158 Ų | 158 | 134.6 Ų | 134.6 | 74% | 0.738 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -83.2 | -26.7 | 177.9 | -82.4 | 176.2 | 154.7 | 0 | 0 | 113.2 | D212 | E208-D212 PolarHBondContact O-N 3.5Å |
| 209 | E | 56.8 | Low | 61.2 | Low | 139 Ų | 139 | 135.5 Ų | 135.5 | 65% | 0.65 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -73.5 | -40 | -179.8 | -111.9 | 174.6 | 173.8 | 0 | 0 | 112.3 | D212 D213 | E209-D212 PolarHBondContact O-N 3.49Å; E209-D213 PolarHBondContact O-N 3.05Å |
| 210 | E | 58.4 | Low | 63 | Low | 137 Ų | 137 | 135.6 Ų | 135.6 | 64% | 0.64 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -71.8 | -31.3 | -179.7 | -71.3 | 178.9 | 173.9 | 0 | 0 | 113 | M214 | E210-M214 WeakPolarHBondContact O-CB 3.49Å; E210-M214 PolarHBondContact O-N 3.13Å; E210-M214 VanDerWaalsContact O-N 3.14Å |
| 211 | D | 71.6 | Confident | 64.9 | Low | 104 Ų | 104 | 133 Ų | 133 | 56% | 0.556 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -71.8 | -31.8 | 177.4 | -85.9 | -5.8 | 0 | 0 | 0 | 112.2 | K215 | D211-K215 WeakPolarHBondContact O-CG 3.44Å; D211-K215 PolarHBondContact O-N 3.09Å |
| 212 | D | 78.6 | Confident | 66.6 | Low | 111 Ų | 111 | 130.4 Ų | 130.4 | 59% | 0.594 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -73.6 | -44.5 | 175.7 | -99.9 | -5 | 0 | 0 | 0 | 111.1 | E208 E209 M214 K215 E216 | E208-D212 PolarHBondContact O-N 3.5Å; E209-D212 PolarHBondContact O-N 3.49Å; D212-M214 VanDerWaalsContact C-N 3.31Å; D212-M214 PolarHBondContact O-N 2.9Å; D212-K215 PolarHBondContact O-N 3.43Å; D212-E216 PolarHBondContact O-N 3.46Å |
| 213 | D | 79.8 | Confident | 68.1 | Low | 97 Ų | 97 | 125.5 Ų | 125.5 | 52% | 0.519 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -61.5 | -39.1 | 178.3 | -69.8 | -15.4 | 0 | 0 | 0 | 111.8 | E209 E216 L217 | E209-D213 PolarHBondContact O-N 3.05Å; D213-E216 PolarHBondContact O-N 3.36Å; D213-L217 PolarHBondContact O-N 2.88Å; D213-L217 VanDerWaalsContact O-N 3.15Å |
| 214 | M | 77.7 | Confident | 68.3 | Low | 119 Ų | 119 | 128.9 Ų | 128.9 | 59% | 0.586 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -69.3 | -39.1 | 178.8 | -173.4 | 153.8 | -74.1 | 0 | 0 | 112.4 | E210 D212 E216 L217 E218 | E210-M214 WeakPolarHBondContact O-CB 3.49Å; E210-M214 PolarHBondContact O-N 3.13Å; E210-M214 VanDerWaalsContact O-N 3.14Å; D212-M214 VanDerWaalsContact C-N 3.31Å; D212-M214 PolarHBondContact O-N 2.9Å; M214-E216 VanDerWaalsContact C-N 3.35Å; M214-L217 PolarHBondContact O-N 3.35Å; M214-E218 WeakPolarHBondContact O-CG 3.44Å; M214-E218 PolarHBondContact O-N 3.46Å |
| 215 | K | 83.5 | Confident | 69.4 | Low | 120 Ų | 120 | 129.9 Ų | 129.9 | 52% | 0.522 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -67.1 | -36.1 | 175.4 | -78.3 | 174.2 | -175.2 | 162.2 | 0 | 112.6 | D211 D212 L217 E218 N219 | D211-K215 WeakPolarHBondContact O-CG 3.44Å; D211-K215 PolarHBondContact O-N 3.09Å; D212-K215 PolarHBondContact O-N 3.43Å; K215-L217 VanDerWaalsContact C-N 3.32Å; K215-E218 PolarHBondContact O-N 2.91Å; K215-N219 PolarHBondContact O-N 3.07Å; K215-N219 VanDerWaalsContact O-N 3.15Å; K215-N219 PolarHBondContact O-ND2 3.4Å |
| 216 | E | 82.3 | Confident | 70.9 | Confident | 144 Ų | 144 | 126.8 Ų | 126.8 | 67% | 0.673 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -65.1 | -39.3 | 175.9 | -163.9 | 171.1 | -168.1 | 0 | 0 | 111 | D212 D213 M214 W220 | D212-E216 PolarHBondContact O-N 3.46Å; D213-E216 PolarHBondContact O-N 3.36Å; M214-E216 VanDerWaalsContact C-N 3.35Å; E216-W220 PolarHBondContact O-N 3.12Å |
| 217 | L | 75.9 | Confident | 72.2 | Confident | 118 Ų | 118 | 125.1 Ų | 125.1 | 62% | 0.618 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -65.4 | -42.2 | 174.2 | -81.6 | 165.6 | 0 | 0 | 0 | 113.5 | D213 M214 K215 W220 A221 | D213-L217 PolarHBondContact O-N 2.88Å; D213-L217 VanDerWaalsContact O-N 3.15Å; M214-L217 PolarHBondContact O-N 3.35Å; K215-L217 VanDerWaalsContact C-N 3.32Å; L217-W220 PolarHBondContact O-N 3.28Å; L217-A221 PolarHBondContact O-N 3.49Å; L217-A221 VanDerWaalsContact O-N 3.09Å |
| 218 | E | 85 | Confident | 73.3 | Confident | 127 Ų | 127 | 121.8 Ų | 121.8 | 59% | 0.593 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -64.1 | -42.4 | 178.5 | -74.6 | -178.8 | 171.1 | 0 | 0 | 112.2 | M214 K215 W220 A221 G222 | M214-E218 WeakPolarHBondContact O-CG 3.44Å; M214-E218 PolarHBondContact O-N 3.46Å; K215-E218 PolarHBondContact O-N 2.91Å; E218-W220 VanDerWaalsContact C-N 3.3Å; E218-W220 PolarHBondContact O-N 3.29Å; E218-A221 PolarHBondContact O-N 3.34Å; E218-G222 PolarHBondContact O-N 3.03Å; E218-G222 VanDerWaalsContact O-N 3.09Å |
| 219 | N | 87.1 | Confident | 74.4 | Confident | 123 Ų | 123 | 119.6 Ų | 119.6 | 66% | 0.658 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -65.2 | -35.2 | 177.7 | -73.9 | -29.7 | 0 | 0 | 0 | 112.4 | K215 | K215-N219 PolarHBondContact O-N 3.07Å; K215-N219 VanDerWaalsContact O-N 3.15Å; K215-N219 PolarHBondContact O-ND2 3.4Å |
| 220 | W | 84.3 | Confident | 75.6 | Confident | 159 Ų | 159 | 118.3 Ų | 118.3 | 60% | 0.602 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -67 | -46.5 | 176.3 | -175.6 | 79.9 | 0 | 0 | 0 | 111.4 | E216 L217 E218 G222 S223 M224 | E216-W220 PolarHBondContact O-N 3.12Å; L217-W220 PolarHBondContact O-N 3.28Å; E218-W220 VanDerWaalsContact C-N 3.3Å; E218-W220 PolarHBondContact O-N 3.29Å; W220-G222 PolarHBondContact O-N 3.2Å; W220-S223 PolarHBondContact O-N 3.22Å; W220-S223 PolarHBondContact O-OG 3.16Å; W220-M224 HydrophobicContact CH2-CE 3.74Å; W220-M224 HydrophobicContact CH2-SD 4.2Å; W220-M224 HydrophobicContact CZ2-CE 3.35Å; W220-M224 HydrophobicContact CZ2-SD 4.33Å |
| 221 | A | 78.4 | Confident | 76.8 | Confident | 62 Ų | 62 | 116.9 Ų | 116.9 | 51% | 0.512 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -65.5 | -35.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L217 E218 S223 | L217-A221 PolarHBondContact O-N 3.49Å; L217-A221 VanDerWaalsContact O-N 3.09Å; E218-A221 PolarHBondContact O-N 3.34Å; A221-S223 VanDerWaalsContact C-N 3.26Å; A221-S223 PolarHBondContact O-N 3.05Å |
| 222 | G | 72.7 | Confident | 77.2 | Confident | 70 Ų | 70 | 117.9 Ų | 117.9 | 72% | 0.722 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -6.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | E218 W220 | E218-G222 PolarHBondContact O-N 3.03Å; E218-G222 VanDerWaalsContact O-N 3.09Å; W220-G222 PolarHBondContact O-N 3.2Å |
| 223 | S | 68.6 | Low | 77.1 | Confident | 93 Ų | 93 | 118.5 Ų | 118.5 | 65% | 0.65 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | -0.8 | 179.9 | 75.2 | 0 | 0 | 0 | 0 | 114.8 | W220 A221 | W220-S223 PolarHBondContact O-N 3.22Å; W220-S223 PolarHBondContact O-OG 3.16Å; A221-S223 VanDerWaalsContact C-N 3.26Å; A221-S223 PolarHBondContact O-N 3.05Å |
| 224 | M | 50.2 | Low | 76.9 | Confident | 190 Ų | 190 | 120.5 Ų | 120.5 | 94% | 0.936 | 64% | 0.643 | S | S | * | * | trans | -92.1 | 0 | 167.6 | -75.4 | -168.7 | 171.8 | 0 | 0 | 110.8 | W220 | W220-M224 HydrophobicContact CH2-CE 3.74Å; W220-M224 HydrophobicContact CH2-SD 4.2Å; W220-M224 HydrophobicContact CZ2-CE 3.35Å; W220-M224 HydrophobicContact CZ2-SD 4.33Å |
Retrieved 224 of 224 residues in 215.8 ms
(Link to these results)