| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41.4 | Very low | 40.6 | Very low | 240 Ų | 240 | 135 Ų | 135 | 100% | 1.182 | 82% | 0.816 | S | S | * | * | 0 | 136.5 | 0 | -70.4 | 179.6 | 78.3 | 0 | 0 | 108.2 | |||||
| 2 | S | 38.7 | Very low | 41.4 | Very low | 95 Ų | 95 | 139.9 Ų | 139.9 | 66% | 0.664 | 82% | 0.819 | S | S | * | * | trans | 73 | 91.1 | 168.2 | -58.1 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 3 | T | 41.6 | Very low | 41.7 | Very low | 136 Ų | 136 | 143.1 Ų | 143.1 | 83% | 0.834 | 82% | 0.824 | S | S | * | * | trans | -97.9 | 104 | 147.8 | 49.8 | 0 | 0 | 0 | 0 | 107.8 | V5 | T3-V5 PolarHBondContact O-N 3.16Š| ||
| 4 | H | 36.3 | Very low | 41.9 | Very low | 170 Ų | 170 | 147.3 Ų | 147.3 | 79% | 0.787 | 83% | 0.828 | S | S | * | * | trans | -63.9 | 115.8 | 172.7 | -73.5 | -99.9 | 0 | 0 | 0 | 109.1 | A6 | H4-A6 PolarHBondContact O-N 3.4Š| ||
| 5 | V | 38.2 | Very low | 42.2 | Very low | 137 Ų | 137 | 148.5 Ų | 148.5 | 83% | 0.83 | 83% | 0.831 | S | S | * | * | trans | -78.4 | 100 | 162.2 | 170.8 | 0 | 0 | 0 | 0 | 106.1 | T3 G7 | T3-V5 PolarHBondContact O-N 3.16Å; V5-G7 PolarHBondContact O-N 2.89Å | ||
| 6 | A | 38.8 | Very low | 42.4 | Very low | 79 Ų | 79 | 142.1 Ų | 142.1 | 65% | 0.653 | 81% | 0.808 | S | S | * | * | trans | -64.2 | 112.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | H4 L8 | H4-A6 PolarHBondContact O-N 3.4Å; A6-L8 PolarHBondContact O-N 3.35Å | ||
| 7 | G | 43.8 | Very low | 42.6 | Very low | 76 Ų | 76 | 139.7 Ų | 139.7 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | trans | -59.9 | 108 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | V5 | V5-G7 PolarHBondContact O-N 2.89Š| ||
| 8 | L | 44.8 | Very low | 43.1 | Very low | 164 Ų | 164 | 136.7 Ų | 136.7 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | trans | -82.5 | 117.5 | 168.4 | -68.7 | 175 | 0 | 0 | 0 | 107.4 | A6 L10 | A6-L8 PolarHBondContact O-N 3.35Å; L8-L10 PolarHBondContact O-N 3.22Å | ||
| 9 | G | 36.8 | Very low | 43.5 | Very low | 67 Ų | 67 | 134.7 Ų | 134.7 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | trans | -57.2 | 131.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | D11 | G9-D11 PolarHBondContact O-N 3.06Š| ||
| 10 | L | 46.2 | Very low | 43.8 | Very low | 181 Ų | 181 | 131.4 Ų | 131.4 | 95% | 0.948 | 75% | 0.748 | S | S | * | * | trans | -64.6 | 79.3 | 162.2 | -93.8 | 126.8 | 0 | 0 | 0 | 109.4 | L8 K12 | L8-L10 PolarHBondContact O-N 3.22Å; L10-K12 PolarHBondContact O-N 3.25Å | ||
| 11 | D | 40.3 | Very low | 44 | Very low | 140 Ų | 140 | 130 Ų | 130 | 75% | 0.749 | 73% | 0.734 | S | S | * | * | trans | -93.2 | 91 | 162.6 | 102.5 | -73.9 | 0 | 0 | 0 | 109.2 | G9 M13 | G9-D11 PolarHBondContact O-N 3.06Å; D11-M13 PolarHBondContact O-N 2.88Å; D11-M13 VanDerWaalsContact O-N 3.16Å | ||
| 12 | K | 50.3 | Low | 44.6 | Very low | 194 Ų | 194 | 122 Ų | 122 | 84% | 0.843 | 70% | 0.696 | S | S | * | * | trans | 47.2 | 62.5 | 140.4 | -41.1 | -135.5 | 179.7 | -163.2 | 0 | 115.2 | L10 K14 | L10-K12 PolarHBondContact O-N 3.25Å; K12-K14 PolarHBondContact O-N 3.46Å | ||
| 13 | M | 45 | Very low | 45.3 | Very low | 181 Ų | 181 | 122.6 Ų | 122.6 | 89% | 0.892 | 69% | 0.692 | S | S | * | * | trans | -67.7 | 96.3 | 153.5 | -69.2 | 179.5 | -178.1 | 0 | 0 | 107.3 | D11 L15 | D11-M13 PolarHBondContact O-N 2.88Å; D11-M13 VanDerWaalsContact O-N 3.16Å; M13-L15 PolarHBondContact O-N 3.49Å | ||
| 14 | K | 43.9 | Very low | 45.9 | Very low | 202 Ų | 202 | 123.4 Ų | 123.4 | 88% | 0.878 | 69% | 0.686 | S | S | * | * | trans | -47.8 | 106.7 | 163.5 | -171.3 | 174.9 | -174.7 | -177.8 | 0 | 105.2 | K12 G16 | K12-K14 PolarHBondContact O-N 3.46Å; K14-G16 PolarHBondContact O-N 2.93Å | ||
| 15 | L | 47.6 | Very low | 46.9 | Very low | 165 Ų | 165 | 118.2 Ų | 118.2 | 86% | 0.864 | 66% | 0.662 | S | S | * | * | trans | -57.7 | 88.8 | 173.2 | -96.6 | 83.7 | 0 | 0 | 0 | 106.6 | M13 | M13-L15 PolarHBondContact O-N 3.49Š| ||
| 16 | G | 44.5 | Very low | 47.9 | Very low | 46 Ų | 46 | 113.4 Ų | 113.4 | 47% | 0.474 | 63% | 0.631 | S | S | . | * | trans | -55 | 147.9 | 157.9 | 0 | 0 | 0 | 0 | 0 | 106.8 | K14 P18 | K14-G16 PolarHBondContact O-N 2.93Å; G16-P18 WeakPolarHBondContact O-CD 3.48Å | ||
| 17 | N | 46.9 | Very low | 49 | Very low | 102 Ų | 102 | 112.5 Ų | 112.5 | 55% | 0.545 | 62% | 0.623 | S | S | . | * | trans | -39.3 | 117.6 | 176.5 | -178.9 | 21.7 | 0 | 0 | 0 | 109.7 | Q19 S20 | N17-Q19 VanDerWaalsContact ND2-CB 3.26Å; N17-Q19 WeakPolarHBondContact ND2-CB 3.5Å; N17-Q19 PolarHBondContact O-N 2.67Å; N17-S20 PolarHBondContact O-N 2.98Å; N17-S20 PolarHBondContact O-OG 2.84Å | ||
| 18 | P | 50.8 | Low | 49.6 | Very low | 86 Ų | 86 | 113.8 Ų | 113.8 | 56% | 0.558 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -55 | -21.4 | -177 | 15.1 | -27.7 | 0 | 0 | 0 | 112.6 | G16 L22 | G16-P18 WeakPolarHBondContact O-CD 3.48Å; P18-L22 WeakPolarHBondContact O-CG 3.47Å; P18-L22 PolarHBondContact O-N 3.46Å |
| 19 | Q | 50 | Low | 50.3 | Low | 98 Ų | 98 | 109 Ų | 109 | 46% | 0.458 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -59.3 | -39.8 | 170.9 | -133.6 | 106.7 | -29.3 | 0 | 0 | 114.2 | N17 F21 L22 D23 | N17-Q19 VanDerWaalsContact ND2-CB 3.26Å; N17-Q19 WeakPolarHBondContact ND2-CB 3.5Å; N17-Q19 PolarHBondContact O-N 2.67Å; Q19-F21 VanDerWaalsContact C-N 3.33Å; Q19-F21 PolarHBondContact O-N 2.89Å; Q19-L22 PolarHBondContact O-N 3.29Å; Q19-D23 WeakPolarHBondContact O-CB 3.17Å; Q19-D23 PolarHBondContact O-N 3.49Å |
| 20 | S | 49.6 | Very low | 51.3 | Low | 68 Ų | 68 | 110.9 Ų | 110.9 | 48% | 0.476 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -74.9 | -24.8 | -175.3 | 63.9 | 0 | 0 | 0 | 0 | 113.1 | N17 Q24 | N17-S20 PolarHBondContact O-N 2.98Å; N17-S20 PolarHBondContact O-OG 2.84Å; S20-Q24 WeakPolarHBondContact O-CB 3.34Å; S20-Q24 PolarHBondContact O-N 3.48Å |
| 21 | F | 48.1 | Very low | 52 | Low | 102 Ų | 102 | 110.4 Ų | 110.4 | 45% | 0.447 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -74.6 | -45.9 | 174.4 | -172.9 | -98.9 | 0 | 0 | 0 | 110.3 | Q19 D23 Q24 E25 L81 | Q19-F21 VanDerWaalsContact C-N 3.33Å; Q19-F21 PolarHBondContact O-N 2.89Å; F21-D23 PolarHBondContact O-N 2.98Å; F21-Q24 PolarHBondContact O-N 3.35Å; F21-E25 HydrophobicContact CD1-CG 4.49Å; F21-E25 HydrophobicContact CE1-CG 4.19Å; F21-E25 WeakPolarHBondContact CE1-OE1 3.47Å; F21-E25 WeakPolarHBondContact CE1-OE2 3.41Å; F21-E25 HydrophobicContact CZ-CG 4.42Å; F21-E25 PolarHBondContact O-N 3.23Å; F21-E25 VanDerWaalsContact O-N 3.08Å; F21-L81 HydrophobicContact CE1-CB 4.25Å; F21-L81 HydrophobicContact CZ-CB 4.45Å |
| 22 | L | 54.9 | Low | 53 | Low | 74 Ų | 74 | 110.2 Ų | 110.2 | 39% | 0.387 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61 | -44.7 | 175.6 | -69.1 | 170.6 | 0 | 0 | 0 | 112.4 | P18 Q19 Q24 E25 E26 | P18-L22 WeakPolarHBondContact O-CG 3.47Å; P18-L22 PolarHBondContact O-N 3.46Å; Q19-L22 PolarHBondContact O-N 3.29Å; L22-Q24 PolarHBondContact O-N 3.08Å; L22-E25 PolarHBondContact O-N 3.47Å; L22-E26 WeakPolarHBondContact O-CB 3.26Å; L22-E26 VanDerWaalsContact O-CG 3.24Å; L22-E26 WeakPolarHBondContact O-CG 3.48Å; L22-E26 PolarHBondContact O-N 3.04Å |
| 23 | D | 53.5 | Low | 53.6 | Low | 107 Ų | 107 | 104.6 Ų | 104.6 | 57% | 0.572 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.9 | -28.9 | 179.3 | -77 | -14.7 | 0 | 0 | 0 | 112.6 | Q19 F21 A27 | Q19-D23 WeakPolarHBondContact O-CB 3.17Å; Q19-D23 PolarHBondContact O-N 3.49Å; F21-D23 PolarHBondContact O-N 2.98Å; D23-A27 PolarHBondContact O-N 3.42Å |
| 24 | Q | 54.3 | Low | 55.1 | Low | 153 Ų | 153 | 103.2 Ų | 103.2 | 72% | 0.715 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -79.3 | -42.6 | 179.3 | -170.4 | 112 | -2.8 | 0 | 0 | 111.9 | S20 F21 L22 A27 D28 | S20-Q24 WeakPolarHBondContact O-CB 3.34Å; S20-Q24 PolarHBondContact O-N 3.48Å; F21-Q24 PolarHBondContact O-N 3.35Å; L22-Q24 PolarHBondContact O-N 3.08Å; Q24-A27 PolarHBondContact O-N 3.48Å; Q24-D28 PolarHBondContact O-N 3.26Å |
| 25 | E | 57.6 | Low | 56.6 | Low | 60 Ų | 60 | 98.4 Ų | 98.4 | 28% | 0.28 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.9 | -39.9 | 174.6 | -69.6 | -172.9 | 127.7 | 0 | 0 | 111.8 | F21 L22 A27 D28 D29 L81 | F21-E25 HydrophobicContact CD1-CG 4.49Å; F21-E25 HydrophobicContact CE1-CG 4.19Å; F21-E25 WeakPolarHBondContact CE1-OE1 3.47Å; F21-E25 WeakPolarHBondContact CE1-OE2 3.41Å; F21-E25 HydrophobicContact CZ-CG 4.42Å; F21-E25 PolarHBondContact O-N 3.23Å; F21-E25 VanDerWaalsContact O-N 3.08Å; L22-E25 PolarHBondContact O-N 3.47Å; E25-A27 PolarHBondContact O-N 3.44Å; E25-D28 PolarHBondContact O-N 3.49Å; E25-D29 PolarHBondContact O-N 2.96Å; E25-L81 WeakPolarHBondContact OE1-CD1 3.24Å; E25-L81 WeakPolarHBondContact OE1-CD2 3.39Å |
| 26 | E | 59.1 | Low | 58.1 | Low | 37 Ų | 37 | 96.9 Ų | 96.9 | 17% | 0.173 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -63.2 | -27.5 | 177.7 | -75.5 | -167.1 | -165.7 | 0 | 0 | 113.5 | L22 Q30 W38 R45 | L22-E26 WeakPolarHBondContact O-CB 3.26Å; L22-E26 VanDerWaalsContact O-CG 3.24Å; L22-E26 WeakPolarHBondContact O-CG 3.48Å; L22-E26 PolarHBondContact O-N 3.04Å; E26-Q30 VanDerWaalsContact O-CG 3.29Å; E26-Q30 WeakPolarHBondContact O-CG 3.29Å; E26-Q30 PolarHBondContact O-N 3.23Å; E26-Q30 PolarHBondContact O-NE2 2.98Å; E26-W38 WeakPolarHBondContact O-CH2 3.37Å; E26-R45 VanDerWaalsContact CD-NH2 3.27Å; E26-R45 IonicContact OE1-CZ 2.98Å; E26-R45 IonicContact OE1-NE 3.59Å; E26-R45 IonicContact OE1-NH1 3Å; E26-R45 PolarHBondContact OE1-NH1 2.86Å; E26-R45 IonicContact OE1-NH2 3.1Å; E26-R45 PolarHBondContact OE1-NH2 3.4Å; E26-R45 VanDerWaalsContact OE1-NH2 3.1Å; E26-R45 IonicContact OE2-CZ 3.21Å; E26-R45 IonicContact OE2-NH1 2.92Å; E26-R45 PolarHBondContact OE2-NH1 3.25Å; E26-R45 IonicContact OE2-NH2 2.82Å; E26-R45 PolarHBondContact OE2-NH2 2.82Å |
| 27 | A | 60.1 | Low | 59.7 | Low | 59 Ų | 59 | 96.7 Ų | 96.7 | 49% | 0.488 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -79.6 | -33.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D23 Q24 E25 | D23-A27 PolarHBondContact O-N 3.42Å; Q24-A27 PolarHBondContact O-N 3.48Å; E25-A27 PolarHBondContact O-N 3.44Å |
| 28 | D | 57.6 | Low | 61.2 | Low | 104 Ų | 104 | 93.5 Ų | 93.5 | 56% | 0.556 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -78.4 | -39.4 | -179.2 | -143.7 | 29.2 | 0 | 0 | 0 | 111.1 | Q24 E25 Q30 Q31 | Q24-D28 PolarHBondContact O-N 3.26Å; E25-D28 PolarHBondContact O-N 3.49Å; D28-Q30 VanDerWaalsContact C-N 3.34Å; D28-Q30 PolarHBondContact O-N 3.24Å; D28-Q31 WeakPolarHBondContact O-CB 3.44Å; D28-Q31 PolarHBondContact O-N 3.19Å |
| 29 | D | 58.5 | Low | 62.7 | Low | 62 Ų | 62 | 94.6 Ų | 94.6 | 33% | 0.332 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -70.9 | -26.8 | 176.9 | -76.2 | -19.1 | 0 | 0 | 0 | 113.2 | E25 Q31 L32 W38 | E25-D29 PolarHBondContact O-N 2.96Å; D29-Q31 PolarHBondContact O-N 3.18Å; D29-L32 PolarHBondContact O-N 3.29Å; D29-W38 HydrophobicContact CB-CE3 4.27Å; D29-W38 HydrophobicContact CB-CH2 3.96Å; D29-W38 HydrophobicContact CB-CZ3 3.38Å |
| 30 | Q | 58.9 | Low | 64.4 | Low | 108 Ų | 108 | 92.2 Ų | 92.2 | 51% | 0.505 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -31.1 | 171 | -92.3 | 172.5 | 61.4 | 0 | 0 | 112.8 | E26 D28 W38 | E26-Q30 VanDerWaalsContact O-CG 3.29Å; E26-Q30 WeakPolarHBondContact O-CG 3.29Å; E26-Q30 PolarHBondContact O-N 3.23Å; E26-Q30 PolarHBondContact O-NE2 2.98Å; D28-Q30 VanDerWaalsContact C-N 3.34Å; D28-Q30 PolarHBondContact O-N 3.24Å; Q30-W38 HydrophobicContact CB-CD2 4.49Å; Q30-W38 HydrophobicContact CB-CZ2 4.42Å; Q30-W38 HydrophobicContact CG-CD2 3.72Å; Q30-W38 HydrophobicContact CG-CE3 4.36Å; Q30-W38 HydrophobicContact CG-CG 4.24Å; Q30-W38 HydrophobicContact CG-CH2 3.96Å; Q30-W38 HydrophobicContact CG-CZ2 3.27Å; Q30-W38 HydrophobicContact CG-CZ3 4.47Å; Q30-W38 VanDerWaalsContact CG-NE1 3.26Å |
| 31 | Q | 60.1 | Low | 65.9 | Low | 170 Ų | 170 | 93.7 Ų | 93.7 | 79% | 0.794 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -12.3 | -174.1 | -148.9 | 170.2 | -110 | 0 | 0 | 112.4 | D28 D29 | D28-Q31 WeakPolarHBondContact O-CB 3.44Å; D28-Q31 PolarHBondContact O-N 3.19Å; D29-Q31 PolarHBondContact O-N 3.18Å |
| 32 | L | 62.2 | Low | 67.4 | Low | 136 Ų | 136 | 90.1 Ų | 90.1 | 71% | 0.712 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | -18.7 | -172.4 | -99.8 | 157.1 | 0 | 0 | 0 | 114.5 | D29 | D29-L32 PolarHBondContact O-N 3.29Š|
| 33 | L | 61.4 | Low | 68.8 | Low | 77 Ų | 77 | 91.9 Ų | 91.9 | 40% | 0.403 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -110.6 | 142.7 | -173.6 | -81.3 | 154.8 | 0 | 0 | 0 | 112.2 | A37 W38 | L33-A37 HydrophobicContact CB-CB 4.38Å; L33-A37 HydrophobicContact CD2-CB 3.77Å; L33-W38 HydrophobicContact CB-CB 4.15Å; L33-W38 HydrophobicContact CD1-CE3 3.92Å; L33-W38 HydrophobicContact CD1-CZ3 4.47Å |
| 34 | E | 77.4 | Confident | 70.2 | Confident | 152 Ų | 152 | 95.6 Ų | 95.6 | 71% | 0.71 | 47% | 0.474 | S | S | * | . | trans | -51.4 | 140.5 | 167.1 | -75.5 | -71.1 | 127.1 | 0 | 0 | 109.7 | E36 A37 W38 | E34-E36 PolarHBondContact O-N 3.37Å; E34-A37 HydrophobicContact CB-CB 4.32Å; E34-A37 WeakPolarHBondContact O-CA 3.42Å; E34-A37 WeakPolarHBondContact O-CB 3.41Å; E34-A37 PolarHBondContact O-N 2.82Å; E34-W38 PolarHBondContact O-N 3Å | ||
| 35 | P | 76.3 | Confident | 71.4 | Confident | 101 Ų | 101 | 90.7 Ų | 90.7 | 66% | 0.656 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -51 | -36.6 | -172.8 | -29.1 | 33.9 | 0 | 0 | 0 | 114.2 | K39 | P35-K39 WeakPolarHBondContact O-CB 3.44Å; P35-K39 PolarHBondContact O-N 3.31Å |
| 36 | E | 78.8 | Confident | 72.5 | Confident | 133 Ų | 133 | 90.8 Ų | 90.8 | 62% | 0.621 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -72 | -35.6 | 178.4 | -144.5 | 69.2 | -144.8 | 0 | 0 | 112.8 | E34 T40 | E34-E36 PolarHBondContact O-N 3.37Å; E36-T40 WeakPolarHBondContact O-CB 3.43Å; E36-T40 PolarHBondContact O-N 3.46Å; E36-T40 PolarHBondContact O-OG1 2.86Å |
| 37 | A | 78.1 | Confident | 73.5 | Confident | 42 Ų | 42 | 91.7 Ų | 91.7 | 35% | 0.347 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -72.1 | -40.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | L33 E34 T40 Y41 | L33-A37 HydrophobicContact CB-CB 4.38Å; L33-A37 HydrophobicContact CD2-CB 3.77Å; E34-A37 HydrophobicContact CB-CB 4.32Å; E34-A37 WeakPolarHBondContact O-CA 3.42Å; E34-A37 WeakPolarHBondContact O-CB 3.41Å; E34-A37 PolarHBondContact O-N 2.82Å; A37-T40 PolarHBondContact O-N 3.1Å; A37-Y41 WeakPolarHBondContact O-CB 3.37Å; A37-Y41 PolarHBondContact O-N 2.92Å |
| 38 | W | 78 | Confident | 74.3 | Confident | 35 Ų | 35 | 92.5 Ų | 92.5 | 13% | 0.133 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -61 | -45.4 | 173 | 180 | -108.5 | 0 | 0 | 0 | 111.9 | E26 D29 Q30 L33 E34 T40 Y41 T42 | E26-W38 WeakPolarHBondContact O-CH2 3.37Å; D29-W38 HydrophobicContact CB-CE3 4.27Å; D29-W38 HydrophobicContact CB-CH2 3.96Å; D29-W38 HydrophobicContact CB-CZ3 3.38Å; Q30-W38 HydrophobicContact CB-CD2 4.49Å; Q30-W38 HydrophobicContact CB-CZ2 4.42Å; Q30-W38 HydrophobicContact CG-CD2 3.72Å; Q30-W38 HydrophobicContact CG-CE3 4.36Å; Q30-W38 HydrophobicContact CG-CG 4.24Å; Q30-W38 HydrophobicContact CG-CH2 3.96Å; Q30-W38 HydrophobicContact CG-CZ2 3.27Å; Q30-W38 HydrophobicContact CG-CZ3 4.47Å; Q30-W38 VanDerWaalsContact CG-NE1 3.26Å; L33-W38 HydrophobicContact CB-CB 4.15Å; L33-W38 HydrophobicContact CD1-CE3 3.92Å; L33-W38 HydrophobicContact CD1-CZ3 4.47Å; E34-W38 PolarHBondContact O-N 3Å; W38-T40 PolarHBondContact O-N 3.31Å; W38-Y41 AromaticContact CE3-CD1 3.91Å; W38-Y41 HydrophobicContact CE3-CD1 3.91Å; W38-Y41 AromaticContact CH2-CD1 3.96Å; W38-Y41 HydrophobicContact CH2-CD1 3.96Å; W38-Y41 AromaticContact CH2-CE1 3.85Å; W38-Y41 HydrophobicContact CH2-CE1 3.85Å; W38-Y41 AromaticContact CZ3-CD1 3.53Å; W38-Y41 HydrophobicContact CZ3-CD1 3.53Å; W38-Y41 AromaticContact CZ3-CE1 3.68Å; W38-Y41 HydrophobicContact CZ3-CE1 3.68Å; W38-Y41 PolarHBondContact O-N 2.76Å; W38-T42 VanDerWaalsContact CE2-OG1 3.29Å; W38-T42 PolarHBondContact NE1-OG1 2.99Å; W38-T42 WeakPolarHBondContact O-CB 3.41Å; W38-T42 PolarHBondContact O-N 3.05Å; W38-T42 PolarHBondContact O-OG1 2.83Å |
| 39 | K | 83.1 | Confident | 75.2 | Confident | 108 Ų | 108 | 93.3 Ų | 93.3 | 47% | 0.47 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -58.1 | -48.7 | 175.5 | -175.2 | -177.5 | 174.5 | -170 | 0 | 111.5 | P35 Y41 T42 E43 | P35-K39 WeakPolarHBondContact O-CB 3.44Å; P35-K39 PolarHBondContact O-N 3.31Å; K39-Y41 VanDerWaalsContact C-N 3.35Å; K39-Y41 PolarHBondContact O-N 2.97Å; K39-T42 PolarHBondContact O-N 2.89Å; K39-E43 VanDerWaalsContact CE-OE1 3.28Å; K39-E43 WeakPolarHBondContact CE-OE1 3.46Å; K39-E43 WeakPolarHBondContact O-CB 3.39Å; K39-E43 WeakPolarHBondContact O-CG 3.39Å; K39-E43 PolarHBondContact O-N 3.27Å |
| 40 | T | 85.1 | Confident | 76.2 | Confident | 49 Ų | 49 | 96.9 Ų | 96.9 | 30% | 0.301 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 178.8 | -58.4 | 0 | 0 | 0 | 0 | 112.2 | E36 A37 W38 R44 | E36-T40 WeakPolarHBondContact O-CB 3.43Å; E36-T40 PolarHBondContact O-N 3.46Å; E36-T40 PolarHBondContact O-OG1 2.86Å; A37-T40 PolarHBondContact O-N 3.1Å; W38-T40 PolarHBondContact O-N 3.31Å; T40-R44 WeakPolarHBondContact O-CB 3.32Å; T40-R44 VanDerWaalsContact O-CG 3.25Å; T40-R44 WeakPolarHBondContact O-CG 3.5Å; T40-R44 PolarHBondContact O-N 2.97Å; T40-R44 VanDerWaalsContact O-N 3.11Å |
| 41 | Y | 81.2 | Confident | 77 | Confident | 98 Ų | 98 | 93.8 Ų | 93.8 | 38% | 0.384 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.3 | -49.1 | 175.2 | 167.6 | -95.9 | 0 | 0 | 0 | 111.1 | A37 W38 K39 E43 R44 R45 | A37-Y41 WeakPolarHBondContact O-CB 3.37Å; A37-Y41 PolarHBondContact O-N 2.92Å; W38-Y41 AromaticContact CE3-CD1 3.91Å; W38-Y41 HydrophobicContact CE3-CD1 3.91Å; W38-Y41 AromaticContact CH2-CD1 3.96Å; W38-Y41 HydrophobicContact CH2-CD1 3.96Å; W38-Y41 AromaticContact CH2-CE1 3.85Å; W38-Y41 HydrophobicContact CH2-CE1 3.85Å; W38-Y41 AromaticContact CZ3-CD1 3.53Å; W38-Y41 HydrophobicContact CZ3-CD1 3.53Å; W38-Y41 AromaticContact CZ3-CE1 3.68Å; W38-Y41 HydrophobicContact CZ3-CE1 3.68Å; W38-Y41 PolarHBondContact O-N 2.76Å; K39-Y41 VanDerWaalsContact C-N 3.35Å; K39-Y41 PolarHBondContact O-N 2.97Å; Y41-E43 PolarHBondContact O-N 2.79Å; Y41-R44 PolarHBondContact O-N 3.27Å; Y41-R45 WeakPolarHBondContact O-CB 3.35Å; Y41-R45 PolarHBondContact O-N 3.17Å |
| 42 | T | 78.9 | Confident | 77.5 | Confident | 28 Ų | 28 | 89.4 Ų | 89.4 | 17% | 0.172 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -60.5 | -44.2 | -179.1 | -54.8 | 0 | 0 | 0 | 0 | 111.4 | W38 K39 R45 N46 | W38-T42 VanDerWaalsContact CE2-OG1 3.29Å; W38-T42 PolarHBondContact NE1-OG1 2.99Å; W38-T42 WeakPolarHBondContact O-CB 3.41Å; W38-T42 PolarHBondContact O-N 3.05Å; W38-T42 PolarHBondContact O-OG1 2.83Å; K39-T42 PolarHBondContact O-N 2.89Å; T42-R45 PolarHBondContact O-N 2.87Å; T42-N46 WeakPolarHBondContact O-CB 3.33Å; T42-N46 PolarHBondContact O-N 3.19Å; T42-N46 PolarHBondContact O-ND2 3.35Å |
| 43 | E | 84.5 | Confident | 78 | Confident | 110 Ų | 110 | 88.2 Ų | 88.2 | 51% | 0.514 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60.2 | -46.5 | 175.3 | -75.2 | 174.9 | -175.1 | 0 | 0 | 111.8 | K39 Y41 N46 A47 | K39-E43 VanDerWaalsContact CE-OE1 3.28Å; K39-E43 WeakPolarHBondContact CE-OE1 3.46Å; K39-E43 WeakPolarHBondContact O-CB 3.39Å; K39-E43 WeakPolarHBondContact O-CG 3.39Å; K39-E43 PolarHBondContact O-N 3.27Å; Y41-E43 PolarHBondContact O-N 2.79Å; E43-N46 PolarHBondContact O-N 3.11Å; E43-A47 WeakPolarHBondContact O-CB 3.47Å; E43-A47 PolarHBondContact O-N 3.42Å |
| 44 | R | 82.8 | Confident | 78.6 | Confident | 185 Ų | 185 | 87.2 Ų | 87.2 | 70% | 0.698 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -65.2 | -41.8 | 178.4 | -72.4 | 174.2 | -176 | -175.9 | 4.6 | 112.1 | T40 Y41 L48 | T40-R44 WeakPolarHBondContact O-CB 3.32Å; T40-R44 VanDerWaalsContact O-CG 3.25Å; T40-R44 WeakPolarHBondContact O-CG 3.5Å; T40-R44 PolarHBondContact O-N 2.97Å; T40-R44 VanDerWaalsContact O-N 3.11Å; Y41-R44 PolarHBondContact O-N 3.27Å; R44-L48 WeakPolarHBondContact O-CB 3.36Å; R44-L48 PolarHBondContact O-N 2.92Å |
| 45 | R | 80.6 | Confident | 78.1 | Confident | 50 Ų | 50 | 87.4 Ų | 87.4 | 19% | 0.189 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -62.5 | -46.3 | 177 | -177.1 | -163.5 | 69.9 | -168.7 | 16.3 | 111 | E26 Y41 T42 L48 R49 | E26-R45 VanDerWaalsContact CD-NH2 3.27Å; E26-R45 IonicContact OE1-CZ 2.98Å; E26-R45 IonicContact OE1-NE 3.59Å; E26-R45 IonicContact OE1-NH1 3Å; E26-R45 PolarHBondContact OE1-NH1 2.86Å; E26-R45 IonicContact OE1-NH2 3.1Å; E26-R45 PolarHBondContact OE1-NH2 3.4Å; E26-R45 VanDerWaalsContact OE1-NH2 3.1Å; E26-R45 IonicContact OE2-CZ 3.21Å; E26-R45 IonicContact OE2-NH1 2.92Å; E26-R45 PolarHBondContact OE2-NH1 3.25Å; E26-R45 IonicContact OE2-NH2 2.82Å; E26-R45 PolarHBondContact OE2-NH2 2.82Å; Y41-R45 WeakPolarHBondContact O-CB 3.35Å; Y41-R45 PolarHBondContact O-N 3.17Å; T42-R45 PolarHBondContact O-N 2.87Å; R45-L48 WeakPolarHBondContact O-CB 3.28Å; R45-L48 PolarHBondContact O-N 3.45Å; R45-R49 WeakPolarHBondContact O-CB 3.38Å; R45-R49 PolarHBondContact O-N 2.9Å |
| 46 | N | 79.8 | Confident | 77.7 | Confident | 63 Ų | 63 | 84.8 Ų | 84.8 | 34% | 0.337 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.5 | -45.2 | 179.4 | -69.4 | -13.3 | 0 | 0 | 0 | 111.3 | T42 E43 L48 R49 E50 | T42-N46 WeakPolarHBondContact O-CB 3.33Å; T42-N46 PolarHBondContact O-N 3.19Å; T42-N46 PolarHBondContact O-ND2 3.35Å; E43-N46 PolarHBondContact O-N 3.11Å; N46-L48 VanDerWaalsContact C-N 3.26Å; N46-L48 PolarHBondContact O-N 3.36Å; N46-R49 PolarHBondContact O-N 3.27Å; N46-R49 VanDerWaalsContact O-N 3.12Å; N46-E50 WeakPolarHBondContact O-CB 3.5Å; N46-E50 WeakPolarHBondContact O-CG 3.25Å; N46-E50 PolarHBondContact O-N 3.44Å |
| 47 | A | 80.4 | Confident | 77.5 | Confident | 56 Ų | 56 | 80.2 Ų | 80.2 | 46% | 0.463 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.2 | -36.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E43 F51 | E43-A47 WeakPolarHBondContact O-CB 3.47Å; E43-A47 PolarHBondContact O-N 3.42Å; A47-F51 WeakPolarHBondContact O-CB 3.46Å; A47-F51 PolarHBondContact O-N 3.02Å |
| 48 | L | 77.8 | Confident | 77 | Confident | 75 Ų | 75 | 82.3 Ų | 82.3 | 39% | 0.393 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.8 | -45.6 | 174.3 | -169.4 | 66.4 | 0 | 0 | 0 | 111.3 | R44 R45 N46 F51 L52 L71 | R44-L48 WeakPolarHBondContact O-CB 3.36Å; R44-L48 PolarHBondContact O-N 2.92Å; R45-L48 WeakPolarHBondContact O-CB 3.28Å; R45-L48 PolarHBondContact O-N 3.45Å; N46-L48 VanDerWaalsContact C-N 3.26Å; N46-L48 PolarHBondContact O-N 3.36Å; L48-F51 WeakPolarHBondContact O-CB 3.47Å; L48-F51 PolarHBondContact O-N 2.93Å; L48-L52 HydrophobicContact CG-CD1 4.17Å; L48-L52 VanDerWaalsContact O-CG 3.26Å; L48-L52 WeakPolarHBondContact O-CG 3.34Å; L48-L52 PolarHBondContact O-N 2.68Å; L48-L71 HydrophobicContact CD1-CD1 3.68Å; L48-L71 HydrophobicContact CD2-CD1 4.08Å; L48-L71 HydrophobicContact CG-CD1 4.17Å |
| 49 | R | 74.9 | Confident | 76.8 | Confident | 122 Ų | 122 | 87.7 Ų | 87.7 | 46% | 0.46 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.6 | -46 | 179.3 | -170.8 | 173.2 | 176.9 | 172 | -0.5 | 111.1 | R45 N46 F51 L52 T53 | R45-R49 WeakPolarHBondContact O-CB 3.38Å; R45-R49 PolarHBondContact O-N 2.9Å; N46-R49 PolarHBondContact O-N 3.27Å; N46-R49 VanDerWaalsContact O-N 3.12Å; R49-F51 VanDerWaalsContact C-N 3.32Å; R49-F51 PolarHBondContact O-N 3.29Å; R49-L52 PolarHBondContact O-N 2.8Å; R49-L52 VanDerWaalsContact O-N 3.12Å; R49-T53 HydrophobicContact CG-CG2 4.48Å; R49-T53 WeakPolarHBondContact O-CG2 3.47Å; R49-T53 PolarHBondContact O-N 3.26Å; R49-T53 PolarHBondContact O-OG1 2.95Å |
| 50 | E | 80.3 | Confident | 76.1 | Confident | 136 Ų | 136 | 86.7 Ų | 86.7 | 64% | 0.636 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -57.2 | -44.6 | 173.8 | -74.6 | 176.3 | -172.4 | 0 | 0 | 111.9 | N46 L52 T53 S54 | N46-E50 WeakPolarHBondContact O-CB 3.5Å; N46-E50 WeakPolarHBondContact O-CG 3.25Å; N46-E50 PolarHBondContact O-N 3.44Å; E50-L52 PolarHBondContact O-N 3.23Å; E50-T53 WeakPolarHBondContact CA-OG1 3.26Å; E50-T53 PolarHBondContact O-N 3.26Å; E50-T53 PolarHBondContact O-OG1 3.43Å; E50-S54 WeakPolarHBondContact O-CB 3.47Å; E50-S54 PolarHBondContact O-N 2.84Å |
| 51 | F | 74.7 | Confident | 75.4 | Confident | 44 Ų | 44 | 86.4 Ų | 86.4 | 19% | 0.193 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -60.2 | -45.1 | 174.5 | 176 | -100.7 | 0 | 0 | 0 | 111.6 | A47 L48 R49 S54 L56 L61 | A47-F51 WeakPolarHBondContact O-CB 3.46Å; A47-F51 PolarHBondContact O-N 3.02Å; L48-F51 WeakPolarHBondContact O-CB 3.47Å; L48-F51 PolarHBondContact O-N 2.93Å; R49-F51 VanDerWaalsContact C-N 3.32Å; R49-F51 PolarHBondContact O-N 3.29Å; F51-S54 PolarHBondContact O-N 2.85Å; F51-S54 PolarHBondContact O-OG 3.49Å; F51-L56 HydrophobicContact CD2-CD2 4.36Å; F51-L56 HydrophobicContact CE1-CD2 4.18Å; F51-L56 HydrophobicContact CE2-CD2 3.97Å; F51-L56 HydrophobicContact CZ-CD2 3.87Å; F51-L56 WeakPolarHBondContact O-CD2 3.49Å; F51-L56 WeakPolarHBondContact O-CG 3.43Å; F51-L61 HydrophobicContact CZ-CD2 4.46Å |
| 52 | L | 72.2 | Confident | 74.9 | Confident | 78 Ų | 78 | 89.3 Ų | 89.3 | 41% | 0.408 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -69 | -32 | -179.5 | -67.7 | 173.7 | 0 | 0 | 0 | 113.8 | L48 R49 E50 L71 | L48-L52 HydrophobicContact CG-CD1 4.17Å; L48-L52 VanDerWaalsContact O-CG 3.26Å; L48-L52 WeakPolarHBondContact O-CG 3.34Å; L48-L52 PolarHBondContact O-N 2.68Å; R49-L52 PolarHBondContact O-N 2.8Å; R49-L52 VanDerWaalsContact O-N 3.12Å; E50-L52 PolarHBondContact O-N 3.23Å; L52-L71 HydrophobicContact CD1-CD1 4.35Å; L52-L71 HydrophobicContact CD2-CD1 4.21Å; L52-L71 HydrophobicContact CD2-CD2 3.61Å |
| 53 | T | 71.2 | Confident | 74.9 | Confident | 110 Ų | 110 | 98 Ų | 98 | 68% | 0.675 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -87.9 | -8.7 | 177.4 | 55.5 | 0 | 0 | 0 | 0 | 113.6 | R49 E50 | R49-T53 HydrophobicContact CG-CG2 4.48Å; R49-T53 WeakPolarHBondContact O-CG2 3.47Å; R49-T53 PolarHBondContact O-N 3.26Å; R49-T53 PolarHBondContact O-OG1 2.95Å; E50-T53 WeakPolarHBondContact CA-OG1 3.26Å; E50-T53 PolarHBondContact O-N 3.26Å; E50-T53 PolarHBondContact O-OG1 3.43Å |
| 54 | S | 74.2 | Confident | 74.4 | Confident | 56 Ų | 56 | 95 Ų | 95 | 39% | 0.392 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -67.9 | 163.5 | 173.9 | 74.5 | 0 | 0 | 0 | 0 | 111.2 | E50 F51 L56 | E50-S54 WeakPolarHBondContact O-CB 3.47Å; E50-S54 PolarHBondContact O-N 2.84Å; F51-S54 PolarHBondContact O-N 2.85Å; F51-S54 PolarHBondContact O-OG 3.49Å; S54-L56 WeakPolarHBondContact O-CG 3.41Å; S54-L56 PolarHBondContact O-N 3.12Å |
| 55 | D | 67.7 | Low | 73.9 | Confident | 156 Ų | 156 | 91.6 Ų | 91.6 | 83% | 0.834 | 46% | 0.459 | S | S | * | . | trans | -70.9 | 84.9 | 177 | -161.3 | -1.9 | 0 | 0 | 0 | 110 | S57 | D55-S57 VanDerWaalsContact C-N 3.28Å; D55-S57 PolarHBondContact O-N 2.9Å | ||
| 56 | L | 68.6 | Low | 73.8 | Confident | 46 Ų | 46 | 93 Ų | 93 | 24% | 0.241 | 48% | 0.482 | C | S | . | . | trans | -77.5 | 76.7 | -174.9 | -72.2 | 178.6 | 0 | 0 | 0 | 110.2 | F51 S54 L61 | F51-L56 HydrophobicContact CD2-CD2 4.36Å; F51-L56 HydrophobicContact CE1-CD2 4.18Å; F51-L56 HydrophobicContact CE2-CD2 3.97Å; F51-L56 HydrophobicContact CZ-CD2 3.87Å; F51-L56 WeakPolarHBondContact O-CD2 3.49Å; F51-L56 WeakPolarHBondContact O-CG 3.43Å; S54-L56 WeakPolarHBondContact O-CG 3.41Å; S54-L56 PolarHBondContact O-N 3.12Å; L56-L61 HydrophobicContact CB-CD1 4.29Å; L56-L61 HydrophobicContact CB-CD2 4.1Å; L56-L61 HydrophobicContact CB-CG 4.24Å; L56-L61 HydrophobicContact CD1-CD2 4.22Å; L56-L61 HydrophobicContact CD2-CD2 3.79Å; L56-L61 HydrophobicContact CG-CD2 4.26Å | ||
| 57 | S | 73.2 | Confident | 73.5 | Confident | 37 Ų | 37 | 97.8 Ų | 97.8 | 26% | 0.259 | 50% | 0.495 | S | S | . | . | trans | -63.4 | 145.5 | 172.9 | 81.1 | 0 | 0 | 0 | 0 | 110.9 | D55 H59 L60 L61 | D55-S57 VanDerWaalsContact C-N 3.28Å; D55-S57 PolarHBondContact O-N 2.9Å; S57-H59 PolarHBondContact O-N 3.42Å; S57-L60 PolarHBondContact O-N 3.25Å; S57-L60 PolarHBondContact OG-N 3.31Å; S57-L61 WeakPolarHBondContact O-CG 3.44Å; S57-L61 PolarHBondContact O-N 3.07Å | ||
| 58 | P | 68.3 | Low | 73.2 | Confident | 87 Ų | 87 | 98 Ų | 98 | 57% | 0.565 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -54.4 | -26.9 | 176.5 | -26.8 | 33.6 | 0 | 0 | 0 | 113.7 | K62 | P58-K62 VanDerWaalsContact O-CG 3.3Å; P58-K62 WeakPolarHBondContact O-CG 3.43Å; P58-K62 PolarHBondContact O-N 2.97Å; P58-K62 VanDerWaalsContact O-N 3.17Å |
| 59 | H | 72.8 | Confident | 73.2 | Confident | 147 Ų | 147 | 98 Ų | 98 | 68% | 0.681 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -73.1 | -40.5 | 177.3 | -65.6 | 89.6 | 0 | 0 | 0 | 112.2 | S57 K62 R63 | S57-H59 PolarHBondContact O-N 3.42Å; H59-K62 PolarHBondContact O-N 2.84Å; H59-R63 PolarHBondContact O-N 3.12Å |
| 60 | L | 68.4 | Low | 73.3 | Confident | 88 Ų | 88 | 97.3 Ų | 97.3 | 46% | 0.461 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.3 | -40.3 | 173.8 | -103.1 | 118.7 | 0 | 0 | 0 | 111.6 | S57 K62 R63 H64 | S57-L60 PolarHBondContact O-N 3.25Å; S57-L60 PolarHBondContact OG-N 3.31Å; L60-K62 VanDerWaalsContact C-N 3.3Å; L60-K62 PolarHBondContact O-N 3.05Å; L60-R63 WeakPolarHBondContact O-CB 3.43Å; L60-R63 PolarHBondContact O-N 3.41Å; L60-R63 VanDerWaalsContact O-N 3.08Å; L60-H64 PolarHBondContact O-CD2 3Å; L60-H64 PolarHBondContact O-N 3.29Å |
| 61 | L | 70.8 | Confident | 73 | Confident | 43 Ų | 43 | 92.5 Ų | 92.5 | 23% | 0.225 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -61.3 | -38.5 | 176.8 | -67.4 | 178.1 | 0 | 0 | 0 | 112.3 | F51 L56 S57 R63 H64 H65 M68 | F51-L61 HydrophobicContact CZ-CD2 4.46Å; L56-L61 HydrophobicContact CB-CD1 4.29Å; L56-L61 HydrophobicContact CB-CD2 4.1Å; L56-L61 HydrophobicContact CB-CG 4.24Å; L56-L61 HydrophobicContact CD1-CD2 4.22Å; L56-L61 HydrophobicContact CD2-CD2 3.79Å; L56-L61 HydrophobicContact CG-CD2 4.26Å; S57-L61 WeakPolarHBondContact O-CG 3.44Å; S57-L61 PolarHBondContact O-N 3.07Å; L61-R63 VanDerWaalsContact C-N 3.31Å; L61-R63 PolarHBondContact O-N 3.01Å; L61-H64 CarbonylContact O-C 3.54Å; L61-H64 PolarHBondContact O-N 3Å; L61-H65 PolarHBondContact O-N 3.42Å; L61-M68 HydrophobicContact CD2-CE 4.03Å; L61-M68 HydrophobicContact CD2-CG 4.14Å; L61-M68 HydrophobicContact CD2-SD 3.6Å; L61-M68 VanDerWaalsContact CD2-SD 3.6Å |
| 62 | K | 71.7 | Confident | 72.8 | Confident | 158 Ų | 158 | 99 Ų | 99 | 69% | 0.687 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.1 | -37.9 | 173.3 | -78.1 | 175.2 | -177.6 | -178.5 | 0 | 112.5 | P58 H59 L60 H64 | P58-K62 VanDerWaalsContact O-CG 3.3Å; P58-K62 WeakPolarHBondContact O-CG 3.43Å; P58-K62 PolarHBondContact O-N 2.97Å; P58-K62 VanDerWaalsContact O-N 3.17Å; H59-K62 PolarHBondContact O-N 2.84Å; L60-K62 VanDerWaalsContact C-N 3.3Å; L60-K62 PolarHBondContact O-N 3.05Å; K62-H64 VanDerWaalsContact C-N 3.27Å; K62-H64 PolarHBondContact O-N 2.88Å |
| 63 | R | 78.4 | Confident | 73 | Confident | 210 Ų | 210 | 102.1 Ų | 102.1 | 79% | 0.792 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.4 | -30.2 | 176.7 | -174.9 | 176.6 | 178.1 | 157.7 | -1.1 | 112.3 | H59 L60 L61 | H59-R63 PolarHBondContact O-N 3.12Å; L60-R63 WeakPolarHBondContact O-CB 3.43Å; L60-R63 PolarHBondContact O-N 3.41Å; L60-R63 VanDerWaalsContact O-N 3.08Å; L61-R63 VanDerWaalsContact C-N 3.31Å; L61-R63 PolarHBondContact O-N 3.01Å |
| 64 | H | 74.1 | Confident | 72.8 | Confident | 49 Ų | 49 | 99.5 Ų | 99.5 | 23% | 0.227 | 49% | 0.487 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 34.7 | -177.4 | -62.2 | -66.1 | 0 | 0 | 0 | 113.2 | L60 L61 K62 A66 R67 M68 | L60-H64 PolarHBondContact O-CD2 3Å; L60-H64 PolarHBondContact O-N 3.29Å; L61-H64 CarbonylContact O-C 3.54Å; L61-H64 PolarHBondContact O-N 3Å; K62-H64 VanDerWaalsContact C-N 3.27Å; K62-H64 PolarHBondContact O-N 2.88Å; H64-A66 VanDerWaalsContact C-N 3.3Å; H64-A66 PolarHBondContact O-N 2.82Å; H64-R67 HydrophobicContact CB-CB 4.43Å; H64-R67 PolarHBondContact O-N 3.4Å; H64-M68 PolarHBondContact O-N 2.77Å |
| 65 | H | 72.3 | Confident | 72.4 | Confident | 112 Ų | 112 | 98.5 Ų | 98.5 | 52% | 0.519 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -53.3 | -40.8 | -175 | -173.7 | -97.6 | 0 | 0 | 0 | 113.9 | L61 R67 M68 Q69 | L61-H65 PolarHBondContact O-N 3.42Å; H65-R67 PolarHBondContact O-N 3.02Å; H65-M68 PolarHBondContact O-N 3.37Å; H65-Q69 PolarHBondContact CE1-NE2 3.47Å; H65-Q69 PolarHBondContact NE2-NE2 2.9Å; H65-Q69 VanDerWaalsContact O-CG 3.32Å; H65-Q69 WeakPolarHBondContact O-CG 3.39Å; H65-Q69 PolarHBondContact O-N 2.69Å |
| 66 | A | 77.6 | Confident | 72.1 | Confident | 81 Ų | 81 | 98.4 Ų | 98.4 | 67% | 0.669 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -64 | -39.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | H64 Q69 L70 | H64-A66 VanDerWaalsContact C-N 3.3Å; H64-A66 PolarHBondContact O-N 2.82Å; A66-Q69 PolarHBondContact O-N 3.26Å; A66-L70 WeakPolarHBondContact O-CB 3.44Å; A66-L70 PolarHBondContact O-N 3.28Å |
| 67 | R | 73.3 | Confident | 71.5 | Confident | 163 Ų | 163 | 104.6 Ų | 104.6 | 62% | 0.615 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -69.6 | -36.6 | 176 | -67.5 | -178.3 | -180 | 175 | -3 | 111.1 | H64 H65 L70 L71 | H64-R67 HydrophobicContact CB-CB 4.43Å; H64-R67 PolarHBondContact O-N 3.4Å; H65-R67 PolarHBondContact O-N 3.02Å; R67-L70 PolarHBondContact O-N 2.98Å; R67-L71 VanDerWaalsContact O-CB 3.28Å; R67-L71 WeakPolarHBondContact O-CB 3.38Å; R67-L71 PolarHBondContact O-N 3.47Å |
| 68 | M | 76 | Confident | 70.6 | Confident | 61 Ų | 61 | 107.9 Ų | 107.9 | 30% | 0.3 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.8 | -40.8 | 174.4 | -75.5 | -61.8 | -72 | 0 | 0 | 112.9 | L61 H64 H65 L71 R72 | L61-M68 HydrophobicContact CD2-CE 4.03Å; L61-M68 HydrophobicContact CD2-CG 4.14Å; L61-M68 HydrophobicContact CD2-SD 3.6Å; L61-M68 VanDerWaalsContact CD2-SD 3.6Å; H64-M68 PolarHBondContact O-N 2.77Å; H65-M68 PolarHBondContact O-N 3.37Å; M68-L71 PolarHBondContact O-N 3.01Å; M68-L71 HydrophobicContact SD-CD2 4.22Å; M68-R72 WeakPolarHBondContact O-CB 3.48Å; M68-R72 PolarHBondContact O-N 3.18Å |
| 69 | Q | 77.1 | Confident | 69.5 | Low | 74 Ų | 74 | 111.3 Ų | 111.3 | 35% | 0.346 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.6 | -39.8 | 175.4 | -71.4 | -67.5 | -23 | 0 | 0 | 111.6 | H65 A66 R72 K73 | H65-Q69 PolarHBondContact CE1-NE2 3.47Å; H65-Q69 PolarHBondContact NE2-NE2 2.9Å; H65-Q69 VanDerWaalsContact O-CG 3.32Å; H65-Q69 WeakPolarHBondContact O-CG 3.39Å; H65-Q69 PolarHBondContact O-N 2.69Å; A66-Q69 PolarHBondContact O-N 3.26Å; Q69-R72 PolarHBondContact O-N 3.48Å; Q69-K73 WeakPolarHBondContact O-CG 3.45Å; Q69-K73 PolarHBondContact O-N 3Å |
| 70 | L | 75.7 | Confident | 68.1 | Low | 108 Ų | 108 | 109.6 Ų | 109.6 | 57% | 0.565 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.1 | -49 | 173.4 | -175.3 | 65.4 | 0 | 0 | 0 | 110.8 | A66 R67 R72 K73 C74 | A66-L70 WeakPolarHBondContact O-CB 3.44Å; A66-L70 PolarHBondContact O-N 3.28Å; R67-L70 PolarHBondContact O-N 2.98Å; L70-R72 VanDerWaalsContact C-N 3.25Å; L70-R72 PolarHBondContact O-N 2.97Å; L70-K73 CarbonylContact O-C 3.44Å; L70-K73 WeakPolarHBondContact O-CB 3.33Å; L70-K73 PolarHBondContact O-N 3.03Å; L70-C74 WeakPolarHBondContact O-CB 3.28Å; L70-C74 PolarHBondContact O-N 3.18Å; L70-C74 PolarHBondContact O-SG 2.92Å |
| 71 | L | 74.2 | Confident | 66.6 | Low | 34 Ų | 34 | 112.8 Ų | 112.8 | 18% | 0.178 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -55.7 | -42 | 176.4 | -173.7 | 83.6 | 0 | 0 | 0 | 111.3 | L48 L52 R67 M68 C74 S75 | L48-L71 HydrophobicContact CD1-CD1 3.68Å; L48-L71 HydrophobicContact CD2-CD1 4.08Å; L48-L71 HydrophobicContact CG-CD1 4.17Å; L52-L71 HydrophobicContact CD1-CD1 4.35Å; L52-L71 HydrophobicContact CD2-CD1 4.21Å; L52-L71 HydrophobicContact CD2-CD2 3.61Å; R67-L71 VanDerWaalsContact O-CB 3.28Å; R67-L71 WeakPolarHBondContact O-CB 3.38Å; R67-L71 PolarHBondContact O-N 3.47Å; M68-L71 PolarHBondContact O-N 3.01Å; M68-L71 HydrophobicContact SD-CD2 4.22Å; L71-C74 CarbonylContact O-C 3.58Å; L71-C74 PolarHBondContact O-N 3.44Å; L71-S75 WeakPolarHBondContact O-CB 3.48Å; L71-S75 PolarHBondContact O-N 3.41Å |
| 72 | R | 72.2 | Confident | 66.4 | Low | 181 Ų | 181 | 116.3 Ų | 116.3 | 68% | 0.683 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -68.3 | -33.2 | 177.6 | -159.9 | 178.6 | -166.4 | -177 | 3.5 | 113.1 | M68 Q69 L70 S75 | M68-R72 WeakPolarHBondContact O-CB 3.48Å; M68-R72 PolarHBondContact O-N 3.18Å; Q69-R72 PolarHBondContact O-N 3.48Å; L70-R72 VanDerWaalsContact C-N 3.25Å; L70-R72 PolarHBondContact O-N 2.97Å; R72-S75 PolarHBondContact O-OG 3.5Å |
| 73 | K | 75.3 | Confident | 66.1 | Low | 143 Ų | 143 | 114.1 Ų | 114.1 | 62% | 0.622 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -71.3 | -36.5 | 171.4 | -72.5 | 175.8 | -179.7 | -175.1 | 0 | 111.3 | Q69 L70 Y76 Y77 | Q69-K73 WeakPolarHBondContact O-CG 3.45Å; Q69-K73 PolarHBondContact O-N 3Å; L70-K73 CarbonylContact O-C 3.44Å; L70-K73 WeakPolarHBondContact O-CB 3.33Å; L70-K73 PolarHBondContact O-N 3.03Å; K73-Y76 WeakPolarHBondContact O-CB 3.32Å; K73-Y77 WeakPolarHBondContact O-CD2 3.35Å |
| 74 | C | 66.6 | Low | 65.4 | Low | 55 Ų | 55 | 108.7 Ų | 108.7 | 37% | 0.372 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -73.5 | -32.1 | 175 | -65.6 | 0 | 0 | 0 | 0 | 111.7 | L70 L71 Y76 Y77 I78 | L70-C74 WeakPolarHBondContact O-CB 3.28Å; L70-C74 PolarHBondContact O-N 3.18Å; L70-C74 PolarHBondContact O-SG 2.92Å; L71-C74 CarbonylContact O-C 3.58Å; L71-C74 PolarHBondContact O-N 3.44Å; C74-Y76 PolarHBondContact O-N 3.17Å; C74-Y77 WeakPolarHBondContact O-CA 3.32Å; C74-Y77 WeakPolarHBondContact O-CB 3.5Å; C74-Y77 PolarHBondContact O-N 3.42Å; C74-I78 WeakPolarHBondContact O-CG1 3.5Å; C74-I78 PolarHBondContact O-N 3.22Å; C74-I78 VanDerWaalsContact O-N 3.17Å |
| 75 | S | 67.1 | Low | 64.9 | Low | 35 Ų | 35 | 112.2 Ų | 112.2 | 25% | 0.245 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -64.6 | -29.8 | 179.2 | 75.1 | 0 | 0 | 0 | 0 | 111.4 | L71 R72 Y77 I78 E79 | L71-S75 WeakPolarHBondContact O-CB 3.48Å; L71-S75 PolarHBondContact O-N 3.41Å; R72-S75 PolarHBondContact O-OG 3.5Å; S75-Y77 PolarHBondContact O-N 3.26Å; S75-I78 CarbonylContact O-C 3.47Å; S75-I78 WeakPolarHBondContact O-CA 3.47Å; S75-I78 PolarHBondContact O-N 3.38Å; S75-E79 PolarHBondContact O-N 3.08Å |
| 76 | Y | 61.3 | Low | 64.4 | Low | 155 Ų | 155 | 112.3 Ų | 112.3 | 61% | 0.608 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -56.2 | -34.5 | 168.9 | 179.5 | -96.3 | 0 | 0 | 0 | 112.6 | K73 C74 V80 | K73-Y76 WeakPolarHBondContact O-CB 3.32Å; C74-Y76 PolarHBondContact O-N 3.17Å; Y76-V80 VanDerWaalsContact O-CG2 3.32Å; Y76-V80 WeakPolarHBondContact O-CG2 3.3Å |
| 77 | Y | 54.7 | Low | 63.5 | Low | 176 Ų | 176 | 114.3 Ų | 114.3 | 69% | 0.69 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -83.7 | -16.5 | 175.6 | -65.7 | -82.9 | 0 | 0 | 0 | 113 | K73 C74 S75 | K73-Y77 WeakPolarHBondContact O-CD2 3.35Å; C74-Y77 WeakPolarHBondContact O-CA 3.32Å; C74-Y77 WeakPolarHBondContact O-CB 3.5Å; C74-Y77 PolarHBondContact O-N 3.42Å; S75-Y77 PolarHBondContact O-N 3.26Å |
| 78 | I | 54.5 | Low | 62.8 | Low | 105 Ų | 105 | 110.9 Ų | 110.9 | 54% | 0.538 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -89.1 | -32.3 | 177 | -59.3 | 169.7 | 0 | 0 | 0 | 110.8 | C74 S75 V80 L81 | C74-I78 WeakPolarHBondContact O-CG1 3.5Å; C74-I78 PolarHBondContact O-N 3.22Å; C74-I78 VanDerWaalsContact O-N 3.17Å; S75-I78 CarbonylContact O-C 3.47Å; S75-I78 WeakPolarHBondContact O-CA 3.47Å; S75-I78 PolarHBondContact O-N 3.38Å; I78-V80 PolarHBondContact O-N 3.38Å; I78-L81 PolarHBondContact O-N 3.22Å |
| 79 | E | 45 | Very low | 61.8 | Low | 160 Ų | 160 | 114.7 Ų | 114.7 | 75% | 0.748 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -1.4 | 174.9 | -75.4 | 179.4 | -176.1 | 0 | 0 | 113.7 | S75 | S75-E79 PolarHBondContact O-N 3.08Š|
| 80 | V | 43 | Very low | 60.5 | Low | 110 Ų | 110 | 118.1 Ų | 118.1 | 67% | 0.667 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -4.7 | 174.5 | 173.3 | 0 | 0 | 0 | 0 | 112 | Y76 I78 | Y76-V80 VanDerWaalsContact O-CG2 3.32Å; Y76-V80 WeakPolarHBondContact O-CG2 3.3Å; I78-V80 PolarHBondContact O-N 3.38Å |
| 81 | L | 37.1 | Very low | 59.2 | Low | 155 Ų | 155 | 119 Ų | 119 | 81% | 0.812 | 56% | 0.56 | S | S | * | * | trans | -101.4 | 0 | 173.6 | -70.7 | 167.5 | 0 | 0 | 0 | 111.9 | F21 E25 I78 | F21-L81 HydrophobicContact CE1-CB 4.25Å; F21-L81 HydrophobicContact CZ-CB 4.45Å; E25-L81 WeakPolarHBondContact OE1-CD1 3.24Å; E25-L81 WeakPolarHBondContact OE1-CD2 3.39Å; I78-L81 PolarHBondContact O-N 3.22Å |
Retrieved 81 of 81 residues in 137.5 ms
(Link to these results)