| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 48.7 | Very low | 51.3 | Low | 246 Ų | 246 | 143.8 Ų | 143.8 | 100% | 1.212 | 83% | 0.831 | S | S | * | * | 0 | 94.9 | 0 | -65.5 | -165.8 | -177.2 | 0 | 0 | 108.6 | |||||
| 2 | A | 46.4 | Very low | 50.6 | Low | 102 Ų | 102 | 137.2 Ų | 137.2 | 84% | 0.843 | 82% | 0.817 | S | S | * | * | trans | -119.3 | 95.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 3 | T | 57.3 | Low | 50.3 | Low | 135 Ų | 135 | 144.8 Ų | 144.8 | 83% | 0.828 | 82% | 0.823 | S | S | * | * | trans | -81.7 | 137.9 | 177.8 | -1.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 4 | N | 52.5 | Low | 50.2 | Low | 135 Ų | 135 | 144.9 Ų | 144.9 | 72% | 0.722 | 83% | 0.828 | S | S | * | * | trans | -57.8 | 149.6 | -168.1 | -55.4 | -62.8 | 0 | 0 | 0 | 115.4 | ||||
| 5 | C | 51.9 | Low | 50.1 | Low | 143 Ų | 143 | 140.1 Ų | 140.1 | 97% | 0.966 | 82% | 0.822 | S | S | * | * | trans | -117.8 | 88.5 | 139.4 | -109.4 | 0 | 0 | 0 | 0 | 107.9 | L7 | C5-L7 PolarHBondContact O-N 3.47Š| ||
| 6 | T | 55 | Low | 50.3 | Low | 103 Ų | 103 | 141.5 Ų | 141.5 | 63% | 0.632 | 82% | 0.819 | S | S | * | * | trans | -70.5 | 111.7 | 171.1 | -54.5 | 0 | 0 | 0 | 0 | 108.7 | V8 | T6-V8 HydrophobicContact CG2-CG2 3.59Å; T6-V8 PolarHBondContact O-N 3.35Å | ||
| 7 | L | 57.6 | Low | 50.5 | Low | 169 Ų | 169 | 143.5 Ų | 143.5 | 89% | 0.885 | 82% | 0.819 | S | S | * | * | trans | -88.9 | 93.2 | 162.7 | -170.9 | 116.3 | 0 | 0 | 0 | 107.5 | C5 | C5-L7 PolarHBondContact O-N 3.47Š| ||
| 8 | V | 48.5 | Very low | 51 | Low | 119 Ų | 119 | 144.8 Ų | 144.8 | 72% | 0.721 | 81% | 0.813 | S | S | * | * | trans | -76.6 | 121.3 | 163 | -178.2 | 0 | 0 | 0 | 0 | 107.2 | T6 | T6-V8 HydrophobicContact CG2-CG2 3.59Å; T6-V8 PolarHBondContact O-N 3.35Å | ||
| 9 | G | 47 | Very low | 52 | Low | 69 Ų | 69 | 148.5 Ų | 148.5 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | trans | -159.4 | 84.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 10 | E | 52 | Low | 53.6 | Low | 163 Ų | 163 | 147.9 Ų | 147.9 | 76% | 0.762 | 82% | 0.815 | S | S | * | * | trans | -70 | 142.7 | 177.5 | -94.2 | 177.7 | 74.8 | 0 | 0 | 113.3 | ||||
| 11 | K | 46.9 | Very low | 55.1 | Low | 198 Ų | 198 | 151.3 Ų | 151.3 | 86% | 0.861 | 82% | 0.815 | S | S | * | * | trans | 43.8 | 113.4 | 148.8 | -79.9 | 176.3 | 173.7 | 167.3 | 0 | 120 | ||||
| 12 | G | 43.8 | Very low | 57 | Low | 64 Ų | 64 | 145.9 Ų | 145.9 | 66% | 0.66 | 79% | 0.787 | S | S | * | * | trans | -172.3 | 116.3 | 154.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 13 | R | 47 | Very low | 59.3 | Low | 237 Ų | 237 | 146.3 Ų | 146.3 | 89% | 0.894 | 78% | 0.779 | S | S | * | * | trans | -73.7 | 145.2 | -174.3 | -62.8 | 173.8 | -178.5 | 169.2 | -0.9 | 111.1 | ||||
| 14 | T | 48.2 | Very low | 61.1 | Low | 146 Ų | 146 | 143 Ų | 143 | 90% | 0.896 | 75% | 0.752 | S | S | * | * | S | Bend | trans | 54.6 | 108 | 151.3 | 56.7 | 0 | 0 | 0 | 0 | 118.3 | ||
| 15 | G | 49.2 | Very low | 63.3 | Low | 72 Ų | 72 | 139.8 Ų | 139.8 | 74% | 0.742 | 74% | 0.74 | S | S | * | * | S | Bend | trans | 121.3 | 112.1 | 162 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q17 | G15-Q17 PolarHBondContact O-N 3.41Š|
| 16 | E | 52.4 | Low | 65.4 | Low | 163 Ų | 163 | 137.8 Ų | 137.8 | 76% | 0.762 | 73% | 0.728 | S | S | * | * | trans | 48.3 | 62.8 | 160.1 | -162.5 | 124.4 | 95.5 | 0 | 0 | 117.1 | K18 | E16-K18 HydrophobicContact CG-CD 4.46Å; E16-K18 HydrophobicContact CG-CG 4.29Å; E16-K18 PolarHBondContact O-N 3.4Å | ||
| 17 | Q | 54.4 | Low | 67.5 | Low | 175 Ų | 175 | 137.6 Ų | 137.6 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | trans | -70.8 | 76.6 | 163 | -70 | 179.9 | -13.9 | 0 | 0 | 109.6 | G15 R19 | G15-Q17 PolarHBondContact O-N 3.41Å; Q17-R19 VanDerWaalsContact C-N 3.29Å; Q17-R19 PolarHBondContact O-N 2.79Å | ||
| 18 | K | 58.7 | Low | 69.4 | Low | 167 Ų | 167 | 131 Ų | 131 | 73% | 0.726 | 69% | 0.688 | S | S | * | * | trans | -54.6 | 100.3 | 159.5 | -94.6 | 165.4 | 174 | 165.7 | 0 | 106.5 | E16 T20 | E16-K18 HydrophobicContact CG-CD 4.46Å; E16-K18 HydrophobicContact CG-CG 4.29Å; E16-K18 PolarHBondContact O-N 3.4Å; K18-T20 PolarHBondContact O-N 3.42Å | ||
| 19 | R | 71.5 | Confident | 71.7 | Confident | 216 Ų | 216 | 128.1 Ų | 128.1 | 82% | 0.815 | 67% | 0.671 | S | S | * | * | trans | -51.4 | 116.6 | 174.9 | -73.2 | -178.7 | 170.3 | 145.9 | -2.8 | 107.5 | Q17 R21 | Q17-R19 VanDerWaalsContact C-N 3.29Å; Q17-R19 PolarHBondContact O-N 2.79Å; R19-R21 PolarHBondContact O-N 3.06Å | ||
| 20 | T | 83.4 | Confident | 74.2 | Confident | 136 Ų | 136 | 129.5 Ų | 129.5 | 83% | 0.834 | 66% | 0.661 | S | S | * | * | trans | -50.2 | 130.4 | 175.8 | -59.6 | 0 | 0 | 0 | 0 | 108.9 | K18 Q22 | K18-T20 PolarHBondContact O-N 3.42Å; T20-Q22 PolarHBondContact O-N 3.27Å | ||
| 21 | R | 84.9 | Confident | 76.3 | Confident | 219 Ų | 219 | 123.7 Ų | 123.7 | 83% | 0.826 | 63% | 0.634 | S | S | * | * | trans | -64.5 | 112.1 | 176.8 | 173.3 | 177.8 | -92.3 | -89.1 | 5.1 | 108.3 | R19 | R19-R21 PolarHBondContact O-N 3.06Š| ||
| 22 | Q | 88.6 | Confident | 78.8 | Confident | 132 Ų | 132 | 114.2 Ų | 114.2 | 62% | 0.617 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 134.4 | 165.9 | -173.2 | 177.7 | -4.3 | 0 | 0 | 109.2 | T20 | T20-Q22 PolarHBondContact O-N 3.27Š|
| 23 | T | 94.2 | Very high | 81.4 | Confident | 112 Ų | 112 | 113.4 Ų | 113.4 | 69% | 0.687 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 145.4 | 169.7 | 51.7 | 0 | 0 | 0 | 0 | 109.8 | ||
| 24 | Y | 96.3 | Very high | 83.8 | Confident | 64 Ų | 64 | 107.5 Ų | 107.5 | 25% | 0.251 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -77.6 | 144.4 | 172.4 | -58.8 | -58.4 | 0 | 0 | 0 | 109.6 | L56 W64 | Y24-L56 HydrophobicContact CD1-CD1 4.02Å; Y24-L56 HydrophobicContact CD1-CD2 3.92Å; Y24-L56 HydrophobicContact CE1-CD1 3.88Å; Y24-L56 HydrophobicContact CE1-CD2 3.75Å; Y24-L56 HydrophobicContact CE1-CG 4.49Å; Y24-W64 AromaticContact CD2-CD1 3.78Å; Y24-W64 AromaticContact CE2-CD1 3.54Å; Y24-W64 HydrophobicContact CE2-CG 4.4Å |
| 25 | S | 97.4 | Very high | 86.1 | Confident | 69 Ų | 69 | 101.6 Ų | 101.6 | 48% | 0.483 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 160 | 171.2 | 173.2 | 0 | 0 | 0 | 0 | 111 | N27 Q28 T29 | S25-N27 VanDerWaalsContact C-N 3.3Å; S25-N27 PolarHBondContact O-N 3.48Å; S25-Q28 PolarHBondContact O-N 3.18Å; S25-T29 PolarHBondContact O-N 3Å; S25-T29 PolarHBondContact O-OG1 3.28Å |
| 26 | S | 97.3 | Very high | 88.5 | Confident | 100 Ų | 100 | 98.3 Ų | 98.3 | 70% | 0.699 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -54.5 | -46.9 | 174.1 | -173.7 | 0 | 0 | 0 | 0 | 111.3 | Q28 T29 L30 | S26-Q28 PolarHBondContact O-N 2.87Å; S26-T29 PolarHBondContact O-N 2.83Å; S26-L30 WeakPolarHBondContact O-CB 3.5Å; S26-L30 PolarHBondContact O-N 3.33Å |
| 27 | N | 97.3 | Very high | 90.6 | Very high | 100 Ų | 100 | 96.8 Ų | 96.8 | 54% | 0.535 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.2 | -43.9 | 177.3 | -177 | 66.3 | 0 | 0 | 0 | 112.6 | S25 T29 L30 E31 | S25-N27 VanDerWaalsContact C-N 3.3Å; S25-N27 PolarHBondContact O-N 3.48Å; N27-T29 VanDerWaalsContact C-N 3.31Å; N27-T29 PolarHBondContact O-N 2.95Å; N27-L30 PolarHBondContact O-N 3.35Å; N27-E31 PolarHBondContact O-N 2.84Å; N27-E31 VanDerWaalsContact O-N 3.1Å |
| 28 | Q | 98 | Very high | 92.6 | Very high | 30 Ų | 30 | 96.8 Ų | 96.8 | 14% | 0.14 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -62 | -42.1 | 177.7 | -69.2 | 177 | -39.6 | 0 | 0 | 111.2 | S25 S26 L32 L54 | S25-Q28 PolarHBondContact O-N 3.18Å; S26-Q28 PolarHBondContact O-N 2.87Å; Q28-L32 WeakPolarHBondContact O-CB 3.35Å; Q28-L32 VanDerWaalsContact O-CD1 3.29Å; Q28-L32 WeakPolarHBondContact O-CD1 3.49Å; Q28-L32 WeakPolarHBondContact O-CG 3.39Å; Q28-L32 PolarHBondContact O-N 3.44Å; Q28-L32 VanDerWaalsContact O-N 3.11Å; Q28-L54 HydrophobicContact CG-CB 4.37Å; Q28-L54 PolarHBondContact NE2-O 3.09Å |
| 29 | T | 97.9 | Very high | 94.4 | Very high | 59 Ų | 59 | 92.3 Ų | 92.3 | 36% | 0.362 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67.1 | -41.8 | 179.5 | -55.2 | 0 | 0 | 0 | 0 | 111.6 | S25 S26 N27 L32 E33 | S25-T29 PolarHBondContact O-N 3Å; S25-T29 PolarHBondContact O-OG1 3.28Å; S26-T29 PolarHBondContact O-N 2.83Å; N27-T29 VanDerWaalsContact C-N 3.31Å; N27-T29 PolarHBondContact O-N 2.95Å; T29-L32 PolarHBondContact O-N 2.95Å; T29-E33 WeakPolarHBondContact O-CB 3.29Å; T29-E33 PolarHBondContact O-N 3.16Å |
| 30 | L | 98 | Very high | 95.6 | Very high | 98 Ų | 98 | 87 Ų | 87 | 51% | 0.513 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.6 | -52 | 178.3 | -171.8 | 160.4 | 0 | 0 | 0 | 111.2 | S26 N27 L32 E33 K34 | S26-L30 WeakPolarHBondContact O-CB 3.5Å; S26-L30 PolarHBondContact O-N 3.33Å; N27-L30 PolarHBondContact O-N 3.35Å; L30-L32 VanDerWaalsContact C-N 3.35Å; L30-L32 PolarHBondContact O-N 3.4Å; L30-E33 PolarHBondContact O-N 2.91Å; L30-K34 WeakPolarHBondContact O-CB 3.39Å; L30-K34 PolarHBondContact O-N 2.8Å |
| 31 | E | 97.8 | Very high | 96.3 | Very high | 40 Ų | 40 | 87.5 Ų | 87.5 | 19% | 0.187 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -66.1 | -36.9 | -179.1 | -71.4 | -56.9 | 107.8 | 0 | 0 | 112.1 | N27 E33 K34 E35 L54 | N27-E31 PolarHBondContact O-N 2.84Å; N27-E31 VanDerWaalsContact O-N 3.1Å; E31-E33 PolarHBondContact O-N 3.48Å; E31-K34 PolarHBondContact O-N 3.1Å; E31-K34 IonicContact OE1-NZ 2.73Å; E31-K34 PolarHBondContact OE1-NZ 3.34Å; E31-K34 IonicContact OE2-NZ 2.72Å; E31-K34 PolarHBondContact OE2-NZ 3.32Å; E31-E35 WeakPolarHBondContact O-CB 3.44Å; E31-E35 VanDerWaalsContact O-CG 3.3Å; E31-E35 WeakPolarHBondContact O-CG 3.32Å; E31-E35 PolarHBondContact O-N 3.12Å; E31-L54 HydrophobicContact CB-CD1 4.13Å; E31-L54 HydrophobicContact CB-CD2 3.71Å; E31-L54 HydrophobicContact CB-CG 4.47Å; E31-L54 HydrophobicContact CG-CD2 4.01Å |
| 32 | L | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.9 | -41 | 173.9 | -72.6 | 165.4 | 0 | 0 | 0 | 112.4 | Q28 T29 L30 E35 F36 I50 L54 L56 V61 W64 F65 | Q28-L32 WeakPolarHBondContact O-CB 3.35Å; Q28-L32 VanDerWaalsContact O-CD1 3.29Å; Q28-L32 WeakPolarHBondContact O-CD1 3.49Å; Q28-L32 WeakPolarHBondContact O-CG 3.39Å; Q28-L32 PolarHBondContact O-N 3.44Å; Q28-L32 VanDerWaalsContact O-N 3.11Å; T29-L32 PolarHBondContact O-N 2.95Å; L30-L32 VanDerWaalsContact C-N 3.35Å; L30-L32 PolarHBondContact O-N 3.4Å; L32-E35 PolarHBondContact O-N 3.39Å; L32-F36 WeakPolarHBondContact O-CB 3.46Å; L32-F36 PolarHBondContact O-N 3.09Å; L32-I50 HydrophobicContact CD2-CG2 3.97Å; L32-L54 HydrophobicContact CD1-CD1 4.33Å; L32-L54 HydrophobicContact CD2-CD1 3.96Å; L32-L54 HydrophobicContact CG-CD1 3.67Å; L32-L56 HydrophobicContact CD1-CD1 4.22Å; L32-V61 HydrophobicContact CD2-CG1 4.25Å; L32-W64 HydrophobicContact CB-CD2 3.79Å; L32-W64 HydrophobicContact CB-CE3 3.86Å; L32-W64 HydrophobicContact CB-CH2 3.67Å; L32-W64 HydrophobicContact CB-CZ2 3.55Å; L32-W64 HydrophobicContact CB-CZ3 3.81Å; L32-W64 HydrophobicContact CD1-CB 4.45Å; L32-W64 HydrophobicContact CD1-CD2 3.86Å; L32-W64 HydrophobicContact CD1-CG 3.75Å; L32-W64 HydrophobicContact CD2-CD2 4.16Å; L32-W64 HydrophobicContact CD2-CE3 4.07Å; L32-W64 HydrophobicContact CD2-CG 4.42Å; L32-W64 HydrophobicContact CG-CD2 4.15Å; L32-W64 HydrophobicContact CG-CE3 4.38Å; L32-W64 HydrophobicContact CG-CG 4.48Å; L32-W64 VanDerWaalsContact O-CH2 3.29Å; L32-W64 WeakPolarHBondContact O-CH2 3.26Å; L32-W64 WeakPolarHBondContact O-CZ3 3.14Å; L32-F65 HydrophobicContact CD2-CE2 4.21Å |
| 33 | E | 98.2 | Very high | 97.3 | Very high | 47 Ų | 47 | 76.2 Ų | 76.2 | 22% | 0.22 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -69.3 | -43.5 | 178.4 | -165 | 63.6 | -146.9 | 0 | 0 | 111.5 | T29 L30 E31 E35 F36 H37 R68 | T29-E33 WeakPolarHBondContact O-CB 3.29Å; T29-E33 PolarHBondContact O-N 3.16Å; L30-E33 PolarHBondContact O-N 2.91Å; E31-E33 PolarHBondContact O-N 3.48Å; E33-E35 VanDerWaalsContact C-N 3.3Å; E33-E35 PolarHBondContact O-N 3.32Å; E33-F36 WeakPolarHBondContact O-CB 3.42Å; E33-F36 PolarHBondContact O-N 2.91Å; E33-F36 VanDerWaalsContact O-N 3.1Å; E33-H37 PolarHBondContact O-CD2 3.2Å; E33-H37 PolarHBondContact O-N 3.42Å; E33-H37 IonicContact OE1-NE2 2.88Å; E33-H37 PolarHBondContact OE1-NE2 2.95Å; E33-R68 VanDerWaalsContact CD-NE 3.3Å; E33-R68 IonicContact OE1-CZ 3.88Å; E33-R68 IonicContact OE1-NE 3.87Å; E33-R68 PolarHBondContact OE1-NE 3.04Å; E33-R68 IonicContact OE1-NH2 3.04Å; E33-R68 PolarHBondContact OE1-NH2 3.39Å; E33-R68 WeakPolarHBondContact OE2-CD 3.41Å; E33-R68 IonicContact OE2-CZ 3.91Å; E33-R68 IonicContact OE2-NE 2.93Å; E33-R68 PolarHBondContact OE2-NE 3.31Å |
| 34 | K | 97.8 | Very high | 97.4 | Very high | 113 Ų | 113 | 79.4 Ų | 79.4 | 49% | 0.491 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -54 | -46.6 | 172.9 | 174 | -178.4 | 163.1 | -159.2 | 0 | 111.6 | L30 E31 H37 F38 | L30-K34 WeakPolarHBondContact O-CB 3.39Å; L30-K34 PolarHBondContact O-N 2.8Å; E31-K34 PolarHBondContact O-N 3.1Å; E31-K34 IonicContact OE1-NZ 2.73Å; E31-K34 PolarHBondContact OE1-NZ 3.34Å; E31-K34 IonicContact OE2-NZ 2.72Å; E31-K34 PolarHBondContact OE2-NZ 3.32Å; K34-H37 PolarHBondContact O-N 3.05Å; K34-F38 PolarHBondContact O-N 3.36Å; K34-F38 VanDerWaalsContact O-N 3.13Å |
| 35 | E | 97.4 | Very high | 97.5 | Very high | 21 Ų | 21 | 84.9 Ų | 84.9 | 10% | 0.098 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -65.7 | -38.1 | 176.3 | -73 | -63 | 137.9 | 0 | 0 | 113 | E31 L32 E33 H37 F38 N39 R46 I50 F65 | E31-E35 WeakPolarHBondContact O-CB 3.44Å; E31-E35 VanDerWaalsContact O-CG 3.3Å; E31-E35 WeakPolarHBondContact O-CG 3.32Å; E31-E35 PolarHBondContact O-N 3.12Å; L32-E35 PolarHBondContact O-N 3.39Å; E33-E35 VanDerWaalsContact C-N 3.3Å; E33-E35 PolarHBondContact O-N 3.32Å; E35-H37 VanDerWaalsContact C-N 3.33Å; E35-H37 PolarHBondContact O-N 3.05Å; E35-F38 PolarHBondContact O-N 3.03Å; E35-N39 PolarHBondContact O-N 2.97Å; E35-R46 VanDerWaalsContact CD-NE 3.3Å; E35-R46 IonicContact OE1-CZ 3.71Å; E35-R46 IonicContact OE1-NE 3.5Å; E35-R46 IonicContact OE1-NH2 2.88Å; E35-R46 PolarHBondContact OE1-NH2 3.43Å; E35-R46 IonicContact OE2-CZ 3.66Å; E35-R46 IonicContact OE2-NE 3.97Å; E35-R46 PolarHBondContact OE2-NE 3.36Å; E35-R46 IonicContact OE2-NH2 3.22Å; E35-R46 PolarHBondContact OE2-NH2 2.92Å; E35-I50 HydrophobicContact CB-CD1 3.87Å; E35-I50 HydrophobicContact CG-CD1 3.58Å; E35-I50 HydrophobicContact CG-CG1 4.03Å; E35-F65 HydrophobicContact CB-CZ 4.01Å |
| 36 | F | 98 | Very high | 97.5 | Very high | 3 Ų | 3 | 84.1 Ų | 84.1 | 1% | 0.013 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -64.3 | -37.5 | 175.7 | -177.2 | -103 | 0 | 0 | 0 | 112.9 | L32 E33 N39 R40 W64 F65 R68 R69 W72 | L32-F36 WeakPolarHBondContact O-CB 3.46Å; L32-F36 PolarHBondContact O-N 3.09Å; E33-F36 WeakPolarHBondContact O-CB 3.42Å; E33-F36 PolarHBondContact O-N 2.91Å; E33-F36 VanDerWaalsContact O-N 3.1Å; F36-N39 CarbonylContact O-C 3.27Å; F36-N39 VanDerWaalsContact O-C 3.27Å; F36-R40 HydrophobicContact CE1-CG 4.38Å; F36-R40 HydrophobicContact CE2-CB 4.03Å; F36-R40 HydrophobicContact CE2-CG 4.08Å; F36-R40 HydrophobicContact CZ-CB 4.35Å; F36-R40 HydrophobicContact CZ-CG 3.93Å; F36-R40 PolarHBondContact O-N 2.93Å; F36-W64 HydrophobicContact CB-CH2 4.09Å; F36-W64 HydrophobicContact CB-CZ3 3.99Å; F36-F65 HydrophobicContact CB-CE1 4.24Å; F36-F65 HydrophobicContact CB-CZ 4.43Å; F36-F65 HydrophobicContact CD2-CD1 4.05Å; F36-F65 AromaticContact CD2-CE1 4Å; F36-F65 HydrophobicContact CD2-CE1 4Å; F36-R68 HydrophobicContact CB-CG 4.28Å; F36-R68 HydrophobicContact CD1-CG 3.62Å; F36-R68 HydrophobicContact CD2-CB 4.26Å; F36-R68 HydrophobicContact CD2-CG 3.57Å; F36-R68 HydrophobicContact CE1-CG 3.74Å; F36-R68 HydrophobicContact CE2-CB 4.32Å; F36-R68 HydrophobicContact CE2-CG 3.7Å; F36-R68 HydrophobicContact CG-CG 3.53Å; F36-R68 HydrophobicContact CZ-CG 3.79Å; F36-R69 HydrophobicContact CE2-CG 3.77Å; F36-R69 HydrophobicContact CZ-CG 4.34Å; F36-W72 HydrophobicContact CE1-CB 4.2Å; F36-W72 HydrophobicContact CE1-CG 4.3Å; F36-W72 HydrophobicContact CZ-CB 3.9Å; F36-W72 HydrophobicContact CZ-CG 4.09Å |
| 37 | H | 96.6 | Very high | 97.5 | Very high | 132 Ų | 132 | 82.5 Ų | 82.5 | 61% | 0.611 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -64.9 | -40.3 | 174.2 | -77.7 | -67.5 | 0 | 0 | 0 | 111.9 | E33 K34 E35 | E33-H37 PolarHBondContact O-CD2 3.2Å; E33-H37 PolarHBondContact O-N 3.42Å; E33-H37 IonicContact OE1-NE2 2.88Å; E33-H37 PolarHBondContact OE1-NE2 2.95Å; K34-H37 PolarHBondContact O-N 3.05Å; E35-H37 VanDerWaalsContact C-N 3.33Å; E35-H37 PolarHBondContact O-N 3.05Å |
| 38 | F | 96.8 | Very high | 97.6 | Very high | 175 Ų | 175 | 81.3 Ų | 81.3 | 77% | 0.768 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -66.3 | -47.9 | 175.2 | -177.3 | -100.8 | 0 | 0 | 0 | 111.8 | K34 E35 | K34-F38 PolarHBondContact O-N 3.36Å; K34-F38 VanDerWaalsContact O-N 3.13Å; E35-F38 PolarHBondContact O-N 3.03Å |
| 39 | N | 96.3 | Very high | 97.6 | Very high | 72 Ų | 72 | 82.8 Ų | 82.8 | 39% | 0.385 | 37% | 0.368 | S | S | . | . | trans | -147.5 | 121.1 | 176.5 | -167.6 | -14.8 | 0 | 0 | 0 | 112.1 | E35 F36 Y41 F65 | E35-N39 PolarHBondContact O-N 2.97Å; F36-N39 CarbonylContact O-C 3.27Å; F36-N39 VanDerWaalsContact O-C 3.27Å; N39-Y41 PolarHBondContact ND2-O 3.44Å; N39-Y41 VanDerWaalsContact ND2-O 3.13Å; N39-Y41 PolarHBondContact O-N 2.85Å; N39-Y41 VanDerWaalsContact O-N 3.07Å; N39-Y41 PolarHBondContact OD1-N 3.25Å; N39-Y41 PolarHBondContact OD1-O 3.26Å; N39-F65 WeakPolarHBondContact O-CE1 3.35Å | ||
| 40 | R | 96.6 | Very high | 97.6 | Very high | 105 Ų | 105 | 80.1 Ų | 80.1 | 40% | 0.396 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -65.2 | -13.5 | 178.9 | -68.1 | 173.5 | 163.9 | 84.6 | -1.3 | 113.6 | F36 R69 W72 | F36-R40 HydrophobicContact CE1-CG 4.38Å; F36-R40 HydrophobicContact CE2-CB 4.03Å; F36-R40 HydrophobicContact CE2-CG 4.08Å; F36-R40 HydrophobicContact CZ-CB 4.35Å; F36-R40 HydrophobicContact CZ-CG 3.93Å; F36-R40 PolarHBondContact O-N 2.93Å; R40-R69 WeakPolarHBondContact O-CD 3.29Å; R40-R69 PolarHBondContact O-NH1 3.47Å; R40-R69 VanDerWaalsContact O-NH1 3.08Å; R40-W72 VanDerWaalsContact NE-CE2 3.28Å; R40-W72 VanDerWaalsContact NE-CZ2 3.31Å |
| 41 | Y | 97.9 | Very high | 97.6 | Very high | 146 Ų | 146 | 75.9 Ų | 75.9 | 57% | 0.573 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -130.7 | 133.4 | 180 | -62 | -88.3 | 0 | 0 | 0 | 111.2 | N39 R69 | N39-Y41 PolarHBondContact ND2-O 3.44Å; N39-Y41 VanDerWaalsContact ND2-O 3.13Å; N39-Y41 PolarHBondContact O-N 2.85Å; N39-Y41 VanDerWaalsContact O-N 3.07Å; N39-Y41 PolarHBondContact OD1-N 3.25Å; N39-Y41 PolarHBondContact OD1-O 3.26Å; Y41-R69 VanDerWaalsContact CE1-CD 3.48Å |
| 42 | L | 96.8 | Very high | 97.6 | Very high | 32 Ų | 32 | 78.4 Ų | 78.4 | 17% | 0.168 | 35% | 0.352 | C | S | . | . | trans | -90.1 | 134.6 | 178 | -72.2 | 179.1 | 0 | 0 | 0 | 112.5 | R46 R47 I50 V61 F65 | L42-R46 HydrophobicContact CD2-CB 4.23Å; L42-R46 HydrophobicContact CD2-CG 3.87Å; L42-R47 HydrophobicContact CD1-CB 4.35Å; L42-R47 HydrophobicContact CD1-CG 4.46Å; L42-I50 HydrophobicContact CD1-CD1 4.41Å; L42-I50 HydrophobicContact CD2-CD1 3.65Å; L42-V61 HydrophobicContact CD1-CG1 3.47Å; L42-V61 VanDerWaalsContact CD1-CG1 3.47Å; L42-F65 HydrophobicContact CD1-CD1 4.16Å; L42-F65 HydrophobicContact CD1-CD2 3.29Å; L42-F65 HydrophobicContact CD1-CE1 4.2Å; L42-F65 HydrophobicContact CD1-CE2 3.37Å; L42-F65 HydrophobicContact CD1-CG 3.72Å; L42-F65 HydrophobicContact CD1-CZ 3.83Å; L42-F65 HydrophobicContact CD2-CD1 4.49Å; L42-F65 HydrophobicContact CD2-CE1 3.84Å; L42-F65 HydrophobicContact CD2-CE2 3.91Å; L42-F65 HydrophobicContact CD2-CZ 3.51Å; L42-F65 HydrophobicContact CG-CD1 3.74Å; L42-F65 HydrophobicContact CG-CD2 3.8Å; L42-F65 HydrophobicContact CG-CE1 3.58Å; L42-F65 HydrophobicContact CG-CE2 3.67Å; L42-F65 HydrophobicContact CG-CG 3.84Å; L42-F65 HydrophobicContact CG-CZ 3.55Å | ||
| 43 | T | 97.5 | Very high | 97.5 | Very high | 83 Ų | 83 | 83.5 Ų | 83.5 | 51% | 0.509 | 38% | 0.376 | S | S | . | . | trans | -74.8 | 165.3 | 162.1 | 66.9 | 0 | 0 | 0 | 0 | 110.6 | R46 R47 | T43-R46 PolarHBondContact OG1-N 3.37Å; T43-R47 WeakPolarHBondContact O-CB 3.49Å; T43-R47 PolarHBondContact O-N 3.19Å; T43-R47 VanDerWaalsContact O-N 3.12Å | ||
| 44 | R | 97.6 | Very high | 97.5 | Very high | 178 Ų | 178 | 81.8 Ų | 81.8 | 67% | 0.672 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -57.6 | -49.7 | 175.9 | 179 | -178 | 169.9 | 119.3 | 2.3 | 111.3 | R47 Q48 | R44-R47 WeakPolarHBondContact O-CB 3.37Å; R44-R47 PolarHBondContact O-N 2.88Å; R44-Q48 PolarHBondContact O-N 3.22Å |
| 45 | R | 97.5 | Very high | 97.4 | Very high | 180 Ų | 180 | 81.9 Ų | 81.9 | 68% | 0.679 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -58.5 | -51.6 | -179 | 178.3 | 178 | 171.1 | 171.7 | 2.5 | 111.7 | R47 Q48 E49 | R45-R47 VanDerWaalsContact C-N 3.26Å; R45-R47 PolarHBondContact O-N 2.93Å; R45-Q48 WeakPolarHBondContact O-CB 3.34Å; R45-Q48 PolarHBondContact O-N 2.88Å; R45-E49 WeakPolarHBondContact CG-OE1 3.15Å; R45-E49 IonicContact CZ-OE1 2.7Å; R45-E49 IonicContact NE-OE1 3.52Å; R45-E49 PolarHBondContact NE-OE1 3.43Å; R45-E49 IonicContact NH2-OE1 3.43Å; R45-E49 PolarHBondContact O-N 3.01Å; R45-E49 VanDerWaalsContact O-N 3.13Å |
| 46 | R | 97.5 | Very high | 97.4 | Very high | 53 Ų | 53 | 81.5 Ų | 81.5 | 20% | 0.2 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.6 | -33.5 | -178.2 | -168.8 | 65.8 | -169.1 | 135.8 | 4.2 | 112.4 | E35 L42 T43 Q48 E49 I50 E53 | E35-R46 VanDerWaalsContact CD-NE 3.3Å; E35-R46 IonicContact OE1-CZ 3.71Å; E35-R46 IonicContact OE1-NE 3.5Å; E35-R46 IonicContact OE1-NH2 2.88Å; E35-R46 PolarHBondContact OE1-NH2 3.43Å; E35-R46 IonicContact OE2-CZ 3.66Å; E35-R46 IonicContact OE2-NE 3.97Å; E35-R46 PolarHBondContact OE2-NE 3.36Å; E35-R46 IonicContact OE2-NH2 3.22Å; E35-R46 PolarHBondContact OE2-NH2 2.92Å; L42-R46 HydrophobicContact CD2-CB 4.23Å; L42-R46 HydrophobicContact CD2-CG 3.87Å; T43-R46 PolarHBondContact OG1-N 3.37Å; R46-Q48 VanDerWaalsContact C-N 3.32Å; R46-Q48 PolarHBondContact O-N 3.1Å; R46-E49 WeakPolarHBondContact CD-OE2 3.39Å; R46-E49 IonicContact CZ-OE2 3.95Å; R46-E49 IonicContact NH1-OE2 2.78Å; R46-E49 PolarHBondContact NH1-OE2 3.3Å; R46-E49 PolarHBondContact O-N 3.37Å; R46-I50 HydrophobicContact CG-CD1 3.81Å; R46-I50 HydrophobicContact CG-CG1 4.26Å; R46-I50 WeakPolarHBondContact O-CG1 3.35Å; R46-I50 PolarHBondContact O-N 3.04Å; R46-E53 IonicContact NH1-OE1 2.75Å; R46-E53 PolarHBondContact NH1-OE1 3.43Å; R46-E53 IonicContact NH2-OE1 2.98Å; R46-E53 IonicContact NH2-OE2 3.18Å |
| 47 | R | 98.1 | Very high | 97.3 | Very high | 66 Ų | 66 | 85.1 Ų | 85.1 | 25% | 0.249 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 173.2 | -171.1 | -166.8 | -57 | 150 | 3.6 | 112.1 | L42 T43 R44 R45 A51 E58 V61 | L42-R47 HydrophobicContact CD1-CB 4.35Å; L42-R47 HydrophobicContact CD1-CG 4.46Å; T43-R47 WeakPolarHBondContact O-CB 3.49Å; T43-R47 PolarHBondContact O-N 3.19Å; T43-R47 VanDerWaalsContact O-N 3.12Å; R44-R47 WeakPolarHBondContact O-CB 3.37Å; R44-R47 PolarHBondContact O-N 2.88Å; R45-R47 VanDerWaalsContact C-N 3.26Å; R45-R47 PolarHBondContact O-N 2.93Å; R47-A51 WeakPolarHBondContact O-CB 3.49Å; R47-A51 PolarHBondContact O-N 3.28Å; R47-E58 HydrophobicContact CG-CB 4.13Å; R47-E58 HydrophobicContact CG-CG 4.23Å; R47-V61 HydrophobicContact CG-CB 4.44Å; R47-V61 HydrophobicContact CG-CG1 4.35Å |
| 48 | Q | 98.2 | Very high | 97.4 | Very high | 75 Ų | 75 | 82.4 Ų | 82.4 | 35% | 0.35 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -68.4 | -40.4 | 180 | -65.9 | 176.6 | -56.1 | 0 | 0 | 111.6 | R44 R45 R46 S52 E58 | R44-Q48 PolarHBondContact O-N 3.22Å; R45-Q48 WeakPolarHBondContact O-CB 3.34Å; R45-Q48 PolarHBondContact O-N 2.88Å; R46-Q48 VanDerWaalsContact C-N 3.32Å; R46-Q48 PolarHBondContact O-N 3.1Å; Q48-S52 PolarHBondContact O-N 3.11Å; Q48-S52 VanDerWaalsContact O-N 3.12Å; Q48-S52 PolarHBondContact O-OG 3.26Å; Q48-E58 HydrophobicContact CG-CG 4.46Å |
| 49 | E | 98.1 | Very high | 97.4 | Very high | 61 Ų | 61 | 81.5 Ų | 81.5 | 29% | 0.285 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.7 | -55.4 | 176.7 | -67 | 170.1 | -177.5 | 0 | 0 | 111.1 | R45 R46 A51 S52 E53 | R45-E49 WeakPolarHBondContact CG-OE1 3.15Å; R45-E49 IonicContact CZ-OE1 2.7Å; R45-E49 IonicContact NE-OE1 3.52Å; R45-E49 PolarHBondContact NE-OE1 3.43Å; R45-E49 IonicContact NH2-OE1 3.43Å; R45-E49 PolarHBondContact O-N 3.01Å; R45-E49 VanDerWaalsContact O-N 3.13Å; R46-E49 WeakPolarHBondContact CD-OE2 3.39Å; R46-E49 IonicContact CZ-OE2 3.95Å; R46-E49 IonicContact NH1-OE2 2.78Å; R46-E49 PolarHBondContact NH1-OE2 3.3Å; R46-E49 PolarHBondContact O-N 3.37Å; E49-A51 VanDerWaalsContact C-N 3.32Å; E49-A51 PolarHBondContact O-N 3.13Å; E49-S52 WeakPolarHBondContact O-CB 3.46Å; E49-S52 PolarHBondContact O-N 3.44Å; E49-S52 VanDerWaalsContact O-N 3.1Å; E49-E53 WeakPolarHBondContact O-CG 3.38Å; E49-E53 PolarHBondContact O-N 3.31Å |
| 50 | I | 97.6 | Very high | 97.5 | Very high | 3 Ų | 3 | 80.2 Ų | 80.2 | 2% | 0.015 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -60.1 | -41.5 | 179.3 | -64.3 | 168 | 0 | 0 | 0 | 111.8 | L32 E35 L42 R46 S52 E53 L54 V61 | L32-I50 HydrophobicContact CD2-CG2 3.97Å; E35-I50 HydrophobicContact CB-CD1 3.87Å; E35-I50 HydrophobicContact CG-CD1 3.58Å; E35-I50 HydrophobicContact CG-CG1 4.03Å; L42-I50 HydrophobicContact CD1-CD1 4.41Å; L42-I50 HydrophobicContact CD2-CD1 3.65Å; R46-I50 HydrophobicContact CG-CD1 3.81Å; R46-I50 HydrophobicContact CG-CG1 4.26Å; R46-I50 WeakPolarHBondContact O-CG1 3.35Å; R46-I50 PolarHBondContact O-N 3.04Å; I50-S52 VanDerWaalsContact C-N 3.27Å; I50-S52 PolarHBondContact O-N 3.43Å; I50-E53 PolarHBondContact O-N 3.12Å; I50-L54 HydrophobicContact CG2-CD1 3.66Å; I50-L54 HydrophobicContact CG2-CG 4.13Å; I50-L54 WeakPolarHBondContact O-CB 3.29Å; I50-L54 WeakPolarHBondContact O-CG 3.45Å; I50-L54 PolarHBondContact O-N 3Å; I50-V61 HydrophobicContact CB-CG1 4.44Å; I50-V61 HydrophobicContact CG2-CG1 4.04Å; I50-V61 HydrophobicContact CG2-CG2 4.16Å |
| 51 | A | 98.1 | Very high | 97.5 | Very high | 8 Ų | 8 | 75.2 Ų | 75.2 | 7% | 0.066 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58 | -43.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | R47 E49 C55 L56 E58 V61 | R47-A51 WeakPolarHBondContact O-CB 3.49Å; R47-A51 PolarHBondContact O-N 3.28Å; E49-A51 VanDerWaalsContact C-N 3.32Å; E49-A51 PolarHBondContact O-N 3.13Å; A51-C55 PolarHBondContact O-N 3.49Å; A51-L56 CarbonylContact C-O 3.43Å; A51-L56 WeakPolarHBondContact CA-O 3.41Å; A51-L56 VanDerWaalsContact CB-O 3.26Å; A51-L56 WeakPolarHBondContact CB-O 3.47Å; A51-L56 PolarHBondContact O-N 3.18Å; A51-E58 HydrophobicContact CB-CG 4.13Å; A51-V61 HydrophobicContact CB-CG2 4.16Å |
| 52 | S | 97.8 | Very high | 97.5 | Very high | 93 Ų | 93 | 74.1 Ų | 74.1 | 65% | 0.65 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -69.9 | -45.6 | 178.9 | -53 | 0 | 0 | 0 | 0 | 111.7 | Q48 E49 I50 L54 C55 | Q48-S52 PolarHBondContact O-N 3.11Å; Q48-S52 VanDerWaalsContact O-N 3.12Å; Q48-S52 PolarHBondContact O-OG 3.26Å; E49-S52 WeakPolarHBondContact O-CB 3.46Å; E49-S52 PolarHBondContact O-N 3.44Å; E49-S52 VanDerWaalsContact O-N 3.1Å; I50-S52 VanDerWaalsContact C-N 3.27Å; I50-S52 PolarHBondContact O-N 3.43Å; S52-L54 PolarHBondContact O-N 3.27Å; S52-C55 PolarHBondContact O-N 2.97Å |
| 53 | E | 97.4 | Very high | 97.5 | Very high | 108 Ų | 108 | 75 Ų | 75 | 51% | 0.505 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.2 | -40.5 | 179.4 | -71.1 | 168 | -149.1 | 0 | 0 | 112.2 | R46 E49 I50 | R46-E53 IonicContact NH1-OE1 2.75Å; R46-E53 PolarHBondContact NH1-OE1 3.43Å; R46-E53 IonicContact NH2-OE1 2.98Å; R46-E53 IonicContact NH2-OE2 3.18Å; E49-E53 WeakPolarHBondContact O-CG 3.38Å; E49-E53 PolarHBondContact O-N 3.31Å; I50-E53 PolarHBondContact O-N 3.12Å |
| 54 | L | 97.1 | Very high | 97.6 | Very high | 10 Ų | 10 | 72.4 Ų | 72.4 | 5% | 0.052 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 2.2 | -174.3 | -58 | -173.9 | 0 | 0 | 0 | 114.5 | Q28 E31 L32 I50 S52 L56 | Q28-L54 HydrophobicContact CG-CB 4.37Å; Q28-L54 PolarHBondContact NE2-O 3.09Å; E31-L54 HydrophobicContact CB-CD1 4.13Å; E31-L54 HydrophobicContact CB-CD2 3.71Å; E31-L54 HydrophobicContact CB-CG 4.47Å; E31-L54 HydrophobicContact CG-CD2 4.01Å; L32-L54 HydrophobicContact CD1-CD1 4.33Å; L32-L54 HydrophobicContact CD2-CD1 3.96Å; L32-L54 HydrophobicContact CG-CD1 3.67Å; I50-L54 HydrophobicContact CG2-CD1 3.66Å; I50-L54 HydrophobicContact CG2-CG 4.13Å; I50-L54 WeakPolarHBondContact O-CB 3.29Å; I50-L54 WeakPolarHBondContact O-CG 3.45Å; I50-L54 PolarHBondContact O-N 3Å; S52-L54 PolarHBondContact O-N 3.27Å; L54-L56 HydrophobicContact CB-CD1 4.1Å; L54-L56 HydrophobicContact CB-CG 4.05Å; L54-L56 HydrophobicContact CD1-CD1 4.43Å; L54-L56 PolarHBondContact O-N 2.92Å |
| 55 | C | 97.1 | Very high | 97.6 | Very high | 116 Ų | 116 | 64.1 Ų | 64.1 | 78% | 0.784 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 43.2 | -172.8 | -60.4 | 0 | 0 | 0 | 0 | 112.3 | A51 S52 | A51-C55 PolarHBondContact O-N 3.49Å; S52-C55 PolarHBondContact O-N 2.97Å |
| 56 | L | 96.4 | Very high | 97.6 | Very high | 13 Ų | 13 | 60.6 Ų | 60.6 | 7% | 0.068 | 30% | 0.299 | C | S | . | . | trans | -115.9 | 155.6 | 177.2 | -66 | -179.8 | 0 | 0 | 0 | 110 | Y24 L32 A51 L54 Q60 V61 | Y24-L56 HydrophobicContact CD1-CD1 4.02Å; Y24-L56 HydrophobicContact CD1-CD2 3.92Å; Y24-L56 HydrophobicContact CE1-CD1 3.88Å; Y24-L56 HydrophobicContact CE1-CD2 3.75Å; Y24-L56 HydrophobicContact CE1-CG 4.49Å; L32-L56 HydrophobicContact CD1-CD1 4.22Å; A51-L56 CarbonylContact C-O 3.43Å; A51-L56 WeakPolarHBondContact CA-O 3.41Å; A51-L56 VanDerWaalsContact CB-O 3.26Å; A51-L56 WeakPolarHBondContact CB-O 3.47Å; A51-L56 PolarHBondContact O-N 3.18Å; L54-L56 HydrophobicContact CB-CD1 4.1Å; L54-L56 HydrophobicContact CB-CG 4.05Å; L54-L56 HydrophobicContact CD1-CD1 4.43Å; L54-L56 PolarHBondContact O-N 2.92Å; L56-Q60 HydrophobicContact CB-CB 4.35Å; L56-V61 HydrophobicContact CB-CG2 4.04Å; L56-V61 HydrophobicContact CD1-CG2 4.43Å | ||
| 57 | T | 97.3 | Very high | 97.7 | Very high | 78 Ų | 78 | 62.7 Ų | 62.7 | 48% | 0.479 | 31% | 0.314 | S | S | . | . | trans | -73.2 | 148.6 | 170.3 | 62.4 | 0 | 0 | 0 | 0 | 110.9 | R59 Q60 V61 | T57-R59 PolarHBondContact O-N 3.31Å; T57-Q60 WeakPolarHBondContact O-CB 3.45Å; T57-Q60 PolarHBondContact O-N 3.22Å; T57-Q60 WeakPolarHBondContact OG1-CB 3.4Å; T57-Q60 VanDerWaalsContact OG1-CG 3.29Å; T57-Q60 WeakPolarHBondContact OG1-CG 3.3Å; T57-Q60 PolarHBondContact OG1-N 3.48Å; T57-Q60 VanDerWaalsContact OG1-N 3.16Å; T57-Q60 PolarHBondContact OG1-OE1 2.8Å; T57-V61 PolarHBondContact O-N 3.1Å; T57-V61 VanDerWaalsContact O-N 3.09Å | ||
| 58 | E | 98 | Very high | 97.7 | Very high | 76 Ų | 76 | 60.9 Ų | 60.9 | 36% | 0.355 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -51.2 | -34 | 171.9 | -72.9 | -171.5 | 72.8 | 0 | 0 | 112.3 | R47 Q48 A51 K62 | R47-E58 HydrophobicContact CG-CB 4.13Å; R47-E58 HydrophobicContact CG-CG 4.23Å; Q48-E58 HydrophobicContact CG-CG 4.46Å; A51-E58 HydrophobicContact CB-CG 4.13Å; E58-K62 VanDerWaalsContact O-CB 3.29Å; E58-K62 WeakPolarHBondContact O-CB 3.47Å; E58-K62 PolarHBondContact O-N 2.7Å |
| 59 | R | 97.1 | Very high | 97.6 | Very high | 155 Ų | 155 | 60.3 Ų | 60.3 | 59% | 0.585 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -64.9 | -45.1 | 175.4 | -175.4 | -179.6 | -175.9 | -78.9 | -4.2 | 112.1 | T57 K62 I63 | T57-R59 PolarHBondContact O-N 3.31Å; R59-K62 PolarHBondContact O-N 3.43Å; R59-I63 HydrophobicContact CG-CD1 3.97Å; R59-I63 WeakPolarHBondContact O-CG1 3.44Å; R59-I63 PolarHBondContact O-N 2.75Å |
| 60 | Q | 97.4 | Very high | 97.6 | Very high | 45 Ų | 45 | 62.5 Ų | 62.5 | 21% | 0.21 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62 | -46.7 | 177.2 | -79.9 | 163.7 | -53.4 | 0 | 0 | 111 | L56 T57 K62 I63 W64 | L56-Q60 HydrophobicContact CB-CB 4.35Å; T57-Q60 WeakPolarHBondContact O-CB 3.45Å; T57-Q60 PolarHBondContact O-N 3.22Å; T57-Q60 WeakPolarHBondContact OG1-CB 3.4Å; T57-Q60 VanDerWaalsContact OG1-CG 3.29Å; T57-Q60 WeakPolarHBondContact OG1-CG 3.3Å; T57-Q60 PolarHBondContact OG1-N 3.48Å; T57-Q60 VanDerWaalsContact OG1-N 3.16Å; T57-Q60 PolarHBondContact OG1-OE1 2.8Å; Q60-K62 VanDerWaalsContact C-N 3.34Å; Q60-K62 PolarHBondContact O-N 2.87Å; Q60-I63 PolarHBondContact O-N 3.28Å; Q60-W64 WeakPolarHBondContact O-CB 3.29Å; Q60-W64 PolarHBondContact O-N 3.48Å |
| 61 | V | 97.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.6 | -45.3 | 175.9 | -179.3 | 0 | 0 | 0 | 0 | 110.7 | L32 L42 R47 I50 A51 L56 T57 I63 W64 F65 | L32-V61 HydrophobicContact CD2-CG1 4.25Å; L42-V61 HydrophobicContact CD1-CG1 3.47Å; L42-V61 VanDerWaalsContact CD1-CG1 3.47Å; R47-V61 HydrophobicContact CG-CB 4.44Å; R47-V61 HydrophobicContact CG-CG1 4.35Å; I50-V61 HydrophobicContact CB-CG1 4.44Å; I50-V61 HydrophobicContact CG2-CG1 4.04Å; I50-V61 HydrophobicContact CG2-CG2 4.16Å; A51-V61 HydrophobicContact CB-CG2 4.16Å; L56-V61 HydrophobicContact CB-CG2 4.04Å; L56-V61 HydrophobicContact CD1-CG2 4.43Å; T57-V61 PolarHBondContact O-N 3.1Å; T57-V61 VanDerWaalsContact O-N 3.09Å; V61-I63 PolarHBondContact O-N 2.99Å; V61-W64 PolarHBondContact O-N 3.38Å; V61-F65 HydrophobicContact CG1-CD2 4.08Å; V61-F65 HydrophobicContact CG1-CE2 4.24Å; V61-F65 WeakPolarHBondContact O-CD2 3.48Å; V61-F65 PolarHBondContact O-N 3.5Å |
| 62 | K | 97.7 | Very high | 97.4 | Very high | 123 Ų | 123 | 71.6 Ų | 71.6 | 54% | 0.535 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.1 | -46.6 | 176.2 | -178.8 | -175.6 | 175.8 | -175.4 | 0 | 112.3 | E58 R59 Q60 F65 Q66 | E58-K62 VanDerWaalsContact O-CB 3.29Å; E58-K62 WeakPolarHBondContact O-CB 3.47Å; E58-K62 PolarHBondContact O-N 2.7Å; R59-K62 PolarHBondContact O-N 3.43Å; Q60-K62 VanDerWaalsContact C-N 3.34Å; Q60-K62 PolarHBondContact O-N 2.87Å; K62-F65 PolarHBondContact O-N 3Å; K62-Q66 PolarHBondContact O-N 3.48Å; K62-Q66 VanDerWaalsContact O-N 3.09Å |
| 63 | I | 97.4 | Very high | 97.2 | Very high | 51 Ų | 51 | 71.5 Ų | 71.5 | 26% | 0.262 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.4 | -41.1 | 179 | -71.1 | 169.2 | 0 | 0 | 0 | 110.7 | R59 Q60 V61 F65 Q66 N67 | R59-I63 HydrophobicContact CG-CD1 3.97Å; R59-I63 WeakPolarHBondContact O-CG1 3.44Å; R59-I63 PolarHBondContact O-N 2.75Å; Q60-I63 PolarHBondContact O-N 3.28Å; V61-I63 PolarHBondContact O-N 2.99Å; I63-F65 PolarHBondContact O-N 2.93Å; I63-Q66 WeakPolarHBondContact O-CB 3.33Å; I63-Q66 PolarHBondContact O-N 3.08Å; I63-N67 PolarHBondContact O-N 2.98Å |
| 64 | W | 98.1 | Very high | 97 | Very high | 29 Ų | 29 | 73.8 Ų | 73.8 | 11% | 0.11 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.3 | -48.5 | 177.1 | -173.4 | 99.4 | 0 | 0 | 0 | 110.9 | Y24 L32 F36 Q60 V61 Q66 N67 R68 | Y24-W64 AromaticContact CD2-CD1 3.78Å; Y24-W64 AromaticContact CE2-CD1 3.54Å; Y24-W64 HydrophobicContact CE2-CG 4.4Å; L32-W64 HydrophobicContact CB-CD2 3.79Å; L32-W64 HydrophobicContact CB-CE3 3.86Å; L32-W64 HydrophobicContact CB-CH2 3.67Å; L32-W64 HydrophobicContact CB-CZ2 3.55Å; L32-W64 HydrophobicContact CB-CZ3 3.81Å; L32-W64 HydrophobicContact CD1-CB 4.45Å; L32-W64 HydrophobicContact CD1-CD2 3.86Å; L32-W64 HydrophobicContact CD1-CG 3.75Å; L32-W64 HydrophobicContact CD2-CD2 4.16Å; L32-W64 HydrophobicContact CD2-CE3 4.07Å; L32-W64 HydrophobicContact CD2-CG 4.42Å; L32-W64 HydrophobicContact CG-CD2 4.15Å; L32-W64 HydrophobicContact CG-CE3 4.38Å; L32-W64 HydrophobicContact CG-CG 4.48Å; L32-W64 VanDerWaalsContact O-CH2 3.29Å; L32-W64 WeakPolarHBondContact O-CH2 3.26Å; L32-W64 WeakPolarHBondContact O-CZ3 3.14Å; F36-W64 HydrophobicContact CB-CH2 4.09Å; F36-W64 HydrophobicContact CB-CZ3 3.99Å; Q60-W64 WeakPolarHBondContact O-CB 3.29Å; Q60-W64 PolarHBondContact O-N 3.48Å; V61-W64 PolarHBondContact O-N 3.38Å; W64-Q66 VanDerWaalsContact C-N 3.28Å; W64-Q66 PolarHBondContact O-N 3.48Å; W64-N67 PolarHBondContact O-N 2.78Å; W64-R68 HydrophobicContact CD2-CB 4.45Å; W64-R68 HydrophobicContact CE3-CB 4.02Å; W64-R68 HydrophobicContact CH2-CB 3.86Å; W64-R68 HydrophobicContact CH2-CG 3.63Å; W64-R68 HydrophobicContact CZ2-CB 4.34Å; W64-R68 HydrophobicContact CZ2-CG 4.32Å; W64-R68 HydrophobicContact CZ3-CB 3.7Å; W64-R68 HydrophobicContact CZ3-CG 3.81Å; W64-R68 WeakPolarHBondContact O-CB 3.48Å; W64-R68 PolarHBondContact O-N 2.91Å |
| 65 | F | 98.4 | Very high | 96.7 | Very high | 3 Ų | 3 | 76.9 Ų | 76.9 | 1% | 0.013 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.9 | -35.4 | 177.4 | -94.9 | -97.8 | 0 | 0 | 0 | 112.9 | L32 E35 F36 N39 L42 V61 K62 I63 R69 | L32-F65 HydrophobicContact CD2-CE2 4.21Å; E35-F65 HydrophobicContact CB-CZ 4.01Å; F36-F65 HydrophobicContact CB-CE1 4.24Å; F36-F65 HydrophobicContact CB-CZ 4.43Å; F36-F65 HydrophobicContact CD2-CD1 4.05Å; F36-F65 AromaticContact CD2-CE1 4Å; F36-F65 HydrophobicContact CD2-CE1 4Å; N39-F65 WeakPolarHBondContact O-CE1 3.35Å; L42-F65 HydrophobicContact CD1-CD1 4.16Å; L42-F65 HydrophobicContact CD1-CD2 3.29Å; L42-F65 HydrophobicContact CD1-CE1 4.2Å; L42-F65 HydrophobicContact CD1-CE2 3.37Å; L42-F65 HydrophobicContact CD1-CG 3.72Å; L42-F65 HydrophobicContact CD1-CZ 3.83Å; L42-F65 HydrophobicContact CD2-CD1 4.49Å; L42-F65 HydrophobicContact CD2-CE1 3.84Å; L42-F65 HydrophobicContact CD2-CE2 3.91Å; L42-F65 HydrophobicContact CD2-CZ 3.51Å; L42-F65 HydrophobicContact CG-CD1 3.74Å; L42-F65 HydrophobicContact CG-CD2 3.8Å; L42-F65 HydrophobicContact CG-CE1 3.58Å; L42-F65 HydrophobicContact CG-CE2 3.67Å; L42-F65 HydrophobicContact CG-CG 3.84Å; L42-F65 HydrophobicContact CG-CZ 3.55Å; V61-F65 HydrophobicContact CG1-CD2 4.08Å; V61-F65 HydrophobicContact CG1-CE2 4.24Å; V61-F65 WeakPolarHBondContact O-CD2 3.48Å; V61-F65 PolarHBondContact O-N 3.5Å; K62-F65 PolarHBondContact O-N 3Å; I63-F65 PolarHBondContact O-N 2.93Å; F65-R69 WeakPolarHBondContact O-CG 3.11Å; F65-R69 PolarHBondContact O-N 2.95Å; F65-R69 PolarHBondContact O-NH1 3.41Å |
| 66 | Q | 98.1 | Very high | 96.2 | Very high | 106 Ų | 106 | 75.4 Ų | 75.4 | 50% | 0.495 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.6 | -51.6 | 173.7 | -175.2 | 177.1 | 30.3 | 0 | 0 | 111.1 | K62 I63 W64 R68 R69 M70 | K62-Q66 PolarHBondContact O-N 3.48Å; K62-Q66 VanDerWaalsContact O-N 3.09Å; I63-Q66 WeakPolarHBondContact O-CB 3.33Å; I63-Q66 PolarHBondContact O-N 3.08Å; W64-Q66 VanDerWaalsContact C-N 3.28Å; W64-Q66 PolarHBondContact O-N 3.48Å; Q66-R68 VanDerWaalsContact C-N 3.31Å; Q66-R68 PolarHBondContact O-N 2.73Å; Q66-R69 PolarHBondContact O-N 2.86Å; Q66-M70 WeakPolarHBondContact O-CG 3.45Å; Q66-M70 PolarHBondContact O-N 3.23Å |
| 67 | N | 97.8 | Very high | 95.3 | Very high | 97 Ų | 97 | 82.8 Ų | 82.8 | 52% | 0.519 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.3 | -40.7 | 178.3 | -70.4 | -19.3 | 0 | 0 | 0 | 111.7 | I63 W64 M70 K71 | I63-N67 PolarHBondContact O-N 2.98Å; W64-N67 PolarHBondContact O-N 2.78Å; N67-M70 WeakPolarHBondContact O-CB 3.49Å; N67-M70 PolarHBondContact O-N 2.72Å; N67-M70 VanDerWaalsContact O-N 3.16Å; N67-K71 PolarHBondContact O-N 3.16Å |
| 68 | R | 98.2 | Very high | 93.8 | Very high | 29 Ų | 29 | 82.7 Ų | 82.7 | 11% | 0.109 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.5 | -43 | 178.4 | -178.1 | 60.9 | -171.5 | 107 | -7.1 | 112.1 | E33 F36 W64 Q66 M70 K71 W72 E75 | E33-R68 VanDerWaalsContact CD-NE 3.3Å; E33-R68 IonicContact OE1-CZ 3.88Å; E33-R68 IonicContact OE1-NE 3.87Å; E33-R68 PolarHBondContact OE1-NE 3.04Å; E33-R68 IonicContact OE1-NH2 3.04Å; E33-R68 PolarHBondContact OE1-NH2 3.39Å; E33-R68 WeakPolarHBondContact OE2-CD 3.41Å; E33-R68 IonicContact OE2-CZ 3.91Å; E33-R68 IonicContact OE2-NE 2.93Å; E33-R68 PolarHBondContact OE2-NE 3.31Å; F36-R68 HydrophobicContact CB-CG 4.28Å; F36-R68 HydrophobicContact CD1-CG 3.62Å; F36-R68 HydrophobicContact CD2-CB 4.26Å; F36-R68 HydrophobicContact CD2-CG 3.57Å; F36-R68 HydrophobicContact CE1-CG 3.74Å; F36-R68 HydrophobicContact CE2-CB 4.32Å; F36-R68 HydrophobicContact CE2-CG 3.7Å; F36-R68 HydrophobicContact CG-CG 3.53Å; F36-R68 HydrophobicContact CZ-CG 3.79Å; W64-R68 HydrophobicContact CD2-CB 4.45Å; W64-R68 HydrophobicContact CE3-CB 4.02Å; W64-R68 HydrophobicContact CH2-CB 3.86Å; W64-R68 HydrophobicContact CH2-CG 3.63Å; W64-R68 HydrophobicContact CZ2-CB 4.34Å; W64-R68 HydrophobicContact CZ2-CG 4.32Å; W64-R68 HydrophobicContact CZ3-CB 3.7Å; W64-R68 HydrophobicContact CZ3-CG 3.81Å; W64-R68 WeakPolarHBondContact O-CB 3.48Å; W64-R68 PolarHBondContact O-N 2.91Å; Q66-R68 VanDerWaalsContact C-N 3.31Å; Q66-R68 PolarHBondContact O-N 2.73Å; R68-M70 VanDerWaalsContact C-N 3.32Å; R68-M70 PolarHBondContact O-N 3.08Å; R68-K71 WeakPolarHBondContact O-CB 3.37Å; R68-K71 PolarHBondContact O-N 3.03Å; R68-W72 WeakPolarHBondContact O-CB 3.47Å; R68-W72 PolarHBondContact O-N 3.47Å; R68-E75 IonicContact CZ-OE2 3.37Å; R68-E75 IonicContact NH1-OE2 3.5Å; R68-E75 PolarHBondContact NH1-OE2 3.25Å; R68-E75 IonicContact NH2-OE2 3.49Å |
| 69 | R | 97.7 | Very high | 91.9 | Very high | 63 Ų | 63 | 83.6 Ų | 83.6 | 24% | 0.238 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.9 | -38.2 | 172 | -77.9 | -168 | -62 | -80.8 | -4.9 | 112.5 | F36 R40 Y41 F65 Q66 W72 K73 | F36-R69 HydrophobicContact CE2-CG 3.77Å; F36-R69 HydrophobicContact CZ-CG 4.34Å; R40-R69 WeakPolarHBondContact O-CD 3.29Å; R40-R69 PolarHBondContact O-NH1 3.47Å; R40-R69 VanDerWaalsContact O-NH1 3.08Å; Y41-R69 VanDerWaalsContact CE1-CD 3.48Å; F65-R69 WeakPolarHBondContact O-CG 3.11Å; F65-R69 PolarHBondContact O-N 2.95Å; F65-R69 PolarHBondContact O-NH1 3.41Å; Q66-R69 PolarHBondContact O-N 2.86Å; R69-W72 PolarHBondContact O-N 3.13Å; R69-K73 WeakPolarHBondContact O-CB 3.43Å; R69-K73 PolarHBondContact O-N 3.04Å |
| 70 | M | 97.1 | Very high | 90.2 | Very high | 107 Ų | 107 | 82.2 Ų | 82.2 | 53% | 0.527 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.2 | -44 | 174.9 | -68 | -58.5 | -69.5 | 0 | 0 | 111.5 | Q66 N67 R68 K73 K74 | Q66-M70 WeakPolarHBondContact O-CG 3.45Å; Q66-M70 PolarHBondContact O-N 3.23Å; N67-M70 WeakPolarHBondContact O-CB 3.49Å; N67-M70 PolarHBondContact O-N 2.72Å; N67-M70 VanDerWaalsContact O-N 3.16Å; R68-M70 VanDerWaalsContact C-N 3.32Å; R68-M70 PolarHBondContact O-N 3.08Å; M70-K73 PolarHBondContact O-N 2.71Å; M70-K74 PolarHBondContact O-N 3.01Å; M70-K74 VanDerWaalsContact O-N 3.14Å |
| 71 | K | 95.5 | Very high | 88.3 | Confident | 123 Ų | 123 | 87.6 Ų | 87.6 | 54% | 0.535 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.1 | -48.4 | 174.7 | -163.7 | -167.1 | -175.1 | -124.7 | 0 | 111.6 | N67 R68 K73 K74 E75 | N67-K71 PolarHBondContact O-N 3.16Å; R68-K71 WeakPolarHBondContact O-CB 3.37Å; R68-K71 PolarHBondContact O-N 3.03Å; K71-K73 VanDerWaalsContact C-N 3.35Å; K71-K73 PolarHBondContact O-N 3.13Å; K71-K74 WeakPolarHBondContact O-CB 3.43Å; K71-K74 PolarHBondContact O-N 3.35Å; K71-E75 WeakPolarHBondContact CD-OE1 3.47Å; K71-E75 WeakPolarHBondContact CE-OE1 3.48Å; K71-E75 WeakPolarHBondContact CG-OE1 3.38Å; K71-E75 IonicContact NZ-OE1 3.75Å; K71-E75 PolarHBondContact NZ-OE1 3.5Å; K71-E75 WeakPolarHBondContact O-CG 3.36Å; K71-E75 PolarHBondContact O-N 2.9Å |
| 72 | W | 95.7 | Very high | 86.3 | Confident | 79 Ų | 79 | 90.6 Ų | 90.6 | 30% | 0.299 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -56.7 | -47.4 | 177.4 | 177 | 70.8 | 0 | 0 | 0 | 111.2 | F36 R40 R68 R69 K74 E75 N76 | F36-W72 HydrophobicContact CE1-CB 4.2Å; F36-W72 HydrophobicContact CE1-CG 4.3Å; F36-W72 HydrophobicContact CZ-CB 3.9Å; F36-W72 HydrophobicContact CZ-CG 4.09Å; R40-W72 VanDerWaalsContact NE-CE2 3.28Å; R40-W72 VanDerWaalsContact NE-CZ2 3.31Å; R68-W72 WeakPolarHBondContact O-CB 3.47Å; R68-W72 PolarHBondContact O-N 3.47Å; R69-W72 PolarHBondContact O-N 3.13Å; W72-K74 VanDerWaalsContact C-N 3.28Å; W72-K74 PolarHBondContact O-N 3.02Å; W72-E75 WeakPolarHBondContact CA-OE2 3.36Å; W72-E75 PolarHBondContact O-N 3.01Å; W72-N76 PolarHBondContact NE1-ND2 3.39Å; W72-N76 PolarHBondContact O-N 3.07Å; W72-N76 PolarHBondContact O-ND2 3.4Å |
| 73 | K | 94.6 | Very high | 84.4 | Confident | 91 Ų | 91 | 89.3 Ų | 89.3 | 40% | 0.396 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -58.4 | -38.8 | 176.2 | -173.9 | 178.4 | 67.6 | 178.4 | 0 | 112.5 | R69 M70 K71 R77 | R69-K73 WeakPolarHBondContact O-CB 3.43Å; R69-K73 PolarHBondContact O-N 3.04Å; M70-K73 PolarHBondContact O-N 2.71Å; K71-K73 VanDerWaalsContact C-N 3.35Å; K71-K73 PolarHBondContact O-N 3.13Å; K73-R77 WeakPolarHBondContact O-CG 3.41Å; K73-R77 PolarHBondContact O-N 3.29Å |
| 74 | K | 92.7 | Very high | 82.4 | Confident | 155 Ų | 155 | 94.2 Ų | 94.2 | 67% | 0.674 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -66.9 | -46.8 | 176.1 | -172 | 177.5 | 179.8 | -179.3 | 0 | 111 | M70 K71 W72 N76 R77 V78 | M70-K74 PolarHBondContact O-N 3.01Å; M70-K74 VanDerWaalsContact O-N 3.14Å; K71-K74 WeakPolarHBondContact O-CB 3.43Å; K71-K74 PolarHBondContact O-N 3.35Å; W72-K74 VanDerWaalsContact C-N 3.28Å; W72-K74 PolarHBondContact O-N 3.02Å; K74-N76 VanDerWaalsContact C-N 3.27Å; K74-N76 PolarHBondContact O-N 3.05Å; K74-R77 PolarHBondContact O-N 3.18Å; K74-V78 WeakPolarHBondContact O-CG2 3.41Å; K74-V78 PolarHBondContact O-N 3.42Å |
| 75 | E | 91.4 | Very high | 80.2 | Confident | 76 Ų | 76 | 97.7 Ų | 97.7 | 36% | 0.355 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.2 | -37.8 | 178.2 | -69.5 | 162.8 | 169.2 | 0 | 0 | 112 | R68 K71 W72 | R68-E75 IonicContact CZ-OE2 3.37Å; R68-E75 IonicContact NH1-OE2 3.5Å; R68-E75 PolarHBondContact NH1-OE2 3.25Å; R68-E75 IonicContact NH2-OE2 3.49Å; K71-E75 WeakPolarHBondContact CD-OE1 3.47Å; K71-E75 WeakPolarHBondContact CE-OE1 3.48Å; K71-E75 WeakPolarHBondContact CG-OE1 3.38Å; K71-E75 IonicContact NZ-OE1 3.75Å; K71-E75 PolarHBondContact NZ-OE1 3.5Å; K71-E75 WeakPolarHBondContact O-CG 3.36Å; K71-E75 PolarHBondContact O-N 2.9Å; W72-E75 WeakPolarHBondContact CA-OE2 3.36Å; W72-E75 PolarHBondContact O-N 3.01Å |
| 76 | N | 85.4 | Confident | 77.9 | Confident | 84 Ų | 84 | 103.2 Ų | 103.2 | 45% | 0.449 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -79.8 | -19.3 | -179.1 | -72 | -103.8 | 0 | 0 | 0 | 114.1 | W72 K74 | W72-N76 PolarHBondContact NE1-ND2 3.39Å; W72-N76 PolarHBondContact O-N 3.07Å; W72-N76 PolarHBondContact O-ND2 3.4Å; K74-N76 VanDerWaalsContact C-N 3.27Å; K74-N76 PolarHBondContact O-N 3.05Å |
| 77 | R | 77.8 | Confident | 75.7 | Confident | 168 Ų | 168 | 103.7 Ų | 103.7 | 63% | 0.634 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -81.2 | -33.3 | 177.2 | -74.2 | 178 | 179.9 | -155.3 | -4.7 | 112.2 | K73 K74 S79 V80 | K73-R77 WeakPolarHBondContact O-CG 3.41Å; K73-R77 PolarHBondContact O-N 3.29Å; K74-R77 PolarHBondContact O-N 3.18Å; R77-S79 PolarHBondContact O-N 3.18Å; R77-V80 PolarHBondContact O-N 3.14Å |
| 78 | V | 65.4 | Low | 73.7 | Confident | 76 Ų | 76 | 105.7 Ų | 105.7 | 46% | 0.461 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -70.3 | -21.7 | -176.6 | 179.5 | 0 | 0 | 0 | 0 | 112.1 | K74 V80 E81 A82 | K74-V78 WeakPolarHBondContact O-CG2 3.41Å; K74-V78 PolarHBondContact O-N 3.42Å; V78-V80 PolarHBondContact O-N 3.47Å; V78-V80 VanDerWaalsContact O-N 3.17Å; V78-E81 PolarHBondContact O-N 2.9Å; V78-A82 HydrophobicContact CG1-CB 4.28Å; V78-A82 WeakPolarHBondContact O-CB 3.36Å; V78-A82 PolarHBondContact O-N 3.37Å; V78-A82 VanDerWaalsContact O-N 3.09Å |
| 79 | S | 59.5 | Low | 71.4 | Confident | 96 Ų | 96 | 112.7 Ų | 112.7 | 67% | 0.671 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -13.8 | 176.3 | -63.6 | 0 | 0 | 0 | 0 | 114.8 | R77 | R77-S79 PolarHBondContact O-N 3.18Š|
| 80 | V | 59.9 | Low | 69 | Low | 126 Ų | 126 | 116.7 Ų | 116.7 | 76% | 0.764 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -21.2 | 177.6 | -170.9 | 0 | 0 | 0 | 0 | 112.1 | R77 V78 | R77-V80 PolarHBondContact O-N 3.14Å; V78-V80 PolarHBondContact O-N 3.47Å; V78-V80 VanDerWaalsContact O-N 3.17Å |
| 81 | E | 57.4 | Low | 67 | Low | 158 Ų | 158 | 116.1 Ų | 116.1 | 74% | 0.738 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.6 | -15.9 | -175.7 | -64.1 | 177.8 | 125.4 | 0 | 0 | 113.1 | V78 A83 | V78-E81 PolarHBondContact O-N 2.9Å; E81-A83 VanDerWaalsContact C-N 3.33Å; E81-A83 PolarHBondContact O-N 3.02Å |
| 82 | A | 57 | Low | 64.7 | Low | 63 Ų | 63 | 115.3 Ų | 115.3 | 52% | 0.521 | 64% | 0.64 | S | S | . | * | G | 310 helix | trans | -82.7 | 0.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | V78 D84 | V78-A82 HydrophobicContact CG1-CB 4.28Å; V78-A82 WeakPolarHBondContact O-CB 3.36Å; V78-A82 PolarHBondContact O-N 3.37Å; V78-A82 VanDerWaalsContact O-N 3.09Å; A82-D84 VanDerWaalsContact C-N 3.31Å |
| 83 | A | 56.4 | Low | 62.8 | Low | 95 Ų | 95 | 116.9 Ų | 116.9 | 79% | 0.785 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -80.2 | -7.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | E81 | E81-A83 VanDerWaalsContact C-N 3.33Å; E81-A83 PolarHBondContact O-N 3.02Å |
| 84 | D | 56.7 | Low | 60.4 | Low | 155 Ų | 155 | 120.3 Ų | 120.3 | 83% | 0.829 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -123.7 | 19.6 | -172.9 | -163.1 | 39.3 | 0 | 0 | 0 | 114.6 | A82 | A82-D84 VanDerWaalsContact C-N 3.31Š|
| 85 | S | 52.3 | Low | 58.3 | Low | 101 Ų | 101 | 116.4 Ų | 116.4 | 71% | 0.706 | 68% | 0.68 | S | S | * | * | trans | -142 | 65.9 | 176.6 | -145.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 86 | S | 50.2 | Low | 56.8 | Low | 119 Ų | 119 | 120.5 Ų | 120.5 | 83% | 0.832 | 70% | 0.698 | S | S | * | * | trans | -96.7 | 80.3 | 163.1 | -66.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 87 | T | 50.9 | Low | 55.4 | Low | 117 Ų | 117 | 122.7 Ų | 122.7 | 72% | 0.718 | 72% | 0.715 | S | S | * | * | trans | -147.3 | 97.4 | 166.9 | -30.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 88 | E | 56 | Low | 54.6 | Low | 139 Ų | 139 | 119.9 Ų | 119.9 | 65% | 0.65 | 72% | 0.721 | S | S | * | * | trans | 68.1 | 123.8 | 131.4 | -55.5 | -73.1 | 105.2 | 0 | 0 | 121.3 | ||||
| 89 | K | 50.8 | Low | 54.8 | Low | 175 Ų | 175 | 123.6 Ų | 123.6 | 76% | 0.761 | 74% | 0.737 | S | S | * | * | trans | 82.9 | 108.6 | 141.3 | -63.7 | 161.5 | -176.3 | 158.2 | 0 | 117.2 | ||||
| 90 | D | 46.9 | Very low | 55.4 | Low | 147 Ų | 147 | 124.7 Ų | 124.7 | 79% | 0.786 | 74% | 0.742 | S | S | * | * | 69.5 | 136.5 | 77.8 | -169.7 | 67.7 | 0 | 0 | 0 | 113.6 | |||||
| 91 | S | 54.2 | Low | 55.9 | Low | 96 Ų | 96 | 127.7 Ų | 127.7 | 67% | 0.671 | 75% | 0.745 | S | S | * | * | trans | 94.9 | 106 | 168 | -66.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 92 | S | 47.9 | Very low | 56.7 | Low | 106 Ų | 106 | 124.3 Ų | 124.3 | 74% | 0.741 | 74% | 0.744 | S | S | * | * | 71.2 | 116.1 | 115.4 | -142.6 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 93 | V | 55.8 | Low | 57.3 | Low | 112 Ų | 112 | 130.2 Ų | 130.2 | 68% | 0.679 | 76% | 0.761 | S | S | * | * | 71.5 | 130.3 | 126.2 | 169.9 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 94 | Q | 44.6 | Very low | 57.7 | Low | 162 Ų | 162 | 131.1 Ų | 131.1 | 76% | 0.757 | 76% | 0.761 | S | S | * | * | trans | 59.1 | 110.8 | 155.9 | -81.6 | 164.1 | -61.4 | 0 | 0 | 120 | ||||
| 95 | G | 48.3 | Very low | 58.2 | Low | 74 Ų | 74 | 127.3 Ų | 127.3 | 76% | 0.763 | 76% | 0.759 | S | S | * | * | trans | -137 | 89.9 | 161.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | T97 | G95-T97 PolarHBondContact O-N 3.36Š| ||
| 96 | Q | 59 | Low | 58.8 | Low | 161 Ų | 161 | 128 Ų | 128 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | trans | -63.8 | 117.6 | 174.6 | -59.2 | 169.2 | 55.1 | 0 | 0 | 108.6 | S98 | Q96-S98 PolarHBondContact O-N 3.3Š| ||
| 97 | T | 57.3 | Low | 59.6 | Low | 131 Ų | 131 | 126 Ų | 126 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | -86.2 | 92.3 | 171.1 | 60.2 | 0 | 0 | 0 | 0 | 108.5 | G95 I99 | G95-T97 PolarHBondContact O-N 3.36Å; T97-I99 PolarHBondContact O-N 3.33Å | ||
| 98 | S | 60.5 | Low | 60.6 | Low | 109 Ų | 109 | 128.4 Ų | 128.4 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | trans | -66.4 | 115.8 | 172.3 | -54.6 | 0 | 0 | 0 | 0 | 109.8 | Q96 | Q96-S98 PolarHBondContact O-N 3.3Š| ||
| 99 | I | 70.3 | Confident | 60.9 | Low | 153 Ų | 153 | 127 Ų | 127 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -85 | 122.7 | 171.2 | -47 | 172.6 | 0 | 0 | 0 | 106.9 | T97 F101 | T97-I99 PolarHBondContact O-N 3.33Å; I99-F101 PolarHBondContact O-N 3.35Å |
| 100 | P | 71 | Confident | 61.6 | Low | 119 Ų | 119 | 128.9 Ų | 128.9 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 123.5 | 175.4 | 26.1 | -30.7 | 0 | 0 | 0 | 110.4 | A102 | P100-A102 PolarHBondContact O-N 3.09Š|
| 101 | F | 70.7 | Confident | 62.3 | Low | 189 Ų | 189 | 128 Ų | 128 | 83% | 0.829 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 117.1 | 172.1 | 174.2 | -100.5 | 0 | 0 | 0 | 109.5 | I99 | I99-F101 PolarHBondContact O-N 3.35Š|
| 102 | A | 75 | Confident | 62.8 | Low | 88 Ų | 88 | 129.6 Ų | 129.6 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 124.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | P100 S104 | P100-A102 PolarHBondContact O-N 3.09Å; A102-S104 PolarHBondContact O-N 3.17Å |
| 103 | Q | 67.9 | Low | 63.6 | Low | 187 Ų | 187 | 130.9 Ų | 130.9 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 125.3 | 174.1 | -85.3 | 173.6 | -88.1 | 0 | 0 | 111.3 | G105 | Q103-G105 PolarHBondContact O-N 3.24Š|
| 104 | S | 65.5 | Low | 64 | Low | 113 Ų | 113 | 132.1 Ų | 132.1 | 79% | 0.79 | 82% | 0.82 | S | S | * | * | trans | -64.7 | 110.2 | 161.5 | 165.4 | 0 | 0 | 0 | 0 | 109.5 | A102 S106 | A102-S104 PolarHBondContact O-N 3.17Å; S104-S106 PolarHBondContact O-N 3.41Å | ||
| 105 | G | 67.5 | Low | 65.3 | Low | 75 Ų | 75 | 130.2 Ų | 130.2 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | trans | -74.3 | 111.9 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q103 | Q103-G105 PolarHBondContact O-N 3.24Š| ||
| 106 | S | 65.3 | Low | 66.4 | Low | 116 Ų | 116 | 133.9 Ų | 133.9 | 81% | 0.811 | 83% | 0.828 | S | S | * | * | trans | -67.8 | 125.7 | 163.7 | 45.5 | 0 | 0 | 0 | 0 | 110.4 | S104 | S104-S106 PolarHBondContact O-N 3.41Š| ||
| 107 | G | 67.3 | Low | 66.9 | Low | 76 Ų | 76 | 132 Ų | 132 | 78% | 0.784 | 83% | 0.834 | S | S | * | * | trans | -133.9 | 120.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 108 | L | 71.3 | Confident | 67.7 | Low | 168 Ų | 168 | 132.1 Ų | 132.1 | 88% | 0.88 | 84% | 0.836 | S | S | * | * | trans | -56.5 | 156.7 | -169.4 | -101.2 | 64.8 | 0 | 0 | 0 | 116.4 | ||||
| 109 | S | 62.8 | Low | 68.3 | Low | 109 Ų | 109 | 134 Ų | 134 | 76% | 0.762 | 84% | 0.842 | S | S | * | * | trans | -75.7 | 141.3 | 164.8 | 64.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 110 | T | 64.6 | Low | 68.1 | Low | 215 Ų | 215 | 132.3 Ų | 132.3 | 100% | 1.319 | 85% | 0.847 | S | S | * | * | trans | -150 | 0 | 135.1 | -65.6 | 0 | 0 | 0 | 0 | 106.7 |
Retrieved 110 of 110 residues in 45.7 ms
(Link to these results)