| 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 | 64.7 | Low | 85.8 | Confident | 245 Ų | 245 | 145.1 Ų | 145.1 | 100% | 1.207 | 70% | 0.7 | S | S | * | * | 0 | 129.9 | 0 | -61.8 | -175.3 | -158.9 | 0 | 0 | 108.9 | |||||
| 2 | A | 82.1 | Confident | 86.6 | Confident | 103 Ų | 103 | 139.8 Ų | 139.8 | 85% | 0.851 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 135.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | K4 | A2-K4 PolarHBondContact O-N 3.08Š|
| 3 | R | 85.6 | Confident | 87.4 | Confident | 213 Ų | 213 | 136.1 Ų | 136.1 | 80% | 0.804 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 128.9 | 177 | -167.2 | -179.8 | -165.9 | -125.5 | 4.5 | 108.9 | ||
| 4 | K | 88 | Confident | 88 | Confident | 190 Ų | 190 | 131.6 Ų | 131.6 | 83% | 0.826 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 139.3 | 173.3 | -67.6 | -174.9 | 179.5 | -177.5 | 0 | 110.2 | A2 V6 | A2-K4 PolarHBondContact O-N 3.08Å; K4-V6 PolarHBondContact O-N 3.07Å |
| 5 | K | 87.5 | Confident | 88.5 | Confident | 204 Ų | 204 | 128.1 Ų | 128.1 | 89% | 0.887 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 127.4 | 173.1 | -174.6 | 176.9 | 179.7 | -177.9 | 0 | 108.8 | ||
| 6 | V | 88 | Confident | 89 | Confident | 62 Ų | 62 | 124.5 Ų | 124.5 | 38% | 0.376 | 64% | 0.64 | S | S | . | * | P | Polyproline II helix | trans | -87.7 | 128.7 | 178.8 | -179.8 | 0 | 0 | 0 | 0 | 108.9 | K4 L8 | K4-V6 PolarHBondContact O-N 3.07Å; V6-L8 PolarHBondContact O-N 3.39Å |
| 7 | T | 88 | Confident | 89.4 | Confident | 96 Ų | 96 | 120.2 Ų | 120.2 | 59% | 0.589 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 120.4 | 171.5 | -49.3 | 0 | 0 | 0 | 0 | 109.5 | Q9 | T7-Q9 VanDerWaalsContact C-N 3.33Å; T7-Q9 HydrophobicContact CG2-CB 4.31Å; T7-Q9 HydrophobicContact CG2-CG 3.82Å; T7-Q9 PolarHBondContact O-N 3.27Å; T7-Q9 VanDerWaalsContact O-N 3.16Å |
| 8 | L | 85.7 | Confident | 89.7 | Confident | 99 Ų | 99 | 121.4 Ų | 121.4 | 52% | 0.518 | 61% | 0.609 | S | S | . | * | trans | -89.1 | 71.9 | -179.8 | -61.6 | -179.5 | 0 | 0 | 0 | 110.4 | V6 R94 | V6-L8 PolarHBondContact O-N 3.39Å; L8-R94 PolarHBondContact O-NH1 3.23Å; L8-R94 PolarHBondContact O-NH2 3.32Å | ||
| 9 | Q | 89.4 | Confident | 90 | Very high | 144 Ų | 144 | 118.2 Ų | 118.2 | 67% | 0.673 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -131.4 | 169.1 | 175.9 | 69.1 | -172.5 | 11 | 0 | 0 | 110.6 | T7 I11 | T7-Q9 VanDerWaalsContact C-N 3.33Å; T7-Q9 HydrophobicContact CG2-CB 4.31Å; T7-Q9 HydrophobicContact CG2-CG 3.82Å; T7-Q9 PolarHBondContact O-N 3.27Å; T7-Q9 VanDerWaalsContact O-N 3.16Å; Q9-I11 PolarHBondContact O-N 3.06Å |
| 10 | W | 90.5 | Very high | 90.3 | Very high | 195 Ų | 195 | 114 Ų | 114 | 74% | 0.739 | 58% | 0.584 | S | S | * | * | trans | -57.1 | 133 | 172.3 | -178.5 | -108.1 | 0 | 0 | 0 | 110.8 | ||||
| 11 | I | 93.9 | Very high | 90.5 | Very high | 45 Ų | 45 | 111.9 Ų | 111.9 | 23% | 0.231 | 57% | 0.57 | C | S | . | * | trans | -92.2 | 104.7 | 177.7 | -58.5 | 174.5 | 0 | 0 | 0 | 107.3 | Q9 N13 T16 R17 T20 | Q9-I11 PolarHBondContact O-N 3.06Å; I11-N13 PolarHBondContact O-N 2.82Å; I11-T16 HydrophobicContact CG2-CG2 3.99Å; I11-R17 HydrophobicContact CB-CB 3.9Å; I11-R17 HydrophobicContact CB-CG 4.14Å; I11-R17 HydrophobicContact CG2-CB 3.93Å; I11-R17 WeakPolarHBondContact O-CD 3.45Å; I11-R17 PolarHBondContact O-NH1 2.73Å; I11-T20 HydrophobicContact CD1-CG2 3.8Å | ||
| 12 | A | 96.2 | Very high | 92 | Very high | 81 Ų | 81 | 106.7 Ų | 106.7 | 67% | 0.669 | 54% | 0.541 | S | S | * | . | trans | -61.7 | -42.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D14 R17 | A12-D14 PolarHBondContact O-N 2.94Å; A12-R17 PolarHBondContact O-NH1 3.32Å | ||
| 13 | N | 96.2 | Very high | 92.6 | Very high | 92 Ų | 92 | 109.5 Ų | 109.5 | 49% | 0.492 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -69.7 | 115.1 | 178.3 | -177.8 | -76.5 | 0 | 0 | 0 | 111.5 | I11 S15 T16 R17 | I11-N13 PolarHBondContact O-N 2.82Å; N13-S15 PolarHBondContact O-N 3.27Å; N13-S15 PolarHBondContact OD1-N 3.15Å; N13-T16 PolarHBondContact O-N 3.28Å; N13-T16 WeakPolarHBondContact OD1-CB 3.24Å; N13-T16 PolarHBondContact OD1-N 3.33Å; N13-T16 PolarHBondContact OD1-OG1 3.22Å; N13-R17 WeakPolarHBondContact O-CB 3.25Å; N13-R17 PolarHBondContact O-N 3.04Å |
| 14 | D | 95.9 | Very high | 93.1 | Very high | 74 Ų | 74 | 105.2 Ų | 105.2 | 40% | 0.396 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.6 | -45.7 | -176.8 | -80.4 | 14.3 | 0 | 0 | 0 | 114.6 | A12 T16 R17 R18 | A12-D14 PolarHBondContact O-N 2.94Å; D14-T16 VanDerWaalsContact C-N 3.35Å; D14-T16 PolarHBondContact O-N 3.27Å; D14-R17 VanDerWaalsContact CG-NH2 3.32Å; D14-R17 PolarHBondContact O-N 2.9Å; D14-R17 IonicContact OD1-CZ 2.75Å; D14-R17 IonicContact OD1-NH1 2.93Å; D14-R17 PolarHBondContact OD1-NH1 3.08Å; D14-R17 IonicContact OD1-NH2 3.92Å; D14-R17 PolarHBondContact OD1-NH2 3.21Å; D14-R17 IonicContact OD2-NH2 2.81Å; D14-R18 WeakPolarHBondContact O-CB 3.46Å; D14-R18 WeakPolarHBondContact O-CG 3.37Å; D14-R18 PolarHBondContact O-N 3.37Å; D14-R18 IonicContact OD2-NH1 2.77Å |
| 15 | S | 96.3 | Very high | 93.6 | Very high | 78 Ų | 78 | 97.9 Ų | 97.9 | 55% | 0.545 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61 | -46.7 | 179.1 | 178.6 | 0 | 0 | 0 | 0 | 110.9 | N13 R17 R18 A19 | N13-S15 PolarHBondContact O-N 3.27Å; N13-S15 PolarHBondContact OD1-N 3.15Å; S15-R17 PolarHBondContact O-N 3.04Å; S15-R18 PolarHBondContact O-N 2.88Å; S15-A19 WeakPolarHBondContact O-CB 3.41Å; S15-A19 PolarHBondContact O-N 3.29Å |
| 16 | T | 95.8 | Very high | 94 | Very high | 71 Ų | 71 | 95.9 Ų | 95.9 | 44% | 0.436 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.6 | -39.4 | 177.8 | -56.3 | 0 | 0 | 0 | 0 | 111.3 | I11 N13 D14 T20 | I11-T16 HydrophobicContact CG2-CG2 3.99Å; N13-T16 PolarHBondContact O-N 3.28Å; N13-T16 WeakPolarHBondContact OD1-CB 3.24Å; N13-T16 PolarHBondContact OD1-N 3.33Å; N13-T16 PolarHBondContact OD1-OG1 3.22Å; D14-T16 VanDerWaalsContact C-N 3.35Å; D14-T16 PolarHBondContact O-N 3.27Å; T16-T20 WeakPolarHBondContact O-CB 3.39Å; T16-T20 PolarHBondContact O-N 2.99Å; T16-T20 PolarHBondContact O-OG1 3.23Å |
| 17 | R | 95.7 | Very high | 94.5 | Very high | 51 Ų | 51 | 94.3 Ų | 94.3 | 19% | 0.192 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -62.6 | -49.6 | 176.4 | -172.3 | 169.9 | 65.4 | -106.8 | 3 | 110.9 | I11 A12 N13 D14 S15 T20 F21 | I11-R17 HydrophobicContact CB-CB 3.9Å; I11-R17 HydrophobicContact CB-CG 4.14Å; I11-R17 HydrophobicContact CG2-CB 3.93Å; I11-R17 WeakPolarHBondContact O-CD 3.45Å; I11-R17 PolarHBondContact O-NH1 2.73Å; A12-R17 PolarHBondContact O-NH1 3.32Å; N13-R17 WeakPolarHBondContact O-CB 3.25Å; N13-R17 PolarHBondContact O-N 3.04Å; D14-R17 VanDerWaalsContact CG-NH2 3.32Å; D14-R17 PolarHBondContact O-N 2.9Å; D14-R17 IonicContact OD1-CZ 2.75Å; D14-R17 IonicContact OD1-NH1 2.93Å; D14-R17 PolarHBondContact OD1-NH1 3.08Å; D14-R17 IonicContact OD1-NH2 3.92Å; D14-R17 PolarHBondContact OD1-NH2 3.21Å; D14-R17 IonicContact OD2-NH2 2.81Å; S15-R17 PolarHBondContact O-N 3.04Å; R17-T20 PolarHBondContact O-N 3.46Å; R17-F21 WeakPolarHBondContact O-CB 3.31Å; R17-F21 PolarHBondContact O-N 3.01Å |
| 18 | R | 95.1 | Very high | 94.9 | Very high | 143 Ų | 143 | 93.8 Ų | 93.8 | 54% | 0.54 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.9 | -46.6 | 177.7 | -72.8 | -173.2 | -73.8 | -101.3 | 3.3 | 112.3 | D14 S15 T20 F21 K22 | D14-R18 WeakPolarHBondContact O-CB 3.46Å; D14-R18 WeakPolarHBondContact O-CG 3.37Å; D14-R18 PolarHBondContact O-N 3.37Å; D14-R18 IonicContact OD2-NH1 2.77Å; S15-R18 PolarHBondContact O-N 2.88Å; R18-T20 VanDerWaalsContact C-N 3.34Å; R18-T20 PolarHBondContact O-N 3.42Å; R18-F21 PolarHBondContact O-N 2.88Å; R18-K22 WeakPolarHBondContact O-CG 3.36Å; R18-K22 PolarHBondContact O-N 3.13Å |
| 19 | A | 95.8 | Very high | 95.5 | Very high | 59 Ų | 59 | 89.8 Ų | 89.8 | 49% | 0.488 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.3 | -42 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S15 K23 | S15-A19 WeakPolarHBondContact O-CB 3.41Å; S15-A19 PolarHBondContact O-N 3.29Å; A19-K23 WeakPolarHBondContact O-CB 3.33Å; A19-K23 PolarHBondContact O-N 3.41Å |
| 20 | T | 95.2 | Very high | 95.9 | Very high | 35 Ų | 35 | 89.3 Ų | 89.3 | 22% | 0.215 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -65.4 | -41.6 | 176.6 | -61.7 | 0 | 0 | 0 | 0 | 111.6 | I11 T16 R17 R18 K23 R24 | I11-T20 HydrophobicContact CD1-CG2 3.8Å; T16-T20 WeakPolarHBondContact O-CB 3.39Å; T16-T20 PolarHBondContact O-N 2.99Å; T16-T20 PolarHBondContact O-OG1 3.23Å; R17-T20 PolarHBondContact O-N 3.46Å; R18-T20 VanDerWaalsContact C-N 3.34Å; R18-T20 PolarHBondContact O-N 3.42Å; T20-K23 PolarHBondContact O-N 2.67Å; T20-R24 HydrophobicContact CG2-CG 4.07Å; T20-R24 VanDerWaalsContact O-CB 3.32Å; T20-R24 WeakPolarHBondContact O-CB 3.47Å; T20-R24 VanDerWaalsContact O-CG 3.28Å; T20-R24 WeakPolarHBondContact O-CG 3.29Å; T20-R24 PolarHBondContact O-N 3.32Å |
| 21 | F | 95.7 | Very high | 96.2 | Very high | 70 Ų | 70 | 87 Ų | 87 | 31% | 0.307 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -58.8 | -53.9 | 175.9 | 175.1 | -104.3 | 0 | 0 | 0 | 110.9 | R17 R18 K23 R24 R25 V47 | R17-F21 WeakPolarHBondContact O-CB 3.31Å; R17-F21 PolarHBondContact O-N 3.01Å; R18-F21 PolarHBondContact O-N 2.88Å; F21-K23 VanDerWaalsContact C-N 3.31Å; F21-K23 PolarHBondContact O-N 3.41Å; F21-R24 PolarHBondContact O-N 2.89Å; F21-R24 VanDerWaalsContact O-N 3.15Å; F21-R25 VanDerWaalsContact CE1-NH1 3.28Å; F21-R25 VanDerWaalsContact O-CB 3.3Å; F21-R25 WeakPolarHBondContact O-CB 3.3Å; F21-R25 PolarHBondContact O-N 3.46Å; F21-V47 HydrophobicContact CE2-CG1 4.01Å; F21-V47 HydrophobicContact CZ-CG1 3.87Å |
| 22 | K | 95.4 | Very high | 96.4 | Very high | 135 Ų | 135 | 85.4 Ų | 85.4 | 59% | 0.587 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -54.5 | -45.5 | 176.7 | -70.1 | -177.8 | 179.7 | -173.5 | 0 | 112.2 | R18 K26 | R18-K22 WeakPolarHBondContact O-CG 3.36Å; R18-K22 PolarHBondContact O-N 3.13Å; K22-K26 PolarHBondContact O-N 3.45Å; K22-K26 VanDerWaalsContact O-N 3.12Å |
| 23 | K | 95.9 | Very high | 96.4 | Very high | 162 Ų | 162 | 83.8 Ų | 83.8 | 70% | 0.704 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -66 | -42.6 | 178.7 | -173.1 | 173.7 | -176.3 | 170.3 | 0 | 112.7 | A19 T20 F21 G27 | A19-K23 WeakPolarHBondContact O-CB 3.33Å; A19-K23 PolarHBondContact O-N 3.41Å; T20-K23 PolarHBondContact O-N 2.67Å; F21-K23 VanDerWaalsContact C-N 3.31Å; F21-K23 PolarHBondContact O-N 3.41Å; K23-G27 PolarHBondContact O-N 3.32Å |
| 24 | R | 96.1 | Very high | 96.5 | Very high | 123 Ų | 123 | 83.6 Ų | 83.6 | 46% | 0.464 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -71.1 | -39 | 179.6 | -74.2 | -176.4 | -172.9 | -174.9 | 7.3 | 111.6 | T20 F21 G27 L28 | T20-R24 HydrophobicContact CG2-CG 4.07Å; T20-R24 VanDerWaalsContact O-CB 3.32Å; T20-R24 WeakPolarHBondContact O-CB 3.47Å; T20-R24 VanDerWaalsContact O-CG 3.28Å; T20-R24 WeakPolarHBondContact O-CG 3.29Å; T20-R24 PolarHBondContact O-N 3.32Å; F21-R24 PolarHBondContact O-N 2.89Å; F21-R24 VanDerWaalsContact O-N 3.15Å; R24-G27 CarbonylContact O-C 3.56Å; R24-G27 PolarHBondContact O-N 2.97Å; R24-L28 WeakPolarHBondContact O-CB 3.44Å; R24-L28 PolarHBondContact O-N 2.93Å |
| 25 | R | 96.8 | Very high | 96.6 | Very high | 36 Ų | 36 | 84.8 Ų | 84.8 | 14% | 0.136 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -58.8 | -53.3 | 175 | -172.4 | 173.5 | 75.2 | -168.1 | 8.2 | 110.9 | F21 G27 L28 M29 V47 E52 E56 | F21-R25 VanDerWaalsContact CE1-NH1 3.28Å; F21-R25 VanDerWaalsContact O-CB 3.3Å; F21-R25 WeakPolarHBondContact O-CB 3.3Å; F21-R25 PolarHBondContact O-N 3.46Å; R25-G27 VanDerWaalsContact C-N 3.28Å; R25-G27 PolarHBondContact O-N 3.09Å; R25-L28 WeakPolarHBondContact O-CB 3.34Å; R25-L28 PolarHBondContact O-N 3.18Å; R25-M29 WeakPolarHBondContact O-CG 3.39Å; R25-M29 PolarHBondContact O-N 3.32Å; R25-V47 HydrophobicContact CG-CB 4.21Å; R25-V47 HydrophobicContact CG-CG1 4.07Å; R25-V47 HydrophobicContact CG-CG2 4.32Å; R25-E52 IonicContact CZ-OE1 3.97Å; R25-E52 IonicContact CZ-OE2 3.85Å; R25-E52 IonicContact NH1-OE1 3.85Å; R25-E52 PolarHBondContact NH1-OE1 2.8Å; R25-E52 IonicContact NH1-OE2 3.68Å; R25-E52 PolarHBondContact NH1-OE2 2.96Å; R25-E52 IonicContact NH2-OE1 2.67Å; R25-E56 IonicContact CZ-OE2 3.82Å; R25-E56 IonicContact NE-OE1 2.68Å; R25-E56 IonicContact NE-OE2 3.14Å; R25-E56 PolarHBondContact NE-OE2 3.1Å; R25-E56 IonicContact NH1-OE2 3.78Å; R25-E56 IonicContact NH2-OE2 2.96Å; R25-E56 PolarHBondContact NH2-OE2 2.93Å |
| 26 | K | 96.9 | Very high | 96.7 | Very high | 162 Ų | 162 | 81.7 Ų | 81.7 | 70% | 0.704 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -57 | -41.4 | 173.9 | -174.6 | 173 | -176.8 | 171 | 0 | 112.7 | K22 L28 K30 | K22-K26 PolarHBondContact O-N 3.45Å; K22-K26 VanDerWaalsContact O-N 3.12Å; K26-L28 VanDerWaalsContact C-N 3.35Å; K26-K30 WeakPolarHBondContact O-CB 3.47Å; K26-K30 PolarHBondContact O-N 3.35Å; K26-K30 VanDerWaalsContact O-N 3.07Å |
| 27 | G | 97.4 | Very high | 96.7 | Very high | 30 Ų | 30 | 83.6 Ų | 83.6 | 31% | 0.309 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -65.7 | -34.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | K23 R24 R25 K31 | K23-G27 PolarHBondContact O-N 3.32Å; R24-G27 CarbonylContact O-C 3.56Å; R24-G27 PolarHBondContact O-N 2.97Å; R25-G27 VanDerWaalsContact C-N 3.28Å; R25-G27 PolarHBondContact O-N 3.09Å; G27-K31 VanDerWaalsContact O-CG 3.29Å; G27-K31 WeakPolarHBondContact O-CG 3.41Å; G27-K31 PolarHBondContact O-N 3.26Å; G27-K31 VanDerWaalsContact O-N 3.13Å |
| 28 | L | 97.5 | Very high | 96.8 | Very high | 84 Ų | 84 | 88.2 Ų | 88.2 | 44% | 0.44 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -68 | -49 | 175.8 | 179.7 | 63.6 | 0 | 0 | 0 | 110.7 | R24 R25 K26 K30 K31 A32 V45 V47 | R24-L28 WeakPolarHBondContact O-CB 3.44Å; R24-L28 PolarHBondContact O-N 2.93Å; R25-L28 WeakPolarHBondContact O-CB 3.34Å; R25-L28 PolarHBondContact O-N 3.18Å; K26-L28 VanDerWaalsContact C-N 3.35Å; L28-K30 VanDerWaalsContact C-N 3.32Å; L28-K30 PolarHBondContact O-N 3.27Å; L28-K31 PolarHBondContact O-N 3.29Å; L28-K31 VanDerWaalsContact O-N 3.15Å; L28-A32 PolarHBondContact O-N 3.21Å; L28-V45 HydrophobicContact CD2-CG1 3.81Å; L28-V45 HydrophobicContact CG-CG1 4.16Å; L28-V47 HydrophobicContact CD2-CG2 4.12Å |
| 29 | M | 97.1 | Very high | 96.9 | Very high | 15 Ų | 15 | 85 Ų | 85 | 7% | 0.074 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -59 | -44.2 | 177.8 | -59.2 | -42.8 | -162.2 | 0 | 0 | 111.5 | R25 K31 A32 S33 V45 V47 E56 W58 | R25-M29 WeakPolarHBondContact O-CG 3.39Å; R25-M29 PolarHBondContact O-N 3.32Å; M29-K31 PolarHBondContact O-N 3.46Å; M29-A32 PolarHBondContact O-N 3.04Å; M29-S33 PolarHBondContact O-N 3.48Å; M29-V45 HydrophobicContact CE-CB 4.29Å; M29-V45 HydrophobicContact CE-CG1 3.97Å; M29-V45 HydrophobicContact SD-CB 3.67Å; M29-V45 HydrophobicContact SD-CG1 3.57Å; M29-V45 VanDerWaalsContact SD-CG1 3.57Å; M29-V45 HydrophobicContact SD-CG2 4.44Å; M29-V47 HydrophobicContact CE-CB 4.37Å; M29-V47 HydrophobicContact CE-CG2 3.82Å; M29-E56 HydrophobicContact CE-CB 4.1Å; M29-E56 HydrophobicContact CE-CG 4.02Å; M29-E56 WeakPolarHBondContact CE-O 3.45Å; M29-W58 HydrophobicContact CB-CB 4.43Å; M29-W58 HydrophobicContact CE-CB 4.24Å; M29-W58 HydrophobicContact CG-CB 4.32Å; M29-W58 HydrophobicContact SD-CB 3.59Å; M29-W58 VanDerWaalsContact SD-CB 3.59Å |
| 30 | K | 97.9 | Very high | 97 | Very high | 135 Ų | 135 | 89.5 Ų | 89.5 | 59% | 0.587 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -58.6 | -45.7 | 175.6 | -179.3 | 173.1 | 171 | 172.5 | 0 | 112.1 | K26 L28 S33 E34 | K26-K30 WeakPolarHBondContact O-CB 3.47Å; K26-K30 PolarHBondContact O-N 3.35Å; K26-K30 VanDerWaalsContact O-N 3.07Å; L28-K30 VanDerWaalsContact C-N 3.32Å; L28-K30 PolarHBondContact O-N 3.27Å; K30-S33 PolarHBondContact O-N 3.44Å; K30-E34 WeakPolarHBondContact CE-OE1 3.36Å; K30-E34 IonicContact NZ-OE1 3.76Å; K30-E34 WeakPolarHBondContact O-CG 3.35Å; K30-E34 PolarHBondContact O-N 2.96Å |
| 31 | K | 98.1 | Very high | 97 | Very high | 146 Ų | 146 | 91 Ų | 91 | 64% | 0.635 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -66.9 | -38 | 179.3 | -76.4 | 180 | 174.1 | -156.3 | 0 | 113 | G27 L28 M29 S33 E34 L35 | G27-K31 VanDerWaalsContact O-CG 3.29Å; G27-K31 WeakPolarHBondContact O-CG 3.41Å; G27-K31 PolarHBondContact O-N 3.26Å; G27-K31 VanDerWaalsContact O-N 3.13Å; L28-K31 PolarHBondContact O-N 3.29Å; L28-K31 VanDerWaalsContact O-N 3.15Å; M29-K31 PolarHBondContact O-N 3.46Å; K31-S33 VanDerWaalsContact C-N 3.33Å; K31-E34 PolarHBondContact O-N 3.06Å; K31-L35 VanDerWaalsContact O-CB 3.31Å; K31-L35 WeakPolarHBondContact O-CB 3.32Å; K31-L35 PolarHBondContact O-N 3.46Å |
| 32 | A | 97.3 | Very high | 97 | Very high | 12 Ų | 12 | 92.3 Ų | 92.3 | 10% | 0.099 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -62.9 | -43.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | L28 M29 L35 A36 V45 W58 | L28-A32 PolarHBondContact O-N 3.21Å; M29-A32 PolarHBondContact O-N 3.04Å; A32-L35 PolarHBondContact O-N 3.44Å; A32-A36 WeakPolarHBondContact O-CB 3.39Å; A32-A36 PolarHBondContact O-N 3.02Å; A32-V45 HydrophobicContact CB-CG2 3.52Å; A32-W58 HydrophobicContact CB-CD2 4.32Å; A32-W58 HydrophobicContact CB-CE3 3.72Å; A32-W58 HydrophobicContact CB-CZ3 3.83Å |
| 33 | S | 97.4 | Very high | 97 | Very high | 47 Ų | 47 | 87.2 Ų | 87.2 | 33% | 0.329 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.9 | -48 | 173.4 | -172.4 | 0 | 0 | 0 | 0 | 112.9 | M29 K30 K31 L35 A36 T37 | M29-S33 PolarHBondContact O-N 3.48Å; K30-S33 PolarHBondContact O-N 3.44Å; K31-S33 VanDerWaalsContact C-N 3.33Å; S33-L35 VanDerWaalsContact C-N 3.34Å; S33-L35 PolarHBondContact O-N 3.39Å; S33-A36 PolarHBondContact O-N 3.46Å; S33-T37 WeakPolarHBondContact O-CB 3.26Å; S33-T37 PolarHBondContact O-N 3.16Å; S33-T37 PolarHBondContact O-OG1 2.92Å |
| 34 | E | 98.4 | Very high | 97 | Very high | 88 Ų | 88 | 81.3 Ų | 81.3 | 41% | 0.411 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.6 | -43.8 | 177.7 | -73.1 | 170.7 | 175.7 | 0 | 0 | 111.4 | K30 K31 T37 L38 | K30-E34 WeakPolarHBondContact CE-OE1 3.36Å; K30-E34 IonicContact NZ-OE1 3.76Å; K30-E34 WeakPolarHBondContact O-CG 3.35Å; K30-E34 PolarHBondContact O-N 2.96Å; K31-E34 PolarHBondContact O-N 3.06Å; E34-T37 PolarHBondContact O-N 3.45Å; E34-L38 VanDerWaalsContact O-CB 3.28Å; E34-L38 WeakPolarHBondContact O-CB 3.25Å; E34-L38 WeakPolarHBondContact O-CG 3.34Å; E34-L38 PolarHBondContact O-N 3.34Å |
| 35 | L | 97.6 | Very high | 97.1 | Very high | 98 Ų | 98 | 76.7 Ų | 76.7 | 51% | 0.513 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.6 | -48.1 | 178.8 | -178.8 | 66.8 | 0 | 0 | 0 | 111.9 | K31 A32 S33 T37 L38 C39 | K31-L35 VanDerWaalsContact O-CB 3.31Å; K31-L35 WeakPolarHBondContact O-CB 3.32Å; K31-L35 PolarHBondContact O-N 3.46Å; A32-L35 PolarHBondContact O-N 3.44Å; S33-L35 VanDerWaalsContact C-N 3.34Å; S33-L35 PolarHBondContact O-N 3.39Å; L35-T37 VanDerWaalsContact C-N 3.32Å; L35-T37 PolarHBondContact O-N 3.07Å; L35-L38 PolarHBondContact O-N 3.18Å; L35-C39 WeakPolarHBondContact O-CB 3.37Å; L35-C39 PolarHBondContact O-N 3Å |
| 36 | A | 96.9 | Very high | 97 | Very high | 14 Ų | 14 | 77.1 Ų | 77.1 | 12% | 0.116 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -60.7 | -42.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A32 S33 D40 V41 A43 W58 | A32-A36 WeakPolarHBondContact O-CB 3.39Å; A32-A36 PolarHBondContact O-N 3.02Å; S33-A36 PolarHBondContact O-N 3.46Å; A36-D40 VanDerWaalsContact O-CA 3.27Å; A36-D40 WeakPolarHBondContact O-CA 3.48Å; A36-D40 PolarHBondContact O-N 3.01Å; A36-V41 WeakPolarHBondContact CB-O 3.34Å; A36-V41 PolarHBondContact O-N 3.29Å; A36-A43 HydrophobicContact CB-CB 4.41Å; A36-W58 HydrophobicContact CB-CH2 3.59Å; A36-W58 HydrophobicContact CB-CZ2 4.45Å; A36-W58 HydrophobicContact CB-CZ3 4.43Å |
| 37 | T | 96.4 | Very high | 97 | Very high | 111 Ų | 111 | 70.4 Ų | 70.4 | 68% | 0.681 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -69.9 | -43.3 | 178 | -58.8 | 0 | 0 | 0 | 0 | 112.7 | S33 E34 L35 | S33-T37 WeakPolarHBondContact O-CB 3.26Å; S33-T37 PolarHBondContact O-N 3.16Å; S33-T37 PolarHBondContact O-OG1 2.92Å; E34-T37 PolarHBondContact O-N 3.45Å; L35-T37 VanDerWaalsContact C-N 3.32Å; L35-T37 PolarHBondContact O-N 3.07Å |
| 38 | L | 98.1 | Very high | 96.8 | Very high | 147 Ų | 147 | 74 Ų | 74 | 77% | 0.77 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -73.6 | -30.3 | -175.9 | -72.8 | 173.8 | 0 | 0 | 0 | 113.2 | E34 L35 | E34-L38 VanDerWaalsContact O-CB 3.28Å; E34-L38 WeakPolarHBondContact O-CB 3.25Å; E34-L38 WeakPolarHBondContact O-CG 3.34Å; E34-L38 PolarHBondContact O-N 3.34Å; L35-L38 PolarHBondContact O-N 3.18Å |
| 39 | C | 97.8 | Very high | 96.6 | Very high | 77 Ų | 77 | 70.5 Ų | 70.5 | 52% | 0.52 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -106.1 | -0.9 | -177 | -61.9 | 0 | 0 | 0 | 0 | 113.5 | L35 V41 | L35-C39 WeakPolarHBondContact O-CB 3.37Å; L35-C39 PolarHBondContact O-N 3Å; C39-V41 VanDerWaalsContact C-N 3.3Å; C39-V41 HydrophobicContact CB-CG1 3.96Å; C39-V41 HydrophobicContact CB-CG2 4.09Å; C39-V41 WeakPolarHBondContact O-CG1 3.23Å; C39-V41 PolarHBondContact O-N 3.46Å |
| 40 | D | 96.9 | Very high | 96.2 | Very high | 153 Ų | 153 | 77.6 Ų | 77.6 | 82% | 0.818 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 51.4 | -174.2 | -165.4 | 33.4 | 0 | 0 | 0 | 112 | A36 | A36-D40 VanDerWaalsContact O-CA 3.27Å; A36-D40 WeakPolarHBondContact O-CA 3.48Å; A36-D40 PolarHBondContact O-N 3.01Å |
| 41 | V | 95.8 | Very high | 95.7 | Very high | 67 Ų | 67 | 75 Ų | 75 | 41% | 0.406 | 43% | 0.433 | S | S | . | . | trans | -117.3 | 139.9 | -177.8 | -63.8 | 0 | 0 | 0 | 0 | 111.8 | A36 C39 A43 | A36-V41 WeakPolarHBondContact CB-O 3.34Å; A36-V41 PolarHBondContact O-N 3.29Å; C39-V41 VanDerWaalsContact C-N 3.3Å; C39-V41 HydrophobicContact CB-CG1 3.96Å; C39-V41 HydrophobicContact CB-CG2 4.09Å; C39-V41 WeakPolarHBondContact O-CG1 3.23Å; C39-V41 PolarHBondContact O-N 3.46Å; V41-A43 PolarHBondContact O-N 3.26Å | ||
| 42 | D | 94.9 | Very high | 95.3 | Very high | 96 Ų | 96 | 71.5 Ų | 71.5 | 51% | 0.513 | 42% | 0.419 | S | S | . | . | trans | -69.1 | 119.9 | 169.9 | -71.6 | -35.9 | 0 | 0 | 0 | 110.2 | V68 R71 | D42-V68 HydrophobicContact CB-CG2 4.09Å; D42-R71 IonicContact OD2-NH1 2.9Å; D42-R71 PolarHBondContact OD2-NH1 3.38Å | ||
| 43 | A | 95.7 | Very high | 95 | Very high | 28 Ų | 28 | 75.1 Ų | 75.1 | 23% | 0.231 | 44% | 0.443 | C | S | . | . | trans | -143.5 | 153 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | A36 V41 W58 | A36-A43 HydrophobicContact CB-CB 4.41Å; V41-A43 PolarHBondContact O-N 3.26Å; A43-W58 HydrophobicContact CB-CZ3 4.05Å; A43-W58 VanDerWaalsContact O-CZ3 3.29Å; A43-W58 WeakPolarHBondContact O-CZ3 3.34Å | ||
| 44 | C | 96.8 | Very high | 94.7 | Very high | 38 Ų | 38 | 77 Ų | 77 | 26% | 0.257 | 45% | 0.447 | S | S | . | . | trans | -143.1 | 154.5 | 171.6 | 63.2 | 0 | 0 | 0 | 0 | 110.1 | W58 A65 V68 L69 | C44-W58 CarbonylContact C-O 3.57Å; C44-W58 WeakPolarHBondContact CA-O 3.21Å; C44-W58 WeakPolarHBondContact CB-O 3.49Å; C44-A65 HydrophobicContact CB-CB 4.06Å; C44-V68 HydrophobicContact CB-CB 4.25Å; C44-V68 HydrophobicContact CB-CG1 4.34Å; C44-L69 HydrophobicContact CB-CD1 4.32Å; C44-L69 WeakPolarHBondContact SG-CD1 3.12Å | ||
| 45 | V | 97 | Very high | 94.5 | Very high | 26 Ų | 26 | 73.6 Ų | 73.6 | 16% | 0.158 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 132.8 | 175 | -178.2 | 0 | 0 | 0 | 0 | 108.6 | L28 M29 A32 V47 V57 W58 | L28-V45 HydrophobicContact CD2-CG1 3.81Å; L28-V45 HydrophobicContact CG-CG1 4.16Å; M29-V45 HydrophobicContact CE-CB 4.29Å; M29-V45 HydrophobicContact CE-CG1 3.97Å; M29-V45 HydrophobicContact SD-CB 3.67Å; M29-V45 HydrophobicContact SD-CG1 3.57Å; M29-V45 VanDerWaalsContact SD-CG1 3.57Å; M29-V45 HydrophobicContact SD-CG2 4.44Å; A32-V45 HydrophobicContact CB-CG2 3.52Å; V45-V47 HydrophobicContact CG1-CG2 3.75Å; V45-V57 CarbonylContact O-C 3.6Å; V45-V57 WeakPolarHBondContact O-CA 3.31Å; V45-W58 HydrophobicContact CB-CB 4.46Å; V45-W58 HydrophobicContact CG2-CE3 4.35Å; V45-W58 PolarHBondContact N-O 3.38Å; V45-W58 PolarHBondContact O-N 2.95Å |
| 46 | V | 96 | Very high | 94.3 | Very high | 45 Ų | 45 | 72.3 Ų | 72.3 | 27% | 0.273 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 121.9 | 174.6 | -177.7 | 0 | 0 | 0 | 0 | 107.5 | Y48 P55 V57 | V46-Y48 HydrophobicContact CG1-CD2 4.45Å; V46-Y48 HydrophobicContact CG1-CE2 3.77Å; V46-P55 HydrophobicContact CG1-CB 3.76Å; V46-P55 HydrophobicContact CG1-CG 4.03Å; V46-V57 HydrophobicContact CG1-CG2 4.31Å; V46-V57 HydrophobicContact CG2-CG1 4.33Å; V46-V57 HydrophobicContact CG2-CG2 4.31Å |
| 47 | V | 95.6 | Very high | 94.3 | Very high | 22 Ų | 22 | 72.5 Ų | 72.5 | 13% | 0.133 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 121 | -179.2 | -174.5 | 0 | 0 | 0 | 0 | 110.3 | F21 R25 L28 M29 V45 P55 E56 | F21-V47 HydrophobicContact CE2-CG1 4.01Å; F21-V47 HydrophobicContact CZ-CG1 3.87Å; R25-V47 HydrophobicContact CG-CB 4.21Å; R25-V47 HydrophobicContact CG-CG1 4.07Å; R25-V47 HydrophobicContact CG-CG2 4.32Å; L28-V47 HydrophobicContact CD2-CG2 4.12Å; M29-V47 HydrophobicContact CE-CB 4.37Å; M29-V47 HydrophobicContact CE-CG2 3.82Å; V45-V47 HydrophobicContact CG1-CG2 3.75Å; V47-P55 CarbonylContact O-C 3.49Å; V47-P55 VanDerWaalsContact O-CA 3.27Å; V47-P55 WeakPolarHBondContact O-CA 3.35Å; V47-P55 WeakPolarHBondContact O-CB 3.4Å; V47-E56 PolarHBondContact N-O 2.85Å; V47-E56 PolarHBondContact O-N 3.11Å |
| 48 | Y | 94.6 | Very high | 94.3 | Very high | 106 Ų | 106 | 69.1 Ų | 69.1 | 42% | 0.416 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -88.8 | 130.9 | 169.5 | -63.5 | -90.8 | 0 | 0 | 0 | 109.8 | V46 P55 A228 | V46-Y48 HydrophobicContact CG1-CD2 4.45Å; V46-Y48 HydrophobicContact CG1-CE2 3.77Å; Y48-P55 HydrophobicContact CD1-CB 3.79Å; Y48-P55 HydrophobicContact CD1-CG 4.29Å; Y48-P55 HydrophobicContact CD2-CB 4.37Å; Y48-P55 HydrophobicContact CE1-CB 3.7Å; Y48-P55 HydrophobicContact CE1-CG 3.72Å; Y48-P55 HydrophobicContact CE2-CB 4.28Å; Y48-P55 HydrophobicContact CG-CB 4.12Å; Y48-A228 HydrophobicContact CE1-CB 4.35Å; Y48-A228 WeakPolarHBondContact OH-CB 3.43Å |
| 49 | G | 91.9 | Very high | 94.2 | Very high | 10 Ų | 10 | 63 Ų | 63 | 10% | 0.103 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -98 | 147.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | G51 E52 | G49-G51 PolarHBondContact O-N 3.43Å; G49-E52 WeakPolarHBondContact CA-OE2 3.28Å; G49-E52 PolarHBondContact N-OE2 2.89Å; G49-E52 PolarHBondContact O-N 3.19Å; G49-E52 VanDerWaalsContact O-N 3.09Å |
| 50 | D | 88.5 | Confident | 94 | Very high | 164 Ų | 164 | 66.4 Ų | 66.4 | 88% | 0.877 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 125.6 | 171.7 | -174 | 23.1 | 0 | 0 | 0 | 110.2 | E52 | D50-E52 VanDerWaalsContact C-N 3.26Å; D50-E52 PolarHBondContact O-N 2.88Å |
| 51 | G | 87.1 | Confident | 93.8 | Very high | 81 Ų | 81 | 63.6 Ų | 63.6 | 84% | 0.835 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | 3.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | G49 | G49-G51 PolarHBondContact O-N 3.43Š|
| 52 | E | 90.2 | Very high | 93.7 | Very high | 72 Ų | 72 | 63.2 Ų | 63.2 | 34% | 0.336 | 36% | 0.363 | S | S | . | . | trans | -90.7 | 129.5 | 176.2 | -62.8 | 179.8 | 171.9 | 0 | 0 | 110.2 | R25 G49 D50 | R25-E52 IonicContact CZ-OE1 3.97Å; R25-E52 IonicContact CZ-OE2 3.85Å; R25-E52 IonicContact NH1-OE1 3.85Å; R25-E52 PolarHBondContact NH1-OE1 2.8Å; R25-E52 IonicContact NH1-OE2 3.68Å; R25-E52 PolarHBondContact NH1-OE2 2.96Å; R25-E52 IonicContact NH2-OE1 2.67Å; G49-E52 WeakPolarHBondContact CA-OE2 3.28Å; G49-E52 PolarHBondContact N-OE2 2.89Å; G49-E52 PolarHBondContact O-N 3.19Å; G49-E52 VanDerWaalsContact O-N 3.09Å; D50-E52 VanDerWaalsContact C-N 3.26Å; D50-E52 PolarHBondContact O-N 2.88Å | ||
| 53 | S | 90.7 | Very high | 93.6 | Very high | 87 Ų | 87 | 61.9 Ų | 61.9 | 61% | 0.608 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -77.7 | -23.3 | -179.9 | 56.3 | 0 | 0 | 0 | 0 | 113.5 | ||
| 54 | Q | 91.9 | Very high | 93.6 | Very high | 88 Ų | 88 | 65.3 Ų | 65.3 | 41% | 0.411 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -127.4 | 137.5 | -179.4 | -65.4 | -179.6 | -8.4 | 0 | 0 | 109.1 | ||
| 55 | P | 93.7 | Very high | 93.5 | Very high | 16 Ų | 16 | 63.5 Ų | 63.5 | 10% | 0.104 | 36% | 0.363 | C | S | . | . | trans | -72.9 | 152 | 174.2 | 31.2 | -32.4 | 0 | 0 | 0 | 110.6 | V46 V47 Y48 V57 L224 | V46-P55 HydrophobicContact CG1-CB 3.76Å; V46-P55 HydrophobicContact CG1-CG 4.03Å; V47-P55 CarbonylContact O-C 3.49Å; V47-P55 VanDerWaalsContact O-CA 3.27Å; V47-P55 WeakPolarHBondContact O-CA 3.35Å; V47-P55 WeakPolarHBondContact O-CB 3.4Å; Y48-P55 HydrophobicContact CD1-CB 3.79Å; Y48-P55 HydrophobicContact CD1-CG 4.29Å; Y48-P55 HydrophobicContact CD2-CB 4.37Å; Y48-P55 HydrophobicContact CE1-CB 3.7Å; Y48-P55 HydrophobicContact CE1-CG 3.72Å; Y48-P55 HydrophobicContact CE2-CB 4.28Å; Y48-P55 HydrophobicContact CG-CB 4.12Å; P55-V57 HydrophobicContact CG-CG2 4.24Å; P55-L224 HydrophobicContact CG-CD1 3.63Å; P55-L224 HydrophobicContact CG-CD2 4.35Å; P55-L224 HydrophobicContact CG-CG 4.32Å | ||
| 56 | E | 94.2 | Very high | 93.4 | Very high | 71 Ų | 71 | 63.8 Ų | 63.8 | 33% | 0.332 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 126 | 164.6 | -163 | 174.5 | 125.5 | 0 | 0 | 108.2 | R25 M29 V47 | R25-E56 IonicContact CZ-OE2 3.82Å; R25-E56 IonicContact NE-OE1 2.68Å; R25-E56 IonicContact NE-OE2 3.14Å; R25-E56 PolarHBondContact NE-OE2 3.1Å; R25-E56 IonicContact NH1-OE2 3.78Å; R25-E56 IonicContact NH2-OE2 2.96Å; R25-E56 PolarHBondContact NH2-OE2 2.93Å; M29-E56 HydrophobicContact CE-CB 4.1Å; M29-E56 HydrophobicContact CE-CG 4.02Å; M29-E56 WeakPolarHBondContact CE-O 3.45Å; V47-E56 PolarHBondContact N-O 2.85Å; V47-E56 PolarHBondContact O-N 3.11Å |
| 57 | V | 96.2 | Very high | 93.5 | Very high | 18 Ų | 18 | 68 Ų | 68 | 11% | 0.109 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 136.2 | -177.5 | -177.8 | 0 | 0 | 0 | 0 | 109.1 | V45 V46 P55 A65 | V45-V57 CarbonylContact O-C 3.6Å; V45-V57 WeakPolarHBondContact O-CA 3.31Å; V46-V57 HydrophobicContact CG1-CG2 4.31Å; V46-V57 HydrophobicContact CG2-CG1 4.33Å; V46-V57 HydrophobicContact CG2-CG2 4.31Å; P55-V57 HydrophobicContact CG-CG2 4.24Å; V57-A65 HydrophobicContact CG1-CB 3.59Å |
| 58 | W | 97.3 | Very high | 93.5 | Very high | 40 Ų | 40 | 68.1 Ų | 68.1 | 15% | 0.152 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 136.8 | 167 | 179 | 86 | 0 | 0 | 0 | 109.1 | M29 A32 A36 A43 C44 V45 | M29-W58 HydrophobicContact CB-CB 4.43Å; M29-W58 HydrophobicContact CE-CB 4.24Å; M29-W58 HydrophobicContact CG-CB 4.32Å; M29-W58 HydrophobicContact SD-CB 3.59Å; M29-W58 VanDerWaalsContact SD-CB 3.59Å; A32-W58 HydrophobicContact CB-CD2 4.32Å; A32-W58 HydrophobicContact CB-CE3 3.72Å; A32-W58 HydrophobicContact CB-CZ3 3.83Å; A36-W58 HydrophobicContact CB-CH2 3.59Å; A36-W58 HydrophobicContact CB-CZ2 4.45Å; A36-W58 HydrophobicContact CB-CZ3 4.43Å; A43-W58 HydrophobicContact CB-CZ3 4.05Å; A43-W58 VanDerWaalsContact O-CZ3 3.29Å; A43-W58 WeakPolarHBondContact O-CZ3 3.34Å; C44-W58 CarbonylContact C-O 3.57Å; C44-W58 WeakPolarHBondContact CA-O 3.21Å; C44-W58 WeakPolarHBondContact CB-O 3.49Å; V45-W58 HydrophobicContact CB-CB 4.46Å; V45-W58 HydrophobicContact CG2-CE3 4.35Å; V45-W58 PolarHBondContact N-O 3.38Å; V45-W58 PolarHBondContact O-N 2.95Å |
| 59 | P | 95.8 | Very high | 93.5 | Very high | 18 Ų | 18 | 64.5 Ų | 64.5 | 12% | 0.117 | 37% | 0.373 | C | S | . | . | S | Bend | cis | -61.7 | 159.5 | -4.6 | -22.9 | 35.4 | 0 | 0 | 0 | 114 | D61 K64 | P59-D61 CarbonylContact O-C 3.53Å; P59-D61 PolarHBondContact O-N 2.97Å; P59-K64 HydrophobicContact CG-CD 4.16Å; P59-K64 HydrophobicContact CG-CG 4.39Å |
| 60 | D | 92.7 | Very high | 93.7 | Very high | 148 Ų | 148 | 66.8 Ų | 66.8 | 79% | 0.791 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -60.4 | -28.1 | 177.8 | -60.6 | -20.9 | 0 | 0 | 0 | 111.7 | V62 | D60-V62 PolarHBondContact O-N 3.29Š|
| 61 | D | 93.1 | Very high | 94.1 | Very high | 94 Ų | 94 | 66.6 Ų | 66.6 | 50% | 0.503 | 38% | 0.378 | S | S | . | . | trans | -70.9 | 95.9 | 166 | -177.1 | -0.2 | 0 | 0 | 0 | 110.2 | P59 A63 K64 A65 | P59-D61 CarbonylContact O-C 3.53Å; P59-D61 PolarHBondContact O-N 2.97Å; D61-A63 PolarHBondContact O-N 2.93Å; D61-A63 VanDerWaalsContact OD1-CB 3.3Å; D61-A63 WeakPolarHBondContact OD1-CB 3.38Å; D61-A63 PolarHBondContact OD1-N 2.94Å; D61-K64 HydrophobicContact CB-CB 4.12Å; D61-K64 WeakPolarHBondContact O-CB 3.3Å; D61-K64 PolarHBondContact O-N 2.93Å; D61-K64 VanDerWaalsContact O-N 3.08Å; D61-K64 PolarHBondContact OD1-N 3.25Å; D61-A65 PolarHBondContact O-N 3.28Å; D61-A65 VanDerWaalsContact O-N 3.12Å | ||
| 62 | V | 92.7 | Very high | 94.4 | Very high | 60 Ų | 60 | 65.9 Ų | 65.9 | 36% | 0.364 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -55.6 | -32.5 | 176.7 | 175 | 0 | 0 | 0 | 0 | 112.4 | D60 A65 A66 W223 | D60-V62 PolarHBondContact O-N 3.29Å; V62-A65 PolarHBondContact O-N 2.96Å; V62-A66 VanDerWaalsContact O-CB 3.31Å; V62-A66 WeakPolarHBondContact O-CB 3.34Å; V62-A66 PolarHBondContact O-N 3.28Å; V62-W223 HydrophobicContact CG1-CH2 3.71Å; V62-W223 HydrophobicContact CG1-CZ2 3.13Å |
| 63 | A | 94.5 | Very high | 94.5 | Very high | 68 Ų | 68 | 66.8 Ų | 66.8 | 56% | 0.562 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -68.3 | -39.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | D61 A66 Q67 | D61-A63 PolarHBondContact O-N 2.93Å; D61-A63 VanDerWaalsContact OD1-CB 3.3Å; D61-A63 WeakPolarHBondContact OD1-CB 3.38Å; D61-A63 PolarHBondContact OD1-N 2.94Å; A63-A66 PolarHBondContact O-N 3.4Å; A63-Q67 WeakPolarHBondContact O-CB 3.44Å; A63-Q67 PolarHBondContact O-N 3.14Å |
| 64 | K | 94.6 | Very high | 94.8 | Very high | 99 Ų | 99 | 66.8 Ų | 66.8 | 43% | 0.43 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64 | -44.9 | 173.7 | -172.6 | 171.7 | -178.7 | 175.2 | 0 | 111.4 | P59 D61 A66 Q67 V68 | P59-K64 HydrophobicContact CG-CD 4.16Å; P59-K64 HydrophobicContact CG-CG 4.39Å; D61-K64 HydrophobicContact CB-CB 4.12Å; D61-K64 WeakPolarHBondContact O-CB 3.3Å; D61-K64 PolarHBondContact O-N 2.93Å; D61-K64 VanDerWaalsContact O-N 3.08Å; D61-K64 PolarHBondContact OD1-N 3.25Å; K64-A66 PolarHBondContact O-N 3.31Å; K64-Q67 WeakPolarHBondContact O-CB 3.41Å; K64-Q67 PolarHBondContact O-N 3.02Å; K64-V68 WeakPolarHBondContact O-CG2 3.44Å; K64-V68 PolarHBondContact O-N 2.93Å; K64-V68 VanDerWaalsContact O-N 3.17Å |
| 65 | A | 95.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.008 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.2 | -47 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | C44 V57 D61 V62 Q67 V68 L69 | C44-A65 HydrophobicContact CB-CB 4.06Å; V57-A65 HydrophobicContact CG1-CB 3.59Å; D61-A65 PolarHBondContact O-N 3.28Å; D61-A65 VanDerWaalsContact O-N 3.12Å; V62-A65 PolarHBondContact O-N 2.96Å; A65-Q67 VanDerWaalsContact C-N 3.29Å; A65-Q67 PolarHBondContact O-N 3.08Å; A65-V68 PolarHBondContact O-N 2.79Å; A65-V68 VanDerWaalsContact O-N 3.14Å; A65-L69 WeakPolarHBondContact O-CD1 2.92Å; A65-L69 PolarHBondContact O-N 3.15Å |
| 66 | A | 95.4 | Very high | 94.9 | Very high | 31 Ų | 31 | 69.4 Ų | 69.4 | 26% | 0.256 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.3 | -36.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V62 A63 K64 L69 A70 W223 | V62-A66 VanDerWaalsContact O-CB 3.31Å; V62-A66 WeakPolarHBondContact O-CB 3.34Å; V62-A66 PolarHBondContact O-N 3.28Å; A63-A66 PolarHBondContact O-N 3.4Å; K64-A66 PolarHBondContact O-N 3.31Å; A66-L69 PolarHBondContact O-N 3.02Å; A66-A70 VanDerWaalsContact O-CB 3.32Å; A66-A70 WeakPolarHBondContact O-CB 3.3Å; A66-A70 PolarHBondContact O-N 3.3Å; A66-W223 HydrophobicContact CB-CZ3 4.4Å |
| 67 | Q | 96.7 | Very high | 94.8 | Very high | 135 Ų | 135 | 72.3 Ų | 72.3 | 63% | 0.631 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -62.1 | -43.3 | 174.5 | -173 | -176.6 | 27.2 | 0 | 0 | 112 | A63 K64 A65 A70 R71 | A63-Q67 WeakPolarHBondContact O-CB 3.44Å; A63-Q67 PolarHBondContact O-N 3.14Å; K64-Q67 WeakPolarHBondContact O-CB 3.41Å; K64-Q67 PolarHBondContact O-N 3.02Å; A65-Q67 VanDerWaalsContact C-N 3.29Å; A65-Q67 PolarHBondContact O-N 3.08Å; Q67-A70 PolarHBondContact O-N 3.41Å; Q67-R71 WeakPolarHBondContact O-CB 3.33Å; Q67-R71 PolarHBondContact O-N 3.47Å |
| 68 | V | 96.1 | Very high | 94.7 | Very high | 24 Ų | 24 | 77.9 Ų | 77.9 | 15% | 0.145 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -61.8 | -45.7 | 175.9 | 179.5 | 0 | 0 | 0 | 0 | 110.6 | D42 C44 K64 A65 R71 F72 | D42-V68 HydrophobicContact CB-CG2 4.09Å; C44-V68 HydrophobicContact CB-CB 4.25Å; C44-V68 HydrophobicContact CB-CG1 4.34Å; K64-V68 WeakPolarHBondContact O-CG2 3.44Å; K64-V68 PolarHBondContact O-N 2.93Å; K64-V68 VanDerWaalsContact O-N 3.17Å; A65-V68 PolarHBondContact O-N 2.79Å; A65-V68 VanDerWaalsContact O-N 3.14Å; V68-R71 PolarHBondContact O-N 3.49Å; V68-F72 PolarHBondContact O-N 3.22Å |
| 69 | L | 95 | Very high | 94.5 | Very high | 29 Ų | 29 | 80 Ų | 80 | 15% | 0.152 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -63.2 | -42.3 | 176.5 | -83.5 | 86.6 | 0 | 0 | 0 | 112.1 | C44 A65 A66 F72 K73 V227 | C44-L69 HydrophobicContact CB-CD1 4.32Å; C44-L69 WeakPolarHBondContact SG-CD1 3.12Å; A65-L69 WeakPolarHBondContact O-CD1 2.92Å; A65-L69 PolarHBondContact O-N 3.15Å; A66-L69 PolarHBondContact O-N 3.02Å; L69-F72 PolarHBondContact O-N 3.36Å; L69-K73 WeakPolarHBondContact O-CG 3.44Å; L69-K73 PolarHBondContact O-N 2.98Å; L69-V227 HydrophobicContact CD2-CB 4.37Å; L69-V227 HydrophobicContact CD2-CG1 3.7Å; L69-V227 HydrophobicContact CD2-CG2 3.66Å |
| 70 | A | 96 | Very high | 94.2 | Very high | 58 Ų | 58 | 81 Ų | 81 | 48% | 0.479 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | A66 Q67 F72 K73 A74 | A66-A70 VanDerWaalsContact O-CB 3.32Å; A66-A70 WeakPolarHBondContact O-CB 3.3Å; A66-A70 PolarHBondContact O-N 3.3Å; Q67-A70 PolarHBondContact O-N 3.41Å; A70-F72 VanDerWaalsContact C-N 3.32Å; A70-F72 PolarHBondContact O-N 2.93Å; A70-K73 PolarHBondContact O-N 2.88Å; A70-A74 WeakPolarHBondContact O-CB 2.91Å; A70-A74 PolarHBondContact O-N 2.77Å |
| 71 | R | 95.9 | Very high | 94 | Very high | 161 Ų | 161 | 77 Ų | 77 | 61% | 0.608 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -59.8 | -43.2 | 173.9 | -176.3 | -179.5 | 176.7 | -173.6 | -0.3 | 111.3 | D42 Q67 V68 A74 M75 | D42-R71 IonicContact OD2-NH1 2.9Å; D42-R71 PolarHBondContact OD2-NH1 3.38Å; Q67-R71 WeakPolarHBondContact O-CB 3.33Å; Q67-R71 PolarHBondContact O-N 3.47Å; V68-R71 PolarHBondContact O-N 3.49Å; R71-A74 PolarHBondContact O-N 2.9Å; R71-M75 WeakPolarHBondContact O-CG 3.43Å |
| 72 | F | 93.8 | Very high | 93.8 | Very high | 65 Ų | 65 | 79.5 Ų | 79.5 | 29% | 0.285 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62 | -47.9 | 176.9 | 176.5 | -94 | 0 | 0 | 0 | 112.2 | V68 L69 A70 A74 M75 Q80 L234 | V68-F72 PolarHBondContact O-N 3.22Å; L69-F72 PolarHBondContact O-N 3.36Å; A70-F72 VanDerWaalsContact C-N 3.32Å; A70-F72 PolarHBondContact O-N 2.93Å; F72-A74 PolarHBondContact O-N 3.47Å; F72-M75 HydrophobicContact CB-CE 4.27Å; F72-M75 HydrophobicContact CD2-CE 3.34Å; F72-M75 HydrophobicContact CE2-CE 3.93Å; F72-M75 HydrophobicContact CG-CE 4.08Å; F72-M75 WeakPolarHBondContact O-CB 3.45Å; F72-M75 PolarHBondContact O-N 3.41Å; F72-M75 VanDerWaalsContact O-N 3.12Å; F72-Q80 HydrophobicContact CE1-CB 4.13Å; F72-Q80 HydrophobicContact CE1-CG 4.12Å; F72-Q80 HydrophobicContact CE2-CB 4.11Å; F72-Q80 HydrophobicContact CE2-CG 4.28Å; F72-Q80 HydrophobicContact CZ-CB 3.63Å; F72-Q80 HydrophobicContact CZ-CG 3.97Å; F72-Q80 WeakPolarHBondContact O-CG 3.34Å; F72-L234 HydrophobicContact CE1-CD2 3.79Å |
| 73 | K | 93.7 | Very high | 93.7 | Very high | 91 Ų | 91 | 85.4 Ų | 85.4 | 40% | 0.396 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.1 | -24.8 | 178.7 | -72.3 | -178.3 | 176.2 | -173.3 | 0 | 113.6 | L69 A70 M75 Q80 | L69-K73 WeakPolarHBondContact O-CG 3.44Å; L69-K73 PolarHBondContact O-N 2.98Å; A70-K73 PolarHBondContact O-N 2.88Å; K73-M75 VanDerWaalsContact C-N 3.31Å; K73-Q80 PolarHBondContact O-NE2 2.89Å |
| 74 | A | 95.6 | Very high | 93.5 | Very high | 87 Ų | 87 | 85.9 Ų | 85.9 | 72% | 0.719 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -10.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | A70 R71 F72 | A70-A74 WeakPolarHBondContact O-CB 2.91Å; A70-A74 PolarHBondContact O-N 2.77Å; R71-A74 PolarHBondContact O-N 2.9Å; F72-A74 PolarHBondContact O-N 3.47Å |
| 75 | M | 94 | Very high | 93.4 | Very high | 75 Ų | 75 | 85.9 Ų | 85.9 | 37% | 0.369 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -75.6 | 156.7 | 177.2 | -62.3 | -165.6 | -70.6 | 0 | 0 | 111.6 | R71 F72 K73 Q80 | R71-M75 WeakPolarHBondContact O-CG 3.43Å; F72-M75 HydrophobicContact CB-CE 4.27Å; F72-M75 HydrophobicContact CD2-CE 3.34Å; F72-M75 HydrophobicContact CE2-CE 3.93Å; F72-M75 HydrophobicContact CG-CE 4.08Å; F72-M75 WeakPolarHBondContact O-CB 3.45Å; F72-M75 PolarHBondContact O-N 3.41Å; F72-M75 VanDerWaalsContact O-N 3.12Å; K73-M75 VanDerWaalsContact C-N 3.31Å; M75-Q80 HydrophobicContact CB-CG 4.11Å; M75-Q80 PolarHBondContact O-NE2 2.73Å |
| 76 | P | 94.7 | Very high | 93.2 | Very high | 84 Ų | 84 | 88.6 Ų | 88.6 | 55% | 0.545 | 46% | 0.457 | S | S | . | . | trans | -56.8 | 144.2 | 171.2 | -23.5 | 34.4 | 0 | 0 | 0 | 112.2 | L78 D79 Q80 | P76-L78 PolarHBondContact O-N 3.04Å; P76-L78 VanDerWaalsContact O-N 3.16Å; P76-D79 PolarHBondContact O-N 3.33Å; P76-Q80 PolarHBondContact O-N 2.85Å; P76-Q80 VanDerWaalsContact O-N 3.09Å | ||
| 77 | E | 92.7 | Very high | 92.9 | Very high | 133 Ų | 133 | 93.6 Ų | 93.6 | 62% | 0.621 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -54.7 | -39.1 | -176.5 | -66.8 | -178.5 | 172 | 0 | 0 | 113 | D79 Q80 C81 | E77-D79 VanDerWaalsContact C-N 3.28Å; E77-D79 PolarHBondContact O-N 2.87Å; E77-Q80 WeakPolarHBondContact O-CB 3.42Å; E77-Q80 PolarHBondContact O-N 3.29Å; E77-C81 PolarHBondContact O-N 3.49Å; E77-C81 PolarHBondContact O-SG 3.03Å |
| 78 | L | 92.7 | Very high | 92.7 | Very high | 135 Ų | 135 | 93.5 Ų | 93.5 | 71% | 0.707 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -60.4 | -37.6 | 177.3 | -65.8 | 178.4 | 0 | 0 | 0 | 112.1 | P76 K82 | P76-L78 PolarHBondContact O-N 3.04Å; P76-L78 VanDerWaalsContact O-N 3.16Å; L78-K82 VanDerWaalsContact O-CB 3.26Å; L78-K82 WeakPolarHBondContact O-CB 3.3Å; L78-K82 PolarHBondContact O-N 3.3Å; L78-K82 VanDerWaalsContact O-N 3.08Å |
| 79 | D | 92.7 | Very high | 92.5 | Very high | 85 Ų | 85 | 93.3 Ų | 93.3 | 46% | 0.455 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -77.1 | -32.2 | 178.6 | -69 | -42.3 | 0 | 0 | 0 | 111.9 | P76 E77 | P76-D79 PolarHBondContact O-N 3.33Å; E77-D79 VanDerWaalsContact C-N 3.28Å; E77-D79 PolarHBondContact O-N 2.87Å |
| 80 | Q | 90.7 | Very high | 92.3 | Very high | 37 Ų | 37 | 95.9 Ų | 95.9 | 17% | 0.173 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -62.6 | -43.8 | 174.4 | -65.6 | -175 | 40.1 | 0 | 0 | 111.5 | F72 K73 M75 P76 E77 | F72-Q80 HydrophobicContact CE1-CB 4.13Å; F72-Q80 HydrophobicContact CE1-CG 4.12Å; F72-Q80 HydrophobicContact CE2-CB 4.11Å; F72-Q80 HydrophobicContact CE2-CG 4.28Å; F72-Q80 HydrophobicContact CZ-CB 3.63Å; F72-Q80 HydrophobicContact CZ-CG 3.97Å; F72-Q80 WeakPolarHBondContact O-CG 3.34Å; K73-Q80 PolarHBondContact O-NE2 2.89Å; M75-Q80 HydrophobicContact CB-CG 4.11Å; M75-Q80 PolarHBondContact O-NE2 2.73Å; P76-Q80 PolarHBondContact O-N 2.85Å; P76-Q80 VanDerWaalsContact O-N 3.09Å; E77-Q80 WeakPolarHBondContact O-CB 3.42Å; E77-Q80 PolarHBondContact O-N 3.29Å |
| 81 | C | 87.8 | Confident | 92.2 | Very high | 66 Ų | 66 | 96.7 Ų | 96.7 | 45% | 0.446 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -90.3 | -18.6 | -175 | 69.2 | 0 | 0 | 0 | 0 | 114.3 | E77 K83 M84 | E77-C81 PolarHBondContact O-N 3.49Å; E77-C81 PolarHBondContact O-SG 3.03Å; C81-K83 PolarHBondContact O-N 3.47Å; C81-M84 HydrophobicContact CB-CE 4.26Å; C81-M84 WeakPolarHBondContact O-CB 3.4Å; C81-M84 PolarHBondContact O-N 3.4Å |
| 82 | K | 89.4 | Confident | 92.1 | Very high | 146 Ų | 146 | 92.5 Ų | 92.5 | 64% | 0.635 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | -36 | -174.7 | -175.4 | 174.1 | -174.3 | 175.3 | 0 | 115 | L78 | L78-K82 VanDerWaalsContact O-CB 3.26Å; L78-K82 WeakPolarHBondContact O-CB 3.3Å; L78-K82 PolarHBondContact O-N 3.3Å; L78-K82 VanDerWaalsContact O-N 3.08Å |
| 83 | K | 89.5 | Confident | 92.1 | Very high | 183 Ų | 183 | 94.7 Ų | 94.7 | 80% | 0.796 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122 | 13 | -179.6 | -60 | -61.8 | 178.8 | -170.7 | 0 | 112.5 | C81 | C81-K83 PolarHBondContact O-N 3.47Š|
| 84 | M | 91.9 | Very high | 92.1 | Very high | 78 Ų | 78 | 94.9 Ų | 94.9 | 38% | 0.384 | 49% | 0.485 | S | S | . | . | trans | -70.6 | 138 | 179.2 | -171.7 | 166.8 | 72.9 | 0 | 0 | 110.1 | C81 L234 | C81-M84 HydrophobicContact CB-CE 4.26Å; C81-M84 WeakPolarHBondContact O-CB 3.4Å; C81-M84 PolarHBondContact O-N 3.4Å; M84-L234 WeakPolarHBondContact CE-O 3.32Å; M84-L234 VanDerWaalsContact SD-O 3.41Å | ||
| 85 | M | 91.2 | Very high | 92.1 | Very high | 99 Ų | 99 | 94.1 Ų | 94.1 | 49% | 0.488 | 47% | 0.468 | S | S | . | . | trans | -128.5 | 107.9 | 170.6 | -175.5 | 65.7 | 68.2 | 0 | 0 | 107.1 | F90 Q93 | M85-F90 HydrophobicContact CG-CB 4.16Å; M85-F90 HydrophobicContact SD-CB 4.1Å; M85-Q93 VanDerWaalsContact CE-NE2 3.25Å | ||
| 86 | D | 91.7 | Very high | 92.2 | Very high | 59 Ų | 59 | 94.8 Ų | 94.8 | 32% | 0.316 | 47% | 0.473 | S | S | . | . | trans | -90.2 | 176.7 | 172 | 60.8 | 8.1 | 0 | 0 | 0 | 110.8 | G89 F90 | D86-G89 VanDerWaalsContact OD1-CA 3.27Å; D86-G89 WeakPolarHBondContact OD1-CA 3.4Å; D86-G89 PolarHBondContact OD1-N 3.49Å; D86-F90 VanDerWaalsContact O-CB 3.3Å; D86-F90 WeakPolarHBondContact O-CB 3.36Å; D86-F90 PolarHBondContact O-N 3.01Å | ||
| 87 | M | 89.9 | Confident | 92.3 | Very high | 136 Ų | 136 | 97.5 Ų | 97.5 | 67% | 0.67 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -67.1 | -40.3 | -179.4 | -172 | 62.6 | 151 | 0 | 0 | 111.5 | F90 L91 | M87-F90 PolarHBondContact O-N 3.39Å; M87-L91 HydrophobicContact CG-CD1 4.11Å; M87-L91 HydrophobicContact CG-CG 4.46Å; M87-L91 WeakPolarHBondContact O-CB 3.45Å; M87-L91 WeakPolarHBondContact O-CG 3.35Å; M87-L91 PolarHBondContact O-N 2.97Å; M87-L91 HydrophobicContact SD-CG 4.48Å |
| 88 | E | 91.9 | Very high | 92.5 | Very high | 132 Ų | 132 | 95.9 Ų | 95.9 | 62% | 0.617 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -63.7 | -51 | 179.9 | -177.2 | 175.4 | 168.7 | 0 | 0 | 111.2 | F90 L91 N92 | E88-F90 VanDerWaalsContact C-N 3.33Å; E88-F90 PolarHBondContact O-N 2.91Å; E88-L91 PolarHBondContact O-N 2.91Å; E88-L91 VanDerWaalsContact O-N 3.15Å; E88-N92 WeakPolarHBondContact O-CB 3.37Å; E88-N92 PolarHBondContact O-N 3.32Å; E88-N92 PolarHBondContact O-ND2 3.23Å |
| 89 | G | 92 | Very high | 92.7 | Very high | 21 Ų | 21 | 97 Ų | 97 | 22% | 0.216 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -58.3 | -43 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D86 L91 N92 Q93 | D86-G89 VanDerWaalsContact OD1-CA 3.27Å; D86-G89 WeakPolarHBondContact OD1-CA 3.4Å; D86-G89 PolarHBondContact OD1-N 3.49Å; G89-L91 PolarHBondContact O-N 2.87Å; G89-N92 PolarHBondContact O-N 2.86Å; G89-Q93 VanDerWaalsContact O-CG 3.32Å; G89-Q93 WeakPolarHBondContact O-CG 3.31Å; G89-Q93 PolarHBondContact O-N 3.05Å |
| 90 | F | 90.8 | Very high | 93 | Very high | 82 Ų | 82 | 97 Ų | 97 | 36% | 0.36 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.6 | -43.7 | 175 | 176.5 | -104.4 | 0 | 0 | 0 | 112.5 | M85 D86 M87 E88 R94 | M85-F90 HydrophobicContact CG-CB 4.16Å; M85-F90 HydrophobicContact SD-CB 4.1Å; D86-F90 VanDerWaalsContact O-CB 3.3Å; D86-F90 WeakPolarHBondContact O-CB 3.36Å; D86-F90 PolarHBondContact O-N 3.01Å; M87-F90 PolarHBondContact O-N 3.39Å; E88-F90 VanDerWaalsContact C-N 3.33Å; E88-F90 PolarHBondContact O-N 2.91Å; F90-R94 VanDerWaalsContact CE1-CD 3.44Å; F90-R94 HydrophobicContact CE1-CG 4.3Å; F90-R94 HydrophobicContact CE2-CG 4.44Å; F90-R94 HydrophobicContact CZ-CG 4.18Å; F90-R94 WeakPolarHBondContact O-CG 3.36Å; F90-R94 PolarHBondContact O-N 3.47Å; F90-R94 VanDerWaalsContact O-N 3.12Å |
| 91 | L | 92.8 | Very high | 93.3 | Very high | 75 Ų | 75 | 100.4 Ų | 100.4 | 39% | 0.393 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67 | -42.8 | 178.3 | -70.9 | 175.5 | 0 | 0 | 0 | 111.5 | M87 E88 G89 Q93 R94 I95 | M87-L91 HydrophobicContact CG-CD1 4.11Å; M87-L91 HydrophobicContact CG-CG 4.46Å; M87-L91 WeakPolarHBondContact O-CB 3.45Å; M87-L91 WeakPolarHBondContact O-CG 3.35Å; M87-L91 PolarHBondContact O-N 2.97Å; M87-L91 HydrophobicContact SD-CG 4.48Å; E88-L91 PolarHBondContact O-N 2.91Å; E88-L91 VanDerWaalsContact O-N 3.15Å; G89-L91 PolarHBondContact O-N 2.87Å; L91-Q93 PolarHBondContact O-N 3.01Å; L91-R94 WeakPolarHBondContact O-CB 3.38Å; L91-R94 PolarHBondContact O-N 3.2Å; L91-R94 VanDerWaalsContact O-N 3.13Å; L91-I95 VanDerWaalsContact O-CG1 3.3Å; L91-I95 WeakPolarHBondContact O-CG1 3.49Å; L91-I95 PolarHBondContact O-N 3.35Å |
| 92 | N | 94.9 | Very high | 93.8 | Very high | 74 Ų | 74 | 101.5 Ų | 101.5 | 40% | 0.396 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.3 | -46.8 | 176 | -74.4 | -25.9 | 0 | 0 | 0 | 111.5 | E88 G89 R94 I95 D96 | E88-N92 WeakPolarHBondContact O-CB 3.37Å; E88-N92 PolarHBondContact O-N 3.32Å; E88-N92 PolarHBondContact O-ND2 3.23Å; G89-N92 PolarHBondContact O-N 2.86Å; N92-R94 VanDerWaalsContact C-N 3.28Å; N92-R94 PolarHBondContact O-N 3.44Å; N92-I95 WeakPolarHBondContact O-CB 3.17Å; N92-I95 PolarHBondContact O-N 3.25Å; N92-I95 VanDerWaalsContact O-N 3.13Å; N92-D96 PolarHBondContact O-N 2.67Å |
| 93 | Q | 94.1 | Very high | 94.2 | Very high | 111 Ų | 111 | 100.9 Ų | 100.9 | 52% | 0.519 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58.1 | -39.5 | 174.4 | -74.3 | -178.4 | 3.8 | 0 | 0 | 112.8 | M85 G89 L91 K97 | M85-Q93 VanDerWaalsContact CE-NE2 3.25Å; G89-Q93 VanDerWaalsContact O-CG 3.32Å; G89-Q93 WeakPolarHBondContact O-CG 3.31Å; G89-Q93 PolarHBondContact O-N 3.05Å; L91-Q93 PolarHBondContact O-N 3.01Å; Q93-K97 WeakPolarHBondContact O-CB 3.45Å; Q93-K97 PolarHBondContact O-N 3.2Å |
| 94 | R | 93.1 | Very high | 94.6 | Very high | 95 Ų | 95 | 97.6 Ų | 97.6 | 36% | 0.358 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -68.1 | -40.8 | 176.4 | -75.6 | -172.5 | 64.6 | -173.8 | 1.3 | 112.2 | L8 F90 L91 N92 D96 K97 L98 | L8-R94 PolarHBondContact O-NH1 3.23Å; L8-R94 PolarHBondContact O-NH2 3.32Å; F90-R94 VanDerWaalsContact CE1-CD 3.44Å; F90-R94 HydrophobicContact CE1-CG 4.3Å; F90-R94 HydrophobicContact CE2-CG 4.44Å; F90-R94 HydrophobicContact CZ-CG 4.18Å; F90-R94 WeakPolarHBondContact O-CG 3.36Å; F90-R94 PolarHBondContact O-N 3.47Å; F90-R94 VanDerWaalsContact O-N 3.12Å; L91-R94 WeakPolarHBondContact O-CB 3.38Å; L91-R94 PolarHBondContact O-N 3.2Å; L91-R94 VanDerWaalsContact O-N 3.13Å; N92-R94 VanDerWaalsContact C-N 3.28Å; N92-R94 PolarHBondContact O-N 3.44Å; R94-D96 VanDerWaalsContact C-N 3.34Å; R94-K97 PolarHBondContact O-N 3.24Å; R94-L98 WeakPolarHBondContact O-CG 3.44Å; R94-L98 PolarHBondContact O-N 3.29Å |
| 95 | I | 95.3 | Very high | 94.9 | Very high | 71 Ų | 71 | 96.5 Ų | 96.5 | 36% | 0.364 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.8 | -46.6 | 176.5 | -72.2 | 164.8 | 0 | 0 | 0 | 109.5 | L91 N92 K97 L98 R99 | L91-I95 VanDerWaalsContact O-CG1 3.3Å; L91-I95 WeakPolarHBondContact O-CG1 3.49Å; L91-I95 PolarHBondContact O-N 3.35Å; N92-I95 WeakPolarHBondContact O-CB 3.17Å; N92-I95 PolarHBondContact O-N 3.25Å; N92-I95 VanDerWaalsContact O-N 3.13Å; I95-K97 PolarHBondContact O-N 3.24Å; I95-L98 PolarHBondContact O-N 2.83Å; I95-R99 HydrophobicContact CG2-CG 4.35Å; I95-R99 VanDerWaalsContact CG2-CZ 3.42Å; I95-R99 WeakPolarHBondContact O-CB 3.32Å; I95-R99 VanDerWaalsContact O-CG 3.31Å; I95-R99 WeakPolarHBondContact O-CG 3.28Å; I95-R99 PolarHBondContact O-N 2.9Å |
| 96 | D | 97.6 | Very high | 95.2 | Very high | 88 Ų | 88 | 99.9 Ų | 99.9 | 47% | 0.471 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.3 | -41 | 179.5 | -69.1 | -21.6 | 0 | 0 | 0 | 112.3 | N92 R94 L98 R99 E100 | N92-D96 PolarHBondContact O-N 2.67Å; R94-D96 VanDerWaalsContact C-N 3.34Å; D96-L98 VanDerWaalsContact C-N 3.34Å; D96-L98 PolarHBondContact O-N 3.26Å; D96-R99 PolarHBondContact O-N 3.32Å; D96-R99 IonicContact OD1-NH1 3.01Å; D96-R99 PolarHBondContact OD1-NH1 2.9Å; D96-E100 PolarHBondContact O-N 3.23Å |
| 97 | K | 96.2 | Very high | 95.3 | Very high | 141 Ų | 141 | 101.1 Ų | 101.1 | 61% | 0.613 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -60 | -43.7 | 173.5 | -174.3 | 172.2 | -175.5 | 168.4 | 0 | 112.1 | Q93 R94 I95 E100 Q101 | Q93-K97 WeakPolarHBondContact O-CB 3.45Å; Q93-K97 PolarHBondContact O-N 3.2Å; R94-K97 PolarHBondContact O-N 3.24Å; I95-K97 PolarHBondContact O-N 3.24Å; K97-E100 PolarHBondContact O-N 2.86Å; K97-Q101 VanDerWaalsContact O-CG 3.3Å; K97-Q101 WeakPolarHBondContact O-CG 3.49Å; K97-Q101 PolarHBondContact O-N 3.49Å |
| 98 | L | 95.7 | Very high | 95.7 | Very high | 99 Ų | 99 | 97.8 Ų | 97.8 | 52% | 0.518 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -67.5 | -38.6 | 177.4 | -72.7 | 170.7 | 0 | 0 | 0 | 111.7 | R94 I95 D96 Q101 L102 | R94-L98 WeakPolarHBondContact O-CG 3.44Å; R94-L98 PolarHBondContact O-N 3.29Å; I95-L98 PolarHBondContact O-N 2.83Å; D96-L98 VanDerWaalsContact C-N 3.34Å; D96-L98 PolarHBondContact O-N 3.26Å; L98-Q101 PolarHBondContact O-N 2.94Å; L98-L102 WeakPolarHBondContact O-CB 3.44Å; L98-L102 PolarHBondContact O-N 3.34Å |
| 99 | R | 97.7 | Very high | 96 | Very high | 160 Ų | 160 | 95.3 Ų | 95.3 | 60% | 0.604 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -60.8 | -45.3 | 174.6 | -75.4 | 171.2 | 174.7 | 164.4 | -4.2 | 111.5 | I95 D96 L102 R103 | I95-R99 HydrophobicContact CG2-CG 4.35Å; I95-R99 VanDerWaalsContact CG2-CZ 3.42Å; I95-R99 WeakPolarHBondContact O-CB 3.32Å; I95-R99 VanDerWaalsContact O-CG 3.31Å; I95-R99 WeakPolarHBondContact O-CG 3.28Å; I95-R99 PolarHBondContact O-N 2.9Å; D96-R99 PolarHBondContact O-N 3.32Å; D96-R99 IonicContact OD1-NH1 3.01Å; D96-R99 PolarHBondContact OD1-NH1 2.9Å; R99-L102 PolarHBondContact O-N 3.34Å; R99-R103 WeakPolarHBondContact O-CB 3.3Å; R99-R103 PolarHBondContact O-N 3.23Å |
| 100 | E | 97.9 | Very high | 96.1 | Very high | 85 Ų | 85 | 98.2 Ų | 98.2 | 40% | 0.397 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -67.6 | -38.1 | 177.2 | -178.5 | 51.9 | -147.7 | 0 | 0 | 111.8 | D96 K97 L102 R103 K104 R107 | D96-E100 PolarHBondContact O-N 3.23Å; K97-E100 PolarHBondContact O-N 2.86Å; E100-L102 VanDerWaalsContact C-N 3.34Å; E100-L102 PolarHBondContact O-N 3.49Å; E100-R103 PolarHBondContact O-N 3.14Å; E100-R103 IonicContact OE1-NE 3.88Å; E100-R103 IonicContact OE1-NH2 3.96Å; E100-R103 IonicContact OE2-CZ 3.24Å; E100-R103 IonicContact OE2-NE 3.78Å; E100-R103 PolarHBondContact OE2-NE 3.38Å; E100-R103 IonicContact OE2-NH2 3.71Å; E100-K104 WeakPolarHBondContact O-CB 3.42Å; E100-K104 PolarHBondContact O-N 3.46Å; E100-R107 IonicContact OE1-CZ 3.73Å; E100-R107 IonicContact OE1-NH1 3.2Å; E100-R107 IonicContact OE1-NH2 3.24Å; E100-R107 PolarHBondContact OE1-NH2 3.24Å |
| 101 | Q | 97.5 | Very high | 96.3 | Very high | 108 Ų | 108 | 99.2 Ų | 99.2 | 51% | 0.505 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.1 | -44.2 | 173.3 | -75.2 | 180 | -26.4 | 0 | 0 | 111.9 | K97 L98 K104 A105 | K97-Q101 VanDerWaalsContact O-CG 3.3Å; K97-Q101 WeakPolarHBondContact O-CG 3.49Å; K97-Q101 PolarHBondContact O-N 3.49Å; L98-Q101 PolarHBondContact O-N 2.94Å; Q101-K104 PolarHBondContact O-N 3.21Å; Q101-A105 WeakPolarHBondContact O-CB 3.21Å; Q101-A105 PolarHBondContact O-N 3.06Å |
| 102 | L | 98.2 | Very high | 96.6 | Very high | 89 Ų | 89 | 102.3 Ų | 102.3 | 47% | 0.466 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 174.9 | 178.6 | 61.6 | 0 | 0 | 0 | 111.2 | L98 R99 E100 K104 A105 R106 | L98-L102 WeakPolarHBondContact O-CB 3.44Å; L98-L102 PolarHBondContact O-N 3.34Å; R99-L102 PolarHBondContact O-N 3.34Å; E100-L102 VanDerWaalsContact C-N 3.34Å; E100-L102 PolarHBondContact O-N 3.49Å; L102-K104 VanDerWaalsContact C-N 3.31Å; L102-K104 PolarHBondContact O-N 3.32Å; L102-A105 PolarHBondContact O-N 3.36Å; L102-R106 HydrophobicContact CD1-CG 4.34Å; L102-R106 WeakPolarHBondContact O-CB 3.42Å; L102-R106 WeakPolarHBondContact O-CG 3.3Å; L102-R106 PolarHBondContact O-N 3.49Å |
| 103 | R | 97.8 | Very high | 96.6 | Very high | 133 Ų | 133 | 103 Ų | 103 | 50% | 0.502 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.2 | -42.4 | 178 | -150.7 | -173.3 | 72.4 | 88.3 | -3.5 | 110.9 | R99 E100 R106 R107 | R99-R103 WeakPolarHBondContact O-CB 3.3Å; R99-R103 PolarHBondContact O-N 3.23Å; E100-R103 PolarHBondContact O-N 3.14Å; E100-R103 IonicContact OE1-NE 3.88Å; E100-R103 IonicContact OE1-NH2 3.96Å; E100-R103 IonicContact OE2-CZ 3.24Å; E100-R103 IonicContact OE2-NE 3.78Å; E100-R103 PolarHBondContact OE2-NE 3.38Å; E100-R103 IonicContact OE2-NH2 3.71Å; R103-R106 PolarHBondContact O-N 2.88Å; R103-R107 VanDerWaalsContact NH2-CZ 3.26Å; R103-R107 VanDerWaalsContact NH2-NH1 3.11Å; R103-R107 WeakPolarHBondContact O-CG 3.48Å; R103-R107 PolarHBondContact O-N 2.82Å; R103-R107 PolarHBondContact O-NH1 2.88Å |
| 104 | K | 98.2 | Very high | 96.8 | Very high | 114 Ų | 114 | 97.9 Ų | 97.9 | 50% | 0.496 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.4 | -50.4 | 175.9 | -179.9 | 174.8 | 173 | 174.2 | 0 | 110.7 | E100 Q101 L102 R106 R107 E108 | E100-K104 WeakPolarHBondContact O-CB 3.42Å; E100-K104 PolarHBondContact O-N 3.46Å; Q101-K104 PolarHBondContact O-N 3.21Å; L102-K104 VanDerWaalsContact C-N 3.31Å; L102-K104 PolarHBondContact O-N 3.32Å; K104-R106 VanDerWaalsContact C-N 3.29Å; K104-R106 PolarHBondContact O-N 2.92Å; K104-R107 PolarHBondContact O-N 2.92Å; K104-E108 WeakPolarHBondContact CE-OE1 3.32Å; K104-E108 IonicContact NZ-OE1 3.79Å; K104-E108 VanDerWaalsContact O-CB 3.3Å; K104-E108 WeakPolarHBondContact O-CB 3.3Å; K104-E108 PolarHBondContact O-N 2.85Å |
| 105 | A | 97.9 | Very high | 96.9 | Very high | 54 Ų | 54 | 95.5 Ų | 95.5 | 45% | 0.446 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -59.8 | -39 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q101 L102 E108 N109 | Q101-A105 WeakPolarHBondContact O-CB 3.21Å; Q101-A105 PolarHBondContact O-N 3.06Å; L102-A105 PolarHBondContact O-N 3.36Å; A105-E108 PolarHBondContact O-N 3.01Å; A105-N109 WeakPolarHBondContact O-CB 3.42Å; A105-N109 PolarHBondContact O-N 3.1Å |
| 106 | R | 97.3 | Very high | 97 | Very high | 170 Ų | 170 | 97.7 Ų | 97.7 | 64% | 0.642 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -64 | -45.9 | 175 | -75.7 | 177.7 | 179.6 | -178.8 | -0.9 | 112.8 | L102 R103 K104 E108 N109 H110 | L102-R106 HydrophobicContact CD1-CG 4.34Å; L102-R106 WeakPolarHBondContact O-CB 3.42Å; L102-R106 WeakPolarHBondContact O-CG 3.3Å; L102-R106 PolarHBondContact O-N 3.49Å; R103-R106 PolarHBondContact O-N 2.88Å; K104-R106 VanDerWaalsContact C-N 3.29Å; K104-R106 PolarHBondContact O-N 2.92Å; R106-E108 VanDerWaalsContact C-N 3.34Å; R106-N109 PolarHBondContact O-N 3.31Å; R106-H110 WeakPolarHBondContact O-CB 3.43Å; R106-H110 PolarHBondContact O-N 3.43Å |
| 107 | R | 95.6 | Very high | 96.8 | Very high | 86 Ų | 86 | 94 Ų | 94 | 33% | 0.325 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.5 | -48.7 | 175.6 | -73 | -169.9 | -57.2 | -77.9 | 17.8 | 111 | E100 R103 K104 N109 H110 E111 | E100-R107 IonicContact OE1-CZ 3.73Å; E100-R107 IonicContact OE1-NH1 3.2Å; E100-R107 IonicContact OE1-NH2 3.24Å; E100-R107 PolarHBondContact OE1-NH2 3.24Å; R103-R107 VanDerWaalsContact NH2-CZ 3.26Å; R103-R107 VanDerWaalsContact NH2-NH1 3.11Å; R103-R107 WeakPolarHBondContact O-CG 3.48Å; R103-R107 PolarHBondContact O-N 2.82Å; R103-R107 PolarHBondContact O-NH1 2.88Å; K104-R107 PolarHBondContact O-N 2.92Å; R107-N109 VanDerWaalsContact C-N 3.3Å; R107-N109 PolarHBondContact O-N 3.42Å; R107-H110 PolarHBondContact O-N 2.97Å; R107-E111 WeakPolarHBondContact O-CG 3.29Å; R107-E111 PolarHBondContact O-N 3.33Å |
| 108 | E | 97.2 | Very high | 96.7 | Very high | 65 Ų | 65 | 88.6 Ų | 88.6 | 30% | 0.304 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.1 | -37.5 | 178.2 | -94.5 | -166.7 | -133.3 | 0 | 0 | 113.2 | K104 A105 R106 R112 | K104-E108 WeakPolarHBondContact CE-OE1 3.32Å; K104-E108 IonicContact NZ-OE1 3.79Å; K104-E108 VanDerWaalsContact O-CB 3.3Å; K104-E108 WeakPolarHBondContact O-CB 3.3Å; K104-E108 PolarHBondContact O-N 2.85Å; A105-E108 PolarHBondContact O-N 3.01Å; R106-E108 VanDerWaalsContact C-N 3.34Å; E108-R112 VanDerWaalsContact C-NH1 3.3Å; E108-R112 VanDerWaalsContact CB-NH1 3.26Å; E108-R112 VanDerWaalsContact O-CG 3.31Å; E108-R112 WeakPolarHBondContact O-CG 2.79Å; E108-R112 PolarHBondContact O-N 3.45Å; E108-R112 PolarHBondContact O-NH1 3.05Å; E108-R112 IonicContact OE2-CZ 3.59Å; E108-R112 IonicContact OE2-NH1 3.23Å; E108-R112 PolarHBondContact OE2-NH1 3.49Å; E108-R112 IonicContact OE2-NH2 2.67Å; E108-R112 PolarHBondContact OE2-NH2 2.93Å |
| 109 | N | 97.6 | Very high | 96.7 | Very high | 81 Ų | 81 | 89.2 Ų | 89.2 | 43% | 0.433 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -70.3 | -47.9 | 174.4 | -169.5 | 34.1 | 0 | 0 | 0 | 110.9 | A105 R106 R107 E111 R112 E113 | A105-N109 WeakPolarHBondContact O-CB 3.42Å; A105-N109 PolarHBondContact O-N 3.1Å; R106-N109 PolarHBondContact O-N 3.31Å; R107-N109 VanDerWaalsContact C-N 3.3Å; R107-N109 PolarHBondContact O-N 3.42Å; N109-E111 VanDerWaalsContact C-N 3.31Å; N109-E111 PolarHBondContact O-N 3.48Å; N109-R112 PolarHBondContact O-N 3.18Å; N109-E113 PolarHBondContact ND2-OE1 3.26Å; N109-E113 WeakPolarHBondContact O-CG 3.37Å; N109-E113 PolarHBondContact O-N 2.87Å; N109-E113 PolarHBondContact OD1-OE1 2.83Å |
| 110 | H | 95.1 | Very high | 96.6 | Very high | 81 Ų | 81 | 83.5 Ų | 83.5 | 38% | 0.375 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -58.8 | -40.6 | 179.1 | -177.8 | 65.8 | 0 | 0 | 0 | 112.6 | R106 R107 T114 | R106-H110 WeakPolarHBondContact O-CB 3.43Å; R106-H110 PolarHBondContact O-N 3.43Å; R107-H110 PolarHBondContact O-N 2.97Å; H110-T114 VanDerWaalsContact O-CB 3.28Å; H110-T114 WeakPolarHBondContact O-CB 3.46Å; H110-T114 PolarHBondContact O-N 3.43Å; H110-T114 PolarHBondContact O-OG1 3.16Å |
| 111 | E | 95.3 | Very high | 96.4 | Very high | 103 Ų | 103 | 80.9 Ų | 80.9 | 48% | 0.481 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.2 | -42.1 | 174 | -76.5 | 174.5 | -167.4 | 0 | 0 | 112.1 | R107 N109 A115 | R107-E111 WeakPolarHBondContact O-CG 3.29Å; R107-E111 PolarHBondContact O-N 3.33Å; N109-E111 VanDerWaalsContact C-N 3.31Å; N109-E111 PolarHBondContact O-N 3.48Å; E111-A115 WeakPolarHBondContact O-CB 3.4Å; E111-A115 PolarHBondContact O-N 3.19Å |
| 112 | R | 97.7 | Very high | 96.1 | Very high | 141 Ų | 141 | 82.1 Ų | 82.1 | 53% | 0.532 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -68 | -45.1 | 178 | -73 | 179.2 | -176 | 91.3 | -7 | 111.6 | E108 N109 A115 L116 | E108-R112 VanDerWaalsContact C-NH1 3.3Å; E108-R112 VanDerWaalsContact CB-NH1 3.26Å; E108-R112 VanDerWaalsContact O-CG 3.31Å; E108-R112 WeakPolarHBondContact O-CG 2.79Å; E108-R112 PolarHBondContact O-N 3.45Å; E108-R112 PolarHBondContact O-NH1 3.05Å; E108-R112 IonicContact OE2-CZ 3.59Å; E108-R112 IonicContact OE2-NH1 3.23Å; E108-R112 PolarHBondContact OE2-NH1 3.49Å; E108-R112 IonicContact OE2-NH2 2.67Å; E108-R112 PolarHBondContact OE2-NH2 2.93Å; N109-R112 PolarHBondContact O-N 3.18Å; R112-A115 PolarHBondContact O-N 2.98Å; R112-L116 WeakPolarHBondContact O-CG 3.27Å; R112-L116 PolarHBondContact O-N 3.36Å |
| 113 | E | 96.1 | Very high | 95.9 | Very high | 89 Ų | 89 | 80.3 Ų | 80.3 | 42% | 0.416 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -58.8 | -47.8 | 175.3 | -72.3 | 169.2 | 173.2 | 0 | 0 | 110.7 | N109 A115 L116 L117 | N109-E113 PolarHBondContact ND2-OE1 3.26Å; N109-E113 WeakPolarHBondContact O-CG 3.37Å; N109-E113 PolarHBondContact O-N 2.87Å; N109-E113 PolarHBondContact OD1-OE1 2.83Å; E113-A115 VanDerWaalsContact C-N 3.32Å; E113-A115 PolarHBondContact O-N 2.96Å; E113-L116 PolarHBondContact O-N 3.2Å; E113-L117 WeakPolarHBondContact O-CG 3.47Å; E113-L117 PolarHBondContact O-N 3.48Å |
| 114 | T | 97 | Very high | 95.6 | Very high | 3 Ų | 3 | 76.5 Ų | 76.5 | 2% | 0.018 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.2 | -38.7 | 177.5 | -55.9 | 0 | 0 | 0 | 0 | 112 | H110 L117 L118 G139 M143 | H110-T114 VanDerWaalsContact O-CB 3.28Å; H110-T114 WeakPolarHBondContact O-CB 3.46Å; H110-T114 PolarHBondContact O-N 3.43Å; H110-T114 PolarHBondContact O-OG1 3.16Å; T114-L117 PolarHBondContact O-N 2.88Å; T114-L118 WeakPolarHBondContact O-CB 3.4Å; T114-L118 PolarHBondContact O-N 3.29Å; T114-G139 WeakPolarHBondContact CG2-O 3.2Å; T114-M143 HydrophobicContact CG2-CB 3.87Å; T114-M143 HydrophobicContact CG2-CE 3.56Å; T114-M143 HydrophobicContact CG2-CG 4.48Å; T114-M143 HydrophobicContact CG2-SD 3.86Å |
| 115 | A | 96.9 | Very high | 95.3 | Very high | 44 Ų | 44 | 77.4 Ų | 77.4 | 36% | 0.364 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.7 | -37.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E111 R112 E113 L118 H119 M143 | E111-A115 WeakPolarHBondContact O-CB 3.4Å; E111-A115 PolarHBondContact O-N 3.19Å; R112-A115 PolarHBondContact O-N 2.98Å; E113-A115 VanDerWaalsContact C-N 3.32Å; E113-A115 PolarHBondContact O-N 2.96Å; A115-L118 PolarHBondContact O-N 3.39Å; A115-H119 PolarHBondContact O-N 2.84Å; A115-H119 VanDerWaalsContact O-N 3.1Å; A115-M143 HydrophobicContact CB-CE 4.42Å; A115-M143 HydrophobicContact CB-SD 4.1Å |
| 116 | L | 95.5 | Very high | 94.8 | Very high | 117 Ų | 117 | 79 Ų | 79 | 61% | 0.613 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -66 | -43.8 | 173.1 | -68.3 | 173 | 0 | 0 | 0 | 111.2 | R112 E113 L118 H119 D120 | R112-L116 WeakPolarHBondContact O-CG 3.27Å; R112-L116 PolarHBondContact O-N 3.36Å; E113-L116 PolarHBondContact O-N 3.2Å; L116-L118 VanDerWaalsContact C-N 3.31Å; L116-L118 PolarHBondContact O-N 2.68Å; L116-H119 PolarHBondContact O-N 2.79Å; L116-D120 PolarHBondContact O-N 3.45Å |
| 117 | L | 94.6 | Very high | 94.2 | Very high | 11 Ų | 11 | 76 Ų | 76 | 6% | 0.058 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59.4 | -41.4 | 175 | -71.2 | 178.8 | 0 | 0 | 0 | 112 | E113 T114 D120 A121 R126 L132 E136 | E113-L117 WeakPolarHBondContact O-CG 3.47Å; E113-L117 PolarHBondContact O-N 3.48Å; T114-L117 PolarHBondContact O-N 2.88Å; L117-D120 PolarHBondContact O-N 3.19Å; L117-A121 WeakPolarHBondContact O-CB 3.31Å; L117-A121 PolarHBondContact O-N 3.47Å; L117-R126 VanDerWaalsContact CD2-CZ 3.41Å; L117-L132 HydrophobicContact CD1-CD2 4.16Å; L117-L132 HydrophobicContact CD2-CD2 3.83Å; L117-E136 HydrophobicContact CD1-CB 3.95Å; L117-E136 HydrophobicContact CD1-CG 4.07Å |
| 118 | L | 94.8 | Very high | 93.8 | Very high | 27 Ų | 27 | 75.8 Ų | 75.8 | 14% | 0.141 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -60.7 | -45.5 | 175.2 | 178.2 | 60 | 0 | 0 | 0 | 111.6 | T114 A115 L116 A121 I122 L140 M143 V144 R147 | T114-L118 WeakPolarHBondContact O-CB 3.4Å; T114-L118 PolarHBondContact O-N 3.29Å; A115-L118 PolarHBondContact O-N 3.39Å; L116-L118 VanDerWaalsContact C-N 3.31Å; L116-L118 PolarHBondContact O-N 2.68Å; L118-A121 PolarHBondContact O-N 3.43Å; L118-I122 HydrophobicContact CD1-CD1 3.77Å; L118-I122 HydrophobicContact CD1-CG1 4.13Å; L118-I122 HydrophobicContact CG-CD1 3.86Å; L118-I122 VanDerWaalsContact O-CG1 3.31Å; L118-I122 WeakPolarHBondContact O-CG1 3.35Å; L118-I122 PolarHBondContact O-N 3.19Å; L118-L140 HydrophobicContact CB-CD1 3.75Å; L118-L140 HydrophobicContact CD1-CD1 3.91Å; L118-L140 HydrophobicContact CG-CD1 4.45Å; L118-M143 HydrophobicContact CD2-CG 4.1Å; L118-M143 HydrophobicContact CD2-SD 4.08Å; L118-V144 HydrophobicContact CD1-CG2 3.55Å; L118-R147 HydrophobicContact CD2-CG 4.41Å |
| 119 | H | 94.8 | Very high | 93.4 | Very high | 113 Ų | 113 | 75.7 Ų | 75.7 | 52% | 0.523 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63 | -41.3 | 177 | 174.3 | -109.9 | 0 | 0 | 0 | 112.1 | A115 L116 A123 R125 | A115-H119 PolarHBondContact O-N 2.84Å; A115-H119 VanDerWaalsContact O-N 3.1Å; L116-H119 PolarHBondContact O-N 2.79Å; H119-A123 VanDerWaalsContact O-CB 3.24Å; H119-A123 WeakPolarHBondContact O-CB 3.28Å; H119-A123 PolarHBondContact O-N 3.41Å; H119-R125 PolarHBondContact CE1-NH2 3.13Å; H119-R125 PolarHBondContact ND1-NH2 2.86Å |
| 120 | D | 94.8 | Very high | 93 | Very high | 39 Ų | 39 | 75.5 Ų | 75.5 | 21% | 0.209 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -62.2 | -43 | 174.1 | -77.1 | -14.3 | 0 | 0 | 0 | 112.5 | L116 L117 A123 G124 R125 R126 | L116-D120 PolarHBondContact O-N 3.45Å; L117-D120 PolarHBondContact O-N 3.19Å; D120-A123 PolarHBondContact O-N 2.84Å; D120-G124 PolarHBondContact O-N 3.49Å; D120-R125 HydrophobicContact CB-CB 4.37Å; D120-R125 PolarHBondContact O-N 2.89Å; D120-R125 IonicContact OD1-CZ 3.72Å; D120-R125 VanDerWaalsContact OD1-CZ 3.23Å; D120-R125 IonicContact OD1-NE 2.94Å; D120-R125 PolarHBondContact OD1-NE 3.01Å; D120-R125 IonicContact OD1-NH2 3.67Å; D120-R125 PolarHBondContact OD1-NH2 3.32Å; D120-R126 HydrophobicContact CB-CG 4.18Å; D120-R126 IonicContact OD2-NE 2.79Å |
| 121 | A | 93.7 | Very high | 92.8 | Very high | 31 Ų | 31 | 75.6 Ų | 75.6 | 26% | 0.256 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.2 | -47 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L117 L118 A123 G124 L129 | L117-A121 WeakPolarHBondContact O-CB 3.31Å; L117-A121 PolarHBondContact O-N 3.47Å; L118-A121 PolarHBondContact O-N 3.43Å; A121-A123 VanDerWaalsContact C-N 3.33Å; A121-A123 PolarHBondContact O-N 2.94Å; A121-G124 PolarHBondContact O-N 2.81Å; A121-G124 VanDerWaalsContact O-N 3.08Å; A121-L129 HydrophobicContact CB-CD2 3.9Å |
| 122 | I | 92.1 | Very high | 92.6 | Very high | 133 Ų | 133 | 71.7 Ų | 71.7 | 68% | 0.682 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -64.3 | -38.7 | 178.3 | -67.8 | 169.2 | 0 | 0 | 0 | 111.2 | L118 G124 | L118-I122 HydrophobicContact CD1-CD1 3.77Å; L118-I122 HydrophobicContact CD1-CG1 4.13Å; L118-I122 HydrophobicContact CG-CD1 3.86Å; L118-I122 VanDerWaalsContact O-CG1 3.31Å; L118-I122 WeakPolarHBondContact O-CG1 3.35Å; L118-I122 PolarHBondContact O-N 3.19Å; I122-G124 PolarHBondContact O-N 3.31Å |
| 123 | A | 94 | Very high | 92.5 | Very high | 51 Ų | 51 | 67.1 Ų | 67.1 | 42% | 0.421 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | 0.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | H119 D120 A121 R125 | H119-A123 VanDerWaalsContact O-CB 3.24Å; H119-A123 WeakPolarHBondContact O-CB 3.28Å; H119-A123 PolarHBondContact O-N 3.41Å; D120-A123 PolarHBondContact O-N 2.84Å; A121-A123 VanDerWaalsContact C-N 3.33Å; A121-A123 PolarHBondContact O-N 2.94Å; A123-R125 HydrophobicContact CB-CG 4.35Å; A123-R125 PolarHBondContact O-N 2.92Å |
| 124 | G | 91.3 | Very high | 92.5 | Very high | 53 Ų | 53 | 68.3 Ų | 68.3 | 55% | 0.546 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 11 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | D120 A121 I122 R126 | D120-G124 PolarHBondContact O-N 3.49Å; A121-G124 PolarHBondContact O-N 2.81Å; A121-G124 VanDerWaalsContact O-N 3.08Å; I122-G124 PolarHBondContact O-N 3.31Å; G124-R126 PolarHBondContact O-N 2.73Å |
| 125 | R | 91.5 | Very high | 92.3 | Very high | 133 Ų | 133 | 74.3 Ų | 74.3 | 50% | 0.502 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -73.9 | -13.4 | 179.7 | -70.4 | -166.5 | -66.9 | -80.8 | -7.4 | 113.4 | H119 D120 A123 | H119-R125 PolarHBondContact CE1-NH2 3.13Å; H119-R125 PolarHBondContact ND1-NH2 2.86Å; D120-R125 HydrophobicContact CB-CB 4.37Å; D120-R125 PolarHBondContact O-N 2.89Å; D120-R125 IonicContact OD1-CZ 3.72Å; D120-R125 VanDerWaalsContact OD1-CZ 3.23Å; D120-R125 IonicContact OD1-NE 2.94Å; D120-R125 PolarHBondContact OD1-NE 3.01Å; D120-R125 IonicContact OD1-NH2 3.67Å; D120-R125 PolarHBondContact OD1-NH2 3.32Å; A123-R125 HydrophobicContact CB-CG 4.35Å; A123-R125 PolarHBondContact O-N 2.92Å |
| 126 | R | 87.3 | Confident | 92.3 | Very high | 88 Ų | 88 | 75.4 Ų | 75.4 | 33% | 0.332 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -125.8 | 76.4 | 175.8 | -71.3 | -172.6 | -177.2 | -123.2 | 8.1 | 111.5 | L117 D120 G124 G128 L129 | L117-R126 VanDerWaalsContact CD2-CZ 3.41Å; D120-R126 HydrophobicContact CB-CG 4.18Å; D120-R126 IonicContact OD2-NE 2.79Å; G124-R126 PolarHBondContact O-N 2.73Å; R126-G128 PolarHBondContact O-N 3.42Å; R126-L129 PolarHBondContact O-N 3.46Å |
| 127 | P | 85.6 | Confident | 92.3 | Very high | 107 Ų | 107 | 73.7 Ų | 73.7 | 70% | 0.695 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -63.4 | 131.9 | 178.9 | 26.1 | -33.3 | 0 | 0 | 0 | 110.9 | L129 | P127-L129 PolarHBondContact O-N 3.03Å; P127-L129 VanDerWaalsContact O-N 3.13Å |
| 128 | G | 87.3 | Confident | 92.3 | Very high | 81 Ų | 81 | 76.2 Ų | 76.2 | 84% | 0.835 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | 66.4 | 8.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | R126 A130 | R126-G128 PolarHBondContact O-N 3.42Å; G128-A130 PolarHBondContact O-N 2.9Å; G128-A130 VanDerWaalsContact O-N 3.07Å |
| 129 | L | 89 | Confident | 92.4 | Very high | 64 Ų | 64 | 75.4 Ų | 75.4 | 34% | 0.335 | 47% | 0.472 | S | S | . | . | G | 310 helix | trans | 51.9 | 29.8 | -176.4 | -59 | 179.2 | 0 | 0 | 0 | 113.3 | A121 R126 P127 L132 L140 | A121-L129 HydrophobicContact CB-CD2 3.9Å; R126-L129 PolarHBondContact O-N 3.46Å; P127-L129 PolarHBondContact O-N 3.03Å; P127-L129 VanDerWaalsContact O-N 3.13Å; L129-L132 HydrophobicContact CB-CD1 4.07Å; L129-L132 HydrophobicContact CD2-CD1 4.18Å; L129-L140 HydrophobicContact CD1-CD2 3.93Å; L129-L140 HydrophobicContact CD2-CD2 3.8Å |
| 130 | A | 88.1 | Confident | 92.4 | Very high | 77 Ų | 77 | 70.4 Ų | 70.4 | 64% | 0.636 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 144.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | G128 L132 | G128-A130 PolarHBondContact O-N 2.9Å; G128-A130 VanDerWaalsContact O-N 3.07Å; A130-L132 VanDerWaalsContact C-N 3.31Å; A130-L132 PolarHBondContact O-N 3.06Å |
| 131 | G | 90.2 | Very high | 92.5 | Very high | 83 Ų | 83 | 70.4 Ų | 70.4 | 86% | 0.856 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | 4.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 132 | L | 92.8 | Very high | 92.6 | Very high | 20 Ų | 20 | 76.1 Ų | 76.1 | 11% | 0.105 | 47% | 0.473 | C | S | . | . | trans | -81.6 | 145.1 | 173.6 | -65.9 | -177.8 | 0 | 0 | 0 | 112 | L117 L129 A130 E136 I137 L140 | L117-L132 HydrophobicContact CD1-CD2 4.16Å; L117-L132 HydrophobicContact CD2-CD2 3.83Å; L129-L132 HydrophobicContact CB-CD1 4.07Å; L129-L132 HydrophobicContact CD2-CD1 4.18Å; A130-L132 VanDerWaalsContact C-N 3.31Å; A130-L132 PolarHBondContact O-N 3.06Å; L132-E136 VanDerWaalsContact CA-OE2 3.25Å; L132-E136 WeakPolarHBondContact CA-OE2 3.37Å; L132-E136 HydrophobicContact CB-CB 4.13Å; L132-E136 HydrophobicContact CD2-CB 4.19Å; L132-E136 WeakPolarHBondContact CD2-OE2 3.44Å; L132-I137 HydrophobicContact CB-CD1 4.13Å; L132-I137 HydrophobicContact CB-CG1 3.67Å; L132-I137 HydrophobicContact CD1-CG1 4.26Å; L132-L140 HydrophobicContact CD1-CD2 4.38Å | ||
| 133 | S | 95.2 | Very high | 92.8 | Very high | 46 Ų | 46 | 70.6 Ų | 70.6 | 32% | 0.322 | 45% | 0.445 | S | S | . | . | trans | -70.5 | 163.2 | 170.4 | 96.7 | 0 | 0 | 0 | 0 | 111.3 | E135 E136 I137 | S133-E135 WeakPolarHBondContact CB-OE2 3.27Å; S133-E135 PolarHBondContact O-N 2.83Å; S133-E135 PolarHBondContact OG-N 3.01Å; S133-E135 PolarHBondContact OG-OE2 3.48Å; S133-E136 PolarHBondContact N-OE2 3.41Å; S133-E136 PolarHBondContact O-N 3.39Å; S133-E136 PolarHBondContact OG-N 3.32Å; S133-I137 WeakPolarHBondContact O-CG1 3.39Å; S133-I137 PolarHBondContact O-N 3.24Å | ||
| 134 | V | 95 | Very high | 93 | Very high | 114 Ų | 114 | 70.7 Ų | 70.7 | 69% | 0.691 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -60.3 | -38.9 | 176.6 | 179.1 | 0 | 0 | 0 | 0 | 110.7 | I137 A138 | V134-I137 PolarHBondContact O-N 3.13Å; V134-A138 VanDerWaalsContact O-CB 3.3Å; V134-A138 WeakPolarHBondContact O-CB 3.37Å; V134-A138 PolarHBondContact O-N 2.93Å |
| 135 | E | 94 | Very high | 93.3 | Very high | 128 Ų | 128 | 73.8 Ų | 73.8 | 60% | 0.598 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -65.1 | -41.7 | 177 | -58.4 | 75.3 | -164.3 | 0 | 0 | 111.9 | S133 A138 G139 | S133-E135 WeakPolarHBondContact CB-OE2 3.27Å; S133-E135 PolarHBondContact O-N 2.83Å; S133-E135 PolarHBondContact OG-N 3.01Å; S133-E135 PolarHBondContact OG-OE2 3.48Å; E135-A138 PolarHBondContact O-N 3.29Å; E135-G139 PolarHBondContact O-N 3.46Å |
| 136 | E | 95.5 | Very high | 93.5 | Very high | 67 Ų | 67 | 70.8 Ų | 70.8 | 31% | 0.313 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.1 | -43.7 | 176.7 | -69.5 | 177.8 | 133.8 | 0 | 0 | 111.6 | L117 L132 S133 G139 L140 | L117-E136 HydrophobicContact CD1-CB 3.95Å; L117-E136 HydrophobicContact CD1-CG 4.07Å; L132-E136 VanDerWaalsContact CA-OE2 3.25Å; L132-E136 WeakPolarHBondContact CA-OE2 3.37Å; L132-E136 HydrophobicContact CB-CB 4.13Å; L132-E136 HydrophobicContact CD2-CB 4.19Å; L132-E136 WeakPolarHBondContact CD2-OE2 3.44Å; S133-E136 PolarHBondContact N-OE2 3.41Å; S133-E136 PolarHBondContact O-N 3.39Å; S133-E136 PolarHBondContact OG-N 3.32Å; E136-G139 PolarHBondContact O-N 2.96Å; E136-L140 VanDerWaalsContact O-CB 3.23Å; E136-L140 WeakPolarHBondContact O-CB 3.37Å; E136-L140 PolarHBondContact O-N 2.84Å |
| 137 | I | 95.6 | Very high | 93.9 | Very high | 82 Ų | 82 | 74.4 Ų | 74.4 | 42% | 0.421 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.3 | -43.4 | 177.2 | -65.6 | 168.3 | 0 | 0 | 0 | 110.5 | L132 S133 V134 L140 G141 | L132-I137 HydrophobicContact CB-CD1 4.13Å; L132-I137 HydrophobicContact CB-CG1 3.67Å; L132-I137 HydrophobicContact CD1-CG1 4.26Å; S133-I137 WeakPolarHBondContact O-CG1 3.39Å; S133-I137 PolarHBondContact O-N 3.24Å; V134-I137 PolarHBondContact O-N 3.13Å; I137-L140 PolarHBondContact O-N 3.15Å; I137-G141 PolarHBondContact O-N 3.48Å |
| 138 | A | 95.8 | Very high | 94.5 | Very high | 63 Ų | 63 | 74 Ų | 74 | 52% | 0.521 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.2 | -46 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V134 E135 L140 G141 W142 | V134-A138 VanDerWaalsContact O-CB 3.3Å; V134-A138 WeakPolarHBondContact O-CB 3.37Å; V134-A138 PolarHBondContact O-N 2.93Å; E135-A138 PolarHBondContact O-N 3.29Å; A138-L140 VanDerWaalsContact C-N 3.34Å; A138-L140 PolarHBondContact O-N 2.8Å; A138-G141 PolarHBondContact O-N 3.12Å; A138-W142 PolarHBondContact O-N 2.8Å |
| 139 | G | 95.8 | Very high | 95 | Very high | 10 Ų | 10 | 73 Ų | 73 | 10% | 0.103 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -59.7 | -45 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | T114 E135 E136 W142 M143 | T114-G139 WeakPolarHBondContact CG2-O 3.2Å; E135-G139 PolarHBondContact O-N 3.46Å; E136-G139 PolarHBondContact O-N 2.96Å; G139-W142 PolarHBondContact O-N 3.13Å; G139-M143 WeakPolarHBondContact O-CB 3.46Å; G139-M143 PolarHBondContact O-N 3.28Å |
| 140 | L | 96.2 | Very high | 95.4 | Very high | 8 Ų | 8 | 71.9 Ų | 71.9 | 4% | 0.042 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -62.2 | -47.1 | 177.7 | -179.4 | 61.2 | 0 | 0 | 0 | 111.7 | L118 L129 L132 E136 I137 A138 W142 M143 V144 | L118-L140 HydrophobicContact CB-CD1 3.75Å; L118-L140 HydrophobicContact CD1-CD1 3.91Å; L118-L140 HydrophobicContact CG-CD1 4.45Å; L129-L140 HydrophobicContact CD1-CD2 3.93Å; L129-L140 HydrophobicContact CD2-CD2 3.8Å; L132-L140 HydrophobicContact CD1-CD2 4.38Å; E136-L140 VanDerWaalsContact O-CB 3.23Å; E136-L140 WeakPolarHBondContact O-CB 3.37Å; E136-L140 PolarHBondContact O-N 2.84Å; I137-L140 PolarHBondContact O-N 3.15Å; A138-L140 VanDerWaalsContact C-N 3.34Å; A138-L140 PolarHBondContact O-N 2.8Å; L140-W142 PolarHBondContact O-N 3.07Å; L140-M143 PolarHBondContact O-N 3.15Å; L140-V144 HydrophobicContact CD1-CG2 4.26Å; L140-V144 WeakPolarHBondContact O-CG2 3.29Å; L140-V144 PolarHBondContact O-N 3.12Å |
| 141 | G | 95.8 | Very high | 95.8 | Very high | 40 Ų | 40 | 72.2 Ų | 72.2 | 41% | 0.412 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -57.6 | -49.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I137 A138 M143 V144 E145 | I137-G141 PolarHBondContact O-N 3.48Å; A138-G141 PolarHBondContact O-N 3.12Å; G141-M143 VanDerWaalsContact C-N 3.32Å; G141-M143 PolarHBondContact O-N 3.24Å; G141-V144 PolarHBondContact O-N 3.05Å; G141-E145 PolarHBondContact O-N 3.28Å |
| 142 | W | 96.7 | Very high | 96.1 | Very high | 151 Ų | 151 | 73.8 Ų | 73.8 | 57% | 0.572 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -59 | -42.5 | 176.1 | 179.1 | 84.2 | 0 | 0 | 0 | 112.3 | A138 G139 L140 E145 N146 | A138-W142 PolarHBondContact O-N 2.8Å; G139-W142 PolarHBondContact O-N 3.13Å; L140-W142 PolarHBondContact O-N 3.07Å; W142-E145 PolarHBondContact O-N 3.15Å; W142-N146 WeakPolarHBondContact CH2-ND2 3.49Å; W142-N146 WeakPolarHBondContact CZ2-ND2 3.2Å; W142-N146 WeakPolarHBondContact CZ3-ND2 3.18Å; W142-N146 PolarHBondContact O-N 3.33Å |
| 143 | M | 96.9 | Very high | 96.4 | Very high | 17 Ų | 17 | 76.4 Ų | 76.4 | 8% | 0.084 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -66.8 | -42.2 | 179.3 | -172.3 | 170.3 | -67.2 | 0 | 0 | 112 | T114 A115 L118 G139 L140 G141 N146 R147 | T114-M143 HydrophobicContact CG2-CB 3.87Å; T114-M143 HydrophobicContact CG2-CE 3.56Å; T114-M143 HydrophobicContact CG2-CG 4.48Å; T114-M143 HydrophobicContact CG2-SD 3.86Å; A115-M143 HydrophobicContact CB-CE 4.42Å; A115-M143 HydrophobicContact CB-SD 4.1Å; L118-M143 HydrophobicContact CD2-CG 4.1Å; L118-M143 HydrophobicContact CD2-SD 4.08Å; G139-M143 WeakPolarHBondContact O-CB 3.46Å; G139-M143 PolarHBondContact O-N 3.28Å; L140-M143 PolarHBondContact O-N 3.15Å; G141-M143 VanDerWaalsContact C-N 3.32Å; G141-M143 PolarHBondContact O-N 3.24Å; M143-N146 PolarHBondContact O-N 3.4Å; M143-R147 HydrophobicContact CG-CG 4.44Å; M143-R147 WeakPolarHBondContact O-CG 3.46Å; M143-R147 PolarHBondContact O-N 3.42Å |
| 144 | V | 96.7 | Very high | 96.4 | Very high | 53 Ų | 53 | 76.3 Ų | 76.3 | 32% | 0.321 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60 | -48.6 | 175.9 | 170.2 | 0 | 0 | 0 | 0 | 110.5 | L118 L140 G141 N146 R147 L148 | L118-V144 HydrophobicContact CD1-CG2 3.55Å; L140-V144 HydrophobicContact CD1-CG2 4.26Å; L140-V144 WeakPolarHBondContact O-CG2 3.29Å; L140-V144 PolarHBondContact O-N 3.12Å; G141-V144 PolarHBondContact O-N 3.05Å; V144-N146 PolarHBondContact O-N 2.94Å; V144-R147 PolarHBondContact O-N 3.36Å; V144-L148 HydrophobicContact CG1-CD1 3.84Å; V144-L148 HydrophobicContact CG1-CG 4.25Å; V144-L148 WeakPolarHBondContact O-CG 3.27Å; V144-L148 PolarHBondContact O-N 3.47Å |
| 145 | E | 97.6 | Very high | 96.5 | Very high | 118 Ų | 118 | 74.9 Ų | 74.9 | 55% | 0.551 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -57.7 | -47.8 | 179.2 | -176.6 | 171.3 | -156.3 | 0 | 0 | 111.7 | G141 W142 R147 L148 N149 | G141-E145 PolarHBondContact O-N 3.28Å; W142-E145 PolarHBondContact O-N 3.15Å; E145-R147 VanDerWaalsContact C-N 3.33Å; E145-R147 PolarHBondContact O-N 3.44Å; E145-L148 PolarHBondContact O-N 3.4Å; E145-N149 VanDerWaalsContact O-CG 3.29Å; E145-N149 PolarHBondContact O-N 2.77Å; E145-N149 PolarHBondContact O-ND2 2.81Å |
| 146 | N | 96.7 | Very high | 96.6 | Very high | 69 Ų | 69 | 74.6 Ų | 74.6 | 37% | 0.369 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.5 | -40.8 | 176.8 | -78.8 | -10.1 | 0 | 0 | 0 | 113.1 | W142 M143 V144 G150 | W142-N146 WeakPolarHBondContact CH2-ND2 3.49Å; W142-N146 WeakPolarHBondContact CZ2-ND2 3.2Å; W142-N146 WeakPolarHBondContact CZ3-ND2 3.18Å; W142-N146 PolarHBondContact O-N 3.33Å; M143-N146 PolarHBondContact O-N 3.4Å; V144-N146 PolarHBondContact O-N 2.94Å; N146-G150 PolarHBondContact O-N 2.67Å |
| 147 | R | 95.6 | Very high | 96.6 | Very high | 164 Ų | 164 | 79.9 Ų | 79.9 | 62% | 0.619 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -68.6 | -41.4 | 178.3 | -67.3 | -66.2 | -178.6 | -169.9 | -0.8 | 111.4 | L118 M143 V144 E145 N149 G150 V151 | L118-R147 HydrophobicContact CD2-CG 4.41Å; M143-R147 HydrophobicContact CG-CG 4.44Å; M143-R147 WeakPolarHBondContact O-CG 3.46Å; M143-R147 PolarHBondContact O-N 3.42Å; V144-R147 PolarHBondContact O-N 3.36Å; E145-R147 VanDerWaalsContact C-N 3.33Å; E145-R147 PolarHBondContact O-N 3.44Å; R147-N149 VanDerWaalsContact C-N 3.34Å; R147-G150 PolarHBondContact O-N 3.04Å; R147-V151 WeakPolarHBondContact O-CG2 3.48Å; R147-V151 PolarHBondContact O-N 2.72Å |
| 148 | L | 97.3 | Very high | 96.6 | Very high | 98 Ų | 98 | 81.8 Ų | 81.8 | 51% | 0.513 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 175.7 | -72.6 | 175.3 | 0 | 0 | 0 | 111.5 | V144 E145 V151 K152 | V144-L148 HydrophobicContact CG1-CD1 3.84Å; V144-L148 HydrophobicContact CG1-CG 4.25Å; V144-L148 WeakPolarHBondContact O-CG 3.27Å; V144-L148 PolarHBondContact O-N 3.47Å; E145-L148 PolarHBondContact O-N 3.4Å; L148-V151 PolarHBondContact O-N 3.36Å; L148-K152 WeakPolarHBondContact O-CG 3.38Å; L148-K152 PolarHBondContact O-N 2.75Å |
| 149 | N | 97.7 | Very high | 96.5 | Very high | 61 Ų | 61 | 84.3 Ų | 84.3 | 33% | 0.326 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 175.3 | -67.7 | -21.5 | 0 | 0 | 0 | 111.4 | E145 R147 V151 K152 D153 | E145-N149 VanDerWaalsContact O-CG 3.29Å; E145-N149 PolarHBondContact O-N 2.77Å; E145-N149 PolarHBondContact O-ND2 2.81Å; R147-N149 VanDerWaalsContact C-N 3.34Å; N149-V151 VanDerWaalsContact C-N 3.28Å; N149-V151 PolarHBondContact O-N 3.01Å; N149-K152 WeakPolarHBondContact O-CB 3.44Å; N149-K152 PolarHBondContact O-N 3.4Å; N149-K152 VanDerWaalsContact O-N 3.15Å; N149-K152 PolarHBondContact OD1-NZ 3.31Å; N149-D153 PolarHBondContact O-N 2.91Å |
| 150 | G | 97.2 | Very high | 96.4 | Very high | 41 Ų | 41 | 87 Ų | 87 | 42% | 0.423 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.1 | -35.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | N146 R147 A154 | N146-G150 PolarHBondContact O-N 2.67Å; R147-G150 PolarHBondContact O-N 3.04Å; G150-A154 WeakPolarHBondContact O-CB 3.39Å; G150-A154 PolarHBondContact O-N 3.45Å; G150-A154 VanDerWaalsContact O-N 3.14Å |
| 151 | V | 97.3 | Very high | 96 | Very high | 84 Ų | 84 | 89.4 Ų | 89.4 | 51% | 0.509 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -69.9 | -42.1 | 174.2 | 171 | 0 | 0 | 0 | 0 | 111.4 | R147 L148 N149 A154 I155 | R147-V151 WeakPolarHBondContact O-CG2 3.48Å; R147-V151 PolarHBondContact O-N 2.72Å; L148-V151 PolarHBondContact O-N 3.36Å; N149-V151 VanDerWaalsContact C-N 3.28Å; N149-V151 PolarHBondContact O-N 3.01Å; V151-A154 PolarHBondContact O-N 3.05Å; V151-I155 HydrophobicContact CG1-CD1 3.91Å; V151-I155 HydrophobicContact CG1-CG1 4.47Å; V151-I155 WeakPolarHBondContact O-CG1 3.49Å; V151-I155 PolarHBondContact O-N 3.46Å |
| 152 | K | 97.8 | Very high | 95.7 | Very high | 116 Ų | 116 | 92.6 Ų | 92.6 | 50% | 0.504 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -58.6 | -50.3 | 175.6 | -70.4 | 170.3 | -171.7 | 168.6 | 0 | 111.2 | L148 N149 A154 I155 E156 | L148-K152 WeakPolarHBondContact O-CG 3.38Å; L148-K152 PolarHBondContact O-N 2.75Å; N149-K152 WeakPolarHBondContact O-CB 3.44Å; N149-K152 PolarHBondContact O-N 3.4Å; N149-K152 VanDerWaalsContact O-N 3.15Å; N149-K152 PolarHBondContact OD1-NZ 3.31Å; K152-A154 VanDerWaalsContact C-N 3.25Å; K152-A154 PolarHBondContact O-N 3.39Å; K152-I155 WeakPolarHBondContact O-CB 3.27Å; K152-I155 PolarHBondContact O-N 3.43Å; K152-I155 VanDerWaalsContact O-N 3.09Å; K152-E156 PolarHBondContact O-N 2.98Å |
| 153 | D | 97.6 | Very high | 94.7 | Very high | 74 Ų | 74 | 89.3 Ų | 89.3 | 40% | 0.396 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.6 | -38.8 | 177.7 | -67.8 | -1.7 | 0 | 0 | 0 | 111.8 | N149 R157 | N149-D153 PolarHBondContact O-N 2.91Å; D153-R157 VanDerWaalsContact O-CG 3.26Å; D153-R157 WeakPolarHBondContact O-CG 3.38Å; D153-R157 PolarHBondContact O-N 2.92Å; D153-R157 VanDerWaalsContact O-N 3.08Å |
| 154 | A | 96.6 | Very high | 93 | Very high | 44 Ų | 44 | 91.9 Ų | 91.9 | 36% | 0.364 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.4 | -41 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | G150 V151 K152 R157 L158 | G150-A154 WeakPolarHBondContact O-CB 3.39Å; G150-A154 PolarHBondContact O-N 3.45Å; G150-A154 VanDerWaalsContact O-N 3.14Å; V151-A154 PolarHBondContact O-N 3.05Å; K152-A154 VanDerWaalsContact C-N 3.25Å; K152-A154 PolarHBondContact O-N 3.39Å; A154-R157 PolarHBondContact O-N 2.92Å; A154-L158 VanDerWaalsContact O-CG 3.29Å; A154-L158 WeakPolarHBondContact O-CG 3.06Å; A154-L158 PolarHBondContact O-N 3.41Å |
| 155 | I | 97 | Very high | 91 | Very high | 84 Ų | 84 | 97.7 Ų | 97.7 | 43% | 0.431 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.4 | -46.5 | 175.9 | -69.6 | 166 | 0 | 0 | 0 | 110.4 | V151 K152 R157 L158 Q159 | V151-I155 HydrophobicContact CG1-CD1 3.91Å; V151-I155 HydrophobicContact CG1-CG1 4.47Å; V151-I155 WeakPolarHBondContact O-CG1 3.49Å; V151-I155 PolarHBondContact O-N 3.46Å; K152-I155 WeakPolarHBondContact O-CB 3.27Å; K152-I155 PolarHBondContact O-N 3.43Å; K152-I155 VanDerWaalsContact O-N 3.09Å; I155-R157 PolarHBondContact O-N 3.03Å; I155-L158 PolarHBondContact O-N 3.47Å; I155-Q159 HydrophobicContact CG2-CG 4.45Å; I155-Q159 VanDerWaalsContact O-CG 3.3Å; I155-Q159 WeakPolarHBondContact O-CG 3.38Å; I155-Q159 PolarHBondContact O-N 3.44Å |
| 156 | E | 96.1 | Very high | 88.6 | Confident | 122 Ų | 122 | 95.9 Ų | 95.9 | 57% | 0.57 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -61.7 | -43 | 179.2 | -70 | 178.1 | -176.4 | 0 | 0 | 112.3 | K152 L158 Q159 A160 | K152-E156 PolarHBondContact O-N 2.98Å; E156-L158 PolarHBondContact O-N 3.01Å; E156-Q159 PolarHBondContact O-N 3.01Å; E156-A160 PolarHBondContact O-N 2.9Å |
| 157 | R | 95.2 | Very high | 86.1 | Confident | 178 Ų | 178 | 95.6 Ų | 95.6 | 67% | 0.672 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63 | -41.6 | 176.3 | -71.3 | 172.6 | -164.4 | 169.7 | 7.9 | 112.3 | D153 A154 I155 Q159 A160 A161 | D153-R157 VanDerWaalsContact O-CG 3.26Å; D153-R157 WeakPolarHBondContact O-CG 3.38Å; D153-R157 PolarHBondContact O-N 2.92Å; D153-R157 VanDerWaalsContact O-N 3.08Å; A154-R157 PolarHBondContact O-N 2.92Å; I155-R157 PolarHBondContact O-N 3.03Å; R157-Q159 VanDerWaalsContact C-N 3.35Å; R157-A160 PolarHBondContact O-N 3.33Å; R157-A161 WeakPolarHBondContact O-CB 3.15Å; R157-A161 PolarHBondContact O-N 3.09Å |
| 158 | L | 95 | Very high | 83.5 | Confident | 122 Ų | 122 | 96.4 Ų | 96.4 | 64% | 0.639 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.3 | -41.8 | 176.7 | -72.2 | 171.5 | 0 | 0 | 0 | 111 | A154 I155 E156 A161 T162 | A154-L158 VanDerWaalsContact O-CG 3.29Å; A154-L158 WeakPolarHBondContact O-CG 3.06Å; A154-L158 PolarHBondContact O-N 3.41Å; I155-L158 PolarHBondContact O-N 3.47Å; E156-L158 PolarHBondContact O-N 3.01Å; L158-A161 PolarHBondContact O-N 3.4Å; L158-T162 WeakPolarHBondContact O-CG2 3.45Å; L158-T162 PolarHBondContact O-N 2.92Å; L158-T162 PolarHBondContact O-OG1 3.03Å |
| 159 | Q | 94.1 | Very high | 80.8 | Confident | 117 Ų | 117 | 99.6 Ų | 99.6 | 55% | 0.547 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63 | -45.4 | 176.1 | -71.6 | 172.4 | -8.1 | 0 | 0 | 112.1 | I155 E156 R157 A161 T162 A163 | I155-Q159 HydrophobicContact CG2-CG 4.45Å; I155-Q159 VanDerWaalsContact O-CG 3.3Å; I155-Q159 WeakPolarHBondContact O-CG 3.38Å; I155-Q159 PolarHBondContact O-N 3.44Å; E156-Q159 PolarHBondContact O-N 3.01Å; R157-Q159 VanDerWaalsContact C-N 3.35Å; Q159-A161 PolarHBondContact O-N 2.95Å; Q159-T162 WeakPolarHBondContact CA-OG1 3.48Å; Q159-T162 PolarHBondContact O-N 2.85Å; Q159-T162 PolarHBondContact O-OG1 2.83Å; Q159-A163 PolarHBondContact O-N 3.47Å |
| 160 | A | 92.4 | Very high | 78.1 | Confident | 67 Ų | 67 | 102.5 Ų | 102.5 | 55% | 0.554 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -61.7 | -41.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E156 R157 T162 A163 G164 | E156-A160 PolarHBondContact O-N 2.9Å; R157-A160 PolarHBondContact O-N 3.33Å; A160-T162 VanDerWaalsContact C-N 3.32Å; A160-T162 PolarHBondContact O-N 3.03Å; A160-A163 PolarHBondContact O-N 3.09Å; A160-G164 PolarHBondContact O-N 3.37Å; A160-G164 VanDerWaalsContact O-N 3.16Å |
| 161 | A | 89.5 | Confident | 75.4 | Confident | 57 Ų | 57 | 106.6 Ų | 106.6 | 47% | 0.471 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -65 | -35.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | R157 L158 Q159 K165 | R157-A161 WeakPolarHBondContact O-CB 3.15Å; R157-A161 PolarHBondContact O-N 3.09Å; L158-A161 PolarHBondContact O-N 3.4Å; Q159-A161 PolarHBondContact O-N 2.95Å; A161-K165 PolarHBondContact O-N 3.17Å |
| 162 | T | 88.1 | Confident | 72.6 | Confident | 107 Ų | 107 | 110 Ų | 110 | 66% | 0.656 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -72.2 | -32.6 | 175.1 | 56.9 | 0 | 0 | 0 | 0 | 112.9 | L158 Q159 A160 | L158-T162 WeakPolarHBondContact O-CG2 3.45Å; L158-T162 PolarHBondContact O-N 2.92Å; L158-T162 PolarHBondContact O-OG1 3.03Å; Q159-T162 WeakPolarHBondContact CA-OG1 3.48Å; Q159-T162 PolarHBondContact O-N 2.85Å; Q159-T162 PolarHBondContact O-OG1 2.83Å; A160-T162 VanDerWaalsContact C-N 3.32Å; A160-T162 PolarHBondContact O-N 3.03Å |
| 163 | A | 76 | Confident | 69.9 | Low | 83 Ų | 83 | 110.1 Ų | 110.1 | 69% | 0.686 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -70.7 | -32.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q159 A160 | Q159-A163 PolarHBondContact O-N 3.47Å; A160-A163 PolarHBondContact O-N 3.09Å |
| 164 | G | 62 | Low | 67.1 | Low | 70 Ų | 70 | 113.7 Ų | 113.7 | 72% | 0.722 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -83.9 | -12.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | A160 | A160-G164 PolarHBondContact O-N 3.37Å; A160-G164 VanDerWaalsContact O-N 3.16Å |
| 165 | K | 55.1 | Low | 64.9 | Low | 176 Ų | 176 | 117.7 Ų | 117.7 | 77% | 0.765 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | 20.5 | -179.2 | -78.4 | -170 | 174.7 | -175.7 | 0 | 114.3 | A161 G167 | A161-K165 PolarHBondContact O-N 3.17Å; K165-G167 PolarHBondContact O-N 3Å |
| 166 | G | 46.5 | Very low | 62.5 | Low | 80 Ų | 80 | 117.8 Ų | 117.8 | 83% | 0.825 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -69.5 | 76.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 167 | G | 44.9 | Very low | 59.9 | Low | 62 Ų | 62 | 118.6 Ų | 118.6 | 64% | 0.639 | 72% | 0.723 | S | S | * | * | S | Bend | trans | 142 | 61.2 | 170 | 0 | 0 | 0 | 0 | 0 | 115.6 | K165 | K165-G167 PolarHBondContact O-N 3Š|
| 168 | Q | 40.1 | Very low | 57.1 | Low | 182 Ų | 182 | 114.3 Ų | 114.3 | 85% | 0.85 | 73% | 0.726 | S | S | * | * | trans | -168.5 | 117.9 | 146.2 | -106.4 | 160.6 | 54.2 | 0 | 0 | 109.4 | V170 | Q168-V170 PolarHBondContact O-N 3.41Š| ||
| 169 | D | 41.2 | Very low | 54.2 | Low | 164 Ų | 164 | 114.8 Ų | 114.8 | 88% | 0.877 | 73% | 0.734 | S | S | * | * | trans | -51.2 | 105 | 174.3 | -77 | -48.8 | 0 | 0 | 0 | 110.9 | V171 | D169-V171 PolarHBondContact O-N 3.1Š| ||
| 170 | V | 41.2 | Very low | 51.5 | Low | 123 Ų | 123 | 114.5 Ų | 114.5 | 75% | 0.745 | 74% | 0.741 | S | S | * | * | trans | -91.2 | 93.3 | 165.3 | -177.1 | 0 | 0 | 0 | 0 | 106.8 | Q168 L172 | Q168-V170 PolarHBondContact O-N 3.41Å; V170-L172 PolarHBondContact O-N 3.48Å | ||
| 171 | V | 39.4 | Very low | 48.9 | Very low | 126 Ų | 126 | 118.4 Ų | 118.4 | 76% | 0.764 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -54 | 119.7 | 164.9 | 172.4 | 0 | 0 | 0 | 0 | 108.2 | D169 P173 | D169-V171 PolarHBondContact O-N 3.1Å; V171-P173 WeakPolarHBondContact O-CD 3.44Å |
| 172 | L | 38.9 | Very low | 46.3 | Very low | 157 Ų | 157 | 123 Ų | 123 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 125.4 | 172.7 | -88.3 | 83.4 | 0 | 0 | 0 | 109.7 | V170 | V170-L172 PolarHBondContact O-N 3.48Š|
| 173 | P | 41.3 | Very low | 43.8 | Very low | 117 Ų | 117 | 126.5 Ų | 126.5 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 131 | 164.3 | 29.7 | -27.3 | 0 | 0 | 0 | 109.8 | V171 | V171-P173 WeakPolarHBondContact O-CD 3.44Š|
| 174 | D | 37.8 | Very low | 42 | Very low | 149 Ų | 149 | 129.9 Ų | 129.9 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 141.4 | 179 | -97.8 | -42.8 | 0 | 0 | 0 | 113.4 | A176 | D174-A176 VanDerWaalsContact C-N 3.3Å; D174-A176 PolarHBondContact O-N 3.02Å; D174-A176 VanDerWaalsContact O-N 3.08Å |
| 175 | P | 50.2 | Low | 40.5 | Very low | 128 Ų | 128 | 135.5 Ų | 135.5 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | 20.4 | -165.7 | 32.3 | -35.8 | 0 | 0 | 0 | 116.2 | ||
| 176 | A | 47.3 | Very low | 39.5 | Very low | 87 Ų | 87 | 134.1 Ų | 134.1 | 72% | 0.719 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | -5.9 | -165.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | D174 | D174-A176 VanDerWaalsContact C-N 3.3Å; D174-A176 PolarHBondContact O-N 3.02Å; D174-A176 VanDerWaalsContact O-N 3.08Å |
| 177 | T | 40.9 | Very low | 38.8 | Very low | 138 Ų | 138 | 135.3 Ų | 135.3 | 85% | 0.847 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -136.1 | 21.6 | -170.1 | 27.6 | 0 | 0 | 0 | 0 | 117.7 | ||
| 178 | A | 37 | Very low | 38.3 | Very low | 88 Ų | 88 | 141.5 Ų | 141.5 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -104.2 | 61 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T180 | A178-T180 PolarHBondContact O-N 3.14Š| ||
| 179 | T | 34.8 | Very low | 38.1 | Very low | 133 Ų | 133 | 138.5 Ų | 138.5 | 82% | 0.816 | 79% | 0.789 | S | S | * | * | trans | -78.9 | 75.2 | 160.6 | -57.6 | 0 | 0 | 0 | 0 | 107.7 | N181 | T179-N181 PolarHBondContact O-N 3.12Š| ||
| 180 | T | 37.7 | Very low | 37.7 | Very low | 111 Ų | 111 | 135.9 Ų | 135.9 | 68% | 0.681 | 78% | 0.784 | S | S | * | * | trans | -84.5 | 100.3 | 173.9 | -14.5 | 0 | 0 | 0 | 0 | 107.6 | A178 L182 | A178-T180 PolarHBondContact O-N 3.14Å; T180-L182 VanDerWaalsContact C-N 3.33Å; T180-L182 PolarHBondContact O-N 3.15Å | ||
| 181 | N | 37.2 | Very low | 37.3 | Very low | 148 Ų | 148 | 137.5 Ų | 137.5 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | -48.7 | 92.3 | 168.2 | -101.3 | -31.2 | 0 | 0 | 0 | 110.4 | T179 | T179-N181 PolarHBondContact O-N 3.12Š| ||
| 182 | L | 34.5 | Very low | 37 | Very low | 153 Ų | 153 | 138.8 Ų | 138.8 | 80% | 0.801 | 79% | 0.789 | S | S | * | * | trans | -100.8 | 79.1 | 167.8 | -75.2 | 169.4 | 0 | 0 | 0 | 107.4 | T180 L184 | T180-L182 VanDerWaalsContact C-N 3.33Å; T180-L182 PolarHBondContact O-N 3.15Å; L182-L184 PolarHBondContact O-N 2.85Å | ||
| 183 | Q | 35.1 | Very low | 36.8 | Very low | 181 Ų | 181 | 136.4 Ų | 136.4 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -70.3 | 103.1 | 172.4 | -161 | 159.6 | 8.5 | 0 | 0 | 108.1 | Q185 | Q183-Q185 PolarHBondContact O-N 3.13Š| ||
| 184 | L | 38.3 | Very low | 36.4 | Very low | 154 Ų | 154 | 139.1 Ų | 139.1 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | trans | -62 | 98.3 | 179.4 | -77.2 | 155 | 0 | 0 | 0 | 110.3 | L182 L186 | L182-L184 PolarHBondContact O-N 2.85Å; L184-L186 PolarHBondContact O-N 3.17Å | ||
| 185 | Q | 32.3 | Very low | 36.2 | Very low | 189 Ų | 189 | 137.9 Ų | 137.9 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | trans | -85.3 | 94.6 | 170.6 | -152.1 | 154.8 | -34.8 | 0 | 0 | 108.4 | Q183 | Q183-Q185 PolarHBondContact O-N 3.13Š| ||
| 186 | L | 33.5 | Very low | 35.3 | Very low | 147 Ų | 147 | 136.5 Ų | 136.5 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | trans | -53.8 | 131 | 174.4 | -152.7 | 79 | 0 | 0 | 0 | 108.9 | L184 Q188 | L184-L186 PolarHBondContact O-N 3.17Å; L186-Q188 PolarHBondContact O-N 3.48Å | ||
| 187 | P | 31.6 | Very low | 34.4 | Very low | 104 Ų | 104 | 143.8 Ų | 143.8 | 68% | 0.675 | 79% | 0.79 | S | S | * | * | trans | -63.4 | 109.2 | 175.8 | 23 | -29.5 | 0 | 0 | 0 | 108.4 | V189 | P187-V189 VanDerWaalsContact C-N 3.28Å; P187-V189 PolarHBondContact O-N 2.74Å | ||
| 188 | Q | 34.2 | Very low | 34 | Very low | 192 Ų | 192 | 141.6 Ų | 141.6 | 90% | 0.897 | 78% | 0.78 | S | S | * | * | trans | -66.6 | 92.3 | 172.5 | -67.1 | -148.5 | -63.2 | 0 | 0 | 108.3 | L186 S190 | L186-Q188 PolarHBondContact O-N 3.48Å; Q188-S190 PolarHBondContact O-N 2.94Å; Q188-S190 VanDerWaalsContact O-N 3.11Å | ||
| 189 | V | 35 | Very low | 33.7 | Very low | 119 Ų | 119 | 143.9 Ų | 143.9 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | trans | -70.6 | 106.1 | 165.2 | -171.9 | 0 | 0 | 0 | 0 | 105.6 | P187 L191 | P187-V189 VanDerWaalsContact C-N 3.28Å; P187-V189 PolarHBondContact O-N 2.74Å; V189-L191 VanDerWaalsContact C-N 3.26Å; V189-L191 PolarHBondContact O-N 3.08Å | ||
| 190 | S | 33.6 | Very low | 33.5 | Very low | 110 Ų | 110 | 144.8 Ų | 144.8 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -61.7 | 92.3 | 172.6 | -130.3 | 0 | 0 | 0 | 0 | 108.1 | Q188 L192 | Q188-S190 PolarHBondContact O-N 2.94Å; Q188-S190 VanDerWaalsContact O-N 3.11Å; S190-L192 VanDerWaalsContact C-N 3.27Å; S190-L192 PolarHBondContact O-N 3.09Å | ||
| 191 | L | 33.1 | Very low | 33.2 | Very low | 156 Ų | 156 | 143.6 Ų | 143.6 | 82% | 0.817 | 79% | 0.786 | S | S | * | * | trans | -64.7 | 91.7 | 168.8 | -80.5 | 160.8 | 0 | 0 | 0 | 106.7 | V189 P193 | V189-L191 VanDerWaalsContact C-N 3.26Å; V189-L191 PolarHBondContact O-N 3.08Å; L191-P193 WeakPolarHBondContact O-CD 3.34Å | ||
| 192 | L | 33.2 | Very low | 33.2 | Very low | 153 Ų | 153 | 142.4 Ų | 142.4 | 80% | 0.801 | 79% | 0.787 | S | S | * | * | trans | -59.7 | 123.2 | 162.7 | -76.2 | 170.2 | 0 | 0 | 0 | 106.6 | S190 L194 | S190-L192 VanDerWaalsContact C-N 3.27Å; S190-L192 PolarHBondContact O-N 3.09Å; L192-L194 PolarHBondContact O-N 2.7Å | ||
| 193 | P | 34.7 | Very low | 33.3 | Very low | 107 Ų | 107 | 139.2 Ų | 139.2 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | trans | -56.3 | 132.2 | 177.7 | -20.3 | 30.1 | 0 | 0 | 0 | 109.1 | L191 V195 | L191-P193 WeakPolarHBondContact O-CD 3.34Å; P193-V195 VanDerWaalsContact C-N 3.33Å; P193-V195 PolarHBondContact O-N 3.45Å | ||
| 194 | L | 31.9 | Very low | 33 | Very low | 174 Ų | 174 | 139.2 Ų | 139.2 | 91% | 0.911 | 78% | 0.782 | S | S | * | * | trans | -56.9 | 99.5 | 166 | -82.3 | 137.5 | 0 | 0 | 0 | 107.3 | L192 P196 | L192-L194 PolarHBondContact O-N 2.7Å; L194-P196 WeakPolarHBondContact O-CD 3.03Å | ||
| 195 | V | 35 | Very low | 32.9 | Very low | 123 Ų | 123 | 140.2 Ų | 140.2 | 75% | 0.745 | 78% | 0.782 | S | S | * | * | trans | -65.8 | 119.9 | 175.7 | -170.4 | 0 | 0 | 0 | 0 | 106.4 | P193 Y197 | P193-V195 VanDerWaalsContact C-N 3.33Å; P193-V195 PolarHBondContact O-N 3.45Å; V195-Y197 PolarHBondContact O-N 2.63Å | ||
| 196 | P | 29.9 | Very low | 32.5 | Very low | 100 Ų | 100 | 134.6 Ų | 134.6 | 65% | 0.649 | 78% | 0.776 | S | S | * | * | trans | -62 | 128.1 | 177.1 | -12.3 | 24.7 | 0 | 0 | 0 | 108.3 | L194 S198 | L194-P196 WeakPolarHBondContact O-CD 3.03Å; P196-S198 VanDerWaalsContact C-N 3.32Å; P196-S198 PolarHBondContact O-N 3.08Å; P196-S198 PolarHBondContact O-OG 3.07Å | ||
| 197 | Y | 29.9 | Very low | 32.4 | Very low | 240 Ų | 240 | 136.9 Ų | 136.9 | 94% | 0.941 | 78% | 0.782 | S | S | * | * | trans | -56.8 | 97.1 | 169.7 | -95.6 | -100.4 | 0 | 0 | 0 | 108.5 | V195 | V195-Y197 PolarHBondContact O-N 2.63Š| ||
| 198 | S | 30.9 | Very low | 32.3 | Very low | 91 Ų | 91 | 136.2 Ų | 136.2 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | trans | -90.6 | 112.4 | 173.7 | -55.5 | 0 | 0 | 0 | 0 | 107.2 | P196 D200 | P196-S198 VanDerWaalsContact C-N 3.32Å; P196-S198 PolarHBondContact O-N 3.08Å; P196-S198 PolarHBondContact O-OG 3.07Å; S198-D200 VanDerWaalsContact C-N 3.34Å; S198-D200 PolarHBondContact O-N 3.26Å; S198-D200 VanDerWaalsContact O-N 3.14Å | ||
| 199 | V | 31.4 | Very low | 31.9 | Very low | 137 Ų | 137 | 130.5 Ų | 130.5 | 83% | 0.83 | 78% | 0.778 | S | S | * | * | trans | -78.7 | 87 | 174.4 | -177.6 | 0 | 0 | 0 | 0 | 106.9 | A201 | V199-A201 PolarHBondContact O-N 2.79Š| ||
| 200 | D | 31.3 | Very low | 31.6 | Very low | 151 Ų | 151 | 131 Ų | 131 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | trans | -77.1 | 105.5 | 170.4 | -80.9 | -28.7 | 0 | 0 | 0 | 109.1 | S198 | S198-D200 VanDerWaalsContact C-N 3.34Å; S198-D200 PolarHBondContact O-N 3.26Å; S198-D200 VanDerWaalsContact O-N 3.14Å | ||
| 201 | A | 30 | Very low | 31.3 | Very low | 86 Ų | 86 | 132.5 Ų | 132.5 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | trans | -67.3 | 137.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | V199 A203 | V199-A201 PolarHBondContact O-N 2.79Å; A201-A203 PolarHBondContact O-N 3.3Å | ||
| 202 | P | 38.6 | Very low | 31.2 | Very low | 124 Ų | 124 | 133.3 Ų | 133.3 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | trans | -77.7 | 124.5 | -173.6 | 28.6 | -31.4 | 0 | 0 | 0 | 112.1 | E204 | P202-E204 PolarHBondContact O-N 3.22Š| ||
| 203 | A | 35.2 | Very low | 30.9 | Very low | 86 Ų | 86 | 135.2 Ų | 135.2 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | trans | -80.3 | 112.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | A201 H205 | A201-A203 PolarHBondContact O-N 3.3Å; A203-H205 PolarHBondContact O-N 3.03Å | ||
| 204 | E | 30.5 | Very low | 30.6 | Very low | 181 Ų | 181 | 134.8 Ų | 134.8 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | -63.7 | 122 | 173.7 | -58.5 | -161.6 | 151 | 0 | 0 | 111.1 | P202 | P202-E204 PolarHBondContact O-N 3.22Š| ||
| 205 | H | 34.9 | Very low | 30.4 | Very low | 174 Ų | 174 | 130.7 Ų | 130.7 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | trans | -132.4 | 99.7 | 159.7 | -73.8 | 75.2 | 0 | 0 | 0 | 107.6 | A203 | A203-H205 PolarHBondContact O-N 3.03Š| ||
| 206 | G | 25.2 | Very low | 30.2 | Very low | 72 Ų | 72 | 130 Ų | 130 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | trans | -63.4 | 140.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 207 | H | 31.2 | Very low | 30.7 | Very low | 194 Ų | 194 | 131.6 Ų | 131.6 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | trans | -137.5 | 127.4 | 155.5 | -118.7 | -76 | 0 | 0 | 0 | 109.5 | ||||
| 208 | A | 28.6 | Very low | 31.3 | Very low | 90 Ų | 90 | 125 Ų | 125 | 74% | 0.744 | 78% | 0.779 | S | S | * | * | trans | -58.8 | 144 | -166.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 209 | G | 25.1 | Very low | 32.1 | Very low | 73 Ų | 73 | 129.8 Ų | 129.8 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | trans | -59.3 | 137.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 210 | V | 29.5 | Very low | 33.1 | Very low | 130 Ų | 130 | 125.5 Ų | 125.5 | 79% | 0.788 | 77% | 0.77 | S | S | * | * | trans | -100.1 | 108.6 | 157.5 | 177.4 | 0 | 0 | 0 | 0 | 106 | H212 | V210-H212 PolarHBondContact O-N 3.12Š| ||
| 211 | V | 26.2 | Very low | 34.2 | Very low | 140 Ų | 140 | 121.7 Ų | 121.7 | 85% | 0.848 | 75% | 0.754 | S | S | * | * | trans | -63.8 | 117.9 | 173.8 | -151.4 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 212 | H | 31.4 | Very low | 35.4 | Very low | 174 Ų | 174 | 122.1 Ų | 122.1 | 81% | 0.806 | 75% | 0.751 | S | S | * | * | trans | -106.5 | 119.5 | 165.8 | -112.4 | 43.7 | 0 | 0 | 0 | 108.1 | V210 A214 | V210-H212 PolarHBondContact O-N 3.12Å; H212-A214 PolarHBondContact O-N 3.41Å | ||
| 213 | E | 27.9 | Very low | 36.5 | Very low | 192 Ų | 192 | 119.5 Ų | 119.5 | 90% | 0.897 | 73% | 0.725 | S | S | * | * | trans | -61 | 124.7 | -177.7 | -164 | 161.4 | 175 | 0 | 0 | 110.1 | A215 | E213-A215 PolarHBondContact O-N 3.23Å; E213-A215 VanDerWaalsContact O-N 3.1Å | ||
| 214 | A | 28 | Very low | 37.4 | Very low | 99 Ų | 99 | 116.5 Ų | 116.5 | 82% | 0.818 | 70% | 0.697 | S | S | * | * | trans | -71.1 | 102.1 | -173 | 0 | 0 | 0 | 0 | 0 | 110.5 | H212 A216 | H212-A214 PolarHBondContact O-N 3.41Å; A214-A216 PolarHBondContact O-N 3.08Å | ||
| 215 | A | 27.6 | Very low | 38.5 | Very low | 88 Ų | 88 | 115.1 Ų | 115.1 | 73% | 0.727 | 69% | 0.692 | S | S | * | * | trans | -67.5 | 128.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | E213 Q217 | E213-A215 PolarHBondContact O-N 3.23Å; E213-A215 VanDerWaalsContact O-N 3.1Å; A215-Q217 PolarHBondContact O-N 3.09Å | ||
| 216 | A | 30.9 | Very low | 39.3 | Very low | 108 Ų | 108 | 112.5 Ų | 112.5 | 89% | 0.893 | 68% | 0.681 | S | S | * | * | trans | -51.5 | 108.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A214 | A214-A216 PolarHBondContact O-N 3.08Š| ||
| 217 | Q | 40.9 | Very low | 40.6 | Very low | 133 Ų | 133 | 110 Ų | 110 | 62% | 0.621 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 137 | -174.2 | -147.4 | 162.4 | -23.8 | 0 | 0 | 110.1 | A215 | A215-Q217 PolarHBondContact O-N 3.09Š|
| 218 | P | 41.9 | Very low | 41.4 | Very low | 102 Ų | 102 | 103 Ų | 103 | 66% | 0.662 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 138.2 | -171.8 | -20.5 | 30.9 | 0 | 0 | 0 | 112.5 | A220 | P218-A220 PolarHBondContact O-N 2.93Š|
| 219 | Q | 47.6 | Very low | 42.3 | Very low | 191 Ų | 191 | 106.3 Ų | 106.3 | 89% | 0.893 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 121.5 | 177.3 | -67.7 | -177.3 | -19.7 | 0 | 0 | 110 | ||
| 220 | A | 52.6 | Low | 43.4 | Very low | 47 Ų | 47 | 103.6 Ų | 103.6 | 39% | 0.388 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -58.3 | 134.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | P218 S222 L224 | P218-A220 PolarHBondContact O-N 2.93Å; A220-S222 PolarHBondContact O-N 3.18Å; A220-L224 HydrophobicContact CB-CD2 3.7Å |
| 221 | P | 54 | Low | 43.8 | Very low | 72 Ų | 72 | 99.5 Ų | 99.5 | 47% | 0.468 | 58% | 0.578 | S | S | . | * | P | Polyproline II helix | trans | -62.4 | 137.6 | -178 | 24.6 | -33 | 0 | 0 | 0 | 110.8 | W223 L224 | P221-W223 PolarHBondContact O-N 2.8Å; P221-L224 WeakPolarHBondContact O-CB 3.14Å; P221-L224 PolarHBondContact O-N 3.47Å |
| 222 | S | 56 | Low | 44.2 | Very low | 94 Ų | 94 | 94.9 Ų | 94.9 | 66% | 0.657 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -47.8 | -36 | -170.4 | -174 | 0 | 0 | 0 | 0 | 115.2 | A220 L224 M225 E226 | A220-S222 PolarHBondContact O-N 3.18Å; S222-L224 PolarHBondContact O-N 3.42Å; S222-M225 PolarHBondContact O-N 2.97Å; S222-E226 PolarHBondContact O-N 2.9Å |
| 223 | W | 62.2 | Low | 44.6 | Very low | 70 Ų | 70 | 91.1 Ų | 91.1 | 27% | 0.265 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.1 | -23.9 | 179 | 75.9 | -87.1 | 0 | 0 | 0 | 112.6 | V62 A66 P221 E226 V227 | V62-W223 HydrophobicContact CG1-CH2 3.71Å; V62-W223 HydrophobicContact CG1-CZ2 3.13Å; A66-W223 HydrophobicContact CB-CZ3 4.4Å; P221-W223 PolarHBondContact O-N 2.8Å; W223-E226 CarbonylContact O-C 3.48Å; W223-E226 WeakPolarHBondContact O-CB 3.26Å; W223-E226 PolarHBondContact O-N 3.35Å; W223-V227 HydrophobicContact CE3-CB 4.46Å; W223-V227 HydrophobicContact CE3-CG2 3.58Å; W223-V227 HydrophobicContact CZ3-CB 4.42Å; W223-V227 HydrophobicContact CZ3-CG2 3.71Å; W223-V227 WeakPolarHBondContact O-CG2 3.47Å; W223-V227 PolarHBondContact O-N 3.19Å |
| 224 | L | 52.7 | Low | 45.1 | Very low | 22 Ų | 22 | 84.8 Ų | 84.8 | 12% | 0.115 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -65.9 | -43 | 176.6 | -166.4 | 77.8 | 0 | 0 | 0 | 111.3 | P55 A220 P221 S222 E226 V227 A228 | P55-L224 HydrophobicContact CG-CD1 3.63Å; P55-L224 HydrophobicContact CG-CD2 4.35Å; P55-L224 HydrophobicContact CG-CG 4.32Å; A220-L224 HydrophobicContact CB-CD2 3.7Å; P221-L224 WeakPolarHBondContact O-CB 3.14Å; P221-L224 PolarHBondContact O-N 3.47Å; S222-L224 PolarHBondContact O-N 3.42Å; L224-E226 VanDerWaalsContact C-N 3.3Å; L224-V227 PolarHBondContact O-N 3.26Å; L224-A228 WeakPolarHBondContact O-CB 3.38Å; L224-A228 PolarHBondContact O-N 3.26Å |
| 225 | M | 53.8 | Low | 45.4 | Very low | 152 Ų | 152 | 81.9 Ų | 81.9 | 75% | 0.749 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.6 | -40 | 171.7 | -92 | -107.8 | -151.3 | 0 | 0 | 110.7 | S222 V227 A228 K229 | S222-M225 PolarHBondContact O-N 2.97Å; M225-V227 VanDerWaalsContact C-N 3.32Å; M225-V227 PolarHBondContact O-N 3.19Å; M225-A228 PolarHBondContact O-N 2.8Å; M225-K229 WeakPolarHBondContact O-CB 3.15Å; M225-K229 PolarHBondContact O-N 2.85Å |
| 226 | E | 52.6 | Low | 45.5 | Very low | 120 Ų | 120 | 80.4 Ų | 80.4 | 56% | 0.561 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.4 | -33.4 | 174 | -72.1 | -177.1 | 165.5 | 0 | 0 | 112.7 | S222 W223 L224 A230 | S222-E226 PolarHBondContact O-N 2.9Å; W223-E226 CarbonylContact O-C 3.48Å; W223-E226 WeakPolarHBondContact O-CB 3.26Å; W223-E226 PolarHBondContact O-N 3.35Å; L224-E226 VanDerWaalsContact C-N 3.3Å; E226-A230 WeakPolarHBondContact O-CA 2.92Å; E226-A230 WeakPolarHBondContact O-CB 3.38Å; E226-A230 PolarHBondContact O-N 3.23Å |
| 227 | V | 51 | Low | 45.4 | Very low | 19 Ų | 19 | 80.9 Ų | 80.9 | 12% | 0.115 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -75.5 | -34.8 | 174.5 | 170.5 | 0 | 0 | 0 | 0 | 111.7 | L69 W223 L224 M225 A230 G231 | L69-V227 HydrophobicContact CD2-CB 4.37Å; L69-V227 HydrophobicContact CD2-CG1 3.7Å; L69-V227 HydrophobicContact CD2-CG2 3.66Å; W223-V227 HydrophobicContact CE3-CB 4.46Å; W223-V227 HydrophobicContact CE3-CG2 3.58Å; W223-V227 HydrophobicContact CZ3-CB 4.42Å; W223-V227 HydrophobicContact CZ3-CG2 3.71Å; W223-V227 WeakPolarHBondContact O-CG2 3.47Å; W223-V227 PolarHBondContact O-N 3.19Å; L224-V227 PolarHBondContact O-N 3.26Å; M225-V227 VanDerWaalsContact C-N 3.32Å; M225-V227 PolarHBondContact O-N 3.19Å; V227-A230 CarbonylContact O-C 3.48Å; V227-G231 WeakPolarHBondContact O-CA 3.4Å; V227-G231 PolarHBondContact O-N 2.76Å |
| 228 | A | 50 | Low | 45 | Very low | 46 Ų | 46 | 80 Ų | 80 | 38% | 0.38 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68 | -44.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y48 L224 M225 G231 G232 | Y48-A228 HydrophobicContact CE1-CB 4.35Å; Y48-A228 WeakPolarHBondContact OH-CB 3.43Å; L224-A228 WeakPolarHBondContact O-CB 3.38Å; L224-A228 PolarHBondContact O-N 3.26Å; M225-A228 PolarHBondContact O-N 2.8Å; A228-G231 PolarHBondContact O-N 2.84Å; A228-G231 VanDerWaalsContact O-N 3.15Å; A228-G232 PolarHBondContact O-N 2.75Å; A228-G232 VanDerWaalsContact O-N 3.14Å |
| 229 | K | 47.5 | Very low | 44.3 | Very low | 160 Ų | 160 | 84.1 Ų | 84.1 | 70% | 0.696 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -67.4 | -43.9 | 177.2 | -163.1 | 175.5 | -174.4 | -177.3 | 0 | 111 | M225 G231 G232 D233 | M225-K229 WeakPolarHBondContact O-CB 3.15Å; M225-K229 PolarHBondContact O-N 2.85Å; K229-G231 VanDerWaalsContact C-N 3.26Å; K229-G231 PolarHBondContact O-N 3.22Å; K229-G232 WeakPolarHBondContact O-CA 3.49Å; K229-G232 PolarHBondContact O-N 3.29Å; K229-G232 VanDerWaalsContact O-N 3.12Å; K229-D233 PolarHBondContact O-N 2.81Å |
| 230 | A | 46.4 | Very low | 43.3 | Very low | 16 Ų | 16 | 80.6 Ų | 80.6 | 13% | 0.132 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -69.9 | -21.9 | 171 | 0 | 0 | 0 | 0 | 0 | 112.3 | E226 V227 G232 D233 L234 | E226-A230 WeakPolarHBondContact O-CA 2.92Å; E226-A230 WeakPolarHBondContact O-CB 3.38Å; E226-A230 PolarHBondContact O-N 3.23Å; V227-A230 CarbonylContact O-C 3.48Å; A230-G232 VanDerWaalsContact C-N 3.25Å; A230-D233 CarbonylContact O-C 3.51Å; A230-D233 PolarHBondContact O-N 3.16Å; A230-L234 WeakPolarHBondContact O-CA 3.5Å; A230-L234 WeakPolarHBondContact O-CB 3.31Å; A230-L234 WeakPolarHBondContact O-CG 3.42Å; A230-L234 PolarHBondContact O-N 2.9Å |
| 231 | G | 37.9 | Very low | 42.1 | Very low | 44 Ų | 44 | 81.4 Ų | 81.4 | 45% | 0.454 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.7 | -33.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111 | V227 A228 K229 | V227-G231 WeakPolarHBondContact O-CA 3.4Å; V227-G231 PolarHBondContact O-N 2.76Å; A228-G231 PolarHBondContact O-N 2.84Å; A228-G231 VanDerWaalsContact O-N 3.15Å; K229-G231 VanDerWaalsContact C-N 3.26Å; K229-G231 PolarHBondContact O-N 3.22Å |
| 232 | G | 35.9 | Very low | 40.9 | Very low | 44 Ų | 44 | 86.6 Ų | 86.6 | 45% | 0.454 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.7 | -49.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A228 K229 A230 L234 G235 A236 | A228-G232 PolarHBondContact O-N 2.75Å; A228-G232 VanDerWaalsContact O-N 3.14Å; K229-G232 WeakPolarHBondContact O-CA 3.49Å; K229-G232 PolarHBondContact O-N 3.29Å; K229-G232 VanDerWaalsContact O-N 3.12Å; A230-G232 VanDerWaalsContact C-N 3.25Å; G232-L234 PolarHBondContact O-N 3.21Å; G232-G235 CarbonylContact O-C 3.57Å; G232-G235 PolarHBondContact O-N 3.35Å; G232-G235 VanDerWaalsContact O-N 3.17Å; G232-A236 VanDerWaalsContact O-CB 3.27Å; G232-A236 WeakPolarHBondContact O-CB 3.39Å; G232-A236 PolarHBondContact O-N 2.92Å |
| 233 | D | 39.2 | Very low | 39.6 | Very low | 95 Ų | 95 | 85.3 Ų | 85.3 | 51% | 0.508 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -73.1 | -24.2 | -178.8 | -67.8 | -30.4 | 0 | 0 | 0 | 114.6 | K229 A230 G235 A236 L237 | K229-D233 PolarHBondContact O-N 2.81Å; A230-D233 CarbonylContact O-C 3.51Å; A230-D233 PolarHBondContact O-N 3.16Å; D233-G235 PolarHBondContact O-N 3.35Å; D233-A236 CarbonylContact O-C 3.58Å; D233-A236 PolarHBondContact O-N 2.86Å; D233-A236 VanDerWaalsContact O-N 3.13Å; D233-L237 PolarHBondContact O-N 3.14Å |
| 234 | L | 39.3 | Very low | 38 | Very low | 59 Ų | 59 | 86.1 Ų | 86.1 | 31% | 0.309 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69.4 | -26.8 | 172.1 | -76.8 | 168.8 | 0 | 0 | 0 | 110.3 | F72 M84 A230 G232 | F72-L234 HydrophobicContact CE1-CD2 3.79Å; M84-L234 WeakPolarHBondContact CE-O 3.32Å; M84-L234 VanDerWaalsContact SD-O 3.41Å; A230-L234 WeakPolarHBondContact O-CA 3.5Å; A230-L234 WeakPolarHBondContact O-CB 3.31Å; A230-L234 WeakPolarHBondContact O-CG 3.42Å; A230-L234 PolarHBondContact O-N 2.9Å; G232-L234 PolarHBondContact O-N 3.21Å |
| 235 | G | 34.5 | Very low | 36.9 | Very low | 37 Ų | 37 | 88.4 Ų | 88.4 | 38% | 0.381 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -88.8 | -21.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | G232 D233 | G232-G235 CarbonylContact O-C 3.57Å; G232-G235 PolarHBondContact O-N 3.35Å; G232-G235 VanDerWaalsContact O-N 3.17Å; D233-G235 PolarHBondContact O-N 3.35Å |
| 236 | A | 29 | Very low | 35.8 | Very low | 57 Ų | 57 | 93.3 Ų | 93.3 | 47% | 0.471 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -104.1 | 10.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | G232 D233 V238 | G232-A236 VanDerWaalsContact O-CB 3.27Å; G232-A236 WeakPolarHBondContact O-CB 3.39Å; G232-A236 PolarHBondContact O-N 2.92Å; D233-A236 CarbonylContact O-C 3.58Å; D233-A236 PolarHBondContact O-N 2.86Å; D233-A236 VanDerWaalsContact O-N 3.13Å; A236-V238 PolarHBondContact O-N 3.17Å |
| 237 | L | 28.8 | Very low | 34.7 | Very low | 118 Ų | 118 | 89.9 Ų | 89.9 | 62% | 0.618 | 57% | 0.571 | S | S | * | * | trans | -70.1 | 59.8 | 155 | -109.1 | 102.5 | 0 | 0 | 0 | 109.3 | D233 Y239 | D233-L237 PolarHBondContact O-N 3.14Å; L237-Y239 PolarHBondContact O-N 3.33Å; L237-Y239 VanDerWaalsContact O-N 3.09Å | ||
| 238 | V | 31.9 | Very low | 33.8 | Very low | 115 Ų | 115 | 94.7 Ų | 94.7 | 70% | 0.697 | 61% | 0.605 | S | S | * | * | trans | -61.1 | 110.1 | 166.8 | 175.7 | 0 | 0 | 0 | 0 | 105.3 | A236 S240 | A236-V238 PolarHBondContact O-N 3.17Å; V238-S240 PolarHBondContact O-N 2.83Å | ||
| 239 | Y | 27.2 | Very low | 32.9 | Very low | 189 Ų | 189 | 102.1 Ų | 102.1 | 74% | 0.741 | 63% | 0.629 | S | S | * | * | trans | -44.3 | 94 | 174.4 | -162.7 | -99.7 | 0 | 0 | 0 | 110.7 | L237 G241 | L237-Y239 PolarHBondContact O-N 3.33Å; L237-Y239 VanDerWaalsContact O-N 3.09Å; Y239-G241 PolarHBondContact O-N 3.26Å; Y239-G241 VanDerWaalsContact O-N 3.08Å | ||
| 240 | S | 27.4 | Very low | 31.8 | Very low | 116 Ų | 116 | 98.1 Ų | 98.1 | 81% | 0.811 | 63% | 0.634 | S | S | * | * | trans | -73.7 | 98.4 | 168.3 | 59 | 0 | 0 | 0 | 0 | 107.7 | V238 | V238-S240 PolarHBondContact O-N 2.83Š| ||
| 241 | G | 26.9 | Very low | 30.9 | Very low | 64 Ų | 64 | 101.2 Ų | 101.2 | 66% | 0.66 | 67% | 0.667 | S | S | * | * | trans | 24 | 104.2 | 159 | 0 | 0 | 0 | 0 | 0 | 118.4 | Y239 | Y239-G241 PolarHBondContact O-N 3.26Å; Y239-G241 VanDerWaalsContact O-N 3.08Å | ||
| 242 | F | 28.4 | Very low | 30.6 | Very low | 181 Ų | 181 | 104.2 Ų | 104.2 | 79% | 0.794 | 69% | 0.687 | S | S | * | * | trans | -117.4 | 93.4 | 139.3 | -143.8 | -96.3 | 0 | 0 | 0 | 108.5 | ||||
| 243 | G | 29 | Very low | 30.1 | Very low | 68 Ų | 68 | 106.2 Ų | 106.2 | 70% | 0.701 | 71% | 0.708 | S | S | * | * | trans | -64.8 | 146.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 244 | G | 28.1 | Very low | 29.5 | Very low | 87 Ų | 87 | 105.3 Ų | 105.3 | 90% | 0.897 | 72% | 0.721 | S | S | * | * | trans | 72.2 | 52.2 | 147.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 245 | G | 29.3 | Very low | 29 | Very low | 69 Ų | 69 | 109.1 Ų | 109.1 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | trans | -113.2 | 90.6 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | G247 | G245-G247 PolarHBondContact O-N 3.48Š| ||
| 246 | R | 31.1 | Very low | 28.7 | Very low | 256 Ų | 256 | 112.9 Ų | 112.9 | 97% | 0.966 | 77% | 0.767 | S | S | * | * | trans | -70.4 | 72.7 | 173 | -146.3 | 169.1 | 80.4 | -151 | 6.9 | 108.9 | S248 | R246-S248 PolarHBondContact O-N 3.34Š| ||
| 247 | G | 30.7 | Very low | 28.7 | Very low | 48 Ų | 48 | 116.7 Ų | 116.7 | 50% | 0.495 | 79% | 0.785 | S | S | . | * | trans | -81.9 | 97.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | G245 F249 | G245-G247 PolarHBondContact O-N 3.48Å; G247-F249 WeakPolarHBondContact O-CD2 3.45Å; G247-F249 WeakPolarHBondContact O-CE2 3.3Å; G247-F249 PolarHBondContact O-N 3.41Å; G247-F249 VanDerWaalsContact O-N 3.09Å | ||
| 248 | S | 31.2 | Very low | 28.6 | Very low | 119 Ų | 119 | 114 Ų | 114 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | -65.9 | 97.6 | 169.2 | 175.8 | 0 | 0 | 0 | 0 | 109.7 | R246 G250 | R246-S248 PolarHBondContact O-N 3.34Å; S248-G250 PolarHBondContact O-N 3.07Å | ||
| 249 | F | 30.9 | Very low | 28.3 | Very low | 202 Ų | 202 | 114.8 Ų | 114.8 | 89% | 0.886 | 79% | 0.79 | S | S | * | * | trans | -82.9 | 89.2 | 166.9 | -60.5 | -80.4 | 0 | 0 | 0 | 108.6 | G247 | G247-F249 WeakPolarHBondContact O-CD2 3.45Å; G247-F249 WeakPolarHBondContact O-CE2 3.3Å; G247-F249 PolarHBondContact O-N 3.41Å; G247-F249 VanDerWaalsContact O-N 3.09Å | ||
| 250 | G | 24.9 | Very low | 28.4 | Very low | 77 Ų | 77 | 112.2 Ų | 112.2 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | -73.9 | 131 | 158.1 | 0 | 0 | 0 | 0 | 0 | 109 | S248 | S248-G250 PolarHBondContact O-N 3.07Š| ||
| 251 | G | 28.2 | Very low | 28.5 | Very low | 80 Ų | 80 | 110.4 Ų | 110.4 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | -175.3 | 87.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 252 | A | 30.1 | Very low | 28.5 | Very low | 107 Ų | 107 | 114.7 Ų | 114.7 | 88% | 0.884 | 79% | 0.794 | S | S | * | * | trans | -59.3 | 155.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 253 | G | 25 | Very low | 28.6 | Very low | 86 Ų | 86 | 114.5 Ų | 114.5 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | trans | 102.2 | 101.4 | 133.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 254 | G | 28.2 | Very low | 28.5 | Very low | 76 Ų | 76 | 118.1 Ų | 118.1 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | trans | 176.6 | 72 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S256 | G254-S256 PolarHBondContact O-N 2.92Š| ||
| 255 | T | 28.6 | Very low | 28.8 | Very low | 139 Ų | 139 | 119.6 Ų | 119.6 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | -59.4 | 125.6 | 174.3 | 48.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 256 | S | 28.6 | Very low | 29 | Very low | 116 Ų | 116 | 125.4 Ų | 125.4 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | trans | -133 | 107.8 | 151.7 | 78.7 | 0 | 0 | 0 | 0 | 108.7 | G254 G258 | G254-S256 PolarHBondContact O-N 2.92Å; S256-G258 PolarHBondContact O-N 3.35Å | ||
| 257 | V | 27.4 | Very low | 29 | Very low | 137 Ų | 137 | 121.4 Ų | 121.4 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | trans | -78.5 | 96 | 177.2 | -174.9 | 0 | 0 | 0 | 0 | 106.8 | V259 | V257-V259 HydrophobicContact CG1-CG2 4.36Š| ||
| 258 | G | 26.6 | Very low | 29.1 | Very low | 63 Ų | 63 | 122.4 Ų | 122.4 | 65% | 0.649 | 81% | 0.81 | S | S | * | * | trans | -103 | 96.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | S256 V260 | S256-G258 PolarHBondContact O-N 3.35Å; G258-V260 PolarHBondContact O-N 2.91Å; G258-V260 VanDerWaalsContact O-N 3.1Å | ||
| 259 | V | 26.1 | Very low | 29.2 | Very low | 130 Ų | 130 | 123.8 Ų | 123.8 | 79% | 0.788 | 81% | 0.808 | S | S | * | * | trans | -67 | 101.6 | 172.4 | -178.6 | 0 | 0 | 0 | 0 | 107.8 | V257 | V257-V259 HydrophobicContact CG1-CG2 4.36Š| ||
| 260 | V | 29 | Very low | 29.2 | Very low | 135 Ų | 135 | 122.2 Ų | 122.2 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -92.5 | 102 | 167.1 | -178.7 | 0 | 0 | 0 | 0 | 106.8 | G258 | G258-V260 PolarHBondContact O-N 2.91Å; G258-V260 VanDerWaalsContact O-N 3.1Å | ||
| 261 | A | 29.8 | Very low | 29.4 | Very low | 78 Ų | 78 | 122.2 Ų | 122.2 | 65% | 0.645 | 81% | 0.808 | S | S | * | * | trans | -56.9 | 144.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | M263 | A261-M263 PolarHBondContact O-N 3.26Š| ||
| 262 | D | 27.9 | Very low | 29.6 | Very low | 154 Ų | 154 | 123.3 Ų | 123.3 | 82% | 0.824 | 81% | 0.809 | S | S | * | * | trans | -36.1 | 117.1 | 178.9 | -84.4 | -41.2 | 0 | 0 | 0 | 114.6 | L264 | D262-L264 PolarHBondContact O-N 2.97Š| ||
| 263 | M | 30.1 | Very low | 29.5 | Very low | 177 Ų | 177 | 121.6 Ų | 121.6 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | trans | -79.2 | 97.2 | 161.7 | -79.6 | -79.8 | 167.5 | 0 | 0 | 108.4 | A261 P265 | A261-M263 PolarHBondContact O-N 3.26Å; M263-P265 WeakPolarHBondContact O-CD 3.41Å | ||
| 264 | L | 27.6 | Very low | 29.7 | Very low | 145 Ų | 145 | 126.6 Ų | 126.6 | 76% | 0.759 | 80% | 0.799 | S | S | * | * | trans | -51.5 | 123.6 | 167.3 | -103.8 | 76.8 | 0 | 0 | 0 | 110.3 | D262 H266 | D262-L264 PolarHBondContact O-N 2.97Å; L264-H266 PolarHBondContact O-N 3.12Å | ||
| 265 | P | 33.8 | Very low | 29.6 | Very low | 118 Ų | 118 | 126.7 Ų | 126.7 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | trans | -75.7 | 116.2 | 171.5 | 28.3 | -29.1 | 0 | 0 | 0 | 109.1 | M263 L267 | M263-P265 WeakPolarHBondContact O-CD 3.41Å; P265-L267 PolarHBondContact O-N 3.35Å | ||
| 266 | H | 32.9 | Very low | 29.6 | Very low | 190 Ų | 190 | 131.2 Ų | 131.2 | 88% | 0.88 | 80% | 0.802 | S | S | * | * | trans | -49 | 109.2 | 172.8 | -81.8 | -90 | 0 | 0 | 0 | 111 | L264 G268 | L264-H266 PolarHBondContact O-N 3.12Å; H266-G268 PolarHBondContact O-N 3.3Å | ||
| 267 | L | 30.8 | Very low | 29.7 | Very low | 173 Ų | 173 | 130.3 Ų | 130.3 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 122.9 | 166.8 | -93.2 | 149 | 0 | 0 | 0 | 109 | P265 N269 | P265-L267 PolarHBondContact O-N 3.35Å; L267-N269 PolarHBondContact O-N 3.46Å |
| 268 | G | 33.3 | Very low | 30 | Very low | 69 Ų | 69 | 131 Ų | 131 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -60 | 123.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | H266 L270 | H266-G268 PolarHBondContact O-N 3.3Å; G268-L270 PolarHBondContact O-N 3.37Å |
| 269 | N | 33.3 | Very low | 30.5 | Very low | 148 Ų | 148 | 133.7 Ų | 133.7 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -71 | 120 | 173.7 | -170.9 | 30.5 | 0 | 0 | 0 | 109.8 | L267 | L267-N269 PolarHBondContact O-N 3.46Š|
| 270 | L | 31.5 | Very low | 30.9 | Very low | 168 Ų | 168 | 130.6 Ų | 130.6 | 88% | 0.88 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 128.6 | 172.6 | -69.7 | 153.9 | 0 | 0 | 0 | 108.3 | G268 | G268-L270 PolarHBondContact O-N 3.37Š|
| 271 | G | 29.3 | Very low | 31.1 | Very low | 78 Ų | 78 | 132.4 Ų | 132.4 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | -168.1 | 118.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 272 | A | 31.6 | Very low | 31.4 | Very low | 103 Ų | 103 | 133.6 Ų | 133.6 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | trans | -72.8 | 146 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 273 | G | 27.8 | Very low | 32 | Very low | 70 Ų | 70 | 132 Ų | 132 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | trans | 58.3 | 93.6 | 138.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 274 | F | 29.5 | Very low | 32.3 | Very low | 191 Ų | 191 | 133.1 Ų | 133.1 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | trans | -122.2 | 109.1 | 144.6 | -101.7 | -91.5 | 0 | 0 | 0 | 108.1 | W276 | F274-W276 VanDerWaalsContact O-CD1 3.29Å; F274-W276 PolarHBondContact O-N 3.43Å | ||
| 275 | G | 26.5 | Very low | 32.6 | Very low | 79 Ų | 79 | 131.6 Ų | 131.6 | 81% | 0.814 | 81% | 0.806 | S | S | * | * | trans | -69.6 | 113.6 | 173 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 276 | W | 29.1 | Very low | 32.6 | Very low | 234 Ų | 234 | 131.8 Ų | 131.8 | 89% | 0.886 | 81% | 0.807 | S | S | * | * | trans | -84.7 | 120.7 | 166.9 | -69.4 | 69.5 | 0 | 0 | 0 | 106.8 | F274 D278 | F274-W276 VanDerWaalsContact O-CD1 3.29Å; F274-W276 PolarHBondContact O-N 3.43Å; W276-D278 PolarHBondContact O-N 3.47Å | ||
| 277 | A | 30.7 | Very low | 32.8 | Very low | 96 Ų | 96 | 134.4 Ų | 134.4 | 79% | 0.793 | 83% | 0.825 | S | S | * | * | trans | -62.4 | 118.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108 | P279 | A277-P279 VanDerWaalsContact O-CD 3.25Å; A277-P279 WeakPolarHBondContact O-CD 3.41Å | ||
| 278 | D | 33.2 | Very low | 32.9 | Very low | 152 Ų | 152 | 132.5 Ų | 132.5 | 81% | 0.813 | 82% | 0.821 | S | S | * | * | trans | -61 | 109.1 | 179.6 | -150.2 | -8.3 | 0 | 0 | 0 | 109.8 | W276 G280 | W276-D278 PolarHBondContact O-N 3.47Å; D278-G280 PolarHBondContact O-N 3.01Å | ||
| 279 | P | 37 | Very low | 32.9 | Very low | 119 Ų | 119 | 135.8 Ų | 135.8 | 77% | 0.773 | 83% | 0.827 | S | S | * | * | trans | -80.5 | 104.9 | 171.7 | 26.3 | -16.5 | 0 | 0 | 0 | 107.4 | A277 L281 | A277-P279 VanDerWaalsContact O-CD 3.25Å; A277-P279 WeakPolarHBondContact O-CD 3.41Å; P279-L281 PolarHBondContact O-N 3.26Å | ||
| 280 | G | 33.9 | Very low | 32.8 | Very low | 65 Ų | 65 | 135.1 Ų | 135.1 | 67% | 0.67 | 83% | 0.829 | S | S | * | * | trans | -40.6 | 123.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | D278 S282 | D278-G280 PolarHBondContact O-N 3.01Å; G280-S282 PolarHBondContact O-N 3.01Å; G280-S282 VanDerWaalsContact O-N 3.15Å | ||
| 281 | L | 33.1 | Very low | 32.9 | Very low | 173 Ų | 173 | 133.2 Ų | 133.2 | 91% | 0.906 | 83% | 0.826 | S | S | * | * | trans | 14.1 | 86.1 | 135.5 | -67.3 | 157.8 | 0 | 0 | 0 | 115.6 | P279 | P279-L281 PolarHBondContact O-N 3.26Š| ||
| 282 | S | 36.4 | Very low | 33.1 | Very low | 103 Ų | 103 | 136.6 Ų | 136.6 | 72% | 0.72 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 116.2 | 151.3 | 58.9 | 0 | 0 | 0 | 0 | 108.4 | G280 | G280-S282 PolarHBondContact O-N 3.01Å; G280-S282 VanDerWaalsContact O-N 3.15Å |
| 283 | P | 40.5 | Very low | 33.2 | Very low | 122 Ų | 122 | 138.9 Ų | 138.9 | 79% | 0.792 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 133.8 | -178 | -1.9 | 16 | 0 | 0 | 0 | 110.4 | ||
| 284 | F | 36.1 | Very low | 33.6 | Very low | 199 Ų | 199 | 143.8 Ų | 143.8 | 87% | 0.873 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 132.2 | 169.2 | -78.6 | -88.9 | 0 | 0 | 0 | 110 | ||
| 285 | P | 34.5 | Very low | 34 | Very low | 113 Ų | 113 | 140.2 Ų | 140.2 | 73% | 0.734 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 147.3 | 174.5 | 30.8 | -31.9 | 0 | 0 | 0 | 110.4 | ||
| 286 | P | 33.6 | Very low | 34.6 | Very low | 123 Ų | 123 | 145.3 Ų | 145.3 | 80% | 0.799 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 133.9 | -177.7 | 30.9 | -31.5 | 0 | 0 | 0 | 112 | ||
| 287 | I | 37 | Very low | 35.1 | Very low | 244 Ų | 244 | 137.2 Ų | 137.2 | 100% | 1.251 | 83% | 0.829 | S | S | * | * | trans | 48.7 | 0 | 164.2 | -47.6 | -179.9 | 0 | 0 | 0 | 116.8 |
Retrieved 287 of 287 residues in 90.5 ms
(Link to these results)