| 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 | 47.7 | Very low | 60.3 | Low | 216 Ų | 216 | 128.3 Ų | 128.3 | 100% | 1.064 | 77% | 0.773 | S | S | * | * | 0 | 104.7 | 0 | -70.6 | -61.2 | 159 | 0 | 0 | 107.8 | |||||
| 2 | P | 61.9 | Low | 59.8 | Low | 131 Ų | 131 | 132.4 Ų | 132.4 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | trans | -83.4 | 120.4 | 176.9 | 31.9 | -27 | 0 | 0 | 0 | 109.5 | ||||
| 3 | H | 57.3 | Low | 59.7 | Low | 170 Ų | 170 | 130.8 Ų | 130.8 | 79% | 0.787 | 77% | 0.773 | S | S | * | * | trans | -113.5 | 101.1 | 160.6 | 35 | -99.1 | 0 | 0 | 0 | 107.3 | ||||
| 4 | S | 55.1 | Low | 59.7 | Low | 114 Ų | 114 | 137.6 Ų | 137.6 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | -78.8 | 111.6 | 169.4 | 38.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 5 | S | 70 | Confident | 59.5 | Low | 115 Ų | 115 | 135.4 Ų | 135.4 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -131 | 84.1 | 160.4 | -69.3 | 0 | 0 | 0 | 0 | 107.6 | S7 | S5-S7 VanDerWaalsContact C-N 3.34Å; S5-S7 PolarHBondContact O-N 3.09Å | ||
| 6 | D | 64.1 | Low | 59.5 | Low | 148 Ų | 148 | 131.6 Ų | 131.6 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | trans | -78.8 | 86.5 | 169.1 | -163.1 | -16.4 | 0 | 0 | 0 | 107.5 | S8 | D6-S8 VanDerWaalsContact C-N 3.32Å; D6-S8 PolarHBondContact O-N 3.31Å; D6-S8 VanDerWaalsContact O-N 3.09Å | ||
| 7 | S | 66.2 | Low | 59.3 | Low | 113 Ų | 113 | 129.3 Ų | 129.3 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | trans | -76.3 | 91.3 | 169.1 | -87.6 | 0 | 0 | 0 | 0 | 108.4 | S5 D9 | S5-S7 VanDerWaalsContact C-N 3.34Å; S5-S7 PolarHBondContact O-N 3.09Å; S7-D9 PolarHBondContact O-N 3.27Å | ||
| 8 | S | 63.8 | Low | 59.2 | Low | 102 Ų | 102 | 128.6 Ų | 128.6 | 71% | 0.713 | 75% | 0.749 | S | S | * | * | trans | -66 | 82.4 | 162 | -68 | 0 | 0 | 0 | 0 | 109.7 | D6 S10 | D6-S8 VanDerWaalsContact C-N 3.32Å; D6-S8 PolarHBondContact O-N 3.31Å; D6-S8 VanDerWaalsContact O-N 3.09Å; S8-S10 VanDerWaalsContact C-N 3.34Å; S8-S10 PolarHBondContact O-N 3.21Å | ||
| 9 | D | 59.7 | Low | 59 | Low | 129 Ų | 129 | 125.1 Ų | 125.1 | 69% | 0.69 | 74% | 0.743 | S | S | * | * | trans | -80.4 | 90.2 | 161.2 | -176 | 36.8 | 0 | 0 | 0 | 108.7 | S7 S11 | S7-D9 PolarHBondContact O-N 3.27Å; D9-S11 PolarHBondContact O-N 3.19Å; D9-S11 PolarHBondContact OD2-OG 3.13Å | ||
| 10 | S | 56.8 | Low | 59 | Low | 79 Ų | 79 | 128.4 Ų | 128.4 | 55% | 0.552 | 75% | 0.748 | S | S | * | * | trans | -68.3 | 73.9 | 162.4 | 58.8 | 0 | 0 | 0 | 0 | 108.9 | S8 F12 | S8-S10 VanDerWaalsContact C-N 3.34Å; S8-S10 PolarHBondContact O-N 3.21Å; S10-F12 WeakPolarHBondContact O-CD2 3.44Å; S10-F12 PolarHBondContact O-N 2.87Å | ||
| 11 | S | 61 | Low | 59.1 | Low | 94 Ų | 94 | 125.8 Ų | 125.8 | 66% | 0.657 | 73% | 0.729 | S | S | * | * | trans | -71.5 | 87.9 | 163.4 | -88.1 | 0 | 0 | 0 | 0 | 107.5 | D9 S13 | D9-S11 PolarHBondContact O-N 3.19Å; D9-S11 PolarHBondContact OD2-OG 3.13Å; S11-S13 PolarHBondContact O-N 3.15Å; S11-S13 VanDerWaalsContact O-N 3.17Å | ||
| 12 | F | 54.5 | Low | 59.9 | Low | 178 Ų | 178 | 119.9 Ų | 119.9 | 78% | 0.781 | 70% | 0.701 | S | S | * | * | trans | -39.6 | 121.2 | 172.8 | -73.7 | -88.9 | 0 | 0 | 0 | 109.4 | S10 R14 | S10-F12 WeakPolarHBondContact O-CD2 3.44Å; S10-F12 PolarHBondContact O-N 2.87Å; F12-R14 PolarHBondContact O-N 3.09Å | ||
| 13 | S | 58.7 | Low | 60.6 | Low | 111 Ų | 111 | 117.7 Ų | 117.7 | 78% | 0.776 | 69% | 0.689 | S | S | * | * | trans | -38.8 | 103.6 | 169.2 | -59.1 | 0 | 0 | 0 | 0 | 109 | S11 S15 | S11-S13 PolarHBondContact O-N 3.15Å; S11-S13 VanDerWaalsContact O-N 3.17Å; S13-S15 PolarHBondContact O-N 3.2Å | ||
| 14 | R | 58.5 | Low | 62 | Low | 227 Ų | 227 | 112.1 Ų | 112.1 | 86% | 0.857 | 67% | 0.669 | S | S | * | * | trans | -70.1 | 84.3 | 172.2 | -161.2 | 172.3 | -166.8 | -98.1 | 2.9 | 105.3 | F12 P16 | F12-R14 PolarHBondContact O-N 3.09Å; R14-P16 WeakPolarHBondContact O-CD 3.49Å | ||
| 15 | S | 56.7 | Low | 63.6 | Low | 104 Ų | 104 | 109.2 Ų | 109.2 | 73% | 0.727 | 65% | 0.645 | S | S | * | * | trans | -51 | 109.8 | 171.2 | -65.8 | 0 | 0 | 0 | 0 | 106.4 | S13 | S13-S15 PolarHBondContact O-N 3.2Š| ||
| 16 | P | 60 | Low | 64.7 | Low | 74 Ų | 74 | 107.3 Ų | 107.3 | 48% | 0.481 | 63% | 0.626 | S | S | . | * | trans | -73.2 | 148.3 | -171.1 | 34.2 | -36.2 | 0 | 0 | 0 | 108.4 | R14 | R14-P16 WeakPolarHBondContact O-CD 3.49Š| ||
| 17 | P | 55.5 | Low | 66.1 | Low | 93 Ų | 93 | 104.3 Ų | 104.3 | 60% | 0.604 | 61% | 0.612 | S | S | * | * | trans | -64.2 | 129 | -164.5 | 21.7 | -31.9 | 0 | 0 | 0 | 112.5 | G19 Q21 | P17-G19 PolarHBondContact O-N 3.2Å; P17-Q21 PolarHBondContact O-OE1 3.23Å | ||
| 18 | P | 58.9 | Low | 67.5 | Low | 116 Ų | 116 | 105.3 Ų | 105.3 | 75% | 0.753 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | 32.8 | -165.4 | 33.2 | -38.6 | 0 | 0 | 0 | 115.4 | ||
| 19 | G | 55.5 | Low | 69 | Low | 63 Ų | 63 | 105.8 Ų | 105.8 | 65% | 0.649 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.9 | -25.2 | -170.6 | 0 | 0 | 0 | 0 | 0 | 117 | P17 | P17-G19 PolarHBondContact O-N 3.2Š|
| 20 | K | 57.4 | Low | 70.7 | Confident | 190 Ų | 190 | 104.2 Ų | 104.2 | 83% | 0.826 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.4 | -12.7 | -177.6 | -66.2 | -174.9 | -179.7 | -177.4 | 0 | 113.6 | ||
| 21 | Q | 61.2 | Low | 72.6 | Confident | 75 Ų | 75 | 105.4 Ų | 105.4 | 35% | 0.35 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -79.3 | -32 | 177.5 | -72.1 | 176.9 | -83.1 | 0 | 0 | 112.3 | P17 S23 S24 D25 | P17-Q21 PolarHBondContact O-OE1 3.23Å; Q21-S23 VanDerWaalsContact C-N 3.31Å; Q21-S23 PolarHBondContact O-N 3.36Å; Q21-S24 PolarHBondContact O-N 3.25Å; Q21-D25 WeakPolarHBondContact O-CB 3.31Å; Q21-D25 PolarHBondContact O-N 3.31Å |
| 22 | D | 66.3 | Low | 74.3 | Confident | 92 Ų | 92 | 108.7 Ų | 108.7 | 49% | 0.492 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -53.6 | -43.9 | -175.9 | -67 | -17.1 | 0 | 0 | 0 | 113 | S24 D25 D26 | D22-S24 PolarHBondContact O-N 2.86Å; D22-D25 PolarHBondContact O-N 2.95Å; D22-D26 WeakPolarHBondContact O-CB 3.37Å; D22-D26 VanDerWaalsContact O-CG 3.28Å; D22-D26 PolarHBondContact O-N 3.04Å |
| 23 | S | 76.7 | Confident | 76.4 | Confident | 85 Ų | 85 | 107.8 Ų | 107.8 | 59% | 0.594 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.5 | -40.9 | 179.4 | 69 | 0 | 0 | 0 | 0 | 112.9 | Q21 V27 | Q21-S23 VanDerWaalsContact C-N 3.31Å; Q21-S23 PolarHBondContact O-N 3.36Å; S23-V27 WeakPolarHBondContact O-CG2 3.45Å; S23-V27 PolarHBondContact O-N 3.39Å; S23-V27 VanDerWaalsContact O-N 3.16Å |
| 24 | S | 85.2 | Confident | 78.2 | Confident | 52 Ų | 52 | 106.5 Ų | 106.5 | 36% | 0.364 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.9 | -39.9 | 176.3 | -170.4 | 0 | 0 | 0 | 0 | 111.2 | Q21 D22 V27 R28 | Q21-S24 PolarHBondContact O-N 3.25Å; D22-S24 PolarHBondContact O-N 2.86Å; S24-V27 PolarHBondContact O-N 2.9Å; S24-R28 VanDerWaalsContact O-CG 3.31Å; S24-R28 WeakPolarHBondContact O-CG 3.45Å; S24-R28 PolarHBondContact O-N 3.1Å |
| 25 | D | 90.1 | Very high | 80.1 | Confident | 54 Ų | 54 | 102.7 Ų | 102.7 | 29% | 0.289 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -70.8 | -32.5 | 179.8 | -70.4 | -27.3 | 0 | 0 | 0 | 112.1 | Q21 D22 R28 R29 | Q21-D25 WeakPolarHBondContact O-CB 3.31Å; Q21-D25 PolarHBondContact O-N 3.31Å; D22-D25 PolarHBondContact O-N 2.95Å; D25-R28 PolarHBondContact O-N 3.15Å; D25-R28 IonicContact OD1-CZ 3.98Å; D25-R28 IonicContact OD1-NH1 3.75Å; D25-R28 PolarHBondContact OD1-NH1 3.18Å; D25-R29 VanDerWaalsContact O-CB 3.24Å; D25-R29 WeakPolarHBondContact O-CB 3.43Å; D25-R29 PolarHBondContact O-N 3.48Å |
| 26 | D | 92.5 | Very high | 82.1 | Confident | 75 Ų | 75 | 103.1 Ų | 103.1 | 40% | 0.401 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.7 | -45.7 | 171 | -79.5 | -28 | 0 | 0 | 0 | 112.1 | D22 R28 R29 V30 | D22-D26 WeakPolarHBondContact O-CB 3.37Å; D22-D26 VanDerWaalsContact O-CG 3.28Å; D22-D26 PolarHBondContact O-N 3.04Å; D26-R28 VanDerWaalsContact C-N 3.33Å; D26-R28 PolarHBondContact O-N 3.07Å; D26-R29 WeakPolarHBondContact O-CB 3.47Å; D26-R29 PolarHBondContact O-N 2.92Å; D26-R29 VanDerWaalsContact O-N 3.14Å; D26-R29 IonicContact OD1-CZ 3.08Å; D26-R29 IonicContact OD1-NH1 3.23Å; D26-R29 PolarHBondContact OD1-NH1 3.24Å; D26-V30 WeakPolarHBondContact O-CG2 3.41Å; D26-V30 PolarHBondContact O-N 2.95Å |
| 27 | V | 94.1 | Very high | 83.9 | Confident | 84 Ų | 84 | 106.6 Ų | 106.6 | 51% | 0.509 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.1 | -46 | 174.4 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | S23 S24 R29 V30 Q31 | S23-V27 WeakPolarHBondContact O-CG2 3.45Å; S23-V27 PolarHBondContact O-N 3.39Å; S23-V27 VanDerWaalsContact O-N 3.16Å; S24-V27 PolarHBondContact O-N 2.9Å; V27-R29 VanDerWaalsContact C-N 3.32Å; V27-R29 PolarHBondContact O-N 2.91Å; V27-V30 PolarHBondContact O-N 3.49Å; V27-Q31 WeakPolarHBondContact O-CG 3.36Å; V27-Q31 PolarHBondContact O-N 2.73Å |
| 28 | R | 94.5 | Very high | 85.9 | Confident | 135 Ų | 135 | 106.5 Ų | 106.5 | 51% | 0.509 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.8 | -38.1 | 175.9 | -71.4 | 170.1 | -179.6 | 157.3 | -1.7 | 112.2 | S24 D25 D26 R32 | S24-R28 VanDerWaalsContact O-CG 3.31Å; S24-R28 WeakPolarHBondContact O-CG 3.45Å; S24-R28 PolarHBondContact O-N 3.1Å; D25-R28 PolarHBondContact O-N 3.15Å; D25-R28 IonicContact OD1-CZ 3.98Å; D25-R28 IonicContact OD1-NH1 3.75Å; D25-R28 PolarHBondContact OD1-NH1 3.18Å; D26-R28 VanDerWaalsContact C-N 3.33Å; D26-R28 PolarHBondContact O-N 3.07Å; R28-R32 WeakPolarHBondContact O-CB 3.43Å; R28-R32 WeakPolarHBondContact O-CG 3.26Å; R28-R32 PolarHBondContact O-N 2.92Å |
| 29 | R | 94.8 | Very high | 87.8 | Confident | 112 Ų | 112 | 103.5 Ų | 103.5 | 42% | 0.423 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.8 | -45.2 | 176.9 | -176.4 | -175.2 | -66.2 | 153.7 | -6.6 | 111 | D25 D26 V27 R32 R33 | D25-R29 VanDerWaalsContact O-CB 3.24Å; D25-R29 WeakPolarHBondContact O-CB 3.43Å; D25-R29 PolarHBondContact O-N 3.48Å; D26-R29 WeakPolarHBondContact O-CB 3.47Å; D26-R29 PolarHBondContact O-N 2.92Å; D26-R29 VanDerWaalsContact O-N 3.14Å; D26-R29 IonicContact OD1-CZ 3.08Å; D26-R29 IonicContact OD1-NH1 3.23Å; D26-R29 PolarHBondContact OD1-NH1 3.24Å; V27-R29 VanDerWaalsContact C-N 3.32Å; V27-R29 PolarHBondContact O-N 2.91Å; R29-R32 PolarHBondContact O-N 3.5Å; R29-R33 WeakPolarHBondContact O-CG 3.31Å; R29-R33 PolarHBondContact O-N 2.87Å |
| 30 | V | 95.9 | Very high | 89.9 | Confident | 95 Ų | 95 | 102.2 Ų | 102.2 | 58% | 0.576 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.2 | -48.1 | 175.6 | 173.6 | 0 | 0 | 0 | 0 | 110.6 | D26 V27 R32 R33 E34 | D26-V30 WeakPolarHBondContact O-CG2 3.41Å; D26-V30 PolarHBondContact O-N 2.95Å; V27-V30 PolarHBondContact O-N 3.49Å; V30-R32 VanDerWaalsContact C-N 3.31Å; V30-R32 PolarHBondContact O-N 3.45Å; V30-R33 PolarHBondContact O-N 3.42Å; V30-E34 PolarHBondContact O-N 2.88Å |
| 31 | Q | 96.3 | Very high | 91.8 | Very high | 104 Ų | 104 | 99.4 Ų | 99.4 | 49% | 0.486 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.1 | -40.7 | 177.1 | -71.8 | 178.3 | 8.1 | 0 | 0 | 112.6 | V27 E34 K35 | V27-Q31 WeakPolarHBondContact O-CG 3.36Å; V27-Q31 PolarHBondContact O-N 2.73Å; Q31-E34 PolarHBondContact O-N 2.87Å; Q31-K35 WeakPolarHBondContact O-CB 3.36Å; Q31-K35 WeakPolarHBondContact O-CG 3.47Å; Q31-K35 PolarHBondContact O-N 3.07Å |
| 32 | R | 97.3 | Very high | 93.6 | Very high | 163 Ų | 163 | 100.8 Ų | 100.8 | 62% | 0.615 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.4 | -43.6 | 175.6 | -77.9 | -174.3 | -67.1 | 176.4 | -2.3 | 112.3 | R28 R29 V30 E34 K35 N36 | R28-R32 WeakPolarHBondContact O-CB 3.43Å; R28-R32 WeakPolarHBondContact O-CG 3.26Å; R28-R32 PolarHBondContact O-N 2.92Å; R29-R32 PolarHBondContact O-N 3.5Å; V30-R32 VanDerWaalsContact C-N 3.31Å; V30-R32 PolarHBondContact O-N 3.45Å; R32-E34 VanDerWaalsContact C-N 3.32Å; R32-E34 PolarHBondContact O-N 2.87Å; R32-K35 PolarHBondContact O-N 3.45Å; R32-N36 WeakPolarHBondContact O-CB 3.38Å; R32-N36 PolarHBondContact O-N 3.33Å |
| 33 | R | 97.7 | Very high | 95.2 | Very high | 159 Ų | 159 | 99.9 Ų | 99.9 | 60% | 0.6 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.8 | -41.7 | 176.5 | -73 | 174.8 | 178.7 | -179.1 | -0.2 | 111.3 | R29 V30 N36 R37 | R29-R33 WeakPolarHBondContact O-CG 3.31Å; R29-R33 PolarHBondContact O-N 2.87Å; V30-R33 PolarHBondContact O-N 3.42Å; R33-N36 PolarHBondContact O-N 3.17Å; R33-R37 WeakPolarHBondContact O-CB 3.4Å; R33-R37 PolarHBondContact O-N 2.98Å |
| 34 | E | 97.7 | Very high | 96.2 | Very high | 85 Ų | 85 | 104.5 Ų | 104.5 | 40% | 0.397 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.8 | -45.9 | 177.3 | -172.6 | 54.7 | -151.5 | 0 | 0 | 112 | V30 Q31 R32 N36 R37 I38 | V30-E34 PolarHBondContact O-N 2.88Å; Q31-E34 PolarHBondContact O-N 2.87Å; R32-E34 VanDerWaalsContact C-N 3.32Å; R32-E34 PolarHBondContact O-N 2.87Å; E34-N36 VanDerWaalsContact C-N 3.32Å; E34-N36 PolarHBondContact O-N 2.94Å; E34-R37 WeakPolarHBondContact O-CB 3.39Å; E34-R37 PolarHBondContact O-N 2.84Å; E34-R37 IonicContact OE2-CZ 3.99Å; E34-R37 IonicContact OE2-NH1 3.42Å; E34-R37 PolarHBondContact OE2-NH1 3.48Å; E34-I38 HydrophobicContact CG-CD1 4.33Å; E34-I38 WeakPolarHBondContact O-CG1 3.31Å; E34-I38 PolarHBondContact O-N 3.45Å |
| 35 | K | 98.2 | Very high | 96.9 | Very high | 147 Ų | 147 | 107 Ų | 107 | 64% | 0.639 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -58.7 | -42.7 | 173.6 | -73.4 | 177.6 | -178.7 | -178.5 | 0 | 112.3 | Q31 R32 I38 A39 | Q31-K35 WeakPolarHBondContact O-CB 3.36Å; Q31-K35 WeakPolarHBondContact O-CG 3.47Å; Q31-K35 PolarHBondContact O-N 3.07Å; R32-K35 PolarHBondContact O-N 3.45Å; K35-I38 PolarHBondContact O-N 3.2Å; K35-A39 VanDerWaalsContact O-CB 3.3Å; K35-A39 WeakPolarHBondContact O-CB 3.46Å; K35-A39 PolarHBondContact O-N 3.09Å |
| 36 | N | 98 | Very high | 97.3 | Very high | 112 Ų | 112 | 111.3 Ų | 111.3 | 60% | 0.599 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.6 | -38.7 | 177.8 | -177.4 | -94.7 | 0 | 0 | 0 | 112 | R32 R33 E34 A39 A40 | R32-N36 WeakPolarHBondContact O-CB 3.38Å; R32-N36 PolarHBondContact O-N 3.33Å; R33-N36 PolarHBondContact O-N 3.17Å; E34-N36 VanDerWaalsContact C-N 3.32Å; E34-N36 PolarHBondContact O-N 2.94Å; N36-A39 PolarHBondContact O-N 3.29Å; N36-A40 VanDerWaalsContact O-CB 3.3Å; N36-A40 WeakPolarHBondContact O-CB 3.47Å; N36-A40 PolarHBondContact O-N 2.82Å |
| 37 | R | 98.3 | Very high | 97.6 | Very high | 147 Ų | 147 | 114.6 Ų | 114.6 | 56% | 0.555 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -57.2 | -50.2 | 173.7 | 179.1 | -178.1 | -72.6 | 110.1 | -1.1 | 110.9 | R33 E34 A40 Q41 | R33-R37 WeakPolarHBondContact O-CB 3.4Å; R33-R37 PolarHBondContact O-N 2.98Å; E34-R37 WeakPolarHBondContact O-CB 3.39Å; E34-R37 PolarHBondContact O-N 2.84Å; E34-R37 IonicContact OE2-CZ 3.99Å; E34-R37 IonicContact OE2-NH1 3.42Å; E34-R37 PolarHBondContact OE2-NH1 3.48Å; R37-A40 PolarHBondContact O-N 3Å; R37-Q41 WeakPolarHBondContact O-CB 3.5Å; R37-Q41 PolarHBondContact O-N 2.69Å |
| 38 | I | 98.4 | Very high | 97.8 | Very high | 91 Ų | 91 | 114.5 Ų | 114.5 | 47% | 0.467 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 176.6 | -64.2 | 167.4 | 0 | 0 | 0 | 110.7 | E34 K35 A40 Q41 K42 | E34-I38 HydrophobicContact CG-CD1 4.33Å; E34-I38 WeakPolarHBondContact O-CG1 3.31Å; E34-I38 PolarHBondContact O-N 3.45Å; K35-I38 PolarHBondContact O-N 3.2Å; I38-A40 PolarHBondContact O-N 3.34Å; I38-Q41 PolarHBondContact O-N 2.93Å; I38-K42 WeakPolarHBondContact O-CB 3.15Å; I38-K42 PolarHBondContact O-N 3.33Å |
| 39 | A | 98.5 | Very high | 98 | Very high | 54 Ų | 54 | 112.8 Ų | 112.8 | 45% | 0.446 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63 | -42.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | K35 N36 K42 S43 | K35-A39 VanDerWaalsContact O-CB 3.3Å; K35-A39 WeakPolarHBondContact O-CB 3.46Å; K35-A39 PolarHBondContact O-N 3.09Å; N36-A39 PolarHBondContact O-N 3.29Å; A39-K42 PolarHBondContact O-N 2.86Å; A39-S43 WeakPolarHBondContact O-CB 3.03Å; A39-S43 PolarHBondContact O-N 2.88Å |
| 40 | A | 98.5 | Very high | 98.2 | Very high | 36 Ų | 36 | 115.2 Ų | 115.2 | 30% | 0.298 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.3 | -43.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | N36 R37 I38 S43 R44 | N36-A40 VanDerWaalsContact O-CB 3.3Å; N36-A40 WeakPolarHBondContact O-CB 3.47Å; N36-A40 PolarHBondContact O-N 2.82Å; R37-A40 PolarHBondContact O-N 3Å; I38-A40 PolarHBondContact O-N 3.34Å; A40-S43 PolarHBondContact O-N 2.99Å; A40-R44 VanDerWaalsContact O-CG 3.32Å; A40-R44 WeakPolarHBondContact O-CG 3.26Å; A40-R44 PolarHBondContact O-N 3.08Å |
| 41 | Q | 98.6 | Very high | 98.3 | Very high | 131 Ų | 131 | 113.5 Ų | 113.5 | 61% | 0.612 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -59.6 | -47.1 | 173.3 | -177.8 | -179.7 | -5.7 | 0 | 0 | 111.2 | R37 I38 S43 R44 Q45 | R37-Q41 WeakPolarHBondContact O-CB 3.5Å; R37-Q41 PolarHBondContact O-N 2.69Å; I38-Q41 PolarHBondContact O-N 2.93Å; Q41-S43 VanDerWaalsContact C-N 3.32Å; Q41-S43 PolarHBondContact O-N 3.32Å; Q41-R44 PolarHBondContact O-N 2.88Å; Q41-Q45 WeakPolarHBondContact O-CB 2.96Å; Q41-Q45 PolarHBondContact O-N 2.8Å |
| 42 | K | 98.7 | Very high | 98.4 | Very high | 103 Ų | 103 | 112.7 Ų | 112.7 | 45% | 0.448 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.2 | -37.7 | 177.2 | -168.1 | 174.1 | -172.1 | 175.9 | 0 | 112 | I38 A39 Q45 R46 | I38-K42 WeakPolarHBondContact O-CB 3.15Å; I38-K42 PolarHBondContact O-N 3.33Å; A39-K42 PolarHBondContact O-N 2.86Å; K42-Q45 PolarHBondContact O-N 3.08Å; K42-R46 VanDerWaalsContact CE-CZ 3.5Å; K42-R46 VanDerWaalsContact CE-NH2 3.26Å; K42-R46 WeakPolarHBondContact O-CG 3.32Å; K42-R46 PolarHBondContact O-N 3.3Å |
| 43 | S | 98.7 | Very high | 98.5 | Very high | 74 Ų | 74 | 109.1 Ų | 109.1 | 52% | 0.517 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.7 | -46.9 | 175.5 | -168.5 | 0 | 0 | 0 | 0 | 111.5 | A39 A40 Q41 R46 Q47 | A39-S43 WeakPolarHBondContact O-CB 3.03Å; A39-S43 PolarHBondContact O-N 2.88Å; A40-S43 PolarHBondContact O-N 2.99Å; Q41-S43 VanDerWaalsContact C-N 3.32Å; Q41-S43 PolarHBondContact O-N 3.32Å; S43-R46 PolarHBondContact O-N 3.45Å; S43-Q47 PolarHBondContact O-N 3.24Å; S43-Q47 VanDerWaalsContact O-N 3.11Å |
| 44 | R | 98.7 | Very high | 98.5 | Very high | 182 Ų | 182 | 106.9 Ų | 106.9 | 69% | 0.687 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59.9 | -46.8 | 174.9 | -70.1 | 171 | -177.2 | -177.2 | -0.4 | 110.9 | A40 Q41 R46 Q47 T48 | A40-R44 VanDerWaalsContact O-CG 3.32Å; A40-R44 WeakPolarHBondContact O-CG 3.26Å; A40-R44 PolarHBondContact O-N 3.08Å; Q41-R44 PolarHBondContact O-N 2.88Å; R44-R46 PolarHBondContact O-N 3.01Å; R44-Q47 WeakPolarHBondContact O-CB 3.47Å; R44-Q47 PolarHBondContact O-N 2.86Å; R44-Q47 VanDerWaalsContact O-N 3.12Å; R44-T48 PolarHBondContact O-N 3.15Å; R44-T48 PolarHBondContact O-OG1 2.81Å |
| 45 | Q | 98.7 | Very high | 98.6 | Very high | 104 Ų | 104 | 108.2 Ų | 108.2 | 49% | 0.486 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -57.9 | -46 | 177.6 | -175.4 | -179.2 | 26.7 | 0 | 0 | 112.1 | Q41 K42 Q47 T48 Q49 | Q41-Q45 WeakPolarHBondContact O-CB 2.96Å; Q41-Q45 PolarHBondContact O-N 2.8Å; K42-Q45 PolarHBondContact O-N 3.08Å; Q45-Q47 VanDerWaalsContact C-N 3.28Å; Q45-Q47 PolarHBondContact O-N 2.86Å; Q45-T48 PolarHBondContact O-N 2.94Å; Q45-Q49 HydrophobicContact CG-CG 4.46Å; Q45-Q49 WeakPolarHBondContact O-CB 3.37Å; Q45-Q49 WeakPolarHBondContact O-CG 3.45Å; Q45-Q49 PolarHBondContact O-N 3.31Å |
| 46 | R | 98.7 | Very high | 98.6 | Very high | 145 Ų | 145 | 106.5 Ų | 106.5 | 55% | 0.547 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.7 | -38.9 | 176.7 | -74.9 | -176.9 | -129.9 | -107 | 18.6 | 112.4 | K42 S43 R44 K50 | K42-R46 VanDerWaalsContact CE-CZ 3.5Å; K42-R46 VanDerWaalsContact CE-NH2 3.26Å; K42-R46 WeakPolarHBondContact O-CG 3.32Å; K42-R46 PolarHBondContact O-N 3.3Å; S43-R46 PolarHBondContact O-N 3.45Å; R44-R46 PolarHBondContact O-N 3.01Å; R46-K50 WeakPolarHBondContact O-CB 3.38Å; R46-K50 PolarHBondContact O-N 2.76Å |
| 47 | Q | 98.5 | Very high | 98.6 | Very high | 144 Ų | 144 | 106.4 Ų | 106.4 | 67% | 0.673 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.6 | -44.2 | 178.7 | -171.7 | 173.4 | 21.3 | 0 | 0 | 111.3 | S43 R44 Q45 K50 A51 | S43-Q47 PolarHBondContact O-N 3.24Å; S43-Q47 VanDerWaalsContact O-N 3.11Å; R44-Q47 WeakPolarHBondContact O-CB 3.47Å; R44-Q47 PolarHBondContact O-N 2.86Å; R44-Q47 VanDerWaalsContact O-N 3.12Å; Q45-Q47 VanDerWaalsContact C-N 3.28Å; Q45-Q47 PolarHBondContact O-N 2.86Å; Q47-K50 PolarHBondContact O-N 3.49Å; Q47-A51 PolarHBondContact O-N 2.9Å |
| 48 | T | 98.6 | Very high | 98.6 | Very high | 81 Ų | 81 | 102 Ų | 102 | 50% | 0.497 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.8 | -51.1 | 173.6 | -56 | 0 | 0 | 0 | 0 | 110.8 | R44 Q45 K50 A51 D52 | R44-T48 PolarHBondContact O-N 3.15Å; R44-T48 PolarHBondContact O-OG1 2.81Å; Q45-T48 PolarHBondContact O-N 2.94Å; T48-K50 VanDerWaalsContact C-N 3.29Å; T48-K50 PolarHBondContact O-N 2.98Å; T48-A51 WeakPolarHBondContact O-CA 3.47Å; T48-A51 WeakPolarHBondContact O-CB 3.3Å; T48-A51 PolarHBondContact O-N 2.84Å; T48-D52 VanDerWaalsContact O-CG 3.23Å; T48-D52 PolarHBondContact O-N 3.02Å |
| 49 | Q | 98.8 | Very high | 98.7 | Very high | 100 Ų | 100 | 102.2 Ų | 102.2 | 47% | 0.467 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -57 | -41.2 | 177.8 | -74.9 | 176.3 | -22.4 | 0 | 0 | 112.7 | Q45 A51 D52 T53 | Q45-Q49 HydrophobicContact CG-CG 4.46Å; Q45-Q49 WeakPolarHBondContact O-CB 3.37Å; Q45-Q49 WeakPolarHBondContact O-CG 3.45Å; Q45-Q49 PolarHBondContact O-N 3.31Å; Q49-A51 VanDerWaalsContact C-N 3.34Å; Q49-A51 PolarHBondContact O-N 3.15Å; Q49-D52 PolarHBondContact O-N 3.39Å; Q49-T53 WeakPolarHBondContact O-CB 3.27Å; Q49-T53 PolarHBondContact O-N 2.96Å; Q49-T53 PolarHBondContact O-OG1 3.23Å |
| 50 | K | 98.7 | Very high | 98.7 | Very high | 163 Ų | 163 | 103.3 Ų | 103.3 | 71% | 0.709 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.5 | -41.4 | 176.2 | -177.3 | 176.8 | 179 | -179.3 | 0 | 111.8 | R46 Q47 T48 L54 | R46-K50 WeakPolarHBondContact O-CB 3.38Å; R46-K50 PolarHBondContact O-N 2.76Å; Q47-K50 PolarHBondContact O-N 3.49Å; T48-K50 VanDerWaalsContact C-N 3.29Å; T48-K50 PolarHBondContact O-N 2.98Å; K50-L54 WeakPolarHBondContact O-CB 3.42Å; K50-L54 PolarHBondContact O-N 3.41Å |
| 51 | A | 98.6 | Very high | 98.7 | Very high | 58 Ų | 58 | 106.2 Ų | 106.2 | 48% | 0.479 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.5 | -42.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q47 T48 Q49 L54 H55 | Q47-A51 PolarHBondContact O-N 2.9Å; T48-A51 WeakPolarHBondContact O-CA 3.47Å; T48-A51 WeakPolarHBondContact O-CB 3.3Å; T48-A51 PolarHBondContact O-N 2.84Å; Q49-A51 VanDerWaalsContact C-N 3.34Å; Q49-A51 PolarHBondContact O-N 3.15Å; A51-L54 PolarHBondContact O-N 3.09Å; A51-H55 WeakPolarHBondContact O-CB 3.38Å; A51-H55 PolarHBondContact O-N 3.02Å |
| 52 | D | 98.8 | Very high | 98.7 | Very high | 88 Ų | 88 | 106.1 Ų | 106.1 | 47% | 0.471 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.7 | -45.4 | 177.5 | -59.9 | -23.4 | 0 | 0 | 0 | 111.2 | T48 Q49 L54 H55 L56 | T48-D52 VanDerWaalsContact O-CG 3.23Å; T48-D52 PolarHBondContact O-N 3.02Å; Q49-D52 PolarHBondContact O-N 3.39Å; D52-L54 PolarHBondContact O-N 3.46Å; D52-H55 PolarHBondContact O-N 3.02Å; D52-L56 WeakPolarHBondContact O-CG 3.47Å; D52-L56 PolarHBondContact O-N 3.5Å |
| 53 | T | 98.5 | Very high | 98.7 | Very high | 87 Ų | 87 | 108.7 Ų | 108.7 | 53% | 0.534 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.7 | -45.8 | 175.7 | -59.9 | 0 | 0 | 0 | 0 | 111.6 | Q49 H55 L56 E57 | Q49-T53 WeakPolarHBondContact O-CB 3.27Å; Q49-T53 PolarHBondContact O-N 2.96Å; Q49-T53 PolarHBondContact O-OG1 3.23Å; T53-H55 VanDerWaalsContact C-N 3.3Å; T53-H55 PolarHBondContact O-N 2.93Å; T53-L56 PolarHBondContact O-N 3.42Å; T53-E57 WeakPolarHBondContact O-CB 3.25Å; T53-E57 PolarHBondContact O-N 3.35Å |
| 54 | L | 98.8 | Very high | 98.7 | Very high | 113 Ų | 113 | 109.6 Ų | 109.6 | 59% | 0.592 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.3 | -38.5 | 178.8 | -178.1 | 63.2 | 0 | 0 | 0 | 111.8 | K50 A51 D52 S58 | K50-L54 WeakPolarHBondContact O-CB 3.42Å; K50-L54 PolarHBondContact O-N 3.41Å; A51-L54 PolarHBondContact O-N 3.09Å; D52-L54 PolarHBondContact O-N 3.46Å; L54-S58 WeakPolarHBondContact O-CB 3.39Å; L54-S58 PolarHBondContact O-N 2.89Å |
| 55 | H | 98.6 | Very high | 98.7 | Very high | 112 Ų | 112 | 104.5 Ų | 104.5 | 52% | 0.519 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.1 | -50 | 176.2 | -171.4 | -82.1 | 0 | 0 | 0 | 111.4 | A51 D52 T53 E57 S58 E59 | A51-H55 WeakPolarHBondContact O-CB 3.38Å; A51-H55 PolarHBondContact O-N 3.02Å; D52-H55 PolarHBondContact O-N 3.02Å; T53-H55 VanDerWaalsContact C-N 3.3Å; T53-H55 PolarHBondContact O-N 2.93Å; H55-E57 VanDerWaalsContact C-N 3.31Å; H55-E57 PolarHBondContact O-N 3.23Å; H55-S58 WeakPolarHBondContact O-CB 3.33Å; H55-S58 PolarHBondContact O-N 3.38Å; H55-S58 VanDerWaalsContact O-N 3.15Å; H55-E59 IonicContact CE1-OE1 2.71Å; H55-E59 PolarHBondContact CE1-OE1 3.43Å; H55-E59 VanDerWaalsContact CE1-OE1 3.23Å; H55-E59 IonicContact CE1-OE2 2.66Å; H55-E59 PolarHBondContact CE1-OE2 2.85Å; H55-E59 VanDerWaalsContact ND1-CD 3.31Å; H55-E59 IonicContact ND1-OE1 2.92Å; H55-E59 IonicContact ND1-OE2 3.57Å; H55-E59 PolarHBondContact ND1-OE2 3.43Å; H55-E59 VanDerWaalsContact ND1-OE2 3.08Å; H55-E59 WeakPolarHBondContact O-CG 3.47Å; H55-E59 PolarHBondContact O-N 3.19Å |
| 56 | L | 98.8 | Very high | 98.7 | Very high | 112 Ų | 112 | 102.4 Ų | 102.4 | 59% | 0.586 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.1 | -41.1 | 178.8 | -69.2 | 172.2 | 0 | 0 | 0 | 112.1 | D52 T53 E59 D60 | D52-L56 WeakPolarHBondContact O-CG 3.47Å; D52-L56 PolarHBondContact O-N 3.5Å; T53-L56 PolarHBondContact O-N 3.42Å; L56-E59 PolarHBondContact O-N 2.9Å; L56-D60 WeakPolarHBondContact O-CB 3.42Å; L56-D60 PolarHBondContact O-N 3.44Å |
| 57 | E | 98.8 | Very high | 98.7 | Very high | 109 Ų | 109 | 98.3 Ų | 98.3 | 51% | 0.509 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.7 | -41 | 175.8 | -173.7 | 178 | -179 | 0 | 0 | 111.6 | T53 H55 D60 L61 | T53-E57 WeakPolarHBondContact O-CB 3.25Å; T53-E57 PolarHBondContact O-N 3.35Å; H55-E57 VanDerWaalsContact C-N 3.31Å; H55-E57 PolarHBondContact O-N 3.23Å; E57-D60 PolarHBondContact O-N 3.01Å; E57-L61 HydrophobicContact CG-CD1 4.15Å; E57-L61 WeakPolarHBondContact O-CB 3.4Å; E57-L61 VanDerWaalsContact O-CG 3.28Å; E57-L61 WeakPolarHBondContact O-CG 3.36Å; E57-L61 PolarHBondContact O-N 2.89Å |
| 58 | S | 98.7 | Very high | 98.7 | Very high | 54 Ų | 54 | 96 Ų | 96 | 38% | 0.378 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.4 | -47.6 | 175.2 | -167.1 | 0 | 0 | 0 | 0 | 111.7 | L54 H55 D60 L61 E62 | L54-S58 WeakPolarHBondContact O-CB 3.39Å; L54-S58 PolarHBondContact O-N 2.89Å; H55-S58 WeakPolarHBondContact O-CB 3.33Å; H55-S58 PolarHBondContact O-N 3.38Å; H55-S58 VanDerWaalsContact O-N 3.15Å; S58-D60 VanDerWaalsContact C-N 3.34Å; S58-D60 PolarHBondContact O-N 2.98Å; S58-L61 PolarHBondContact O-N 2.69Å; S58-E62 WeakPolarHBondContact O-CB 3.35Å; S58-E62 WeakPolarHBondContact O-CG 3.48Å; S58-E62 PolarHBondContact O-N 2.97Å |
| 59 | E | 98.8 | Very high | 98.7 | Very high | 97 Ų | 97 | 100.5 Ų | 100.5 | 45% | 0.453 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.2 | -41.4 | 178.9 | -71.1 | 179.6 | 126.8 | 0 | 0 | 112 | H55 L56 E62 K63 | H55-E59 IonicContact CE1-OE1 2.71Å; H55-E59 PolarHBondContact CE1-OE1 3.43Å; H55-E59 VanDerWaalsContact CE1-OE1 3.23Å; H55-E59 IonicContact CE1-OE2 2.66Å; H55-E59 PolarHBondContact CE1-OE2 2.85Å; H55-E59 VanDerWaalsContact ND1-CD 3.31Å; H55-E59 IonicContact ND1-OE1 2.92Å; H55-E59 IonicContact ND1-OE2 3.57Å; H55-E59 PolarHBondContact ND1-OE2 3.43Å; H55-E59 VanDerWaalsContact ND1-OE2 3.08Å; H55-E59 WeakPolarHBondContact O-CG 3.47Å; H55-E59 PolarHBondContact O-N 3.19Å; L56-E59 PolarHBondContact O-N 2.9Å; E59-E62 PolarHBondContact O-N 3.34Å; E59-K63 WeakPolarHBondContact O-CB 3.46Å; E59-K63 PolarHBondContact O-N 2.97Å |
| 60 | D | 98.8 | Very high | 98.7 | Very high | 77 Ų | 77 | 102 Ų | 102 | 41% | 0.412 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.3 | -45.5 | 177.1 | -173.5 | 61.8 | 0 | 0 | 0 | 111.6 | L56 E57 S58 E62 K63 Q64 | L56-D60 WeakPolarHBondContact O-CB 3.42Å; L56-D60 PolarHBondContact O-N 3.44Å; E57-D60 PolarHBondContact O-N 3.01Å; S58-D60 VanDerWaalsContact C-N 3.34Å; S58-D60 PolarHBondContact O-N 2.98Å; D60-E62 VanDerWaalsContact C-N 3.33Å; D60-E62 PolarHBondContact O-N 2.92Å; D60-K63 WeakPolarHBondContact O-CB 3.44Å; D60-K63 PolarHBondContact O-N 3.45Å; D60-Q64 WeakPolarHBondContact O-CG 3.39Å; D60-Q64 PolarHBondContact O-N 3.15Å; D60-Q64 PolarHBondContact OD2-NE2 3.02Å |
| 61 | L | 98.9 | Very high | 98.8 | Very high | 97 Ų | 97 | 99 Ų | 99 | 51% | 0.508 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.6 | -39.9 | 175.6 | -73.4 | 173.4 | 0 | 0 | 0 | 112.1 | E57 S58 Q64 N65 | E57-L61 HydrophobicContact CG-CD1 4.15Å; E57-L61 WeakPolarHBondContact O-CB 3.4Å; E57-L61 VanDerWaalsContact O-CG 3.28Å; E57-L61 WeakPolarHBondContact O-CG 3.36Å; E57-L61 PolarHBondContact O-N 2.89Å; S58-L61 PolarHBondContact O-N 2.69Å; L61-Q64 PolarHBondContact O-N 3.4Å; L61-N65 VanDerWaalsContact O-CB 3.25Å; L61-N65 WeakPolarHBondContact O-CB 3.28Å; L61-N65 PolarHBondContact O-N 3.42Å |
| 62 | E | 98.7 | Very high | 98.8 | Very high | 128 Ų | 128 | 101.4 Ų | 101.4 | 60% | 0.598 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.4 | -44 | 175.1 | -77.3 | 174.5 | -159.5 | 0 | 0 | 111.8 | S58 E59 D60 N65 A66 | S58-E62 WeakPolarHBondContact O-CB 3.35Å; S58-E62 WeakPolarHBondContact O-CG 3.48Å; S58-E62 PolarHBondContact O-N 2.97Å; E59-E62 PolarHBondContact O-N 3.34Å; D60-E62 VanDerWaalsContact C-N 3.33Å; D60-E62 PolarHBondContact O-N 2.92Å; E62-N65 PolarHBondContact O-N 3.45Å; E62-A66 WeakPolarHBondContact O-CB 3.45Å; E62-A66 PolarHBondContact O-N 2.93Å |
| 63 | K | 98.8 | Very high | 98.8 | Very high | 157 Ų | 157 | 103.4 Ų | 103.4 | 68% | 0.683 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.5 | -46.8 | 176 | -177.1 | -175.2 | 176.8 | -173.7 | 0 | 111.7 | E59 D60 A66 A67 | E59-K63 WeakPolarHBondContact O-CB 3.46Å; E59-K63 PolarHBondContact O-N 2.97Å; D60-K63 WeakPolarHBondContact O-CB 3.44Å; D60-K63 PolarHBondContact O-N 3.45Å; K63-A66 PolarHBondContact O-N 3.43Å; K63-A67 PolarHBondContact O-N 2.98Å |
| 64 | Q | 98.8 | Very high | 98.8 | Very high | 94 Ų | 94 | 103.5 Ų | 103.5 | 44% | 0.439 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 176.7 | -70.2 | -174.7 | 43.4 | 0 | 0 | 111.3 | D60 L61 A66 A67 L68 | D60-Q64 WeakPolarHBondContact O-CG 3.39Å; D60-Q64 PolarHBondContact O-N 3.15Å; D60-Q64 PolarHBondContact OD2-NE2 3.02Å; L61-Q64 PolarHBondContact O-N 3.4Å; Q64-A66 VanDerWaalsContact C-N 3.33Å; Q64-A66 PolarHBondContact O-N 3.47Å; Q64-A67 PolarHBondContact O-N 3.31Å; Q64-L68 WeakPolarHBondContact O-CG 3.5Å; Q64-L68 PolarHBondContact O-N 2.97Å |
| 65 | N | 98.8 | Very high | 98.8 | Very high | 74 Ų | 74 | 102.5 Ų | 102.5 | 40% | 0.396 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 177.8 | -159.6 | -67.8 | 0 | 0 | 0 | 111.3 | L61 E62 A67 L68 R69 | L61-N65 VanDerWaalsContact O-CB 3.25Å; L61-N65 WeakPolarHBondContact O-CB 3.28Å; L61-N65 PolarHBondContact O-N 3.42Å; E62-N65 PolarHBondContact O-N 3.45Å; N65-A67 PolarHBondContact O-N 3.08Å; N65-L68 PolarHBondContact O-N 3.23Å; N65-R69 WeakPolarHBondContact O-CB 3.46Å; N65-R69 VanDerWaalsContact O-CG 3.27Å; N65-R69 WeakPolarHBondContact O-CG 3.49Å; N65-R69 PolarHBondContact O-N 3.28Å; N65-R69 WeakPolarHBondContact OD1-CD 3.43Å; N65-R69 VanDerWaalsContact OD1-CZ 3.22Å; N65-R69 PolarHBondContact OD1-NE 3.49Å; N65-R69 PolarHBondContact OD1-NH2 3.04Å |
| 66 | A | 98.8 | Very high | 98.8 | Very high | 60 Ų | 60 | 100.1 Ų | 100.1 | 50% | 0.496 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.1 | -41.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | E62 K63 Q64 R69 K70 | E62-A66 WeakPolarHBondContact O-CB 3.45Å; E62-A66 PolarHBondContact O-N 2.93Å; K63-A66 PolarHBondContact O-N 3.43Å; Q64-A66 VanDerWaalsContact C-N 3.33Å; Q64-A66 PolarHBondContact O-N 3.47Å; A66-R69 PolarHBondContact O-N 3.36Å; A66-K70 PolarHBondContact O-N 2.87Å; A66-K70 VanDerWaalsContact O-N 3.09Å |
| 67 | A | 98.8 | Very high | 98.8 | Very high | 60 Ų | 60 | 99.6 Ų | 99.6 | 50% | 0.496 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63 | -47.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | K63 Q64 N65 R69 K70 E71 | K63-A67 PolarHBondContact O-N 2.98Å; Q64-A67 PolarHBondContact O-N 3.31Å; N65-A67 PolarHBondContact O-N 3.08Å; A67-R69 PolarHBondContact O-N 3.05Å; A67-K70 WeakPolarHBondContact O-CB 3.48Å; A67-K70 PolarHBondContact O-N 3.26Å; A67-K70 VanDerWaalsContact O-N 3.15Å; A67-E71 PolarHBondContact O-N 3.39Å |
| 68 | L | 98.9 | Very high | 98.8 | Very high | 95 Ų | 95 | 99.1 Ų | 99.1 | 50% | 0.497 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 177.7 | -70.6 | 170.6 | 0 | 0 | 0 | 112 | Q64 N65 K70 E71 I72 | Q64-L68 WeakPolarHBondContact O-CG 3.5Å; Q64-L68 PolarHBondContact O-N 2.97Å; N65-L68 PolarHBondContact O-N 3.23Å; L68-K70 VanDerWaalsContact C-N 3.28Å; L68-K70 PolarHBondContact O-N 3.01Å; L68-E71 PolarHBondContact O-N 2.89Å; L68-I72 VanDerWaalsContact O-CG1 3.3Å; L68-I72 WeakPolarHBondContact O-CG1 3.48Å; L68-I72 PolarHBondContact O-N 3.34Å |
| 69 | R | 98.7 | Very high | 98.8 | Very high | 175 Ų | 175 | 101.9 Ų | 101.9 | 66% | 0.66 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.5 | -39 | 174.4 | -76.1 | 177 | -175.7 | -178.6 | 3.8 | 112.1 | N65 A66 A67 K73 | N65-R69 WeakPolarHBondContact O-CB 3.46Å; N65-R69 VanDerWaalsContact O-CG 3.27Å; N65-R69 WeakPolarHBondContact O-CG 3.49Å; N65-R69 PolarHBondContact O-N 3.28Å; N65-R69 WeakPolarHBondContact OD1-CD 3.43Å; N65-R69 VanDerWaalsContact OD1-CZ 3.22Å; N65-R69 PolarHBondContact OD1-NE 3.49Å; N65-R69 PolarHBondContact OD1-NH2 3.04Å; A66-R69 PolarHBondContact O-N 3.36Å; A67-R69 PolarHBondContact O-N 3.05Å; R69-K73 WeakPolarHBondContact O-CB 3.43Å; R69-K73 PolarHBondContact O-N 3.12Å; R69-K73 VanDerWaalsContact O-N 3.08Å |
| 70 | K | 98.8 | Very high | 98.7 | Very high | 132 Ų | 132 | 103.8 Ų | 103.8 | 57% | 0.574 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.4 | -44.8 | 175.4 | -178.5 | -177.4 | 175.1 | -175.3 | 0 | 111.1 | A66 A67 L68 K73 Q74 | A66-K70 PolarHBondContact O-N 2.87Å; A66-K70 VanDerWaalsContact O-N 3.09Å; A67-K70 WeakPolarHBondContact O-CB 3.48Å; A67-K70 PolarHBondContact O-N 3.26Å; A67-K70 VanDerWaalsContact O-N 3.15Å; L68-K70 VanDerWaalsContact C-N 3.28Å; L68-K70 PolarHBondContact O-N 3.01Å; K70-K73 WeakPolarHBondContact O-CB 3.48Å; K70-K73 PolarHBondContact O-N 3.11Å; K70-Q74 WeakPolarHBondContact O-CG 3.45Å; K70-Q74 PolarHBondContact O-N 3.33Å |
| 71 | E | 98.7 | Very high | 98.7 | Very high | 100 Ų | 100 | 107.2 Ų | 107.2 | 47% | 0.467 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.2 | -46.8 | 177.6 | -175.5 | 174.7 | -172.4 | 0 | 0 | 111.7 | A67 L68 K73 Q74 L75 | A67-E71 PolarHBondContact O-N 3.39Å; L68-E71 PolarHBondContact O-N 2.89Å; E71-K73 VanDerWaalsContact C-N 3.26Å; E71-K73 PolarHBondContact O-N 3.39Å; E71-Q74 PolarHBondContact O-N 2.96Å; E71-Q74 VanDerWaalsContact O-N 3.15Å; E71-L75 HydrophobicContact CG-CD1 3.9Å; E71-L75 HydrophobicContact CG-CG 4.33Å; E71-L75 WeakPolarHBondContact O-CB 3.32Å; E71-L75 WeakPolarHBondContact O-CG 3.4Å; E71-L75 PolarHBondContact O-N 2.88Å |
| 72 | I | 98.8 | Very high | 98.7 | Very high | 109 Ų | 109 | 108.1 Ų | 108.1 | 56% | 0.559 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -54.9 | -45.4 | 174.1 | -70.6 | 167 | 0 | 0 | 0 | 110.6 | L68 T76 | L68-I72 VanDerWaalsContact O-CG1 3.3Å; L68-I72 WeakPolarHBondContact O-CG1 3.48Å; L68-I72 PolarHBondContact O-N 3.34Å; I72-T76 VanDerWaalsContact O-CB 3.26Å; I72-T76 WeakPolarHBondContact O-CB 3.32Å; I72-T76 PolarHBondContact O-N 3Å; I72-T76 PolarHBondContact O-OG1 3.28Å |
| 73 | K | 98.8 | Very high | 98.7 | Very high | 130 Ų | 130 | 105 Ų | 105 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.3 | -48.3 | 178.1 | -176.9 | -178.2 | 173 | -177.4 | 0 | 111.4 | R69 K70 E71 T76 E77 | R69-K73 WeakPolarHBondContact O-CB 3.43Å; R69-K73 PolarHBondContact O-N 3.12Å; R69-K73 VanDerWaalsContact O-N 3.08Å; K70-K73 WeakPolarHBondContact O-CB 3.48Å; K70-K73 PolarHBondContact O-N 3.11Å; E71-K73 VanDerWaalsContact C-N 3.26Å; E71-K73 PolarHBondContact O-N 3.39Å; K73-T76 PolarHBondContact O-N 3.18Å; K73-E77 WeakPolarHBondContact CE-OE1 3.32Å; K73-E77 IonicContact NZ-OE1 3.75Å; K73-E77 WeakPolarHBondContact O-CG 3.38Å; K73-E77 PolarHBondContact O-N 2.92Å |
| 74 | Q | 98.8 | Very high | 98.6 | Very high | 89 Ų | 89 | 101.2 Ų | 101.2 | 42% | 0.416 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.5 | -50.5 | 179.4 | -73.3 | 177.2 | -30.2 | 0 | 0 | 111.7 | K70 E71 T76 E77 E78 | K70-Q74 WeakPolarHBondContact O-CG 3.45Å; K70-Q74 PolarHBondContact O-N 3.33Å; E71-Q74 PolarHBondContact O-N 2.96Å; E71-Q74 VanDerWaalsContact O-N 3.15Å; Q74-T76 VanDerWaalsContact C-N 3.28Å; Q74-T76 PolarHBondContact O-N 3.17Å; Q74-E77 WeakPolarHBondContact O-CB 3.33Å; Q74-E77 PolarHBondContact O-N 2.86Å; Q74-E77 VanDerWaalsContact O-N 3.08Å; Q74-E78 WeakPolarHBondContact O-CG 3.48Å; Q74-E78 PolarHBondContact O-N 3.41Å |
| 75 | L | 98.8 | Very high | 98.6 | Very high | 92 Ų | 92 | 99.6 Ų | 99.6 | 48% | 0.482 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.1 | -36.3 | 178.5 | -68.3 | 174.1 | 0 | 0 | 0 | 112.1 | E71 E78 L79 | E71-L75 HydrophobicContact CG-CD1 3.9Å; E71-L75 HydrophobicContact CG-CG 4.33Å; E71-L75 WeakPolarHBondContact O-CB 3.32Å; E71-L75 WeakPolarHBondContact O-CG 3.4Å; E71-L75 PolarHBondContact O-N 2.88Å; L75-E78 PolarHBondContact O-N 3.33Å; L75-L79 VanDerWaalsContact O-CB 3.31Å; L75-L79 WeakPolarHBondContact O-CB 3.4Å; L75-L79 PolarHBondContact O-N 2.95Å |
| 76 | T | 98.6 | Very high | 98.4 | Very high | 61 Ų | 61 | 101.5 Ų | 101.5 | 37% | 0.374 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.8 | -39.1 | 174.9 | -59.5 | 0 | 0 | 0 | 0 | 111.7 | I72 K73 Q74 K80 | I72-T76 VanDerWaalsContact O-CB 3.26Å; I72-T76 WeakPolarHBondContact O-CB 3.32Å; I72-T76 PolarHBondContact O-N 3Å; I72-T76 PolarHBondContact O-OG1 3.28Å; K73-T76 PolarHBondContact O-N 3.18Å; Q74-T76 VanDerWaalsContact C-N 3.28Å; Q74-T76 PolarHBondContact O-N 3.17Å; T76-K80 HydrophobicContact CG2-CD 4.44Å; T76-K80 VanDerWaalsContact O-CG 3.26Å; T76-K80 WeakPolarHBondContact O-CG 3.3Å; T76-K80 PolarHBondContact O-N 3.37Å; T76-K80 VanDerWaalsContact O-N 3.09Å |
| 77 | E | 98.7 | Very high | 98.2 | Very high | 102 Ų | 102 | 103.2 Ų | 103.2 | 48% | 0.477 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.8 | -42.6 | 175.6 | -73.2 | 170.2 | -178.3 | 0 | 0 | 111.4 | K73 Q74 K80 Y81 | K73-E77 WeakPolarHBondContact CE-OE1 3.32Å; K73-E77 IonicContact NZ-OE1 3.75Å; K73-E77 WeakPolarHBondContact O-CG 3.38Å; K73-E77 PolarHBondContact O-N 2.92Å; Q74-E77 WeakPolarHBondContact O-CB 3.33Å; Q74-E77 PolarHBondContact O-N 2.86Å; Q74-E77 VanDerWaalsContact O-N 3.08Å; E77-K80 PolarHBondContact O-N 3.46Å; E77-Y81 WeakPolarHBondContact O-CB 3.42Å; E77-Y81 PolarHBondContact O-N 3.09Å |
| 78 | E | 98.6 | Very high | 98 | Very high | 99 Ų | 99 | 104.1 Ų | 104.1 | 46% | 0.463 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.4 | -45.5 | 175 | -74 | 179.9 | -156.4 | 0 | 0 | 112.1 | Q74 L75 K80 Y81 F82 | Q74-E78 WeakPolarHBondContact O-CG 3.48Å; Q74-E78 PolarHBondContact O-N 3.41Å; L75-E78 PolarHBondContact O-N 3.33Å; E78-K80 VanDerWaalsContact C-N 3.35Å; E78-K80 PolarHBondContact O-N 2.95Å; E78-Y81 WeakPolarHBondContact O-CB 3.36Å; E78-Y81 PolarHBondContact O-N 2.94Å; E78-F82 HydrophobicContact CB-CD2 4.41Å; E78-F82 HydrophobicContact CB-CE2 4.23Å; E78-F82 WeakPolarHBondContact O-CD2 3.3Å; E78-F82 PolarHBondContact O-N 3.37Å |
| 79 | L | 98.6 | Very high | 97.8 | Very high | 111 Ų | 111 | 104.1 Ų | 104.1 | 58% | 0.581 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -55.5 | -52.5 | 174.3 | -172.2 | 172.5 | 0 | 0 | 0 | 109.8 | L75 Y81 F82 T83 | L75-L79 VanDerWaalsContact O-CB 3.31Å; L75-L79 WeakPolarHBondContact O-CB 3.4Å; L75-L79 PolarHBondContact O-N 2.95Å; L79-Y81 VanDerWaalsContact C-N 3.29Å; L79-Y81 PolarHBondContact O-N 3.43Å; L79-F82 PolarHBondContact O-N 3.3Å; L79-T83 WeakPolarHBondContact CD2-OG1 3.43Å; L79-T83 WeakPolarHBondContact O-CB 3.36Å; L79-T83 PolarHBondContact O-N 2.99Å; L79-T83 PolarHBondContact O-OG1 2.8Å; L79-T83 VanDerWaalsContact O-OG1 3.07Å |
| 80 | K | 98.5 | Very high | 97.4 | Very high | 138 Ų | 138 | 101.5 Ų | 101.5 | 60% | 0.6 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -57.8 | -42.6 | 178.4 | -74.3 | 172.6 | -177.9 | 178.6 | 0 | 112 | T76 E77 E78 S84 | T76-K80 HydrophobicContact CG2-CD 4.44Å; T76-K80 VanDerWaalsContact O-CG 3.26Å; T76-K80 WeakPolarHBondContact O-CG 3.3Å; T76-K80 PolarHBondContact O-N 3.37Å; T76-K80 VanDerWaalsContact O-N 3.09Å; E77-K80 PolarHBondContact O-N 3.46Å; E78-K80 VanDerWaalsContact C-N 3.35Å; E78-K80 PolarHBondContact O-N 2.95Å; K80-S84 WeakPolarHBondContact O-CB 3.41Å; K80-S84 PolarHBondContact O-N 2.82Å |
| 81 | Y | 98.5 | Very high | 96.9 | Very high | 149 Ų | 149 | 100.3 Ų | 100.3 | 58% | 0.584 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.3 | -52.7 | 177.7 | 173.7 | -104.2 | 0 | 0 | 0 | 111.3 | E77 E78 L79 T83 S84 V85 | E77-Y81 WeakPolarHBondContact O-CB 3.42Å; E77-Y81 PolarHBondContact O-N 3.09Å; E78-Y81 WeakPolarHBondContact O-CB 3.36Å; E78-Y81 PolarHBondContact O-N 2.94Å; L79-Y81 VanDerWaalsContact C-N 3.29Å; L79-Y81 PolarHBondContact O-N 3.43Å; Y81-T83 PolarHBondContact O-N 3.42Å; Y81-S84 WeakPolarHBondContact O-CB 3.32Å; Y81-S84 PolarHBondContact O-N 3.49Å; Y81-S84 VanDerWaalsContact O-N 3.17Å; Y81-V85 HydrophobicContact CD2-CG2 4.44Å; Y81-V85 HydrophobicContact CE1-CG2 4.15Å; Y81-V85 HydrophobicContact CE2-CG2 4.02Å; Y81-V85 WeakPolarHBondContact O-CG2 3.33Å; Y81-V85 PolarHBondContact O-N 2.89Å |
| 82 | F | 98.5 | Very high | 96.5 | Very high | 116 Ų | 116 | 102.2 Ų | 102.2 | 51% | 0.509 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.4 | -40.5 | -179.8 | -68.8 | -52 | 0 | 0 | 0 | 112.6 | E78 L79 S84 V85 L86 | E78-F82 HydrophobicContact CB-CD2 4.41Å; E78-F82 HydrophobicContact CB-CE2 4.23Å; E78-F82 WeakPolarHBondContact O-CD2 3.3Å; E78-F82 PolarHBondContact O-N 3.37Å; L79-F82 PolarHBondContact O-N 3.3Å; F82-S84 VanDerWaalsContact C-N 3.3Å; F82-S84 PolarHBondContact O-N 3.36Å; F82-V85 PolarHBondContact O-N 3.46Å; F82-L86 WeakPolarHBondContact O-CB 3.49Å; F82-L86 VanDerWaalsContact O-CG 3.31Å; F82-L86 WeakPolarHBondContact O-CG 3.37Å; F82-L86 PolarHBondContact O-N 3.18Å |
| 83 | T | 97.9 | Very high | 95.9 | Very high | 62 Ų | 62 | 98 Ų | 98 | 38% | 0.38 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.3 | -43.7 | 172.3 | -64.4 | 0 | 0 | 0 | 0 | 111.1 | L79 Y81 V85 L86 N87 | L79-T83 WeakPolarHBondContact CD2-OG1 3.43Å; L79-T83 WeakPolarHBondContact O-CB 3.36Å; L79-T83 PolarHBondContact O-N 2.99Å; L79-T83 PolarHBondContact O-OG1 2.8Å; L79-T83 VanDerWaalsContact O-OG1 3.07Å; Y81-T83 PolarHBondContact O-N 3.42Å; T83-V85 PolarHBondContact O-N 2.87Å; T83-L86 PolarHBondContact O-N 2.88Å; T83-N87 VanDerWaalsContact O-CB 3.31Å; T83-N87 WeakPolarHBondContact O-CB 3.22Å; T83-N87 PolarHBondContact O-N 3.49Å; T83-N87 PolarHBondContact O-ND2 2.86Å; T83-N87 PolarHBondContact O-OD1 3.38Å |
| 84 | S | 97.9 | Very high | 95.2 | Very high | 78 Ų | 78 | 96.3 Ų | 96.3 | 55% | 0.545 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.9 | -44.3 | 176.3 | -173.6 | 0 | 0 | 0 | 0 | 112.2 | K80 Y81 F82 S88 | K80-S84 WeakPolarHBondContact O-CB 3.41Å; K80-S84 PolarHBondContact O-N 2.82Å; Y81-S84 WeakPolarHBondContact O-CB 3.32Å; Y81-S84 PolarHBondContact O-N 3.49Å; Y81-S84 VanDerWaalsContact O-N 3.17Å; F82-S84 VanDerWaalsContact C-N 3.3Å; F82-S84 PolarHBondContact O-N 3.36Å; S84-S88 WeakPolarHBondContact O-CB 3.44Å; S84-S88 PolarHBondContact O-N 3.17Å; S84-S88 PolarHBondContact O-OG 3.25Å |
| 85 | V | 97.4 | Very high | 94.5 | Very high | 60 Ų | 60 | 96.9 Ų | 96.9 | 36% | 0.364 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.9 | -48.3 | 178.6 | 171.4 | 0 | 0 | 0 | 0 | 110.5 | Y81 F82 T83 N87 S88 H89 | Y81-V85 HydrophobicContact CD2-CG2 4.44Å; Y81-V85 HydrophobicContact CE1-CG2 4.15Å; Y81-V85 HydrophobicContact CE2-CG2 4.02Å; Y81-V85 WeakPolarHBondContact O-CG2 3.33Å; Y81-V85 PolarHBondContact O-N 2.89Å; F82-V85 PolarHBondContact O-N 3.46Å; T83-V85 PolarHBondContact O-N 2.87Å; V85-N87 PolarHBondContact O-N 3.44Å; V85-S88 PolarHBondContact O-N 2.98Å; V85-S88 PolarHBondContact O-OG 3.21Å; V85-H89 PolarHBondContact O-N 3.37Å |
| 86 | L | 96.1 | Very high | 93 | Very high | 113 Ų | 113 | 96.7 Ų | 96.7 | 59% | 0.592 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.6 | -45.4 | 178.8 | -70.7 | 177.9 | 0 | 0 | 0 | 112 | F82 T83 S88 H89 E90 | F82-L86 WeakPolarHBondContact O-CB 3.49Å; F82-L86 VanDerWaalsContact O-CG 3.31Å; F82-L86 WeakPolarHBondContact O-CG 3.37Å; F82-L86 PolarHBondContact O-N 3.18Å; T83-L86 PolarHBondContact O-N 2.88Å; L86-S88 VanDerWaalsContact C-N 3.28Å; L86-S88 PolarHBondContact O-N 3.01Å; L86-H89 PolarHBondContact O-N 2.8Å; L86-H89 VanDerWaalsContact O-N 3.1Å; L86-E90 PolarHBondContact O-N 2.93Å |
| 87 | N | 94.8 | Very high | 91.4 | Very high | 97 Ų | 97 | 97.7 Ų | 97.7 | 52% | 0.519 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.1 | -36.6 | 177.7 | -69.3 | -5.8 | 0 | 0 | 0 | 112 | T83 V85 H89 P91 | T83-N87 VanDerWaalsContact O-CB 3.31Å; T83-N87 WeakPolarHBondContact O-CB 3.22Å; T83-N87 PolarHBondContact O-N 3.49Å; T83-N87 PolarHBondContact O-ND2 2.86Å; T83-N87 PolarHBondContact O-OD1 3.38Å; V85-N87 PolarHBondContact O-N 3.44Å; N87-H89 VanDerWaalsContact C-N 3.31Å; N87-P91 WeakPolarHBondContact O-CD 3.24Å |
| 88 | S | 94.2 | Very high | 89.7 | Confident | 78 Ų | 78 | 97 Ų | 97 | 55% | 0.545 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -71.2 | -27.7 | 176.5 | 74.1 | 0 | 0 | 0 | 0 | 113.2 | S84 V85 L86 | S84-S88 WeakPolarHBondContact O-CB 3.44Å; S84-S88 PolarHBondContact O-N 3.17Å; S84-S88 PolarHBondContact O-OG 3.25Å; V85-S88 PolarHBondContact O-N 2.98Å; V85-S88 PolarHBondContact O-OG 3.21Å; L86-S88 VanDerWaalsContact C-N 3.28Å; L86-S88 PolarHBondContact O-N 3.01Å |
| 89 | H | 94 | Very high | 87.6 | Confident | 96 Ų | 96 | 95.6 Ų | 95.6 | 44% | 0.444 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -84 | -34.9 | 178.9 | 171.7 | -92.2 | 0 | 0 | 0 | 113 | V85 L86 N87 P91 L92 C93 | V85-H89 PolarHBondContact O-N 3.37Å; L86-H89 PolarHBondContact O-N 2.8Å; L86-H89 VanDerWaalsContact O-N 3.1Å; N87-H89 VanDerWaalsContact C-N 3.31Å; H89-P91 VanDerWaalsContact C-CD 3.46Å; H89-L92 WeakPolarHBondContact O-CA 3.41Å; H89-L92 WeakPolarHBondContact O-CB 3.36Å; H89-L92 PolarHBondContact O-N 2.96Å; H89-C93 VanDerWaalsContact CE1-CB 3.43Å; H89-C93 WeakPolarHBondContact CE1-CB 3.31Å; H89-C93 PolarHBondContact CE1-SG 3.4Å; H89-C93 PolarHBondContact O-N 2.9Å; H89-C93 VanDerWaalsContact O-N 3.15Å |
| 90 | E | 91 | Very high | 85 | Confident | 120 Ų | 120 | 96.2 Ų | 96.2 | 56% | 0.561 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -42.2 | -51.9 | -177.3 | -167.8 | -166.9 | -177.2 | 0 | 0 | 114.2 | L86 L92 C93 L96 | L86-E90 PolarHBondContact O-N 2.93Å; E90-L92 PolarHBondContact O-N 2.96Å; E90-C93 WeakPolarHBondContact O-CB 3.42Å; E90-C93 PolarHBondContact O-N 3.33Å; E90-L96 HydrophobicContact CG-CD1 3.88Å |
| 91 | P | 88.1 | Confident | 82.7 | Confident | 107 Ų | 107 | 95.2 Ų | 95.2 | 70% | 0.695 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -70.1 | -15.1 | -178.8 | 28.7 | -37 | 0 | 0 | 0 | 114.4 | N87 H89 | N87-P91 WeakPolarHBondContact O-CD 3.24Å; H89-P91 VanDerWaalsContact C-CD 3.46Å |
| 92 | L | 89.7 | Confident | 80.4 | Confident | 139 Ų | 139 | 93.6 Ų | 93.6 | 73% | 0.728 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -96.2 | -10.3 | 178.8 | -54.4 | 178.1 | 0 | 0 | 0 | 112 | H89 E90 S94 | H89-L92 WeakPolarHBondContact O-CA 3.41Å; H89-L92 WeakPolarHBondContact O-CB 3.36Å; H89-L92 PolarHBondContact O-N 2.96Å; E90-L92 PolarHBondContact O-N 2.96Å; L92-S94 PolarHBondContact O-N 2.77Å |
| 93 | C | 87.1 | Confident | 78.3 | Confident | 20 Ų | 20 | 93.4 Ų | 93.4 | 14% | 0.135 | 58% | 0.58 | C | S | . | * | trans | -79.1 | 101.9 | -173.1 | -169.5 | 0 | 0 | 0 | 0 | 111.4 | H89 E90 V95 L96 A97 | H89-C93 VanDerWaalsContact CE1-CB 3.43Å; H89-C93 WeakPolarHBondContact CE1-CB 3.31Å; H89-C93 PolarHBondContact CE1-SG 3.4Å; H89-C93 PolarHBondContact O-N 2.9Å; H89-C93 VanDerWaalsContact O-N 3.15Å; E90-C93 WeakPolarHBondContact O-CB 3.42Å; E90-C93 PolarHBondContact O-N 3.33Å; C93-V95 PolarHBondContact O-N 2.87Å; C93-L96 HydrophobicContact CB-CB 4.15Å; C93-L96 HydrophobicContact CB-CD1 4.03Å; C93-L96 HydrophobicContact CB-CG 4.12Å; C93-L96 PolarHBondContact O-N 3.17Å; C93-A97 PolarHBondContact O-N 2.66Å; C93-A97 VanDerWaalsContact O-N 3.09Å | ||
| 94 | S | 83.8 | Confident | 76.2 | Confident | 95 Ų | 95 | 96 Ų | 96 | 66% | 0.664 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -60.1 | -28.1 | 175 | 56.8 | 0 | 0 | 0 | 0 | 113.5 | L92 A98 | L92-S94 PolarHBondContact O-N 2.77Å; S94-A98 WeakPolarHBondContact O-CB 3.21Å; S94-A98 PolarHBondContact O-N 2.71Å; S94-A98 VanDerWaalsContact O-N 3.09Å |
| 95 | V | 83.7 | Confident | 74.3 | Confident | 102 Ų | 102 | 100.8 Ų | 100.8 | 62% | 0.618 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65.4 | -46.3 | 176.4 | -177.6 | 0 | 0 | 0 | 0 | 110.7 | C93 A98 S99 | C93-V95 PolarHBondContact O-N 2.87Å; V95-A98 PolarHBondContact O-N 3.34Å; V95-S99 PolarHBondContact O-N 3.31Å; V95-S99 VanDerWaalsContact O-N 3.13Å; V95-S99 PolarHBondContact O-OG 2.84Å |
| 96 | L | 67.8 | Low | 72.5 | Confident | 87 Ų | 87 | 103.6 Ų | 103.6 | 46% | 0.455 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -69.3 | -36.7 | 177.6 | -68.8 | 176.6 | 0 | 0 | 0 | 111.9 | E90 C93 A98 S99 | E90-L96 HydrophobicContact CG-CD1 3.88Å; C93-L96 HydrophobicContact CB-CB 4.15Å; C93-L96 HydrophobicContact CB-CD1 4.03Å; C93-L96 HydrophobicContact CB-CG 4.12Å; C93-L96 PolarHBondContact O-N 3.17Å; L96-A98 PolarHBondContact O-N 2.9Å; L96-S99 CarbonylContact O-C 3.56Å; L96-S99 PolarHBondContact O-N 2.8Å; L96-S99 VanDerWaalsContact O-N 3.15Å |
| 97 | A | 64 | Low | 71 | Confident | 83 Ų | 83 | 103.8 Ų | 103.8 | 69% | 0.686 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -61.9 | -30.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | C93 | C93-A97 PolarHBondContact O-N 2.66Å; C93-A97 VanDerWaalsContact O-N 3.09Å |
| 98 | A | 63.4 | Low | 69.4 | Low | 88 Ų | 88 | 109.2 Ų | 109.2 | 73% | 0.727 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -84.1 | -19.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | S94 V95 L96 | S94-A98 WeakPolarHBondContact O-CB 3.21Å; S94-A98 PolarHBondContact O-N 2.71Å; S94-A98 VanDerWaalsContact O-N 3.09Å; V95-A98 PolarHBondContact O-N 3.34Å; L96-A98 PolarHBondContact O-N 2.9Å |
| 99 | S | 55.1 | Low | 67.8 | Low | 69 Ų | 69 | 110 Ų | 110 | 48% | 0.483 | 66% | 0.655 | S | S | . | * | trans | -108.9 | 73.7 | -177.8 | 69.2 | 0 | 0 | 0 | 0 | 112.3 | V95 L96 | V95-S99 PolarHBondContact O-N 3.31Å; V95-S99 VanDerWaalsContact O-N 3.13Å; V95-S99 PolarHBondContact O-OG 2.84Å; L96-S99 CarbonylContact O-C 3.56Å; L96-S99 PolarHBondContact O-N 2.8Å; L96-S99 VanDerWaalsContact O-N 3.15Å | ||
| 100 | T | 43.1 | Very low | 66.2 | Low | 123 Ų | 123 | 110 Ų | 110 | 76% | 0.755 | 67% | 0.672 | S | S | * | * | trans | -110.5 | 118.9 | 149.1 | 44.4 | 0 | 0 | 0 | 0 | 106 | ||||
| 101 | P | 51.7 | Low | 64.8 | Low | 118 Ų | 118 | 111.8 Ų | 111.8 | 77% | 0.766 | 68% | 0.68 | S | S | * | * | S | Bend | -126.6 | 149.8 | 52.7 | 28.8 | -9.7 | 0 | 0 | 0 | 115 | |||
| 102 | S | 50.2 | Low | 63.5 | Low | 115 Ų | 115 | 111.4 Ų | 111.4 | 80% | 0.804 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 123.2 | 176.3 | 51.5 | 0 | 0 | 0 | 0 | 113.8 | ||
| 103 | P | 54.1 | Low | 62.1 | Low | 111 Ų | 111 | 113.3 Ų | 113.3 | 72% | 0.721 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 157.3 | 162.1 | 5.6 | 10.6 | 0 | 0 | 0 | 110.2 | ||
| 104 | P | 52.9 | Low | 60.7 | Low | 116 Ų | 116 | 120.6 Ų | 120.6 | 75% | 0.753 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 141.7 | -167.9 | 28.9 | -34.3 | 0 | 0 | 0 | 110.8 | V106 | P104-V106 PolarHBondContact O-N 3.14Š|
| 105 | E | 58.6 | Low | 59.5 | Low | 179 Ų | 179 | 122.8 Ų | 122.8 | 84% | 0.836 | 72% | 0.719 | S | S | * | * | trans | -38.3 | 108.8 | 171.1 | -76.4 | -173.1 | 143.6 | 0 | 0 | 110.4 | V107 | E105-V107 PolarHBondContact O-N 3.41Š| ||
| 106 | V | 60 | Low | 58.5 | Low | 119 Ų | 119 | 122.5 Ų | 122.5 | 72% | 0.721 | 72% | 0.72 | S | S | * | * | trans | -70.9 | 91 | 166.8 | -179.8 | 0 | 0 | 0 | 0 | 105.4 | P104 Y108 | P104-V106 PolarHBondContact O-N 3.14Å; V106-Y108 PolarHBondContact O-N 3.42Å | ||
| 107 | V | 63 | Low | 58.1 | Low | 117 Ų | 117 | 126.2 Ų | 126.2 | 71% | 0.709 | 74% | 0.735 | S | S | * | * | trans | -57.7 | 104.1 | 168.9 | 177.2 | 0 | 0 | 0 | 0 | 106.2 | E105 S109 | E105-V107 PolarHBondContact O-N 3.41Å; V107-S109 VanDerWaalsContact C-N 3.35Å; V107-S109 PolarHBondContact O-N 3.47Å | ||
| 108 | Y | 62.5 | Low | 57.9 | Low | 212 Ų | 212 | 128.5 Ų | 128.5 | 83% | 0.831 | 74% | 0.74 | S | S | * | * | trans | -61.1 | 103.2 | 167.5 | -86 | -87.9 | 0 | 0 | 0 | 107 | V106 A110 | V106-Y108 PolarHBondContact O-N 3.42Å; Y108-A110 PolarHBondContact O-N 2.96Å | ||
| 109 | S | 59.6 | Low | 57.8 | Low | 94 Ų | 94 | 129.6 Ų | 129.6 | 66% | 0.657 | 74% | 0.742 | S | S | * | * | trans | -56.1 | 111.7 | 172.1 | -108.7 | 0 | 0 | 0 | 0 | 107.9 | V107 H111 | V107-S109 VanDerWaalsContact C-N 3.35Å; V107-S109 PolarHBondContact O-N 3.47Å; S109-H111 VanDerWaalsContact C-N 3.33Å; S109-H111 PolarHBondContact O-N 3Å | ||
| 110 | A | 61.6 | Low | 58.1 | Low | 97 Ų | 97 | 131.5 Ų | 131.5 | 80% | 0.802 | 76% | 0.755 | S | S | * | * | trans | -60 | 101.7 | 169 | 0 | 0 | 0 | 0 | 0 | 106.9 | Y108 A112 | Y108-A110 PolarHBondContact O-N 2.96Å; A110-A112 PolarHBondContact O-N 2.92Å | ||
| 111 | H | 60.3 | Low | 59.2 | Low | 157 Ų | 157 | 130.7 Ų | 130.7 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | -56.7 | 107.6 | 171.3 | -73.5 | -71.5 | 0 | 0 | 0 | 107.1 | S109 F113 | S109-H111 VanDerWaalsContact C-N 3.33Å; S109-H111 PolarHBondContact O-N 3Å; H111-F113 VanDerWaalsContact O-CD2 3.32Å; H111-F113 WeakPolarHBondContact O-CD2 3.41Å; H111-F113 PolarHBondContact O-N 3.35Å | ||
| 112 | A | 62 | Low | 60.1 | Low | 98 Ų | 98 | 135.6 Ų | 135.6 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | trans | -63.7 | 93.3 | 170 | 0 | 0 | 0 | 0 | 0 | 106.6 | A110 H114 | A110-A112 PolarHBondContact O-N 2.92Å; A112-H114 PolarHBondContact O-N 3.21Å | ||
| 113 | F | 59.9 | Low | 60.5 | Low | 180 Ų | 180 | 139.7 Ų | 139.7 | 79% | 0.789 | 76% | 0.759 | S | S | * | * | trans | -57.8 | 112.8 | 167.3 | -72.7 | -83.2 | 0 | 0 | 0 | 106.5 | H111 Q115 | H111-F113 VanDerWaalsContact O-CD2 3.32Å; H111-F113 WeakPolarHBondContact O-CD2 3.41Å; H111-F113 PolarHBondContact O-N 3.35Å; F113-Q115 PolarHBondContact O-N 3.5Å | ||
| 114 | H | 58.2 | Low | 60.3 | Low | 172 Ų | 172 | 142.2 Ų | 142.2 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | trans | -60.5 | 96.4 | 169.2 | -151.8 | -35.8 | 0 | 0 | 0 | 105.7 | A112 P116 | A112-H114 PolarHBondContact O-N 3.21Å; H114-P116 WeakPolarHBondContact O-CD 3.35Å | ||
| 115 | Q | 57.7 | Low | 61 | Low | 141 Ų | 141 | 146.2 Ų | 146.2 | 66% | 0.659 | 79% | 0.787 | S | S | * | * | trans | -70.7 | 106.8 | 169.3 | -81.9 | -81.3 | -2.8 | 0 | 0 | 105.7 | F113 H117 | F113-Q115 PolarHBondContact O-N 3.5Å; Q115-H117 PolarHBondContact O-N 2.84Å | ||
| 116 | P | 61.8 | Low | 61.1 | Low | 97 Ų | 97 | 144.6 Ų | 144.6 | 63% | 0.63 | 78% | 0.784 | S | S | * | * | trans | -64.5 | 112.2 | 166.2 | 28.5 | -31 | 0 | 0 | 0 | 106 | H114 V118 | H114-P116 WeakPolarHBondContact O-CD 3.35Å; P116-V118 VanDerWaalsContact C-N 3.32Å; P116-V118 PolarHBondContact O-N 3.16Å | ||
| 117 | H | 60.4 | Low | 61.1 | Low | 165 Ų | 165 | 145.9 Ų | 145.9 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | trans | -58.3 | 98.3 | 173.6 | -41.3 | -73.4 | 0 | 0 | 0 | 107.7 | Q115 S119 | Q115-H117 PolarHBondContact O-N 2.84Å; H117-S119 VanDerWaalsContact C-N 3.27Å; H117-S119 PolarHBondContact O-N 3.38Å | ||
| 118 | V | 59.4 | Low | 61 | Low | 131 Ų | 131 | 147.5 Ų | 147.5 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | trans | -72.8 | 94.5 | 162.9 | -73.1 | 0 | 0 | 0 | 0 | 105.7 | P116 S120 | P116-V118 VanDerWaalsContact C-N 3.32Å; P116-V118 PolarHBondContact O-N 3.16Å; V118-S120 PolarHBondContact O-N 2.9Å | ||
| 119 | S | 61.5 | Low | 60.9 | Low | 110 Ų | 110 | 143.7 Ų | 143.7 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | -53.3 | 102 | 171.5 | -64.3 | 0 | 0 | 0 | 0 | 108.4 | H117 P121 | H117-S119 VanDerWaalsContact C-N 3.27Å; H117-S119 PolarHBondContact O-N 3.38Å; S119-P121 WeakPolarHBondContact O-CD 3.39Å | ||
| 120 | S | 60.6 | Low | 61 | Low | 110 Ų | 110 | 146.8 Ų | 146.8 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -68.1 | 119.3 | 175.3 | -162.2 | 0 | 0 | 0 | 0 | 107.5 | V118 R122 | V118-S120 PolarHBondContact O-N 2.9Å; S120-R122 PolarHBondContact O-N 3.45Å | ||
| 121 | P | 67 | Low | 61 | Low | 105 Ų | 105 | 150.1 Ų | 150.1 | 68% | 0.682 | 80% | 0.798 | S | S | * | * | trans | -64.7 | 111.1 | 179.7 | 24.7 | -30.5 | 0 | 0 | 0 | 108.4 | S119 F123 | S119-P121 WeakPolarHBondContact O-CD 3.39Å; P121-F123 PolarHBondContact O-N 2.85Å | ||
| 122 | R | 70.4 | Confident | 61 | Low | 221 Ų | 221 | 149.6 Ų | 149.6 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | trans | -55.8 | 108 | 173.2 | -169.9 | 177.3 | -165.1 | 126.2 | -0.1 | 108.1 | S120 Q124 | S120-R122 PolarHBondContact O-N 3.45Å; R122-Q124 PolarHBondContact O-N 3.07Å | ||
| 123 | F | 59.2 | Low | 61 | Low | 201 Ų | 201 | 153.6 Ų | 153.6 | 88% | 0.882 | 80% | 0.802 | S | S | * | * | trans | -61 | 106.4 | 165.5 | -85.7 | -92.4 | 0 | 0 | 0 | 107.6 | P121 | P121-F123 PolarHBondContact O-N 2.85Š| ||
| 124 | Q | 49.5 | Very low | 61 | Low | 165 Ų | 165 | 151.4 Ų | 151.4 | 77% | 0.771 | 80% | 0.803 | S | S | * | * | trans | -86.2 | 135.9 | 158.5 | -77.5 | -175.6 | -36.3 | 0 | 0 | 107.8 | R122 | R122-Q124 PolarHBondContact O-N 3.07Š| ||
| 125 | P | 66.7 | Low | 61.3 | Low | 199 Ų | 199 | 149.5 Ų | 149.5 | 100% | 1.292 | 80% | 0.804 | S | S | * | * | trans | -63.3 | 0 | -177.8 | 26.6 | -33.9 | 0 | 0 | 0 | 113.3 |
Retrieved 125 of 125 residues in 136.6 ms
(Link to these results)