| 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 | 43.7 | Very low | 51.1 | Low | 221 Ų | 221 | 121.6 Ų | 121.6 | 100% | 1.089 | 68% | 0.675 | S | S | * | * | 0 | 87.5 | 0 | -84.5 | -74.8 | 173.6 | 0 | 0 | 107 | T3 | M1-T3 PolarHBondContact O-N 3.36Š| |||
| 2 | D | 48.5 | Very low | 51.3 | Low | 126 Ų | 126 | 114.8 Ų | 114.8 | 67% | 0.674 | 65% | 0.653 | S | S | * | * | trans | -90.9 | 76.5 | -158 | -58.6 | -81.3 | 0 | 0 | 0 | 111.8 | ||||
| 3 | T | 50.8 | Low | 51.5 | Low | 115 Ų | 115 | 108.8 Ų | 108.8 | 71% | 0.706 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -89.5 | -20 | -179.8 | 50.5 | 0 | 0 | 0 | 0 | 113.5 | M1 S7 | M1-T3 PolarHBondContact O-N 3.36Å; T3-S7 PolarHBondContact O-OG 3.41Å; T3-S7 VanDerWaalsContact O-OG 3.1Å |
| 4 | Q | 54.7 | Low | 51.8 | Low | 166 Ų | 166 | 108.6 Ų | 108.6 | 78% | 0.776 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -83.3 | -19 | 178.5 | -74 | -178.3 | -10.7 | 0 | 0 | 114.2 | S7 | Q4-S7 PolarHBondContact O-OG 3.42Å |
| 5 | N | 51.4 | Low | 52 | Low | 119 Ų | 119 | 107.3 Ų | 107.3 | 64% | 0.636 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -84.6 | -28.5 | -178.5 | -146.5 | 5.8 | 0 | 0 | 0 | 112.4 | A9 | N5-A9 PolarHBondContact O-N 3.46Å |
| 6 | V | 53.7 | Low | 52.4 | Low | 88 Ų | 88 | 108.1 Ų | 108.1 | 53% | 0.533 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -74.4 | -35.2 | 179.7 | -180 | 0 | 0 | 0 | 0 | 112.2 | A9 L10 | V6-A9 PolarHBondContact O-N 3.1Å; V6-L10 HydrophobicContact CG1-CD1 4.03Å; V6-L10 WeakPolarHBondContact O-CG 3.31Å; V6-L10 PolarHBondContact O-N 3.29Å |
| 7 | S | 53.2 | Low | 52.7 | Low | 70 Ų | 70 | 108.2 Ų | 108.2 | 49% | 0.49 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -74 | -32.6 | -179.4 | 29.8 | 0 | 0 | 0 | 0 | 112.9 | T3 Q4 A11 | T3-S7 PolarHBondContact O-OG 3.41Å; T3-S7 VanDerWaalsContact O-OG 3.1Å; Q4-S7 PolarHBondContact O-OG 3.42Å; S7-A11 PolarHBondContact O-N 3.46Å |
| 8 | K | 52.8 | Low | 53.6 | Low | 172 Ų | 172 | 104.1 Ų | 104.1 | 75% | 0.748 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -70.7 | -31.6 | 171.1 | -84.5 | -179.6 | 177.1 | 173.1 | 0 | 113.2 | ||
| 9 | A | 51.5 | Low | 54.7 | Low | 72 Ų | 72 | 104.1 Ų | 104.1 | 60% | 0.595 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -72.9 | -34.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | N5 V6 | N5-A9 PolarHBondContact O-N 3.46Å; V6-A9 PolarHBondContact O-N 3.1Å |
| 10 | L | 52 | Low | 56 | Low | 125 Ų | 125 | 103.9 Ų | 103.9 | 65% | 0.654 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -76.7 | -32.6 | -179.9 | -72.4 | 166.1 | 0 | 0 | 0 | 113.6 | V6 T14 | V6-L10 HydrophobicContact CG1-CD1 4.03Å; V6-L10 WeakPolarHBondContact O-CG 3.31Å; V6-L10 PolarHBondContact O-N 3.29Å; L10-T14 PolarHBondContact O-OG1 3.48Å |
| 11 | A | 50.2 | Low | 57.2 | Low | 64 Ų | 64 | 104.4 Ų | 104.4 | 53% | 0.529 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -75.9 | -28.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S7 | S7-A11 PolarHBondContact O-N 3.46Å |
| 12 | G | 52.7 | Low | 59.2 | Low | 40 Ų | 40 | 96.8 Ų | 96.8 | 41% | 0.412 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -70 | -32.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L16 | G12-L16 WeakPolarHBondContact O-CD1 3.31Å; G12-L16 WeakPolarHBondContact O-CG 3.46Å |
| 13 | G | 54.7 | Low | 61.2 | Low | 37 Ų | 37 | 94.9 Ų | 94.9 | 38% | 0.381 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -75.8 | -33.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | M17 | G13-M17 VanDerWaalsContact O-CG 3.31Å; G13-M17 WeakPolarHBondContact O-CG 3.44Å; G13-M17 PolarHBondContact O-N 2.9Å |
| 14 | T | 54.7 | Low | 63.2 | Low | 106 Ų | 106 | 94.9 Ų | 94.9 | 65% | 0.65 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -74.7 | -35.3 | -176.7 | -4.3 | 0 | 0 | 0 | 0 | 112.7 | L10 G18 | L10-T14 PolarHBondContact O-OG1 3.48Å; T14-G18 PolarHBondContact O-N 3.33Å |
| 15 | C | 56 | Low | 65 | Low | 89 Ų | 89 | 92.8 Ų | 92.8 | 60% | 0.601 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -71.4 | -36.1 | 175.2 | -83.2 | 0 | 0 | 0 | 0 | 113.3 | G18 N19 | C15-G18 PolarHBondContact O-N 3.01Å; C15-N19 PolarHBondContact O-N 3.31Å; C15-N19 VanDerWaalsContact O-N 3.11Å; C15-N19 PolarHBondContact O-ND2 2.71Å |
| 16 | L | 58.3 | Low | 67 | Low | 120 Ų | 120 | 92.1 Ų | 92.1 | 63% | 0.628 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -69 | -39.6 | 178.4 | -71.5 | 171.3 | 0 | 0 | 0 | 112 | G12 G18 N19 E20 | G12-L16 WeakPolarHBondContact O-CD1 3.31Å; G12-L16 WeakPolarHBondContact O-CG 3.46Å; L16-G18 VanDerWaalsContact C-N 3.35Å; L16-G18 PolarHBondContact O-N 3.46Å; L16-N19 PolarHBondContact O-N 3.21Å; L16-E20 PolarHBondContact O-N 3.15Å |
| 17 | M | 57.2 | Low | 68.9 | Low | 109 Ų | 109 | 94 Ų | 94 | 54% | 0.537 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.5 | -37.5 | 175.9 | -71.6 | -65.8 | -68.4 | 0 | 0 | 112.5 | G13 Q21 | G13-M17 VanDerWaalsContact O-CG 3.31Å; G13-M17 WeakPolarHBondContact O-CG 3.44Å; G13-M17 PolarHBondContact O-N 2.9Å; M17-Q21 WeakPolarHBondContact O-CB 3.47Å; M17-Q21 VanDerWaalsContact O-CG 3.27Å; M17-Q21 WeakPolarHBondContact O-CG 3.5Å; M17-Q21 PolarHBondContact O-N 3.47Å |
| 18 | G | 68.1 | Low | 70.9 | Confident | 35 Ų | 35 | 94.2 Ų | 94.2 | 36% | 0.361 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.8 | -41.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | T14 C15 L16 Q21 C22 | T14-G18 PolarHBondContact O-N 3.33Å; C15-G18 PolarHBondContact O-N 3.01Å; L16-G18 VanDerWaalsContact C-N 3.35Å; L16-G18 PolarHBondContact O-N 3.46Å; G18-Q21 PolarHBondContact O-N 3.3Å; G18-C22 VanDerWaalsContact O-CB 3.31Å; G18-C22 WeakPolarHBondContact O-CB 3.37Å; G18-C22 PolarHBondContact O-N 3.11Å |
| 19 | N | 75.1 | Confident | 73 | Confident | 103 Ų | 103 | 88 Ų | 88 | 55% | 0.551 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.9 | -40.2 | 176.9 | -73.6 | -18 | 0 | 0 | 0 | 112.3 | C15 L16 C22 L23 | C15-N19 PolarHBondContact O-N 3.31Å; C15-N19 VanDerWaalsContact O-N 3.11Å; C15-N19 PolarHBondContact O-ND2 2.71Å; L16-N19 PolarHBondContact O-N 3.21Å; N19-C22 PolarHBondContact O-N 2.85Å; N19-L23 WeakPolarHBondContact O-CB 3.27Å; N19-L23 PolarHBondContact O-N 3.03Å |
| 20 | E | 80.4 | Confident | 75.1 | Confident | 100 Ų | 100 | 89.4 Ų | 89.4 | 47% | 0.467 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.3 | -36.4 | 178.5 | -152.2 | -166.8 | 138.3 | 0 | 0 | 112.3 | L16 K24 | L16-E20 PolarHBondContact O-N 3.15Å; E20-K24 VanDerWaalsContact O-CG 3.28Å; E20-K24 WeakPolarHBondContact O-CG 3.25Å; E20-K24 PolarHBondContact O-N 3.11Å; E20-K24 VanDerWaalsContact O-N 3.13Å; E20-K24 WeakPolarHBondContact OE1-CE 3.48Å; E20-K24 IonicContact OE1-NZ 2.76Å; E20-K24 PolarHBondContact OE1-NZ 3.22Å |
| 21 | Q | 82.4 | Confident | 77.2 | Confident | 115 Ų | 115 | 91 Ų | 91 | 54% | 0.537 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.2 | -40.9 | 172.6 | -74.2 | 179.3 | 1 | 0 | 0 | 112.1 | M17 G18 K24 L25 | M17-Q21 WeakPolarHBondContact O-CB 3.47Å; M17-Q21 VanDerWaalsContact O-CG 3.27Å; M17-Q21 WeakPolarHBondContact O-CG 3.5Å; M17-Q21 PolarHBondContact O-N 3.47Å; G18-Q21 PolarHBondContact O-N 3.3Å; Q21-K24 WeakPolarHBondContact O-CB 3.46Å; Q21-K24 PolarHBondContact O-N 3.41Å; Q21-L25 PolarHBondContact O-N 3.06Å |
| 22 | C | 85.4 | Confident | 79.4 | Confident | 62 Ų | 62 | 93.1 Ų | 93.1 | 42% | 0.419 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.2 | -47.4 | 175.4 | -167.2 | 0 | 0 | 0 | 0 | 111.5 | G18 N19 K24 L25 E26 | G18-C22 VanDerWaalsContact O-CB 3.31Å; G18-C22 WeakPolarHBondContact O-CB 3.37Å; G18-C22 PolarHBondContact O-N 3.11Å; N19-C22 PolarHBondContact O-N 2.85Å; C22-K24 VanDerWaalsContact C-N 3.27Å; C22-K24 PolarHBondContact O-N 3.44Å; C22-L25 PolarHBondContact O-N 3.4Å; C22-L25 VanDerWaalsContact O-N 3.11Å; C22-E26 WeakPolarHBondContact O-CG 3.21Å; C22-E26 PolarHBondContact O-N 3.28Å |
| 23 | L | 90.4 | Very high | 81.5 | Confident | 86 Ų | 86 | 95.9 Ų | 95.9 | 45% | 0.45 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.4 | -36.2 | 174.4 | -94.6 | 155.7 | 0 | 0 | 0 | 113.1 | N19 K27 | N19-L23 WeakPolarHBondContact O-CB 3.27Å; N19-L23 PolarHBondContact O-N 3.03Å; L23-K27 WeakPolarHBondContact O-CB 3.41Å; L23-K27 WeakPolarHBondContact O-CD 3.48Å; L23-K27 WeakPolarHBondContact O-CG 3.23Å; L23-K27 PolarHBondContact O-N 2.97Å; L23-K27 VanDerWaalsContact O-N 3.1Å |
| 24 | K | 91.2 | Very high | 83.5 | Confident | 115 Ų | 115 | 97.3 Ų | 97.3 | 50% | 0.5 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.8 | -44.5 | 175.4 | -75.7 | 168.2 | -173.3 | 163.7 | 0 | 110.9 | E20 Q21 C22 K27 T28 | E20-K24 VanDerWaalsContact O-CG 3.28Å; E20-K24 WeakPolarHBondContact O-CG 3.25Å; E20-K24 PolarHBondContact O-N 3.11Å; E20-K24 VanDerWaalsContact O-N 3.13Å; E20-K24 WeakPolarHBondContact OE1-CE 3.48Å; E20-K24 IonicContact OE1-NZ 2.76Å; E20-K24 PolarHBondContact OE1-NZ 3.22Å; Q21-K24 WeakPolarHBondContact O-CB 3.46Å; Q21-K24 PolarHBondContact O-N 3.41Å; C22-K24 VanDerWaalsContact C-N 3.27Å; C22-K24 PolarHBondContact O-N 3.44Å; K24-K27 PolarHBondContact O-N 3.12Å; K24-T28 WeakPolarHBondContact O-CG2 3.49Å; K24-T28 PolarHBondContact O-N 3.38Å; K24-T28 PolarHBondContact O-OG1 3.42Å |
| 25 | L | 92.6 | Very high | 85.5 | Confident | 122 Ų | 122 | 100 Ų | 100 | 64% | 0.639 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.3 | -46.6 | 176.9 | -71.6 | 166.9 | 0 | 0 | 0 | 111.6 | Q21 C22 K27 T28 A29 | Q21-L25 PolarHBondContact O-N 3.06Å; C22-L25 PolarHBondContact O-N 3.4Å; C22-L25 VanDerWaalsContact O-N 3.11Å; L25-K27 PolarHBondContact O-N 3.1Å; L25-T28 WeakPolarHBondContact CA-OG1 3.49Å; L25-T28 PolarHBondContact O-N 3.36Å; L25-T28 VanDerWaalsContact O-N 3.15Å; L25-T28 PolarHBondContact O-OG1 2.87Å; L25-A29 WeakPolarHBondContact O-CB 3.36Å; L25-A29 PolarHBondContact O-N 2.93Å |
| 26 | E | 93.8 | Very high | 87.5 | Confident | 104 Ų | 104 | 102 Ų | 102 | 49% | 0.486 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.9 | -46.8 | 176.5 | -72.2 | -179.6 | 167.7 | 0 | 0 | 112 | C22 T28 A29 I30 | C22-E26 WeakPolarHBondContact O-CG 3.21Å; C22-E26 PolarHBondContact O-N 3.28Å; E26-T28 VanDerWaalsContact C-N 3.31Å; E26-T28 PolarHBondContact O-N 3.13Å; E26-A29 PolarHBondContact O-N 2.88Å; E26-I30 WeakPolarHBondContact O-CB 3.44Å; E26-I30 WeakPolarHBondContact O-CD1 3.49Å; E26-I30 VanDerWaalsContact O-CG1 3.23Å; E26-I30 WeakPolarHBondContact O-CG1 3.38Å; E26-I30 PolarHBondContact O-N 2.99Å |
| 27 | K | 95.1 | Very high | 89.4 | Confident | 129 Ų | 129 | 104.1 Ų | 104.1 | 56% | 0.561 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.4 | -39.5 | 176.7 | -73.7 | 172 | -176 | 178.3 | 0 | 112.2 | L23 K24 L25 K31 | L23-K27 WeakPolarHBondContact O-CB 3.41Å; L23-K27 WeakPolarHBondContact O-CD 3.48Å; L23-K27 WeakPolarHBondContact O-CG 3.23Å; L23-K27 PolarHBondContact O-N 2.97Å; L23-K27 VanDerWaalsContact O-N 3.1Å; K24-K27 PolarHBondContact O-N 3.12Å; L25-K27 PolarHBondContact O-N 3.1Å; K27-K31 WeakPolarHBondContact O-CG 3.43Å; K27-K31 PolarHBondContact O-N 2.84Å; K27-K31 VanDerWaalsContact O-N 3.1Å |
| 28 | T | 95 | Very high | 91.3 | Very high | 74 Ų | 74 | 100.9 Ų | 100.9 | 45% | 0.454 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.2 | -40.6 | 175.9 | 59.7 | 0 | 0 | 0 | 0 | 112.4 | K24 L25 E26 I30 K31 I32 | K24-T28 WeakPolarHBondContact O-CG2 3.49Å; K24-T28 PolarHBondContact O-N 3.38Å; K24-T28 PolarHBondContact O-OG1 3.42Å; L25-T28 WeakPolarHBondContact CA-OG1 3.49Å; L25-T28 PolarHBondContact O-N 3.36Å; L25-T28 VanDerWaalsContact O-N 3.15Å; L25-T28 PolarHBondContact O-OG1 2.87Å; E26-T28 VanDerWaalsContact C-N 3.31Å; E26-T28 PolarHBondContact O-N 3.13Å; T28-I30 PolarHBondContact O-N 2.97Å; T28-K31 WeakPolarHBondContact O-CB 3.28Å; T28-K31 PolarHBondContact O-N 3.49Å; T28-I32 WeakPolarHBondContact O-CG1 3.41Å; T28-I32 PolarHBondContact O-N 3.16Å |
| 29 | A | 95.4 | Very high | 92.7 | Very high | 41 Ų | 41 | 101.3 Ų | 101.3 | 34% | 0.339 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.2 | -44 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L25 E26 K31 I32 Q33 | L25-A29 WeakPolarHBondContact O-CB 3.36Å; L25-A29 PolarHBondContact O-N 2.93Å; E26-A29 PolarHBondContact O-N 2.88Å; A29-K31 VanDerWaalsContact C-N 3.32Å; A29-K31 PolarHBondContact O-N 3.46Å; A29-I32 PolarHBondContact O-N 3Å; A29-I32 VanDerWaalsContact O-N 3.16Å; A29-Q33 WeakPolarHBondContact O-CB 3.48Å; A29-Q33 VanDerWaalsContact O-CG 3.25Å; A29-Q33 WeakPolarHBondContact O-CG 3.43Å; A29-Q33 PolarHBondContact O-N 3.22Å |
| 30 | I | 96 | Very high | 93.8 | Very high | 101 Ų | 101 | 100.7 Ų | 100.7 | 52% | 0.518 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61 | -40.5 | 175.8 | -68.2 | 164.1 | 0 | 0 | 0 | 111 | E26 T28 Q33 S34 | E26-I30 WeakPolarHBondContact O-CB 3.44Å; E26-I30 WeakPolarHBondContact O-CD1 3.49Å; E26-I30 VanDerWaalsContact O-CG1 3.23Å; E26-I30 WeakPolarHBondContact O-CG1 3.38Å; E26-I30 PolarHBondContact O-N 2.99Å; T28-I30 PolarHBondContact O-N 2.97Å; I30-Q33 PolarHBondContact O-N 3.22Å; I30-S34 WeakPolarHBondContact O-CB 3.38Å; I30-S34 PolarHBondContact O-N 3.49Å; I30-S34 PolarHBondContact O-OG 3.41Å |
| 31 | K | 97.2 | Very high | 94.6 | Very high | 158 Ų | 158 | 99.9 Ų | 99.9 | 69% | 0.687 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.7 | -45.2 | 173.5 | -80.6 | -178.4 | 177.6 | -179.8 | 0 | 112 | K27 T28 A29 S34 W35 | K27-K31 WeakPolarHBondContact O-CG 3.43Å; K27-K31 PolarHBondContact O-N 2.84Å; K27-K31 VanDerWaalsContact O-N 3.1Å; T28-K31 WeakPolarHBondContact O-CB 3.28Å; T28-K31 PolarHBondContact O-N 3.49Å; A29-K31 VanDerWaalsContact C-N 3.32Å; A29-K31 PolarHBondContact O-N 3.46Å; K31-S34 WeakPolarHBondContact CA-OG 3.47Å; K31-S34 PolarHBondContact O-OG 2.91Å; K31-W35 VanDerWaalsContact O-CB 3.26Å; K31-W35 WeakPolarHBondContact O-CB 3.41Å; K31-W35 PolarHBondContact O-N 3.4Å |
| 32 | I | 95.9 | Very high | 95.3 | Very high | 110 Ų | 110 | 103.6 Ų | 103.6 | 56% | 0.564 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66 | -44.7 | 179.3 | -65.9 | 167.4 | 0 | 0 | 0 | 110.5 | T28 A29 W35 W36 | T28-I32 WeakPolarHBondContact O-CG1 3.41Å; T28-I32 PolarHBondContact O-N 3.16Å; A29-I32 PolarHBondContact O-N 3Å; A29-I32 VanDerWaalsContact O-N 3.16Å; I32-W35 PolarHBondContact O-N 3.41Å; I32-W36 WeakPolarHBondContact O-CB 3.45Å; I32-W36 PolarHBondContact O-N 3.15Å |
| 33 | Q | 97.5 | Very high | 95.9 | Very high | 98 Ų | 98 | 107.8 Ų | 107.8 | 46% | 0.458 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 179.4 | -72.4 | 175.2 | -6.8 | 0 | 0 | 112.3 | A29 I30 W36 R37 | A29-Q33 WeakPolarHBondContact O-CB 3.48Å; A29-Q33 VanDerWaalsContact O-CG 3.25Å; A29-Q33 WeakPolarHBondContact O-CG 3.43Å; A29-Q33 PolarHBondContact O-N 3.22Å; I30-Q33 PolarHBondContact O-N 3.22Å; Q33-W36 PolarHBondContact O-N 2.99Å; Q33-R37 WeakPolarHBondContact O-CG 3.49Å; Q33-R37 PolarHBondContact O-N 2.77Å |
| 34 | S | 95.8 | Very high | 96.3 | Very high | 67 Ų | 67 | 107.7 Ų | 107.7 | 47% | 0.469 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.7 | -41.9 | 176.9 | 54 | 0 | 0 | 0 | 0 | 111.5 | I30 K31 W36 R37 G38 | I30-S34 WeakPolarHBondContact O-CB 3.38Å; I30-S34 PolarHBondContact O-N 3.49Å; I30-S34 PolarHBondContact O-OG 3.41Å; K31-S34 WeakPolarHBondContact CA-OG 3.47Å; K31-S34 PolarHBondContact O-OG 2.91Å; S34-W36 PolarHBondContact O-N 3.29Å; S34-R37 PolarHBondContact O-N 2.87Å; S34-G38 PolarHBondContact O-N 3.1Å |
| 35 | W | 97.6 | Very high | 96.6 | Very high | 162 Ų | 162 | 107.6 Ų | 107.6 | 61% | 0.614 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.4 | -45.9 | 173.6 | 176.5 | 85.8 | 0 | 0 | 0 | 112.2 | K31 I32 G38 N39 | K31-W35 VanDerWaalsContact O-CB 3.26Å; K31-W35 WeakPolarHBondContact O-CB 3.41Å; K31-W35 PolarHBondContact O-N 3.4Å; I32-W35 PolarHBondContact O-N 3.41Å; W35-G38 PolarHBondContact O-N 3.04Å; W35-N39 PolarHBondContact O-N 2.76Å |
| 36 | W | 97.5 | Very high | 96.9 | Very high | 132 Ų | 132 | 106.6 Ų | 106.6 | 50% | 0.5 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.1 | -48 | 179 | 179.4 | -105.7 | 0 | 0 | 0 | 112.3 | I32 Q33 S34 G38 N39 M40 | I32-W36 WeakPolarHBondContact O-CB 3.45Å; I32-W36 PolarHBondContact O-N 3.15Å; Q33-W36 PolarHBondContact O-N 2.99Å; S34-W36 PolarHBondContact O-N 3.29Å; W36-G38 VanDerWaalsContact C-N 3.29Å; W36-G38 PolarHBondContact O-N 3.46Å; W36-N39 WeakPolarHBondContact O-CB 3.38Å; W36-N39 PolarHBondContact O-N 3.01Å; W36-N39 VanDerWaalsContact O-N 3.12Å; W36-M40 HydrophobicContact CD2-CG 4.49Å; W36-M40 HydrophobicContact CZ2-CG 4.37Å; W36-M40 HydrophobicContact CZ2-SD 4.19Å; W36-M40 WeakPolarHBondContact O-CG 3.26Å; W36-M40 PolarHBondContact O-N 3.01Å |
| 37 | R | 97.4 | Very high | 97.1 | Very high | 163 Ų | 163 | 107.3 Ų | 107.3 | 62% | 0.615 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -58.7 | -41.7 | 175.8 | -72.8 | 178.5 | 176.9 | 117.5 | -1.4 | 111.5 | Q33 S34 M40 V41 | Q33-R37 WeakPolarHBondContact O-CG 3.49Å; Q33-R37 PolarHBondContact O-N 2.77Å; S34-R37 PolarHBondContact O-N 2.87Å; R37-M40 PolarHBondContact O-N 3.04Å; R37-V41 WeakPolarHBondContact O-CG2 3.38Å; R37-V41 PolarHBondContact O-N 2.98Å; R37-V41 VanDerWaalsContact O-N 3.15Å |
| 38 | G | 97.5 | Very high | 97.2 | Very high | 41 Ų | 41 | 104 Ų | 104 | 42% | 0.423 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S34 W35 W36 R42 | S34-G38 PolarHBondContact O-N 3.1Å; W35-G38 PolarHBondContact O-N 3.04Å; W36-G38 VanDerWaalsContact C-N 3.29Å; W36-G38 PolarHBondContact O-N 3.46Å; G38-R42 WeakPolarHBondContact O-CB 3.33Å; G38-R42 PolarHBondContact O-N 3.07Å |
| 39 | N | 97.4 | Very high | 97.4 | Very high | 44 Ų | 44 | 103.3 Ų | 103.3 | 24% | 0.235 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -64.5 | -43.9 | 177.3 | -163.4 | -82 | 0 | 0 | 0 | 111.9 | W35 W36 V41 R42 R43 | W35-N39 PolarHBondContact O-N 2.76Å; W36-N39 WeakPolarHBondContact O-CB 3.38Å; W36-N39 PolarHBondContact O-N 3.01Å; W36-N39 VanDerWaalsContact O-N 3.12Å; N39-V41 PolarHBondContact O-N 3.29Å; N39-R42 PolarHBondContact O-N 3.41Å; N39-R43 PolarHBondContact O-N 3.32Å; N39-R43 PolarHBondContact OD1-NE 3.45Å |
| 40 | M | 97.8 | Very high | 97.5 | Very high | 91 Ų | 91 | 105.5 Ų | 105.5 | 45% | 0.448 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -57.9 | -49.6 | 177.1 | -67.5 | -127.5 | 72.9 | 0 | 0 | 111.6 | W36 R37 R42 R43 T44 | W36-M40 HydrophobicContact CD2-CG 4.49Å; W36-M40 HydrophobicContact CZ2-CG 4.37Å; W36-M40 HydrophobicContact CZ2-SD 4.19Å; W36-M40 WeakPolarHBondContact O-CG 3.26Å; W36-M40 PolarHBondContact O-N 3.01Å; R37-M40 PolarHBondContact O-N 3.04Å; M40-R42 VanDerWaalsContact C-N 3.35Å; M40-R42 PolarHBondContact O-N 3.17Å; M40-R43 PolarHBondContact O-N 2.96Å; M40-T44 WeakPolarHBondContact O-CG2 3.22Å; M40-T44 PolarHBondContact O-N 3.43Å; M40-T44 PolarHBondContact O-OG1 3.34Å |
| 41 | V | 98.1 | Very high | 97.6 | Very high | 82 Ų | 82 | 109.9 Ų | 109.9 | 50% | 0.497 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 178.4 | 175.7 | 0 | 0 | 0 | 0 | 111.6 | R37 N39 R43 T44 L45 | R37-V41 WeakPolarHBondContact O-CG2 3.38Å; R37-V41 PolarHBondContact O-N 2.98Å; R37-V41 VanDerWaalsContact O-N 3.15Å; N39-V41 PolarHBondContact O-N 3.29Å; V41-R43 VanDerWaalsContact C-N 3.33Å; V41-R43 PolarHBondContact O-N 3.29Å; V41-T44 WeakPolarHBondContact CA-OG1 3.46Å; V41-T44 PolarHBondContact O-N 3.41Å; V41-T44 PolarHBondContact O-OG1 3.49Å; V41-L45 HydrophobicContact CG1-CD1 3.88Å; V41-L45 HydrophobicContact CG1-CG 4.27Å; V41-L45 WeakPolarHBondContact O-CB 3.44Å; V41-L45 WeakPolarHBondContact O-CG 3.49Å; V41-L45 PolarHBondContact O-N 2.91Å |
| 42 | R | 97.7 | Very high | 97.7 | Very high | 193 Ų | 193 | 104.6 Ų | 104.6 | 73% | 0.728 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.6 | -40.4 | 177.8 | -172.6 | 173.4 | -67.6 | 178.2 | -1.1 | 112 | G38 N39 M40 L46 | G38-R42 WeakPolarHBondContact O-CB 3.33Å; G38-R42 PolarHBondContact O-N 3.07Å; N39-R42 PolarHBondContact O-N 3.41Å; M40-R42 VanDerWaalsContact C-N 3.35Å; M40-R42 PolarHBondContact O-N 3.17Å; R42-L46 WeakPolarHBondContact O-CB 3.36Å; R42-L46 PolarHBondContact O-N 3.3Å |
| 43 | R | 97.8 | Very high | 97.8 | Very high | 150 Ų | 150 | 106.7 Ų | 106.7 | 57% | 0.566 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.4 | -46 | 175.5 | -76.4 | -179.7 | 172.5 | -169.1 | -2.6 | 112 | N39 M40 V41 L46 H47 | N39-R43 PolarHBondContact O-N 3.32Å; N39-R43 PolarHBondContact OD1-NE 3.45Å; M40-R43 PolarHBondContact O-N 2.96Å; V41-R43 VanDerWaalsContact C-N 3.33Å; V41-R43 PolarHBondContact O-N 3.29Å; R43-L46 PolarHBondContact O-N 2.99Å; R43-H47 PolarHBondContact O-CD2 2.91Å; R43-H47 PolarHBondContact O-N 3.42Å |
| 44 | T | 97.9 | Very high | 97.8 | Very high | 85 Ų | 85 | 106.2 Ų | 106.2 | 52% | 0.521 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65 | -42.4 | -179.5 | 56 | 0 | 0 | 0 | 0 | 111.7 | M40 V41 L46 H47 A48 | M40-T44 WeakPolarHBondContact O-CG2 3.22Å; M40-T44 PolarHBondContact O-N 3.43Å; M40-T44 PolarHBondContact O-OG1 3.34Å; V41-T44 WeakPolarHBondContact CA-OG1 3.46Å; V41-T44 PolarHBondContact O-N 3.41Å; V41-T44 PolarHBondContact O-OG1 3.49Å; T44-L46 PolarHBondContact O-N 3.27Å; T44-H47 PolarHBondContact O-N 3.5Å; T44-A48 WeakPolarHBondContact O-CB 3.41Å; T44-A48 PolarHBondContact O-N 3.5Å |
| 45 | L | 98.3 | Very high | 97.9 | Very high | 112 Ų | 112 | 108.3 Ų | 108.3 | 59% | 0.586 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.3 | -42.4 | 174.9 | -73 | 174.6 | 0 | 0 | 0 | 112.2 | V41 A48 A49 | V41-L45 HydrophobicContact CG1-CD1 3.88Å; V41-L45 HydrophobicContact CG1-CG 4.27Å; V41-L45 WeakPolarHBondContact O-CB 3.44Å; V41-L45 WeakPolarHBondContact O-CG 3.49Å; V41-L45 PolarHBondContact O-N 2.91Å; L45-A48 PolarHBondContact O-N 3.29Å; L45-A49 VanDerWaalsContact O-CB 3.29Å; L45-A49 WeakPolarHBondContact O-CB 3.37Å; L45-A49 PolarHBondContact O-N 3.33Å |
| 46 | L | 98.3 | Very high | 98 | Very high | 101 Ų | 101 | 105.6 Ų | 105.6 | 53% | 0.529 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.7 | -43.9 | 176.8 | -176.6 | 134.3 | 0 | 0 | 0 | 111.4 | R42 R43 T44 A49 L50 | R42-L46 WeakPolarHBondContact O-CB 3.36Å; R42-L46 PolarHBondContact O-N 3.3Å; R43-L46 PolarHBondContact O-N 2.99Å; T44-L46 PolarHBondContact O-N 3.27Å; L46-A49 PolarHBondContact O-N 3.33Å; L46-L50 HydrophobicContact CD2-CD1 3.66Å; L46-L50 HydrophobicContact CD2-CG 4.48Å; L46-L50 HydrophobicContact CG-CD1 4.32Å; L46-L50 WeakPolarHBondContact O-CB 3.47Å; L46-L50 VanDerWaalsContact O-CG 3.31Å; L46-L50 WeakPolarHBondContact O-CG 3.33Å; L46-L50 PolarHBondContact O-N 2.88Å |
| 47 | H | 98 | Very high | 98 | Very high | 119 Ų | 119 | 101.7 Ų | 101.7 | 55% | 0.551 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.1 | -45.3 | 174.1 | -79.5 | -60.1 | 0 | 0 | 0 | 112.2 | R43 T44 L50 R51 | R43-H47 PolarHBondContact O-CD2 2.91Å; R43-H47 PolarHBondContact O-N 3.42Å; T44-H47 PolarHBondContact O-N 3.5Å; H47-L50 PolarHBondContact O-N 2.97Å; H47-R51 WeakPolarHBondContact O-CG 3.4Å; H47-R51 PolarHBondContact O-N 3.01Å |
| 48 | A | 98.1 | Very high | 98.1 | Very high | 59 Ų | 59 | 101 Ų | 101 | 49% | 0.488 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62 | -44.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | T44 L45 L50 R51 A52 | T44-A48 WeakPolarHBondContact O-CB 3.41Å; T44-A48 PolarHBondContact O-N 3.5Å; L45-A48 PolarHBondContact O-N 3.29Å; A48-L50 PolarHBondContact O-N 2.99Å; A48-R51 PolarHBondContact O-N 3.23Å; A48-A52 WeakPolarHBondContact O-CB 3.43Å; A48-A52 PolarHBondContact O-N 3.2Å |
| 49 | A | 98.3 | Very high | 98.1 | Very high | 60 Ų | 60 | 105.6 Ų | 105.6 | 50% | 0.496 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L45 L46 R51 A52 W53 | L45-A49 VanDerWaalsContact O-CB 3.29Å; L45-A49 WeakPolarHBondContact O-CB 3.37Å; L45-A49 PolarHBondContact O-N 3.33Å; L46-A49 PolarHBondContact O-N 3.33Å; A49-R51 PolarHBondContact O-N 3.25Å; A49-A52 PolarHBondContact O-N 3.47Å; A49-W53 VanDerWaalsContact O-CB 3.31Å; A49-W53 WeakPolarHBondContact O-CB 3.31Å; A49-W53 PolarHBondContact O-N 2.85Å |
| 50 | L | 98.1 | Very high | 98.1 | Very high | 88 Ų | 88 | 112 Ų | 112 | 46% | 0.461 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.1 | -42 | 176.1 | -73.6 | 172.9 | 0 | 0 | 0 | 112 | L46 H47 A48 W53 V54 | L46-L50 HydrophobicContact CD2-CD1 3.66Å; L46-L50 HydrophobicContact CD2-CG 4.48Å; L46-L50 HydrophobicContact CG-CD1 4.32Å; L46-L50 WeakPolarHBondContact O-CB 3.47Å; L46-L50 VanDerWaalsContact O-CG 3.31Å; L46-L50 WeakPolarHBondContact O-CG 3.33Å; L46-L50 PolarHBondContact O-N 2.88Å; H47-L50 PolarHBondContact O-N 2.97Å; A48-L50 PolarHBondContact O-N 2.99Å; L50-W53 PolarHBondContact O-N 3.38Å; L50-V54 WeakPolarHBondContact O-CG2 3.48Å; L50-V54 PolarHBondContact O-N 2.91Å |
| 51 | R | 98.1 | Very high | 98.1 | Very high | 193 Ų | 193 | 110.2 Ų | 110.2 | 73% | 0.728 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.6 | -46.3 | 176.4 | -66.8 | -71.7 | -177.1 | -179.7 | 0.9 | 111.3 | H47 A48 A49 W53 V54 I55 | H47-R51 WeakPolarHBondContact O-CG 3.4Å; H47-R51 PolarHBondContact O-N 3.01Å; A48-R51 PolarHBondContact O-N 3.23Å; A49-R51 PolarHBondContact O-N 3.25Å; R51-W53 VanDerWaalsContact C-N 3.32Å; R51-W53 PolarHBondContact O-N 3.37Å; R51-V54 PolarHBondContact O-N 3.41Å; R51-I55 WeakPolarHBondContact O-CG1 3.29Å; R51-I55 PolarHBondContact O-N 2.94Å |
| 52 | A | 98.3 | Very high | 98.1 | Very high | 47 Ų | 47 | 109 Ų | 109 | 39% | 0.388 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | A48 A49 V54 I55 Q56 | A48-A52 WeakPolarHBondContact O-CB 3.43Å; A48-A52 PolarHBondContact O-N 3.2Å; A49-A52 PolarHBondContact O-N 3.47Å; A52-V54 PolarHBondContact O-N 3.47Å; A52-I55 PolarHBondContact O-N 3.37Å; A52-Q56 VanDerWaalsContact O-CG 3.31Å; A52-Q56 WeakPolarHBondContact O-CG 3.31Å; A52-Q56 PolarHBondContact O-N 2.83Å |
| 53 | W | 98.4 | Very high | 98.1 | Very high | 153 Ų | 153 | 103.8 Ų | 103.8 | 58% | 0.58 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.8 | -44.3 | 178 | 179.7 | 70.9 | 0 | 0 | 0 | 112.4 | A49 L50 R51 I55 Q56 C57 | A49-W53 VanDerWaalsContact O-CB 3.31Å; A49-W53 WeakPolarHBondContact O-CB 3.31Å; A49-W53 PolarHBondContact O-N 2.85Å; L50-W53 PolarHBondContact O-N 3.38Å; R51-W53 VanDerWaalsContact C-N 3.32Å; R51-W53 PolarHBondContact O-N 3.37Å; W53-I55 VanDerWaalsContact C-N 3.33Å; W53-I55 PolarHBondContact O-N 3.49Å; W53-Q56 PolarHBondContact O-N 3.01Å; W53-C57 VanDerWaalsContact CE2-SG 3.52Å; W53-C57 PolarHBondContact NE1-SG 2.91Å; W53-C57 WeakPolarHBondContact O-CB 3.48Å; W53-C57 PolarHBondContact O-N 3.43Å; W53-C57 PolarHBondContact O-SG 3.47Å |
| 54 | V | 98.3 | Very high | 98.1 | Very high | 88 Ų | 88 | 99.6 Ų | 99.6 | 53% | 0.533 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.6 | -45.3 | 175.8 | 170 | 0 | 0 | 0 | 0 | 111.3 | L50 R51 A52 C57 W58 | L50-V54 WeakPolarHBondContact O-CG2 3.48Å; L50-V54 PolarHBondContact O-N 2.91Å; R51-V54 PolarHBondContact O-N 3.41Å; A52-V54 PolarHBondContact O-N 3.47Å; V54-C57 PolarHBondContact O-N 2.88Å; V54-W58 WeakPolarHBondContact O-CB 3.46Å; V54-W58 PolarHBondContact O-N 3.17Å |
| 55 | I | 98.2 | Very high | 98.1 | Very high | 112 Ų | 112 | 101.5 Ų | 101.5 | 57% | 0.574 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.3 | -44.5 | 178.1 | -64.5 | 167.9 | 0 | 0 | 0 | 110.6 | R51 A52 W53 W58 W59 | R51-I55 WeakPolarHBondContact O-CG1 3.29Å; R51-I55 PolarHBondContact O-N 2.94Å; A52-I55 PolarHBondContact O-N 3.37Å; W53-I55 VanDerWaalsContact C-N 3.33Å; W53-I55 PolarHBondContact O-N 3.49Å; I55-W58 PolarHBondContact O-N 2.95Å; I55-W59 WeakPolarHBondContact O-CB 3.31Å; I55-W59 PolarHBondContact O-N 3.39Å |
| 56 | Q | 98.4 | Very high | 98.1 | Very high | 105 Ų | 105 | 99.8 Ų | 99.8 | 49% | 0.491 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.9 | -44.5 | 178.4 | -73.1 | 175.4 | -13 | 0 | 0 | 112.1 | A52 W53 W59 R60 | A52-Q56 VanDerWaalsContact O-CG 3.31Å; A52-Q56 WeakPolarHBondContact O-CG 3.31Å; A52-Q56 PolarHBondContact O-N 2.83Å; W53-Q56 PolarHBondContact O-N 3.01Å; Q56-W59 PolarHBondContact O-N 3.47Å; Q56-R60 WeakPolarHBondContact O-CB 3.42Å; Q56-R60 VanDerWaalsContact O-CG 3.3Å; Q56-R60 WeakPolarHBondContact O-CG 3.49Å; Q56-R60 PolarHBondContact O-N 2.93Å |
| 57 | C | 98.1 | Very high | 98.1 | Very high | 50 Ų | 50 | 100.9 Ų | 100.9 | 34% | 0.338 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.4 | -44.8 | 176.3 | -78 | 0 | 0 | 0 | 0 | 111.7 | W53 V54 R60 S61 | W53-C57 VanDerWaalsContact CE2-SG 3.52Å; W53-C57 PolarHBondContact NE1-SG 2.91Å; W53-C57 WeakPolarHBondContact O-CB 3.48Å; W53-C57 PolarHBondContact O-N 3.43Å; W53-C57 PolarHBondContact O-SG 3.47Å; V54-C57 PolarHBondContact O-N 2.88Å; C57-R60 PolarHBondContact O-N 3.4Å; C57-S61 WeakPolarHBondContact O-CB 3.36Å; C57-S61 PolarHBondContact O-N 3.22Å |
| 58 | W | 98.3 | Very high | 98.1 | Very high | 149 Ų | 149 | 98.9 Ų | 98.9 | 56% | 0.564 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.7 | -47.2 | 175.1 | 174 | 83.5 | 0 | 0 | 0 | 111.6 | V54 I55 R60 S61 M62 | V54-W58 WeakPolarHBondContact O-CB 3.46Å; V54-W58 PolarHBondContact O-N 3.17Å; I55-W58 PolarHBondContact O-N 2.95Å; W58-R60 PolarHBondContact O-N 3.37Å; W58-S61 WeakPolarHBondContact O-CB 3.38Å; W58-S61 PolarHBondContact O-N 2.87Å; W58-M62 HydrophobicContact CH2-CE 4.33Å; W58-M62 HydrophobicContact CZ2-CE 3.56Å; W58-M62 PolarHBondContact O-N 2.97Å |
| 59 | W | 98.3 | Very high | 98.1 | Very high | 137 Ų | 137 | 101.2 Ų | 101.2 | 52% | 0.519 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 178.8 | -179.3 | -110.8 | 0 | 0 | 0 | 112.1 | I55 Q56 S61 M62 Q63 | I55-W59 WeakPolarHBondContact O-CB 3.31Å; I55-W59 PolarHBondContact O-N 3.39Å; Q56-W59 PolarHBondContact O-N 3.47Å; W59-S61 VanDerWaalsContact C-N 3.31Å; W59-S61 PolarHBondContact O-N 3.42Å; W59-M62 WeakPolarHBondContact O-CB 3.4Å; W59-M62 PolarHBondContact O-N 3.46Å; W59-Q63 HydrophobicContact CD2-CG 4.32Å; W59-Q63 VanDerWaalsContact CH2-NE2 3.35Å; W59-Q63 HydrophobicContact CZ2-CG 4.31Å; W59-Q63 WeakPolarHBondContact O-CG 3.48Å; W59-Q63 PolarHBondContact O-N 3.29Å |
| 60 | R | 98.2 | Very high | 98 | Very high | 177 Ų | 177 | 107 Ų | 107 | 67% | 0.668 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59.8 | -41.7 | 176 | -72.3 | 174.9 | -176.2 | -175.3 | 2.4 | 111.9 | Q56 C57 W58 Q63 A64 | Q56-R60 WeakPolarHBondContact O-CB 3.42Å; Q56-R60 VanDerWaalsContact O-CG 3.3Å; Q56-R60 WeakPolarHBondContact O-CG 3.49Å; Q56-R60 PolarHBondContact O-N 2.93Å; C57-R60 PolarHBondContact O-N 3.4Å; W58-R60 PolarHBondContact O-N 3.37Å; R60-Q63 PolarHBondContact O-N 2.93Å; R60-A64 PolarHBondContact O-N 3.22Å |
| 61 | S | 97.9 | Very high | 98 | Very high | 55 Ų | 55 | 110.6 Ų | 110.6 | 39% | 0.385 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.4 | -42.9 | 175.1 | -173.7 | 0 | 0 | 0 | 0 | 111.8 | C57 W58 W59 A64 K65 | C57-S61 WeakPolarHBondContact O-CB 3.36Å; C57-S61 PolarHBondContact O-N 3.22Å; W58-S61 WeakPolarHBondContact O-CB 3.38Å; W58-S61 PolarHBondContact O-N 2.87Å; W59-S61 VanDerWaalsContact C-N 3.31Å; W59-S61 PolarHBondContact O-N 3.42Å; S61-A64 PolarHBondContact O-N 2.93Å; S61-K65 WeakPolarHBondContact O-CG 3.34Å; S61-K65 PolarHBondContact O-N 3.43Å |
| 62 | M | 97.9 | Very high | 97.9 | Very high | 56 Ų | 56 | 106.9 Ų | 106.9 | 28% | 0.276 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.4 | -45.1 | 176.9 | -172.5 | 64.4 | 81.5 | 0 | 0 | 111.5 | W58 W59 A64 K65 M66 | W58-M62 HydrophobicContact CH2-CE 4.33Å; W58-M62 HydrophobicContact CZ2-CE 3.56Å; W58-M62 PolarHBondContact O-N 2.97Å; W59-M62 WeakPolarHBondContact O-CB 3.4Å; W59-M62 PolarHBondContact O-N 3.46Å; M62-A64 PolarHBondContact O-N 3.45Å; M62-K65 WeakPolarHBondContact O-CB 3.3Å; M62-K65 PolarHBondContact O-N 3.44Å; M62-M66 HydrophobicContact CG-CE 3.9Å; M62-M66 HydrophobicContact CG-SD 4.48Å; M62-M66 WeakPolarHBondContact O-CG 3.35Å; M62-M66 PolarHBondContact O-N 2.85Å; M62-M66 HydrophobicContact SD-CE 4.17Å |
| 63 | Q | 98.1 | Very high | 97.9 | Very high | 84 Ų | 84 | 109.5 Ų | 109.5 | 39% | 0.393 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.6 | -45.6 | 176.6 | -72.6 | -62.6 | -33.7 | 0 | 0 | 112 | W59 R60 K65 M66 L67 | W59-Q63 HydrophobicContact CD2-CG 4.32Å; W59-Q63 VanDerWaalsContact CH2-NE2 3.35Å; W59-Q63 HydrophobicContact CZ2-CG 4.31Å; W59-Q63 WeakPolarHBondContact O-CG 3.48Å; W59-Q63 PolarHBondContact O-N 3.29Å; R60-Q63 PolarHBondContact O-N 2.93Å; Q63-K65 VanDerWaalsContact C-N 3.34Å; Q63-K65 PolarHBondContact O-N 3.03Å; Q63-M66 PolarHBondContact O-N 3.03Å; Q63-L67 WeakPolarHBondContact O-CB 3.49Å; Q63-L67 PolarHBondContact O-N 2.98Å |
| 64 | A | 97.8 | Very high | 97.8 | Very high | 61 Ų | 61 | 105 Ų | 105 | 50% | 0.504 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.5 | -42.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | R60 S61 M62 L67 E68 | R60-A64 PolarHBondContact O-N 3.22Å; S61-A64 PolarHBondContact O-N 2.93Å; M62-A64 PolarHBondContact O-N 3.45Å; A64-L67 PolarHBondContact O-N 3.41Å; A64-E68 WeakPolarHBondContact O-CB 3.48Å; A64-E68 PolarHBondContact O-N 2.99Å |
| 65 | K | 97.8 | Very high | 97.8 | Very high | 126 Ų | 126 | 105.6 Ų | 105.6 | 55% | 0.548 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.7 | -44.9 | 175.9 | -73.6 | 173.6 | -176.7 | 178.4 | 0 | 112.2 | S61 M62 Q63 E68 Q69 | S61-K65 WeakPolarHBondContact O-CG 3.34Å; S61-K65 PolarHBondContact O-N 3.43Å; M62-K65 WeakPolarHBondContact O-CB 3.3Å; M62-K65 PolarHBondContact O-N 3.44Å; Q63-K65 VanDerWaalsContact C-N 3.34Å; Q63-K65 PolarHBondContact O-N 3.03Å; K65-E68 PolarHBondContact O-N 3.42Å; K65-Q69 WeakPolarHBondContact O-CB 3.34Å; K65-Q69 WeakPolarHBondContact O-CG 3.42Å; K65-Q69 PolarHBondContact O-N 3.39Å |
| 66 | M | 97.8 | Very high | 97.7 | Very high | 76 Ų | 76 | 108.4 Ų | 108.4 | 37% | 0.374 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 178.6 | -73.7 | -176.4 | 176.5 | 0 | 0 | 111.8 | M62 Q63 E68 Q69 R70 | M62-M66 HydrophobicContact CG-CE 3.9Å; M62-M66 HydrophobicContact CG-SD 4.48Å; M62-M66 WeakPolarHBondContact O-CG 3.35Å; M62-M66 PolarHBondContact O-N 2.85Å; M62-M66 HydrophobicContact SD-CE 4.17Å; Q63-M66 PolarHBondContact O-N 3.03Å; M66-E68 PolarHBondContact O-N 3.27Å; M66-Q69 PolarHBondContact O-N 3.48Å; M66-R70 WeakPolarHBondContact O-CG 3.39Å; M66-R70 PolarHBondContact O-N 3.46Å |
| 67 | L | 97.8 | Very high | 97.7 | Very high | 123 Ų | 123 | 108.9 Ų | 108.9 | 64% | 0.644 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.1 | -45.9 | 177 | -178 | 62.1 | 0 | 0 | 0 | 111.3 | Q63 A64 Q69 R70 R71 | Q63-L67 WeakPolarHBondContact O-CB 3.49Å; Q63-L67 PolarHBondContact O-N 2.98Å; A64-L67 PolarHBondContact O-N 3.41Å; L67-Q69 PolarHBondContact O-N 3.31Å; L67-R70 PolarHBondContact O-N 3.34Å; L67-R71 PolarHBondContact O-N 3.49Å |
| 68 | E | 97.7 | Very high | 97.6 | Very high | 77 Ų | 77 | 112.8 Ų | 112.8 | 36% | 0.36 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.6 | -37.7 | 179.3 | -175 | 57 | -148.7 | 0 | 0 | 112 | A64 K65 M66 R71 R72 | A64-E68 WeakPolarHBondContact O-CB 3.48Å; A64-E68 PolarHBondContact O-N 2.99Å; K65-E68 PolarHBondContact O-N 3.42Å; M66-E68 PolarHBondContact O-N 3.27Å; E68-R71 PolarHBondContact O-N 2.95Å; E68-R72 WeakPolarHBondContact O-CB 3.36Å; E68-R72 WeakPolarHBondContact O-CG 3.37Å; E68-R72 PolarHBondContact O-N 3.5Å; E68-R72 IonicContact OE1-NH1 3.77Å |
| 69 | Q | 97.5 | Very high | 97.4 | Very high | 109 Ų | 109 | 108.5 Ų | 108.5 | 51% | 0.509 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.1 | -46 | 171.9 | -77.4 | 179.5 | -22.9 | 0 | 0 | 112.1 | K65 M66 L67 R71 R72 L73 | K65-Q69 WeakPolarHBondContact O-CB 3.34Å; K65-Q69 WeakPolarHBondContact O-CG 3.42Å; K65-Q69 PolarHBondContact O-N 3.39Å; M66-Q69 PolarHBondContact O-N 3.48Å; L67-Q69 PolarHBondContact O-N 3.31Å; Q69-R71 PolarHBondContact O-N 2.95Å; Q69-R72 PolarHBondContact O-N 2.98Å; Q69-L73 WeakPolarHBondContact O-CG 3.47Å; Q69-L73 PolarHBondContact O-N 3.36Å |
| 70 | R | 97.4 | Very high | 97.3 | Very high | 180 Ų | 180 | 106 Ų | 106 | 68% | 0.679 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.5 | -44.8 | 176.2 | -73 | 175.8 | -178.2 | -179.4 | 0.9 | 111.6 | M66 L67 R72 L73 A74 | M66-R70 WeakPolarHBondContact O-CG 3.39Å; M66-R70 PolarHBondContact O-N 3.46Å; L67-R70 PolarHBondContact O-N 3.34Å; R70-R72 PolarHBondContact O-N 3.41Å; R70-L73 PolarHBondContact O-N 2.95Å; R70-A74 PolarHBondContact O-N 2.96Å |
| 71 | R | 97.1 | Very high | 97.2 | Very high | 165 Ų | 165 | 103.6 Ų | 103.6 | 62% | 0.623 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.1 | -47.3 | 176.8 | -172.1 | 178.7 | -176.1 | 172.7 | 1.9 | 111.7 | L67 E68 Q69 L73 A74 L75 | L67-R71 PolarHBondContact O-N 3.49Å; E68-R71 PolarHBondContact O-N 2.95Å; Q69-R71 PolarHBondContact O-N 2.95Å; R71-L73 PolarHBondContact O-N 3.49Å; R71-A74 PolarHBondContact O-N 3.21Å; R71-L75 HydrophobicContact CG-CD1 4.34Å; R71-L75 WeakPolarHBondContact O-CG 3.5Å; R71-L75 PolarHBondContact O-N 2.94Å |
| 72 | R | 97.5 | Very high | 97.2 | Very high | 114 Ų | 114 | 105.3 Ų | 105.3 | 43% | 0.43 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63 | -40.5 | 177.9 | -75 | -174 | -68.7 | -125.1 | 1 | 112.8 | E68 Q69 R70 L75 R76 | E68-R72 WeakPolarHBondContact O-CB 3.36Å; E68-R72 WeakPolarHBondContact O-CG 3.37Å; E68-R72 PolarHBondContact O-N 3.5Å; E68-R72 IonicContact OE1-NH1 3.77Å; Q69-R72 PolarHBondContact O-N 2.98Å; R70-R72 PolarHBondContact O-N 3.41Å; R72-L75 PolarHBondContact O-N 3.49Å; R72-R76 WeakPolarHBondContact O-CG 3.4Å; R72-R76 PolarHBondContact O-N 3.37Å |
| 73 | L | 97.6 | Very high | 97.1 | Very high | 102 Ų | 102 | 112 Ų | 112 | 53% | 0.534 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.5 | -46.3 | 176.1 | -73.6 | 169.4 | 0 | 0 | 0 | 111.3 | Q69 R70 R71 L75 R76 L77 | Q69-L73 WeakPolarHBondContact O-CG 3.47Å; Q69-L73 PolarHBondContact O-N 3.36Å; R70-L73 PolarHBondContact O-N 2.95Å; R71-L73 PolarHBondContact O-N 3.49Å; L73-L75 VanDerWaalsContact C-N 3.34Å; L73-L75 PolarHBondContact O-N 2.95Å; L73-R76 PolarHBondContact O-N 3.34Å; L73-L77 WeakPolarHBondContact O-CG 3.33Å; L73-L77 PolarHBondContact O-N 3.02Å |
| 74 | A | 96.9 | Very high | 97.1 | Very high | 60 Ų | 60 | 110.4 Ų | 110.4 | 50% | 0.496 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58 | -45.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R70 R71 R76 L77 Y78 | R70-A74 PolarHBondContact O-N 2.96Å; R71-A74 PolarHBondContact O-N 3.21Å; A74-R76 PolarHBondContact O-N 3.41Å; A74-L77 PolarHBondContact O-N 2.92Å; A74-Y78 WeakPolarHBondContact O-CB 3.37Å; A74-Y78 PolarHBondContact O-N 3.48Å |
| 75 | L | 97.3 | Very high | 97.1 | Very high | 99 Ų | 99 | 111.2 Ų | 111.2 | 52% | 0.518 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.2 | -40.5 | 176.6 | -72 | 172.2 | 0 | 0 | 0 | 112.8 | R71 R72 L73 T79 | R71-L75 HydrophobicContact CG-CD1 4.34Å; R71-L75 WeakPolarHBondContact O-CG 3.5Å; R71-L75 PolarHBondContact O-N 2.94Å; R72-L75 PolarHBondContact O-N 3.49Å; L73-L75 VanDerWaalsContact C-N 3.34Å; L73-L75 PolarHBondContact O-N 2.95Å; L75-T79 WeakPolarHBondContact O-CB 3.3Å; L75-T79 WeakPolarHBondContact O-CG2 3.39Å; L75-T79 PolarHBondContact O-N 3.15Å; L75-T79 PolarHBondContact O-OG1 2.87Å |
| 76 | R | 97.5 | Very high | 97.1 | Very high | 172 Ų | 172 | 109.3 Ų | 109.3 | 65% | 0.649 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.7 | -42.8 | 176.5 | -76.9 | 178.1 | -180 | 179.7 | -0.7 | 112.1 | R72 L73 A74 T79 C80 | R72-R76 WeakPolarHBondContact O-CG 3.4Å; R72-R76 PolarHBondContact O-N 3.37Å; L73-R76 PolarHBondContact O-N 3.34Å; A74-R76 PolarHBondContact O-N 3.41Å; R76-T79 WeakPolarHBondContact CA-OG1 3.38Å; R76-T79 PolarHBondContact O-OG1 3.23Å; R76-C80 WeakPolarHBondContact O-CB 3.48Å; R76-C80 PolarHBondContact O-N 2.97Å; R76-C80 PolarHBondContact O-SG 2.94Å |
| 77 | L | 96.8 | Very high | 97.1 | Very high | 114 Ų | 114 | 112.8 Ų | 112.8 | 60% | 0.597 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.2 | -46.4 | 177.8 | -70.5 | 173.3 | 0 | 0 | 0 | 111 | L73 A74 C80 Q81 | L73-L77 WeakPolarHBondContact O-CG 3.33Å; L73-L77 PolarHBondContact O-N 3.02Å; A74-L77 PolarHBondContact O-N 2.92Å; L77-C80 PolarHBondContact O-N 3.38Å; L77-Q81 WeakPolarHBondContact O-CG 3.43Å; L77-Q81 PolarHBondContact O-N 3.47Å |
| 78 | Y | 95.6 | Very high | 97.1 | Very high | 133 Ų | 133 | 111.4 Ų | 111.4 | 52% | 0.522 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58.2 | -50.9 | 177.2 | -178.3 | -101.1 | 0 | 0 | 0 | 111.7 | A74 C80 Q81 E82 | A74-Y78 WeakPolarHBondContact O-CB 3.37Å; A74-Y78 PolarHBondContact O-N 3.48Å; Y78-C80 PolarHBondContact O-N 3.2Å; Y78-Q81 WeakPolarHBondContact O-CB 3.35Å; Y78-Q81 PolarHBondContact O-N 2.88Å; Y78-Q81 VanDerWaalsContact O-N 3.15Å; Y78-E82 HydrophobicContact CD1-CG 4.29Å; Y78-E82 HydrophobicContact CE1-CG 3.91Å; Y78-E82 WeakPolarHBondContact CE1-OE2 3.33Å; Y78-E82 HydrophobicContact CE2-CG 4.47Å; Y78-E82 PolarHBondContact O-N 3.42Å; Y78-E82 PolarHBondContact OH-OE1 2.95Å |
| 79 | T | 96.1 | Very high | 97.1 | Very high | 58 Ų | 58 | 111.9 Ų | 111.9 | 36% | 0.356 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 178.5 | 50.1 | 0 | 0 | 0 | 0 | 111.7 | L75 R76 Q81 E82 W83 | L75-T79 WeakPolarHBondContact O-CB 3.3Å; L75-T79 WeakPolarHBondContact O-CG2 3.39Å; L75-T79 PolarHBondContact O-N 3.15Å; L75-T79 PolarHBondContact O-OG1 2.87Å; R76-T79 WeakPolarHBondContact CA-OG1 3.38Å; R76-T79 PolarHBondContact O-OG1 3.23Å; T79-Q81 VanDerWaalsContact C-N 3.28Å; T79-Q81 PolarHBondContact O-N 3.34Å; T79-E82 PolarHBondContact O-N 3.33Å; T79-W83 PolarHBondContact O-N 2.98Å |
| 80 | C | 96.1 | Very high | 97.1 | Very high | 84 Ų | 84 | 109 Ų | 109 | 57% | 0.568 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -58.2 | -40.7 | 175.5 | -71.8 | 0 | 0 | 0 | 0 | 112.3 | R76 L77 Y78 A84 | R76-C80 WeakPolarHBondContact O-CB 3.48Å; R76-C80 PolarHBondContact O-N 2.97Å; R76-C80 PolarHBondContact O-SG 2.94Å; L77-C80 PolarHBondContact O-N 3.38Å; Y78-C80 PolarHBondContact O-N 3.2Å; C80-A84 WeakPolarHBondContact O-CB 3.31Å; C80-A84 PolarHBondContact O-N 2.9Å |
| 81 | Q | 96.1 | Very high | 97.2 | Very high | 128 Ų | 128 | 105.3 Ų | 105.3 | 60% | 0.598 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.2 | -46.7 | 175.8 | -73.8 | 177.8 | -13.5 | 0 | 0 | 111.5 | L77 Y78 T79 W83 A84 V85 | L77-Q81 WeakPolarHBondContact O-CG 3.43Å; L77-Q81 PolarHBondContact O-N 3.47Å; Y78-Q81 WeakPolarHBondContact O-CB 3.35Å; Y78-Q81 PolarHBondContact O-N 2.88Å; Y78-Q81 VanDerWaalsContact O-N 3.15Å; T79-Q81 VanDerWaalsContact C-N 3.28Å; T79-Q81 PolarHBondContact O-N 3.34Å; Q81-W83 PolarHBondContact O-N 3.15Å; Q81-A84 PolarHBondContact O-N 2.95Å; Q81-V85 VanDerWaalsContact O-CG2 3.3Å; Q81-V85 WeakPolarHBondContact O-CG2 3.43Å; Q81-V85 PolarHBondContact O-N 2.96Å |
| 82 | E | 96.9 | Very high | 97.2 | Very high | 90 Ų | 90 | 100.6 Ų | 100.6 | 42% | 0.421 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.2 | -47.6 | 176.8 | -70.5 | -165.8 | 114.3 | 0 | 0 | 111.9 | Y78 T79 A84 V85 V86 | Y78-E82 HydrophobicContact CD1-CG 4.29Å; Y78-E82 HydrophobicContact CE1-CG 3.91Å; Y78-E82 WeakPolarHBondContact CE1-OE2 3.33Å; Y78-E82 HydrophobicContact CE2-CG 4.47Å; Y78-E82 PolarHBondContact O-N 3.42Å; Y78-E82 PolarHBondContact OH-OE1 2.95Å; T79-E82 PolarHBondContact O-N 3.33Å; E82-A84 VanDerWaalsContact C-N 3.3Å; E82-A84 PolarHBondContact O-N 3.36Å; E82-V85 PolarHBondContact O-N 2.92Å; E82-V86 WeakPolarHBondContact O-CG2 3.35Å; E82-V86 PolarHBondContact O-N 3.21Å |
| 83 | W | 96.9 | Very high | 97.3 | Very high | 196 Ų | 196 | 102.6 Ų | 102.6 | 74% | 0.742 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58.5 | -42.7 | 176.4 | -81.6 | 106.3 | 0 | 0 | 0 | 112 | T79 Q81 K87 | T79-W83 PolarHBondContact O-N 2.98Å; Q81-W83 PolarHBondContact O-N 3.15Å; W83-K87 VanDerWaalsContact O-CB 3.31Å; W83-K87 WeakPolarHBondContact O-CB 3.31Å; W83-K87 PolarHBondContact O-N 3.26Å |
| 84 | A | 96.6 | Very high | 97.3 | Very high | 52 Ų | 52 | 102.5 Ų | 102.5 | 43% | 0.43 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63 | -45.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | C80 Q81 E82 K87 V88 | C80-A84 WeakPolarHBondContact O-CB 3.31Å; C80-A84 PolarHBondContact O-N 2.9Å; Q81-A84 PolarHBondContact O-N 2.95Å; E82-A84 VanDerWaalsContact C-N 3.3Å; E82-A84 PolarHBondContact O-N 3.36Å; A84-K87 PolarHBondContact O-N 2.92Å; A84-V88 WeakPolarHBondContact O-CG2 3.13Å; A84-V88 PolarHBondContact O-N 3Å |
| 85 | V | 97.6 | Very high | 97.4 | Very high | 77 Ų | 77 | 106.7 Ų | 106.7 | 47% | 0.467 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61 | -49.5 | 178.1 | 170.4 | 0 | 0 | 0 | 0 | 110.8 | Q81 E82 K87 V88 Q89 | Q81-V85 VanDerWaalsContact O-CG2 3.3Å; Q81-V85 WeakPolarHBondContact O-CG2 3.43Å; Q81-V85 PolarHBondContact O-N 2.96Å; E82-V85 PolarHBondContact O-N 2.92Å; V85-K87 VanDerWaalsContact C-N 3.29Å; V85-K87 PolarHBondContact O-N 3.04Å; V85-V88 PolarHBondContact O-N 3.36Å; V85-Q89 HydrophobicContact CG1-CG 4.21Å; V85-Q89 WeakPolarHBondContact O-CB 3.37Å; V85-Q89 VanDerWaalsContact O-CG 3.26Å; V85-Q89 WeakPolarHBondContact O-CG 3.26Å; V85-Q89 PolarHBondContact O-N 2.85Å |
| 86 | V | 97.9 | Very high | 97.5 | Very high | 87 Ų | 87 | 105.6 Ų | 105.6 | 53% | 0.527 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.2 | -43.1 | 178.7 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | E82 Q89 A90 | E82-V86 WeakPolarHBondContact O-CG2 3.35Å; E82-V86 PolarHBondContact O-N 3.21Å; V86-Q89 PolarHBondContact O-N 3.39Å; V86-A90 WeakPolarHBondContact O-CB 3.42Å; V86-A90 PolarHBondContact O-N 3.3Å |
| 87 | K | 97.6 | Very high | 97.5 | Very high | 149 Ų | 149 | 100.2 Ų | 100.2 | 65% | 0.648 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.6 | -47.9 | 177.9 | -170.6 | 172.6 | -175.6 | 177.3 | 0 | 111.6 | W83 A84 V85 A90 Q91 | W83-K87 VanDerWaalsContact O-CB 3.31Å; W83-K87 WeakPolarHBondContact O-CB 3.31Å; W83-K87 PolarHBondContact O-N 3.26Å; A84-K87 PolarHBondContact O-N 2.92Å; V85-K87 VanDerWaalsContact C-N 3.29Å; V85-K87 PolarHBondContact O-N 3.04Å; K87-A90 PolarHBondContact O-N 3.35Å; K87-Q91 VanDerWaalsContact O-CG 3.31Å; K87-Q91 WeakPolarHBondContact O-CG 3.4Å; K87-Q91 PolarHBondContact O-N 3.33Å |
| 88 | V | 98.1 | Very high | 97.6 | Very high | 93 Ų | 93 | 102.7 Ų | 102.7 | 56% | 0.564 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.3 | -46.9 | 177.4 | 170.8 | 0 | 0 | 0 | 0 | 110.6 | A84 V85 A90 Q91 V92 | A84-V88 WeakPolarHBondContact O-CG2 3.13Å; A84-V88 PolarHBondContact O-N 3Å; V85-V88 PolarHBondContact O-N 3.36Å; V88-A90 VanDerWaalsContact C-N 3.33Å; V88-A90 PolarHBondContact O-N 2.86Å; V88-Q91 PolarHBondContact O-N 3.2Å; V88-V92 HydrophobicContact CG1-CG2 4.39Å; V88-V92 WeakPolarHBondContact O-CG2 3.35Å; V88-V92 PolarHBondContact O-N 2.89Å |
| 89 | Q | 98.4 | Very high | 97.7 | Very high | 87 Ų | 87 | 102.5 Ų | 102.5 | 41% | 0.407 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.5 | -42.1 | 178.4 | -71.8 | -178.9 | -3.4 | 0 | 0 | 112.3 | V85 V86 V92 R93 | V85-Q89 HydrophobicContact CG1-CG 4.21Å; V85-Q89 WeakPolarHBondContact O-CB 3.37Å; V85-Q89 VanDerWaalsContact O-CG 3.26Å; V85-Q89 WeakPolarHBondContact O-CG 3.26Å; V85-Q89 PolarHBondContact O-N 2.85Å; V86-Q89 PolarHBondContact O-N 3.39Å; Q89-V92 PolarHBondContact O-N 2.86Å; Q89-R93 WeakPolarHBondContact O-CG 3.39Å; Q89-R93 PolarHBondContact O-N 3.33Å |
| 90 | A | 97.8 | Very high | 97.8 | Very high | 49 Ų | 49 | 107.8 Ų | 107.8 | 41% | 0.405 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V86 K87 V88 R93 M94 | V86-A90 WeakPolarHBondContact O-CB 3.42Å; V86-A90 PolarHBondContact O-N 3.3Å; K87-A90 PolarHBondContact O-N 3.35Å; V88-A90 VanDerWaalsContact C-N 3.33Å; V88-A90 PolarHBondContact O-N 2.86Å; A90-R93 PolarHBondContact O-N 3.43Å; A90-M94 WeakPolarHBondContact O-CB 3.43Å; A90-M94 PolarHBondContact O-N 3.46Å |
| 91 | Q | 98.3 | Very high | 97.9 | Very high | 103 Ų | 103 | 110 Ų | 110 | 48% | 0.481 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 175.9 | -68.7 | -60.6 | -46.8 | 0 | 0 | 111.9 | K87 V88 R93 M94 W95 | K87-Q91 VanDerWaalsContact O-CG 3.31Å; K87-Q91 WeakPolarHBondContact O-CG 3.4Å; K87-Q91 PolarHBondContact O-N 3.33Å; V88-Q91 PolarHBondContact O-N 3.2Å; Q91-R93 PolarHBondContact O-N 3.37Å; Q91-M94 PolarHBondContact O-N 2.91Å; Q91-M94 VanDerWaalsContact OE1-CE 3.28Å; Q91-W95 WeakPolarHBondContact O-CB 3.35Å; Q91-W95 PolarHBondContact O-N 3.5Å |
| 92 | V | 98.4 | Very high | 98 | Very high | 66 Ų | 66 | 107 Ų | 107 | 40% | 0.4 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.3 | -46.3 | 177.1 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | V88 Q89 M94 W95 Q96 | V88-V92 HydrophobicContact CG1-CG2 4.39Å; V88-V92 WeakPolarHBondContact O-CG2 3.35Å; V88-V92 PolarHBondContact O-N 2.89Å; Q89-V92 PolarHBondContact O-N 2.86Å; V92-M94 PolarHBondContact O-N 3.32Å; V92-W95 PolarHBondContact O-N 3.39Å; V92-Q96 HydrophobicContact CG1-CG 4.47Å; V92-Q96 VanDerWaalsContact O-CG 3.31Å; V92-Q96 WeakPolarHBondContact O-CG 3.35Å; V92-Q96 PolarHBondContact O-N 3.42Å |
| 93 | R | 98.3 | Very high | 98.1 | Very high | 156 Ų | 156 | 107.6 Ų | 107.6 | 59% | 0.589 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.4 | -45 | 177.2 | -72.3 | -179.6 | -175.4 | 108 | 2.3 | 111.7 | Q89 A90 Q91 Q96 A97 | Q89-R93 WeakPolarHBondContact O-CG 3.39Å; Q89-R93 PolarHBondContact O-N 3.33Å; A90-R93 PolarHBondContact O-N 3.43Å; Q91-R93 PolarHBondContact O-N 3.37Å; R93-Q96 PolarHBondContact O-N 3.5Å; R93-A97 PolarHBondContact O-N 2.95Å |
| 94 | M | 98.5 | Very high | 98.1 | Very high | 100 Ų | 100 | 101.2 Ų | 101.2 | 49% | 0.493 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.1 | -45.5 | 177 | 178.7 | -95.9 | -77.6 | 0 | 0 | 111.8 | A90 Q91 V92 Q96 A97 R98 | A90-M94 WeakPolarHBondContact O-CB 3.43Å; A90-M94 PolarHBondContact O-N 3.46Å; Q91-M94 PolarHBondContact O-N 2.91Å; Q91-M94 VanDerWaalsContact OE1-CE 3.28Å; V92-M94 PolarHBondContact O-N 3.32Å; M94-Q96 PolarHBondContact O-N 3.33Å; M94-A97 PolarHBondContact O-N 3.47Å; M94-R98 WeakPolarHBondContact O-CB 3.31Å; M94-R98 PolarHBondContact O-N 2.96Å |
| 95 | W | 98.4 | Very high | 98.2 | Very high | 147 Ų | 147 | 105.7 Ų | 105.7 | 56% | 0.557 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.3 | -44.9 | 177.2 | 174.8 | 83.9 | 0 | 0 | 0 | 112.1 | Q91 V92 A97 R98 R99 | Q91-W95 WeakPolarHBondContact O-CB 3.35Å; Q91-W95 PolarHBondContact O-N 3.5Å; V92-W95 PolarHBondContact O-N 3.39Å; W95-A97 PolarHBondContact O-N 2.9Å; W95-R98 PolarHBondContact O-N 2.9Å; W95-R99 WeakPolarHBondContact O-CB 3.36Å; W95-R99 PolarHBondContact O-N 3.43Å |
| 96 | Q | 98.5 | Very high | 98.2 | Very high | 77 Ų | 77 | 108.3 Ų | 108.3 | 36% | 0.36 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.8 | -46.5 | 177.1 | -71.9 | 176.7 | 6.3 | 0 | 0 | 111.7 | V92 R93 M94 R99 R100 | V92-Q96 HydrophobicContact CG1-CG 4.47Å; V92-Q96 VanDerWaalsContact O-CG 3.31Å; V92-Q96 WeakPolarHBondContact O-CG 3.35Å; V92-Q96 PolarHBondContact O-N 3.42Å; R93-Q96 PolarHBondContact O-N 3.5Å; M94-Q96 PolarHBondContact O-N 3.33Å; Q96-R99 PolarHBondContact O-N 2.93Å; Q96-R100 WeakPolarHBondContact O-CG 3.36Å; Q96-R100 PolarHBondContact O-N 3.33Å |
| 97 | A | 98.3 | Very high | 98.2 | Very high | 59 Ų | 59 | 106.5 Ų | 106.5 | 49% | 0.488 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.3 | -46.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | R93 M94 W95 R99 R100 F101 | R93-A97 PolarHBondContact O-N 2.95Å; M94-A97 PolarHBondContact O-N 3.47Å; W95-A97 PolarHBondContact O-N 2.9Å; A97-R99 VanDerWaalsContact C-N 3.34Å; A97-R99 PolarHBondContact O-N 3.5Å; A97-R100 PolarHBondContact O-N 3.4Å; A97-F101 PolarHBondContact O-N 2.95Å |
| 98 | R | 98.1 | Very high | 98.2 | Very high | 165 Ų | 165 | 101.5 Ų | 101.5 | 62% | 0.623 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.3 | -43.5 | 177.4 | -174.1 | 177.7 | -177.4 | -143.3 | 0.4 | 111.7 | M94 W95 F101 L102 | M94-R98 WeakPolarHBondContact O-CB 3.31Å; M94-R98 PolarHBondContact O-N 2.96Å; W95-R98 PolarHBondContact O-N 2.9Å; R98-F101 PolarHBondContact O-N 3.32Å; R98-L102 HydrophobicContact CG-CD1 4.07Å; R98-L102 HydrophobicContact CG-CG 4.42Å; R98-L102 WeakPolarHBondContact O-CB 3.5Å; R98-L102 VanDerWaalsContact O-CG 3.31Å; R98-L102 WeakPolarHBondContact O-CG 3.32Å; R98-L102 PolarHBondContact O-N 3.32Å |
| 99 | R | 98.3 | Very high | 98.2 | Very high | 130 Ų | 130 | 100.2 Ų | 100.2 | 49% | 0.491 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.6 | -47.5 | 178.3 | -177.6 | 176.5 | 174.5 | -140.5 | -0.8 | 111.4 | W95 Q96 A97 F101 L102 Q103 | W95-R99 WeakPolarHBondContact O-CB 3.36Å; W95-R99 PolarHBondContact O-N 3.43Å; Q96-R99 PolarHBondContact O-N 2.93Å; A97-R99 VanDerWaalsContact C-N 3.34Å; A97-R99 PolarHBondContact O-N 3.5Å; R99-F101 PolarHBondContact O-N 2.85Å; R99-L102 PolarHBondContact O-N 2.99Å; R99-Q103 VanDerWaalsContact O-CG 3.31Å; R99-Q103 WeakPolarHBondContact O-CG 3.31Å; R99-Q103 PolarHBondContact O-N 2.99Å |
| 100 | R | 98.3 | Very high | 98.2 | Very high | 168 Ų | 168 | 100.9 Ų | 100.9 | 63% | 0.634 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.3 | -45 | 177.3 | -69.9 | 176.3 | -170.1 | 157 | 4 | 111.7 | Q96 A97 L102 Q103 A104 | Q96-R100 WeakPolarHBondContact O-CG 3.36Å; Q96-R100 PolarHBondContact O-N 3.33Å; A97-R100 PolarHBondContact O-N 3.4Å; R100-L102 PolarHBondContact O-N 2.99Å; R100-Q103 PolarHBondContact O-N 3.48Å; R100-A104 PolarHBondContact O-N 3.45Å |
| 101 | F | 98.3 | Very high | 98.1 | Very high | 130 Ų | 130 | 104.2 Ų | 104.2 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.9 | -47.3 | 176.9 | 172.3 | -101.2 | 0 | 0 | 0 | 112.1 | A97 R98 R99 Q103 A104 R105 | A97-F101 PolarHBondContact O-N 2.95Å; R98-F101 PolarHBondContact O-N 3.32Å; R99-F101 PolarHBondContact O-N 2.85Å; F101-Q103 VanDerWaalsContact C-N 3.33Å; F101-Q103 PolarHBondContact O-N 3.32Å; F101-A104 PolarHBondContact O-N 3.36Å; F101-R105 WeakPolarHBondContact O-CB 3.31Å; F101-R105 PolarHBondContact O-N 3.39Å |
| 102 | L | 98.4 | Very high | 98 | Very high | 67 Ų | 67 | 104.8 Ų | 104.8 | 35% | 0.351 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.9 | -40.4 | 179.3 | -71.5 | 174.3 | 0 | 0 | 0 | 112 | R98 R99 R100 R105 Q106 | R98-L102 HydrophobicContact CG-CD1 4.07Å; R98-L102 HydrophobicContact CG-CG 4.42Å; R98-L102 WeakPolarHBondContact O-CB 3.5Å; R98-L102 VanDerWaalsContact O-CG 3.31Å; R98-L102 WeakPolarHBondContact O-CG 3.32Å; R98-L102 PolarHBondContact O-N 3.32Å; R99-L102 PolarHBondContact O-N 2.99Å; R100-L102 PolarHBondContact O-N 2.99Å; L102-R105 PolarHBondContact O-N 3.36Å; L102-Q106 WeakPolarHBondContact O-CB 3.35Å; L102-Q106 PolarHBondContact O-N 3.11Å |
| 103 | Q | 98.3 | Very high | 97.9 | Very high | 101 Ų | 101 | 105 Ų | 105 | 47% | 0.472 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.4 | -48.9 | 175 | -73.9 | 174.1 | -30.9 | 0 | 0 | 111.7 | R99 R100 F101 R105 Q106 A107 | R99-Q103 VanDerWaalsContact O-CG 3.31Å; R99-Q103 WeakPolarHBondContact O-CG 3.31Å; R99-Q103 PolarHBondContact O-N 2.99Å; R100-Q103 PolarHBondContact O-N 3.48Å; F101-Q103 VanDerWaalsContact C-N 3.33Å; F101-Q103 PolarHBondContact O-N 3.32Å; Q103-R105 VanDerWaalsContact C-N 3.35Å; Q103-R105 PolarHBondContact O-N 3.06Å; Q103-Q106 PolarHBondContact O-N 2.84Å; Q103-A107 PolarHBondContact O-N 2.98Å |
| 104 | A | 98.1 | Very high | 97.7 | Very high | 63 Ų | 63 | 103.6 Ų | 103.6 | 52% | 0.521 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | R100 F101 A107 A108 | R100-A104 PolarHBondContact O-N 3.45Å; F101-A104 PolarHBondContact O-N 3.36Å; A104-A107 PolarHBondContact O-N 2.84Å; A104-A108 WeakPolarHBondContact O-CB 3.46Å; A104-A108 PolarHBondContact O-N 3.47Å |
| 105 | R | 98.1 | Very high | 97.5 | Very high | 145 Ų | 145 | 106.7 Ų | 106.7 | 55% | 0.547 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.2 | -44.3 | 176.8 | -168 | -176.7 | 85.7 | 172.1 | 7 | 111.7 | F101 L102 Q103 A108 C109 | F101-R105 WeakPolarHBondContact O-CB 3.31Å; F101-R105 PolarHBondContact O-N 3.39Å; L102-R105 PolarHBondContact O-N 3.36Å; Q103-R105 VanDerWaalsContact C-N 3.35Å; Q103-R105 PolarHBondContact O-N 3.06Å; R105-A108 PolarHBondContact O-N 3.04Å; R105-C109 WeakPolarHBondContact O-CB 3.21Å; R105-C109 PolarHBondContact O-N 2.89Å |
| 106 | Q | 98.1 | Very high | 97.2 | Very high | 132 Ų | 132 | 108.2 Ų | 108.2 | 62% | 0.617 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63 | -45.7 | 178.2 | -175.1 | 170.1 | 9.1 | 0 | 0 | 111.1 | L102 Q103 A108 C109 I110 | L102-Q106 WeakPolarHBondContact O-CB 3.35Å; L102-Q106 PolarHBondContact O-N 3.11Å; Q103-Q106 PolarHBondContact O-N 2.84Å; Q106-A108 PolarHBondContact O-N 3.39Å; Q106-C109 PolarHBondContact O-N 3.33Å; Q106-I110 HydrophobicContact CG-CD1 4.16Å; Q106-I110 WeakPolarHBondContact O-CG1 3.34Å; Q106-I110 PolarHBondContact O-N 3.36Å |
| 107 | A | 97.8 | Very high | 96.9 | Very high | 50 Ų | 50 | 112.3 Ų | 112.3 | 41% | 0.413 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59 | -46.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q103 A104 C109 I110 I111 | Q103-A107 PolarHBondContact O-N 2.98Å; A104-A107 PolarHBondContact O-N 2.84Å; A107-C109 PolarHBondContact O-N 3.45Å; A107-I110 PolarHBondContact O-N 3.46Å; A107-I111 WeakPolarHBondContact O-CG1 3.4Å; A107-I111 PolarHBondContact O-N 2.98Å |
| 108 | A | 98 | Very high | 96.4 | Very high | 43 Ų | 43 | 114.5 Ų | 114.5 | 36% | 0.355 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.9 | -44.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A104 R105 Q106 I110 I111 Q112 | A104-A108 WeakPolarHBondContact O-CB 3.46Å; A104-A108 PolarHBondContact O-N 3.47Å; R105-A108 PolarHBondContact O-N 3.04Å; Q106-A108 PolarHBondContact O-N 3.39Å; A108-I110 PolarHBondContact O-N 3.34Å; A108-I111 PolarHBondContact O-N 3.48Å; A108-Q112 WeakPolarHBondContact O-CB 3.47Å; A108-Q112 WeakPolarHBondContact O-CG 3.5Å; A108-Q112 PolarHBondContact O-N 3.32Å |
| 109 | C | 97.8 | Very high | 95.8 | Very high | 66 Ų | 66 | 107.6 Ų | 107.6 | 45% | 0.446 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.8 | -43.6 | 176.6 | -82.2 | 0 | 0 | 0 | 0 | 112.2 | R105 Q106 A107 Q112 S113 | R105-C109 WeakPolarHBondContact O-CB 3.21Å; R105-C109 PolarHBondContact O-N 2.89Å; Q106-C109 PolarHBondContact O-N 3.33Å; A107-C109 PolarHBondContact O-N 3.45Å; C109-Q112 PolarHBondContact O-N 2.86Å; C109-S113 WeakPolarHBondContact O-CB 3.38Å; C109-S113 PolarHBondContact O-N 3.07Å; C109-S113 PolarHBondContact O-OG 3.48Å; C109-S113 VanDerWaalsContact O-OG 3.11Å |
| 110 | I | 97.3 | Very high | 95 | Very high | 102 Ų | 102 | 104.9 Ų | 104.9 | 52% | 0.523 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.5 | -46.7 | 178.4 | -68 | 165.4 | 0 | 0 | 0 | 110.6 | Q106 A107 A108 Q112 S113 H114 | Q106-I110 HydrophobicContact CG-CD1 4.16Å; Q106-I110 WeakPolarHBondContact O-CG1 3.34Å; Q106-I110 PolarHBondContact O-N 3.36Å; A107-I110 PolarHBondContact O-N 3.46Å; A108-I110 PolarHBondContact O-N 3.34Å; I110-Q112 PolarHBondContact O-N 3.34Å; I110-S113 WeakPolarHBondContact CA-OG 3.42Å; I110-S113 PolarHBondContact O-N 3.3Å; I110-S113 PolarHBondContact O-OG 2.9Å; I110-H114 WeakPolarHBondContact O-CB 3.35Å; I110-H114 PolarHBondContact O-N 3.39Å |
| 111 | I | 96.6 | Very high | 93.9 | Very high | 119 Ų | 119 | 103 Ų | 103 | 61% | 0.61 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.6 | -46.9 | 177.8 | -66 | 166.4 | 0 | 0 | 0 | 110.1 | A107 A108 S113 H114 W115 | A107-I111 WeakPolarHBondContact O-CG1 3.4Å; A107-I111 PolarHBondContact O-N 2.98Å; A108-I111 PolarHBondContact O-N 3.48Å; I111-S113 PolarHBondContact O-N 3.06Å; I111-H114 PolarHBondContact O-N 2.68Å; I111-W115 WeakPolarHBondContact O-CB 3.49Å; I111-W115 PolarHBondContact O-N 3.39Å |
| 112 | Q | 96.6 | Very high | 92.4 | Very high | 115 Ų | 115 | 101.5 Ų | 101.5 | 54% | 0.537 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.4 | -41.6 | 179.5 | -74.4 | 174.1 | -18.6 | 0 | 0 | 112.1 | A108 C109 I110 R116 | A108-Q112 WeakPolarHBondContact O-CB 3.47Å; A108-Q112 WeakPolarHBondContact O-CG 3.5Å; A108-Q112 PolarHBondContact O-N 3.32Å; C109-Q112 PolarHBondContact O-N 2.86Å; I110-Q112 PolarHBondContact O-N 3.34Å; Q112-R116 WeakPolarHBondContact O-CB 3.37Å; Q112-R116 VanDerWaalsContact O-CG 3.24Å; Q112-R116 WeakPolarHBondContact O-CG 3.26Å; Q112-R116 PolarHBondContact O-N 3.37Å |
| 113 | S | 95.6 | Very high | 90.7 | Very high | 70 Ų | 70 | 107.8 Ų | 107.8 | 49% | 0.49 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66 | -43 | 177.3 | 55.7 | 0 | 0 | 0 | 0 | 111.6 | C109 I110 I111 R116 W117 | C109-S113 WeakPolarHBondContact O-CB 3.38Å; C109-S113 PolarHBondContact O-N 3.07Å; C109-S113 PolarHBondContact O-OG 3.48Å; C109-S113 VanDerWaalsContact O-OG 3.11Å; I110-S113 WeakPolarHBondContact CA-OG 3.42Å; I110-S113 PolarHBondContact O-N 3.3Å; I110-S113 PolarHBondContact O-OG 2.9Å; I111-S113 PolarHBondContact O-N 3.06Å; S113-R116 PolarHBondContact O-N 2.94Å; S113-W117 WeakPolarHBondContact O-CB 3.24Å; S113-W117 PolarHBondContact O-N 2.99Å |
| 114 | H | 95.2 | Very high | 88.7 | Confident | 127 Ų | 127 | 104.7 Ų | 104.7 | 59% | 0.588 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.6 | -43.9 | 178.2 | -172.6 | -82.5 | 0 | 0 | 0 | 111.3 | I110 I111 W117 H118 | I110-H114 WeakPolarHBondContact O-CB 3.35Å; I110-H114 PolarHBondContact O-N 3.39Å; I111-H114 PolarHBondContact O-N 2.68Å; H114-W117 PolarHBondContact O-N 3.39Å; H114-H118 WeakPolarHBondContact O-CB 3.39Å; H114-H118 PolarHBondContact O-N 3.5Å |
| 115 | W | 93.8 | Very high | 86.8 | Confident | 165 Ų | 165 | 109 Ų | 109 | 63% | 0.625 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.5 | -44.6 | 176.1 | 179.9 | 85.8 | 0 | 0 | 0 | 112.1 | I111 H118 A119 | I111-W115 WeakPolarHBondContact O-CB 3.49Å; I111-W115 PolarHBondContact O-N 3.39Å; W115-H118 PolarHBondContact O-N 2.98Å; W115-A119 HydrophobicContact CZ2-CB 4.44Å; W115-A119 VanDerWaalsContact O-CB 3.26Å; W115-A119 WeakPolarHBondContact O-CB 3.41Å; W115-A119 PolarHBondContact O-N 3.1Å |
| 116 | R | 92.9 | Very high | 84.8 | Confident | 178 Ų | 178 | 107.7 Ų | 107.7 | 67% | 0.672 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.6 | -44.5 | 177.3 | -76.9 | 176.2 | 177.6 | -125.6 | 0 | 111.8 | Q112 S113 A119 S120 | Q112-R116 WeakPolarHBondContact O-CB 3.37Å; Q112-R116 VanDerWaalsContact O-CG 3.24Å; Q112-R116 WeakPolarHBondContact O-CG 3.26Å; Q112-R116 PolarHBondContact O-N 3.37Å; S113-R116 PolarHBondContact O-N 2.94Å; R116-A119 PolarHBondContact O-N 3.42Å; R116-S120 WeakPolarHBondContact O-CB 3.25Å; R116-S120 PolarHBondContact O-N 3.5Å; R116-S120 PolarHBondContact O-OG 2.87Å |
| 117 | W | 91.4 | Very high | 82.7 | Confident | 164 Ų | 164 | 110.6 Ų | 110.6 | 62% | 0.621 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -57.8 | -54.7 | 174.2 | 172.2 | -94.2 | 0 | 0 | 0 | 111 | S113 H114 A119 S120 Q121 | S113-W117 WeakPolarHBondContact O-CB 3.24Å; S113-W117 PolarHBondContact O-N 2.99Å; H114-W117 PolarHBondContact O-N 3.39Å; W117-A119 PolarHBondContact O-N 2.93Å; W117-S120 PolarHBondContact O-N 2.83Å; W117-S120 VanDerWaalsContact O-N 3.1Å; W117-S120 PolarHBondContact O-OG 2.96Å; W117-Q121 VanDerWaalsContact NE1-OE1 3.12Å; W117-Q121 PolarHBondContact O-N 3.37Å |
| 118 | H | 87.8 | Confident | 80.7 | Confident | 104 Ų | 104 | 109 Ų | 109 | 48% | 0.481 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -57.4 | -47.1 | 179.3 | -176.8 | -79.1 | 0 | 0 | 0 | 111.8 | H114 W115 S120 Q121 T122 | H114-H118 WeakPolarHBondContact O-CB 3.39Å; H114-H118 PolarHBondContact O-N 3.5Å; W115-H118 PolarHBondContact O-N 2.98Å; H118-S120 VanDerWaalsContact C-N 3.29Å; H118-S120 PolarHBondContact O-N 2.92Å; H118-Q121 PolarHBondContact O-N 3.5Å; H118-Q121 VanDerWaalsContact O-N 3.08Å; H118-T122 PolarHBondContact CE1-OG1 3.08Å; H118-T122 VanDerWaalsContact CE1-OG1 3.29Å; H118-T122 PolarHBondContact ND1-OG1 2.89Å; H118-T122 PolarHBondContact O-N 2.95Å; H118-T122 PolarHBondContact O-OG1 3.3Å |
| 119 | A | 84.9 | Confident | 78.6 | Confident | 21 Ų | 21 | 114.9 Ų | 114.9 | 17% | 0.174 | 56% | 0.556 | C | S | . | * | H | α-helix | trans | -63 | -32.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | W115 R116 W117 R123 | W115-A119 HydrophobicContact CZ2-CB 4.44Å; W115-A119 VanDerWaalsContact O-CB 3.26Å; W115-A119 WeakPolarHBondContact O-CB 3.41Å; W115-A119 PolarHBondContact O-N 3.1Å; R116-A119 PolarHBondContact O-N 3.42Å; W117-A119 PolarHBondContact O-N 2.93Å; A119-R123 VanDerWaalsContact O-CG 3.25Å; A119-R123 WeakPolarHBondContact O-CG 3.36Å; A119-R123 PolarHBondContact O-N 3.33Å |
| 120 | S | 80.9 | Confident | 76.5 | Confident | 73 Ų | 73 | 119 Ų | 119 | 51% | 0.51 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -72.3 | -33.2 | 172.6 | 69.8 | 0 | 0 | 0 | 0 | 112.7 | R116 W117 H118 | R116-S120 WeakPolarHBondContact O-CB 3.25Å; R116-S120 PolarHBondContact O-N 3.5Å; R116-S120 PolarHBondContact O-OG 2.87Å; W117-S120 PolarHBondContact O-N 2.83Å; W117-S120 VanDerWaalsContact O-N 3.1Å; W117-S120 PolarHBondContact O-OG 2.96Å; H118-S120 VanDerWaalsContact C-N 3.29Å; H118-S120 PolarHBondContact O-N 2.92Å |
| 121 | Q | 76.8 | Confident | 74.4 | Confident | 127 Ų | 127 | 119.9 Ų | 119.9 | 59% | 0.593 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -75.2 | -37.7 | 178.6 | -163.9 | 166.6 | 20.4 | 0 | 0 | 112.2 | W117 H118 R123 | W117-Q121 VanDerWaalsContact NE1-OE1 3.12Å; W117-Q121 PolarHBondContact O-N 3.37Å; H118-Q121 PolarHBondContact O-N 3.5Å; H118-Q121 VanDerWaalsContact O-N 3.08Å; Q121-R123 VanDerWaalsContact C-N 3.33Å |
| 122 | T | 66.4 | Low | 72.4 | Confident | 100 Ų | 100 | 119.7 Ų | 119.7 | 61% | 0.613 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -72.1 | -25.6 | 175.5 | -45.1 | 0 | 0 | 0 | 0 | 112.7 | H118 G124 | H118-T122 PolarHBondContact CE1-OG1 3.08Å; H118-T122 VanDerWaalsContact CE1-OG1 3.29Å; H118-T122 PolarHBondContact ND1-OG1 2.89Å; H118-T122 PolarHBondContact O-N 2.95Å; H118-T122 PolarHBondContact O-OG1 3.3Å; T122-G124 PolarHBondContact O-N 3.29Å |
| 123 | R | 62.3 | Low | 70.5 | Confident | 199 Ų | 199 | 122.5 Ų | 122.5 | 75% | 0.751 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -79.6 | 55.1 | 168.1 | -68.3 | 174.5 | -162.5 | -123.2 | 2.5 | 109.8 | A119 Q121 L125 | A119-R123 VanDerWaalsContact O-CG 3.25Å; A119-R123 WeakPolarHBondContact O-CG 3.36Å; A119-R123 PolarHBondContact O-N 3.33Å; Q121-R123 VanDerWaalsContact C-N 3.33Å; R123-L125 PolarHBondContact O-N 2.98Å |
| 124 | G | 56.3 | Low | 68.8 | Low | 36 Ų | 36 | 124.7 Ų | 124.7 | 37% | 0.371 | 60% | 0.597 | S | S | . | * | trans | -39.4 | 140.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111 | T122 I126 | T122-G124 PolarHBondContact O-N 3.29Å; G124-I126 VanDerWaalsContact C-N 3.31Å; G124-I126 VanDerWaalsContact O-CG1 3.32Å; G124-I126 WeakPolarHBondContact O-CG1 3.37Å; G124-I126 PolarHBondContact O-N 3.47Å | ||
| 125 | L | 58.5 | Low | 67.3 | Low | 152 Ų | 152 | 124.3 Ų | 124.3 | 80% | 0.796 | 61% | 0.609 | S | S | * | * | trans | -48.6 | 89 | -173.9 | -176.9 | 72.6 | 0 | 0 | 0 | 111.3 | R123 R127 | R123-L125 PolarHBondContact O-N 2.98Å; L125-R127 VanDerWaalsContact C-N 3.33Å; L125-R127 PolarHBondContact O-N 3.4Å | ||
| 126 | I | 55.4 | Low | 65.4 | Low | 118 Ų | 118 | 125.7 Ų | 125.7 | 61% | 0.605 | 61% | 0.614 | S | S | * | * | trans | -75.1 | 94.1 | 173.7 | -55.7 | -177.5 | 0 | 0 | 0 | 105.8 | G124 G128 I141 | G124-I126 VanDerWaalsContact C-N 3.31Å; G124-I126 VanDerWaalsContact O-CG1 3.32Å; G124-I126 WeakPolarHBondContact O-CG1 3.37Å; G124-I126 PolarHBondContact O-N 3.47Å; I126-G128 PolarHBondContact O-N 2.69Å; I126-I141 HydrophobicContact CG2-CG2 4.16Å | ||
| 127 | R | 53.8 | Low | 63.8 | Low | 194 Ų | 194 | 122.6 Ų | 122.6 | 73% | 0.732 | 61% | 0.61 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -92.2 | 92.8 | 172.1 | -150 | 178.3 | -162.6 | -168 | 3.3 | 107.2 | L125 | L125-R127 VanDerWaalsContact C-N 3.33Å; L125-R127 PolarHBondContact O-N 3.4Å |
| 128 | G | 56.4 | Low | 62.1 | Low | 16 Ų | 16 | 121.6 Ų | 121.6 | 17% | 0.165 | 61% | 0.612 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.7 | 129.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | I126 Y130 | I126-G128 PolarHBondContact O-N 2.69Å; G128-Y130 WeakPolarHBondContact O-CE2 3.32Å |
| 129 | H | 53.1 | Low | 60.8 | Low | 166 Ų | 166 | 120.8 Ų | 120.8 | 77% | 0.769 | 61% | 0.611 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.6 | 126 | 160.1 | -92.4 | -90.4 | 0 | 0 | 0 | 107.7 | ||
| 130 | Y | 54.8 | Low | 59.5 | Low | 154 Ų | 154 | 126.1 Ų | 126.1 | 60% | 0.604 | 64% | 0.637 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -116.8 | 118.4 | 177.5 | -30.9 | -81.3 | 0 | 0 | 0 | 108.2 | G128 L139 | G128-Y130 WeakPolarHBondContact O-CE2 3.32Å; Y130-L139 HydrophobicContact CD1-CD2 3.73Å; Y130-L139 HydrophobicContact CD1-CG 4.28Å; Y130-L139 HydrophobicContact CE1-CD2 3.93Å |
| 131 | E | 53.7 | Low | 58.7 | Low | 120 Ų | 120 | 127.5 Ų | 127.5 | 56% | 0.561 | 64% | 0.637 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -112.4 | 112 | 171.2 | -162.3 | -177.5 | 147.8 | 0 | 0 | 108.6 | R133 | E131-R133 PolarHBondContact O-N 3.34Å; E131-R133 IonicContact OE1-CZ 3.41Å; E131-R133 IonicContact OE1-NE 2.97Å; E131-R133 PolarHBondContact OE1-NE 2.97Å; E131-R133 IonicContact OE1-NH2 2.93Å; E131-R133 PolarHBondContact OE1-NH2 3.44Å |
| 132 | V | 54.7 | Low | 57.7 | Low | 114 Ų | 114 | 128.5 Ų | 128.5 | 69% | 0.691 | 64% | 0.642 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.5 | 106.2 | 179.9 | -175.9 | 0 | 0 | 0 | 0 | 108.8 | L137 | V132-L137 HydrophobicContact CB-CD1 4.43Å; V132-L137 HydrophobicContact CG1-CD1 4.28Å; V132-L137 HydrophobicContact CG2-CD1 3.83Å |
| 133 | R | 56.2 | Low | 57.4 | Low | 174 Ų | 174 | 130 Ų | 130 | 66% | 0.657 | 65% | 0.645 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -99.8 | 142.5 | 168.2 | -74.3 | -174.1 | -176.9 | -163 | 3.4 | 110.7 | E131 S135 R136 | E131-R133 PolarHBondContact O-N 3.34Å; E131-R133 IonicContact OE1-CZ 3.41Å; E131-R133 IonicContact OE1-NE 2.97Å; E131-R133 PolarHBondContact OE1-NE 2.97Å; E131-R133 IonicContact OE1-NH2 2.93Å; E131-R133 PolarHBondContact OE1-NH2 3.44Å; R133-S135 PolarHBondContact O-N 2.77Å; R133-R136 PolarHBondContact O-N 2.93Å; R133-R136 VanDerWaalsContact O-N 3.13Å; R133-R136 VanDerWaalsContact O-O 3.07Å |
| 134 | A | 60 | Low | 56.9 | Low | 116 Ų | 116 | 127 Ų | 127 | 96% | 0.959 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | -4.2 | -163.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 135 | S | 62.7 | Low | 56.5 | Low | 120 Ų | 120 | 133.4 Ų | 133.4 | 84% | 0.839 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.5 | -3.3 | 179.4 | 50.8 | 0 | 0 | 0 | 0 | 115.2 | R133 | R133-S135 PolarHBondContact O-N 2.77Š|
| 136 | R | 54.8 | Low | 56 | Low | 194 Ų | 194 | 135.7 Ų | 135.7 | 73% | 0.732 | 69% | 0.686 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -158.3 | 134.4 | 174.8 | -107 | 177.1 | -178.8 | -165.2 | -0.9 | 110.9 | R133 | R133-R136 PolarHBondContact O-N 2.93Å; R133-R136 VanDerWaalsContact O-N 3.13Å; R133-R136 VanDerWaalsContact O-O 3.07Å |
| 137 | L | 58.6 | Low | 56.1 | Low | 112 Ų | 112 | 136.6 Ų | 136.6 | 59% | 0.586 | 69% | 0.69 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -92.8 | 111.6 | 172.6 | -165.8 | 84.4 | 0 | 0 | 0 | 108.1 | V132 L139 | V132-L137 HydrophobicContact CB-CD1 4.43Å; V132-L137 HydrophobicContact CG1-CD1 4.28Å; V132-L137 HydrophobicContact CG2-CD1 3.83Å; L137-L139 HydrophobicContact CD2-CD1 3.52Å; L137-L139 HydrophobicContact CG-CD1 4.18Å |
| 138 | E | 56.4 | Low | 56.2 | Low | 144 Ų | 144 | 133.5 Ų | 133.5 | 67% | 0.673 | 69% | 0.688 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -100.1 | 129.4 | 171 | -70 | -177.6 | 174.9 | 0 | 0 | 108.5 | ||
| 139 | L | 60.2 | Low | 56.2 | Low | 86 Ų | 86 | 140.1 Ų | 140.1 | 45% | 0.45 | 72% | 0.717 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -131 | 101.4 | -170.7 | -120.2 | 148.2 | 0 | 0 | 0 | 108.3 | Y130 L137 I141 | Y130-L139 HydrophobicContact CD1-CD2 3.73Å; Y130-L139 HydrophobicContact CD1-CG 4.28Å; Y130-L139 HydrophobicContact CE1-CD2 3.93Å; L137-L139 HydrophobicContact CD2-CD1 3.52Å; L137-L139 HydrophobicContact CG-CD1 4.18Å; L139-I141 HydrophobicContact CD2-CD1 4.14Å; L139-I141 HydrophobicContact CD2-CG1 3.99Å |
| 140 | D | 58 | Low | 56.3 | Low | 134 Ų | 134 | 138.5 Ų | 138.5 | 72% | 0.717 | 71% | 0.714 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.3 | 119.5 | 172.4 | -78.6 | -23.7 | 0 | 0 | 0 | 109.4 | ||
| 141 | I | 64.5 | Low | 56.4 | Low | 102 Ų | 102 | 137.6 Ų | 137.6 | 52% | 0.523 | 72% | 0.72 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116 | 109.4 | 179 | -55.4 | 177.8 | 0 | 0 | 0 | 108.3 | I126 L139 I143 | I126-I141 HydrophobicContact CG2-CG2 4.16Å; L139-I141 HydrophobicContact CD2-CD1 4.14Å; L139-I141 HydrophobicContact CD2-CG1 3.99Å; I141-I143 HydrophobicContact CG2-CG1 3.94Å |
| 142 | E | 55.9 | Low | 56.6 | Low | 147 Ų | 147 | 138.7 Ų | 138.7 | 69% | 0.687 | 73% | 0.731 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -86.7 | 113.9 | 168.9 | -69.1 | -177.6 | 178.9 | 0 | 0 | 109.6 | ||
| 143 | I | 58.5 | Low | 56.8 | Low | 132 Ų | 132 | 140.5 Ų | 140.5 | 68% | 0.677 | 73% | 0.734 | S | S | * | * | trans | -99.3 | 98.6 | 174.8 | -52.7 | 178.1 | 0 | 0 | 0 | 108 | I141 M145 | I141-I143 HydrophobicContact CG2-CG1 3.94Å; I143-M145 HydrophobicContact CG2-CG 4.04Å; I143-M145 HydrophobicContact CG2-SD 4.3Å; I143-M145 PolarHBondContact O-N 3.13Å | ||
| 144 | L | 53.2 | Low | 56.8 | Low | 137 Ų | 137 | 137.9 Ų | 137.9 | 72% | 0.717 | 74% | 0.74 | S | S | * | * | trans | -83.7 | 102.5 | 171.4 | -122.7 | 120.2 | 0 | 0 | 0 | 109.2 | ||||
| 145 | M | 47.1 | Very low | 56.5 | Low | 170 Ų | 170 | 139.8 Ų | 139.8 | 84% | 0.837 | 72% | 0.722 | S | S | * | * | trans | -89 | 111 | 169.9 | -65.3 | -79 | -71.5 | 0 | 0 | 107.9 | I143 | I143-M145 HydrophobicContact CG2-CG 4.04Å; I143-M145 HydrophobicContact CG2-SD 4.3Å; I143-M145 PolarHBondContact O-N 3.13Å | ||
| 146 | T | 48.7 | Very low | 56 | Low | 199 Ų | 199 | 141.5 Ų | 141.5 | 100% | 1.221 | 71% | 0.711 | S | S | * | * | trans | -93.1 | 0 | 164.8 | 52.4 | 0 | 0 | 0 | 0 | 110.5 |
Retrieved 146 of 146 residues in 66.8 ms
(Link to these results)