| 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 | 35.3 | Very low | 46.9 | Very low | 230 Ų | 230 | 146.4 Ų | 146.4 | 100% | 1.133 | 77% | 0.767 | S | S | * | * | 0 | 91 | 0 | -71.7 | 162.8 | 171.4 | 0 | 0 | 106.1 | |||||
| 2 | E | 41.4 | Very low | 47.3 | Very low | 176 Ų | 176 | 140.4 Ų | 140.4 | 82% | 0.822 | 74% | 0.736 | S | S | * | * | 85.1 | 90.3 | 105 | -76 | -178.3 | 152.3 | 0 | 0 | 110.7 | |||||
| 3 | R | 44.7 | Very low | 48 | Very low | 242 Ų | 242 | 143.8 Ų | 143.8 | 91% | 0.913 | 74% | 0.735 | S | S | * | * | 61.9 | 94.3 | 105.7 | -66.8 | -149.5 | -148.3 | -160.4 | 9.6 | 112.6 | |||||
| 4 | Q | 44.7 | Very low | 48.6 | Very low | 202 Ų | 202 | 140.4 Ų | 140.4 | 94% | 0.944 | 72% | 0.719 | S | S | * | * | trans | -104.7 | 113.8 | 144.2 | -75.4 | -136.5 | 7.8 | 0 | 0 | 107.8 | ||||
| 5 | G | 42.3 | Very low | 48.8 | Very low | 64 Ų | 64 | 134.8 Ų | 134.8 | 66% | 0.66 | 69% | 0.688 | S | S | * | * | trans | -73.6 | 127.9 | -174 | 0 | 0 | 0 | 0 | 0 | 112.4 | L7 | G5-L7 PolarHBondContact O-N 3.16Å; G5-L7 VanDerWaalsContact O-N 3.07Å | ||
| 6 | R | 44.4 | Very low | 49.2 | Very low | 208 Ų | 208 | 131.8 Ų | 131.8 | 79% | 0.785 | 68% | 0.677 | S | S | * | * | trans | -62.9 | 98 | 152 | -89.1 | -178.4 | 161.7 | 172.1 | -6 | 107.8 | G8 | R6-G8 PolarHBondContact O-N 3.18Š| ||
| 7 | L | 47.6 | Very low | 49.4 | Very low | 185 Ų | 185 | 128 Ų | 128 | 97% | 0.969 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | 35.7 | 172.7 | -72.9 | 166.9 | 0 | 0 | 0 | 112.1 | G5 | G5-L7 PolarHBondContact O-N 3.16Å; G5-L7 VanDerWaalsContact O-N 3.07Å |
| 8 | G | 52.1 | Low | 49.5 | Very low | 45 Ų | 45 | 127.4 Ų | 127.4 | 46% | 0.464 | 66% | 0.663 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108.5 | -23.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | R6 | R6-G8 PolarHBondContact O-N 3.18Š|
| 9 | D | 55.8 | Low | 49.9 | Very low | 93 Ų | 93 | 124.9 Ų | 124.9 | 50% | 0.497 | 65% | 0.65 | S | S | . | * | S | Bend | trans | -98.8 | -23.2 | -161.3 | -61.6 | -28.9 | 0 | 0 | 0 | 114.2 | L12 Y13 | D9-L12 PolarHBondContact O-N 3.04Å; D9-Y13 PolarHBondContact O-N 3.43Å; D9-Y13 VanDerWaalsContact O-N 3.14Å |
| 10 | S | 53 | Low | 49.9 | Very low | 89 Ų | 89 | 124.7 Ų | 124.7 | 62% | 0.622 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -67.9 | -40.1 | -176.7 | -127.6 | 0 | 0 | 0 | 0 | 112.3 | L12 Y13 D14 | S10-L12 VanDerWaalsContact C-N 3.27Å; S10-L12 PolarHBondContact O-N 3.34Å; S10-Y13 PolarHBondContact O-N 3.16Å; S10-D14 WeakPolarHBondContact O-CB 3.29Å; S10-D14 PolarHBondContact O-N 3.19Å |
| 11 | A | 54.8 | Low | 49.9 | Very low | 76 Ų | 76 | 125.4 Ų | 125.4 | 63% | 0.628 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -69.1 | -25.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | F15 | A11-F15 VanDerWaalsContact O-CB 3.29Å; A11-F15 WeakPolarHBondContact O-CB 3.4Å; A11-F15 PolarHBondContact O-N 3.48Å |
| 12 | L | 51.8 | Low | 50.4 | Low | 75 Ų | 75 | 122 Ų | 122 | 39% | 0.393 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -79.7 | -38.7 | 175.4 | -87.3 | 173.2 | 0 | 0 | 0 | 112.1 | D9 S10 F15 V16 V167 | D9-L12 PolarHBondContact O-N 3.04Å; S10-L12 VanDerWaalsContact C-N 3.27Å; S10-L12 PolarHBondContact O-N 3.34Å; L12-F15 PolarHBondContact O-N 2.75Å; L12-V16 WeakPolarHBondContact O-CG2 3.39Å; L12-V16 PolarHBondContact O-N 3.08Å; L12-V16 VanDerWaalsContact O-N 3.09Å; L12-V167 HydrophobicContact CD2-CG1 4.19Å; L12-V167 HydrophobicContact CD2-CG2 3.5Å |
| 13 | Y | 56.2 | Low | 50.6 | Low | 184 Ų | 184 | 121.9 Ų | 121.9 | 72% | 0.722 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -68.5 | -38.1 | 173.9 | -112.2 | -87.2 | 0 | 0 | 0 | 112.6 | D9 S10 F15 S17 | D9-Y13 PolarHBondContact O-N 3.43Å; D9-Y13 VanDerWaalsContact O-N 3.14Å; S10-Y13 PolarHBondContact O-N 3.16Å; Y13-F15 VanDerWaalsContact C-N 3.34Å; Y13-S17 WeakPolarHBondContact O-CB 3.48Å; Y13-S17 PolarHBondContact O-N 3.48Å; Y13-S17 PolarHBondContact O-OG 3.39Å |
| 14 | D | 56.4 | Low | 50.5 | Low | 97 Ų | 97 | 117.4 Ų | 117.4 | 52% | 0.519 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -64 | -40.5 | 173.5 | -70.9 | -15.6 | 0 | 0 | 0 | 110.7 | S10 S17 D18 | S10-D14 WeakPolarHBondContact O-CB 3.29Å; S10-D14 PolarHBondContact O-N 3.19Å; D14-S17 PolarHBondContact O-N 2.94Å; D14-D18 PolarHBondContact O-N 2.99Å |
| 15 | F | 51.6 | Low | 50.4 | Low | 56 Ų | 56 | 115.2 Ų | 115.2 | 25% | 0.246 | 62% | 0.619 | C | S | . | * | H | α-helix | trans | -68.1 | -39 | 178.9 | 178.2 | -107.9 | 0 | 0 | 0 | 114.2 | A11 L12 Y13 S17 D18 I19 | A11-F15 VanDerWaalsContact O-CB 3.29Å; A11-F15 WeakPolarHBondContact O-CB 3.4Å; A11-F15 PolarHBondContact O-N 3.48Å; L12-F15 PolarHBondContact O-N 2.75Å; Y13-F15 VanDerWaalsContact C-N 3.34Å; F15-S17 VanDerWaalsContact C-N 3.26Å; F15-S17 PolarHBondContact O-N 2.75Å; F15-D18 PolarHBondContact O-N 2.98Å; F15-I19 HydrophobicContact CD1-CD1 4.47Å; F15-I19 HydrophobicContact CE1-CD1 3.87Å; F15-I19 HydrophobicContact CE2-CD1 4.48Å; F15-I19 HydrophobicContact CZ-CD1 3.88Å; F15-I19 PolarHBondContact O-N 3.4Å |
| 16 | V | 55.8 | Low | 50.7 | Low | 86 Ų | 86 | 118.1 Ų | 118.1 | 52% | 0.521 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -67.9 | -30.7 | 175.3 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | L12 | L12-V16 WeakPolarHBondContact O-CG2 3.39Å; L12-V16 PolarHBondContact O-N 3.08Å; L12-V16 VanDerWaalsContact O-N 3.09Å |
| 17 | S | 52.2 | Low | 50.4 | Low | 68 Ų | 68 | 117.7 Ų | 117.7 | 48% | 0.476 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -73.1 | -38.3 | 176.6 | -56.9 | 0 | 0 | 0 | 0 | 112.2 | Y13 D14 F15 I19 N20 | Y13-S17 WeakPolarHBondContact O-CB 3.48Å; Y13-S17 PolarHBondContact O-N 3.48Å; Y13-S17 PolarHBondContact O-OG 3.39Å; D14-S17 PolarHBondContact O-N 2.94Å; F15-S17 VanDerWaalsContact C-N 3.26Å; F15-S17 PolarHBondContact O-N 2.75Å; S17-I19 VanDerWaalsContact C-N 3.31Å; S17-I19 PolarHBondContact O-N 3.41Å; S17-N20 PolarHBondContact O-N 3.48Å; S17-N20 VanDerWaalsContact O-N 3.17Å |
| 18 | D | 51.8 | Low | 50.2 | Low | 117 Ų | 117 | 114.3 Ų | 114.3 | 63% | 0.626 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66.6 | -27.8 | 178.3 | -75.8 | -16.4 | 0 | 0 | 0 | 113.8 | D14 F15 N20 | D14-D18 PolarHBondContact O-N 2.99Å; F15-D18 PolarHBondContact O-N 2.98Å; D18-N20 VanDerWaalsContact C-N 3.27Å; D18-N20 PolarHBondContact O-N 2.9Å |
| 19 | I | 56.4 | Low | 49.8 | Very low | 80 Ų | 80 | 118.1 Ų | 118.1 | 41% | 0.41 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -67.7 | -28.9 | 175 | -69.9 | 178.4 | 0 | 0 | 0 | 111.5 | F15 S17 | F15-I19 HydrophobicContact CD1-CD1 4.47Å; F15-I19 HydrophobicContact CE1-CD1 3.87Å; F15-I19 HydrophobicContact CE2-CD1 4.48Å; F15-I19 HydrophobicContact CZ-CD1 3.88Å; F15-I19 PolarHBondContact O-N 3.4Å; S17-I19 VanDerWaalsContact C-N 3.31Å; S17-I19 PolarHBondContact O-N 3.41Å |
| 20 | N | 50 | Low | 49.2 | Very low | 121 Ų | 121 | 119.1 Ų | 119.1 | 65% | 0.647 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -2.3 | -177.8 | -93.3 | -29.9 | 0 | 0 | 0 | 114.7 | S17 D18 | S17-N20 PolarHBondContact O-N 3.48Å; S17-N20 VanDerWaalsContact O-N 3.17Å; D18-N20 VanDerWaalsContact C-N 3.27Å; D18-N20 PolarHBondContact O-N 2.9Å |
| 21 | L | 49 | Very low | 48.4 | Very low | 140 Ų | 140 | 118.1 Ų | 118.1 | 73% | 0.733 | 65% | 0.654 | S | S | * | * | trans | -127.8 | 49.4 | -174.6 | -154.8 | 74.3 | 0 | 0 | 0 | 114 | ||||
| 22 | M | 47.2 | Very low | 48.1 | Very low | 158 Ų | 158 | 120.4 Ų | 120.4 | 78% | 0.778 | 67% | 0.665 | S | S | * | * | trans | -120 | 69.1 | 161.3 | -79.1 | -79.1 | 160.8 | 0 | 0 | 109.3 | I24 | M22-I24 VanDerWaalsContact C-N 3.35Å; M22-I24 PolarHBondContact O-N 3.12Å | ||
| 23 | E | 45.3 | Very low | 48.1 | Very low | 173 Ų | 173 | 126.5 Ų | 126.5 | 81% | 0.808 | 69% | 0.688 | S | S | * | * | trans | -64.4 | 96 | 160.7 | -165.4 | 174.9 | -168.6 | 0 | 0 | 107.8 | H25 | E23-H25 PolarHBondContact O-N 3.46Å; E23-H25 VanDerWaalsContact O-N 3.13Å | ||
| 24 | I | 43 | Very low | 47.7 | Very low | 148 Ų | 148 | 126.6 Ų | 126.6 | 76% | 0.759 | 70% | 0.695 | S | S | * | * | trans | -76.3 | 102.5 | 179.8 | -60.9 | 173.2 | 0 | 0 | 0 | 108.1 | M22 | M22-I24 VanDerWaalsContact C-N 3.35Å; M22-I24 PolarHBondContact O-N 3.12Å | ||
| 25 | H | 42.3 | Very low | 47.3 | Very low | 157 Ų | 157 | 129 Ų | 129 | 73% | 0.727 | 71% | 0.708 | S | S | * | * | trans | -53.1 | 129.3 | 163.9 | -78.1 | -98.2 | 0 | 0 | 0 | 110.6 | E23 K27 | E23-H25 PolarHBondContact O-N 3.46Å; E23-H25 VanDerWaalsContact O-N 3.13Å; H25-K27 PolarHBondContact O-N 3.42Å | ||
| 26 | P | 47.3 | Very low | 47 | Very low | 125 Ų | 125 | 133.3 Ų | 133.3 | 81% | 0.812 | 73% | 0.73 | S | S | * | * | trans | -69.2 | 114.6 | 172.4 | 27 | -31.7 | 0 | 0 | 0 | 109.7 | S28 | P26-S28 PolarHBondContact O-N 3.35Å; P26-S28 VanDerWaalsContact O-N 3.12Å | ||
| 27 | K | 39.3 | Very low | 46.4 | Very low | 199 Ų | 199 | 136.5 Ų | 136.5 | 87% | 0.865 | 74% | 0.744 | S | S | * | * | trans | -68.2 | 107.5 | 167.8 | -82.3 | -177.1 | 176.9 | 178.7 | 0 | 109.2 | H25 T29 | H25-K27 PolarHBondContact O-N 3.42Å; K27-T29 PolarHBondContact O-N 2.89Å | ||
| 28 | S | 43.3 | Very low | 45.8 | Very low | 113 Ų | 113 | 137.8 Ų | 137.8 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | trans | -54.2 | 119.5 | 160.3 | 179.4 | 0 | 0 | 0 | 0 | 109 | P26 | P26-S28 PolarHBondContact O-N 3.35Å; P26-S28 VanDerWaalsContact O-N 3.12Å | ||
| 29 | T | 44.3 | Very low | 45.4 | Very low | 125 Ų | 125 | 141.1 Ų | 141.1 | 77% | 0.767 | 76% | 0.763 | S | S | * | * | trans | -123.8 | 95.8 | 162.8 | -58.6 | 0 | 0 | 0 | 0 | 106.7 | K27 | K27-T29 PolarHBondContact O-N 2.89Š| ||
| 30 | S | 42.3 | Very low | 44.9 | Very low | 114 Ų | 114 | 144.7 Ų | 144.7 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | -68 | 127.8 | 158.7 | 56 | 0 | 0 | 0 | 0 | 108 | ||||
| 31 | G | 36.3 | Very low | 44.6 | Very low | 69 Ų | 69 | 144 Ų | 144 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | trans | -170.3 | 68 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111 | K33 | G31-K33 PolarHBondContact O-N 3.09Š| ||
| 32 | S | 47.9 | Very low | 44.7 | Very low | 123 Ų | 123 | 144.5 Ų | 144.5 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | -60.2 | 116 | 173.5 | -50.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 33 | K | 52 | Low | 44.6 | Very low | 203 Ų | 203 | 142.8 Ų | 142.8 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | -137.1 | 98.2 | 151.4 | -69.5 | -170.1 | 179.9 | 179.7 | 0 | 108.5 | G31 | G31-K33 PolarHBondContact O-N 3.09Š| ||
| 34 | Q | 47.8 | Very low | 44.4 | Very low | 186 Ų | 186 | 138.1 Ų | 138.1 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | trans | -58 | 132.6 | 157 | -68.4 | -176.1 | 17.2 | 0 | 0 | 108.5 | ||||
| 35 | L | 48 | Very low | 44.4 | Very low | 148 Ų | 148 | 142.3 Ų | 142.3 | 78% | 0.775 | 80% | 0.797 | S | S | * | * | trans | -153.5 | 102.7 | 141.8 | -86.7 | -168.6 | 0 | 0 | 0 | 109 | ||||
| 36 | M | 45.9 | Very low | 44.5 | Very low | 147 Ų | 147 | 144 Ų | 144 | 72% | 0.724 | 80% | 0.797 | S | S | * | * | trans | 41.2 | 95.8 | 150.4 | 58.5 | -170 | 156 | 0 | 0 | 118.8 | S38 | M36-S38 PolarHBondContact O-N 3.07Š| ||
| 37 | D | 42.3 | Very low | 44 | Very low | 152 Ų | 152 | 140.9 Ų | 140.9 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | -63.3 | 97.1 | 151.6 | -79.2 | -28.1 | 0 | 0 | 0 | 109.3 | F39 | D37-F39 HydrophobicContact CB-CD2 4.49Å; D37-F39 HydrophobicContact CB-CE2 4.24Å | ||
| 38 | S | 39.5 | Very low | 44.2 | Very low | 96 Ų | 96 | 139.5 Ų | 139.5 | 67% | 0.671 | 78% | 0.776 | S | S | * | * | trans | -94.8 | 94.9 | 161.1 | 35 | 0 | 0 | 0 | 0 | 107.5 | M36 L40 | M36-S38 PolarHBondContact O-N 3.07Å; S38-L40 PolarHBondContact O-N 3.29Å | ||
| 39 | F | 44.3 | Very low | 44.4 | Very low | 187 Ų | 187 | 144.5 Ų | 144.5 | 82% | 0.82 | 78% | 0.779 | S | S | * | * | trans | -54.1 | 103.5 | 163.7 | -72.8 | -92 | 0 | 0 | 0 | 108.8 | D37 | D37-F39 HydrophobicContact CB-CD2 4.49Å; D37-F39 HydrophobicContact CB-CE2 4.24Å | ||
| 40 | L | 44.9 | Very low | 44.6 | Very low | 155 Ų | 155 | 148.8 Ų | 148.8 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | trans | -74.9 | 122.5 | 161.1 | -72.9 | 173.3 | 0 | 0 | 0 | 107.4 | S38 V42 | S38-L40 PolarHBondContact O-N 3.29Å; L40-V42 PolarHBondContact O-N 3.46Å | ||
| 41 | P | 44.3 | Very low | 44.4 | Very low | 107 Ų | 107 | 150.4 Ų | 150.4 | 70% | 0.695 | 78% | 0.783 | S | S | * | * | trans | -66.2 | 124.1 | 176.4 | 25.9 | -31.4 | 0 | 0 | 0 | 109.6 | T43 | P41-T43 PolarHBondContact O-N 3.05Š| ||
| 42 | V | 52.2 | Low | 45 | Very low | 149 Ų | 149 | 153.6 Ų | 153.6 | 90% | 0.903 | 78% | 0.783 | S | S | * | * | trans | -60 | 100.3 | 168.1 | 171.9 | 0 | 0 | 0 | 0 | 108 | L40 | L40-V42 PolarHBondContact O-N 3.46Š| ||
| 43 | T | 45.3 | Very low | 44.6 | Very low | 123 Ų | 123 | 151.9 Ų | 151.9 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | -132.6 | 132.3 | 162.9 | 63.4 | 0 | 0 | 0 | 0 | 109 | P41 | P41-T43 PolarHBondContact O-N 3.05Š| ||
| 44 | G | 41.1 | Very low | 44.3 | Very low | 74 Ų | 74 | 152 Ų | 152 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | trans | 98.5 | 95.1 | 152.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 45 | Y | 42.5 | Very low | 43.9 | Very low | 236 Ų | 236 | 149.2 Ų | 149.2 | 93% | 0.925 | 76% | 0.763 | S | S | * | * | trans | -34.1 | 132.3 | 153.4 | -75 | -101.8 | 0 | 0 | 0 | 114.2 | ||||
| 46 | R | 44 | Very low | 43.2 | Very low | 194 Ų | 194 | 150.1 Ų | 150.1 | 73% | 0.732 | 77% | 0.769 | S | S | * | * | trans | -151.1 | 82.6 | 135.3 | -153.8 | 173.3 | -179 | -178 | 2.8 | 110.2 | R48 | R46-R48 PolarHBondContact O-N 3.32Š| ||
| 47 | G | 37 | Very low | 42.6 | Very low | 58 Ų | 58 | 146.8 Ų | 146.8 | 60% | 0.598 | 77% | 0.772 | S | S | * | * | trans | -52.6 | 110.1 | 164 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y49 | G47-Y49 VanDerWaalsContact C-N 3.33Å; G47-Y49 PolarHBondContact O-N 3Å | ||
| 48 | R | 42.5 | Very low | 42.3 | Very low | 170 Ų | 170 | 144.8 Ų | 144.8 | 64% | 0.642 | 77% | 0.769 | S | S | * | * | trans | -84.2 | 86 | 166.5 | -68.4 | -66.1 | -162.9 | 173.6 | 5.4 | 106.6 | R46 Y50 | R46-R48 PolarHBondContact O-N 3.32Å; R48-Y50 PolarHBondContact O-N 3.39Å | ||
| 49 | Y | 48.2 | Very low | 42.1 | Very low | 218 Ų | 218 | 149.2 Ų | 149.2 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | trans | -59.4 | 117 | 159.9 | -68.3 | -85.8 | 0 | 0 | 0 | 107.4 | G47 N51 | G47-Y49 VanDerWaalsContact C-N 3.33Å; G47-Y49 PolarHBondContact O-N 3Å; Y49-N51 PolarHBondContact O-N 3.36Å | ||
| 50 | Y | 48.5 | Very low | 41.8 | Very low | 216 Ų | 216 | 151.5 Ų | 151.5 | 85% | 0.847 | 78% | 0.782 | S | S | * | * | trans | -68.1 | 113 | 170.4 | -26.9 | -80.3 | 0 | 0 | 0 | 106.6 | R48 L52 | R48-Y50 PolarHBondContact O-N 3.39Å; Y50-L52 PolarHBondContact O-N 2.87Å | ||
| 51 | N | 37.8 | Very low | 41.3 | Very low | 147 Ų | 147 | 153.2 Ų | 153.2 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | trans | -71.5 | 108.9 | 174.7 | -148.8 | -49.5 | 0 | 0 | 0 | 107.6 | Y49 S53 | Y49-N51 PolarHBondContact O-N 3.36Å; N51-S53 VanDerWaalsContact C-N 3.35Å; N51-S53 PolarHBondContact O-N 3.42Å | ||
| 52 | L | 48.2 | Very low | 40.9 | Very low | 137 Ų | 137 | 155.2 Ų | 155.2 | 72% | 0.717 | 80% | 0.797 | S | S | * | * | trans | -88.5 | 76.4 | 172.7 | -172.5 | 68.4 | 0 | 0 | 0 | 107.7 | Y50 Y54 | Y50-L52 PolarHBondContact O-N 2.87Å; L52-Y54 HydrophobicContact CD1-CE2 4.32Å; L52-Y54 HydrophobicContact CD2-CD2 4.24Å; L52-Y54 HydrophobicContact CD2-CE2 3.64Å; L52-Y54 HydrophobicContact CG-CD2 4.01Å; L52-Y54 HydrophobicContact CG-CE2 3.81Å; L52-Y54 PolarHBondContact O-N 3.11Å | ||
| 53 | S | 40.3 | Very low | 39.9 | Very low | 87 Ų | 87 | 151.8 Ų | 151.8 | 61% | 0.608 | 79% | 0.791 | S | S | * | * | trans | -83.2 | 96.1 | 170.5 | 45.7 | 0 | 0 | 0 | 0 | 109.5 | N51 V55 | N51-S53 VanDerWaalsContact C-N 3.35Å; N51-S53 PolarHBondContact O-N 3.42Å; S53-V55 PolarHBondContact O-N 3.26Å | ||
| 54 | Y | 45.1 | Very low | 39.3 | Very low | 205 Ų | 205 | 152.5 Ų | 152.5 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -62.6 | 111 | 153 | -77.3 | -88.7 | 0 | 0 | 0 | 107.4 | L52 | L52-Y54 HydrophobicContact CD1-CE2 4.32Å; L52-Y54 HydrophobicContact CD2-CD2 4.24Å; L52-Y54 HydrophobicContact CD2-CE2 3.64Å; L52-Y54 HydrophobicContact CG-CD2 4.01Å; L52-Y54 HydrophobicContact CG-CE2 3.81Å; L52-Y54 PolarHBondContact O-N 3.11Å | ||
| 55 | V | 38.8 | Very low | 39 | Very low | 128 Ų | 128 | 154 Ų | 154 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | -92.8 | 102.8 | 169.9 | 175.7 | 0 | 0 | 0 | 0 | 108 | S53 | S53-V55 PolarHBondContact O-N 3.26Š| ||
| 56 | N | 34.8 | Very low | 38.5 | Very low | 167 Ų | 167 | 152.3 Ų | 152.3 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | trans | -157.4 | 118.4 | 152.7 | -101.6 | -20.9 | 0 | 0 | 0 | 107.8 | ||||
| 57 | G | 33.1 | Very low | 37.9 | Very low | 77 Ų | 77 | 146.3 Ų | 146.3 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | 159 | 87.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 58 | S | 35.8 | Very low | 37.7 | Very low | 109 Ų | 109 | 152.5 Ų | 152.5 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | trans | -45.7 | 127.2 | 165.7 | 171 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 59 | H | 34.5 | Very low | 37.3 | Very low | 189 Ų | 189 | 152.9 Ų | 152.9 | 88% | 0.875 | 82% | 0.816 | S | S | * | * | trans | -152.9 | 120.1 | 148.2 | -101.8 | -82 | 0 | 0 | 0 | 110 | ||||
| 60 | R | 38 | Very low | 36.8 | Very low | 235 Ų | 235 | 149.2 Ų | 149.2 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | trans | -80.7 | 132.7 | 167.8 | -65.5 | 165.5 | 101.7 | 145.3 | 2.2 | 107.3 | ||||
| 61 | E | 35.6 | Very low | 36.3 | Very low | 191 Ų | 191 | 141.5 Ų | 141.5 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | trans | -148.2 | 138.2 | 145.7 | -73.3 | -161.2 | 159.2 | 0 | 0 | 110.4 | ||||
| 62 | T | 35.8 | Very low | 36.3 | Very low | 149 Ų | 149 | 144 Ų | 144 | 91% | 0.914 | 81% | 0.809 | S | S | * | * | trans | -83.7 | 141.2 | 176.8 | 44.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 63 | G | 31.8 | Very low | 35.7 | Very low | 77 Ų | 77 | 140.9 Ų | 140.9 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | -171.3 | 127.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 64 | T | 31.8 | Very low | 35.9 | Very low | 139 Ų | 139 | 145.8 Ų | 145.8 | 85% | 0.853 | 82% | 0.823 | S | S | * | * | trans | -90.6 | 179.2 | -165.2 | 39.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 65 | S | 35.3 | Very low | 36.1 | Very low | 105 Ų | 105 | 141.5 Ų | 141.5 | 73% | 0.734 | 82% | 0.82 | S | S | * | * | trans | 77.6 | 107.2 | 161.1 | 50.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 66 | E | 30.6 | Very low | 36 | Very low | 201 Ų | 201 | 142.7 Ų | 142.7 | 94% | 0.939 | 82% | 0.822 | S | S | * | * | 97.6 | 131.7 | 75.2 | -85.6 | -170.4 | -173.1 | 0 | 0 | 111.3 | |||||
| 67 | G | 32.6 | Very low | 36.3 | Very low | 68 Ų | 68 | 142.4 Ų | 142.4 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | trans | 143.5 | 97.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 68 | E | 33.2 | Very low | 36.5 | Very low | 187 Ų | 187 | 146.2 Ų | 146.2 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | trans | 54.7 | 111.7 | 140.9 | -66.6 | 170.6 | 118.5 | 0 | 0 | 120.5 | ||||
| 69 | Q | 33.6 | Very low | 36.6 | Very low | 178 Ų | 178 | 147.8 Ų | 147.8 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | 71.3 | 137.1 | 72.4 | -84.2 | -175.1 | 70.7 | 0 | 0 | 117.1 | |||||
| 70 | T | 37.7 | Very low | 36.8 | Very low | 142 Ų | 142 | 142.6 Ų | 142.6 | 87% | 0.871 | 80% | 0.799 | S | S | * | * | trans | 82.7 | 130.2 | 173.8 | 78.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 71 | G | 38.6 | Very low | 37.2 | Very low | 53 Ų | 53 | 138.3 Ų | 138.3 | 55% | 0.546 | 80% | 0.798 | S | S | . | * | cis | 165.7 | 147.3 | 3.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 72 | H | 36.3 | Very low | 37.2 | Very low | 200 Ų | 200 | 132.3 Ų | 132.3 | 93% | 0.926 | 79% | 0.788 | S | S | * | * | trans | 50.6 | 134 | 145.6 | -42.8 | -60.8 | 0 | 0 | 0 | 119.6 | ||||
| 73 | G | 35.8 | Very low | 37.5 | Very low | 71 Ų | 71 | 131 Ų | 131 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | cis | 173.1 | 151.4 | 10.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 74 | H | 44.9 | Very low | 38.3 | Very low | 190 Ų | 190 | 133.7 Ų | 133.7 | 88% | 0.88 | 79% | 0.786 | S | S | * | * | trans | -67.9 | 153.7 | 167.4 | -79.6 | -105.6 | 0 | 0 | 0 | 110.6 | ||||
| 75 | P | 50.1 | Low | 38.6 | Very low | 115 Ų | 115 | 131.6 Ų | 131.6 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | -142 | 136.4 | 111.7 | 31.5 | -14.5 | 0 | 0 | 0 | 115.4 | |||||
| 76 | L | 36.3 | Very low | 39.2 | Very low | 154 Ų | 154 | 130.7 Ų | 130.7 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | trans | 29.1 | 117.5 | 133.7 | -50.9 | -178.9 | 0 | 0 | 0 | 119.5 | ||||
| 77 | H | 41.6 | Very low | 39.8 | Very low | 160 Ų | 160 | 130.8 Ų | 130.8 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | -153.6 | 106.5 | 113.8 | -136.8 | 154.1 | 0 | 0 | 0 | 111.3 | M79 | H77-M79 WeakPolarHBondContact CD2-CE 3.43Å; H77-M79 WeakPolarHBondContact CE1-CE 3.47Å; H77-M79 WeakPolarHBondContact ND1-CE 3.47Å; H77-M79 WeakPolarHBondContact NE2-CE 3.33Å | |||
| 78 | E | 37 | Very low | 40.3 | Very low | 157 Ų | 157 | 133 Ų | 133 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | trans | -69.7 | 124.7 | 161.5 | 172.7 | -179.2 | 176.2 | 0 | 0 | 109.4 | ||||
| 79 | M | 36.6 | Very low | 40.5 | Very low | 142 Ų | 142 | 134.4 Ų | 134.4 | 70% | 0.7 | 77% | 0.768 | S | S | * | * | trans | -138.4 | 89.4 | 158.4 | -49.6 | -68.4 | -165.3 | 0 | 0 | 107.6 | H77 | H77-M79 WeakPolarHBondContact CD2-CE 3.43Å; H77-M79 WeakPolarHBondContact CE1-CE 3.47Å; H77-M79 WeakPolarHBondContact ND1-CE 3.47Å; H77-M79 WeakPolarHBondContact NE2-CE 3.33Å | ||
| 80 | A | 39.3 | Very low | 41 | Very low | 81 Ų | 81 | 136 Ų | 136 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | trans | -69.1 | 127.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 81 | T | 47.2 | Very low | 41.5 | Very low | 144 Ų | 144 | 134.6 Ų | 134.6 | 88% | 0.883 | 76% | 0.764 | S | S | * | * | trans | -130.9 | 71 | 145.7 | 53.7 | 0 | 0 | 0 | 0 | 108.2 | S83 | T81-S83 PolarHBondContact O-N 3.13Š| ||
| 82 | G | 34.8 | Very low | 42.3 | Very low | 66 Ų | 66 | 138 Ų | 138 | 68% | 0.68 | 78% | 0.776 | S | S | * | * | trans | -67.4 | 108.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | T84 | G82-T84 PolarHBondContact O-N 2.97Š| ||
| 83 | S | 42.3 | Very low | 42.6 | Very low | 122 Ų | 122 | 131.3 Ų | 131.3 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | trans | -77.6 | 91.8 | 157.9 | -174.8 | 0 | 0 | 0 | 0 | 107.7 | T81 S85 | T81-S83 PolarHBondContact O-N 3.13Å; S83-S85 PolarHBondContact O-N 2.95Å | ||
| 84 | T | 48.6 | Very low | 43.3 | Very low | 132 Ų | 132 | 133.4 Ų | 133.4 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | trans | -91 | 92.4 | 176.1 | -50.2 | 0 | 0 | 0 | 0 | 108.1 | G82 | G82-T84 PolarHBondContact O-N 2.97Š| ||
| 85 | S | 39.3 | Very low | 43.4 | Very low | 96 Ų | 96 | 133.7 Ų | 133.7 | 67% | 0.671 | 76% | 0.764 | S | S | * | * | trans | -87.2 | 112.1 | 167.1 | -169 | 0 | 0 | 0 | 0 | 108.8 | S83 Y87 | S83-S85 PolarHBondContact O-N 2.95Å; S85-Y87 PolarHBondContact O-N 3.33Å | ||
| 86 | A | 47.5 | Very low | 43.2 | Very low | 86 Ų | 86 | 132.9 Ų | 132.9 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | trans | -64 | 123.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 87 | Y | 42.3 | Very low | 43.5 | Very low | 203 Ų | 203 | 134.1 Ų | 134.1 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | trans | -129.5 | 129.1 | 157.3 | -88.3 | -84 | 0 | 0 | 0 | 110.1 | S85 | S85-Y87 PolarHBondContact O-N 3.33Š| ||
| 88 | T | 43.3 | Very low | 43.9 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 69% | 0.693 | 77% | 0.768 | S | S | * | * | trans | -58.1 | 121.7 | -167.5 | -41.6 | 0 | 0 | 0 | 0 | 113.2 | Y90 | T88-Y90 PolarHBondContact O-N 3.44Š| ||
| 89 | Y | 37.5 | Very low | 44.3 | Very low | 218 Ų | 218 | 130.6 Ų | 130.6 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | trans | -81.1 | 109.9 | 163 | -79.7 | -84.4 | 0 | 0 | 0 | 109.1 | S91 | Y89-S91 PolarHBondContact O-N 3.21Š| ||
| 90 | Y | 44.3 | Very low | 44.9 | Very low | 212 Ų | 212 | 132.6 Ų | 132.6 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | trans | -69.9 | 115.6 | 159.8 | -76.3 | -82.1 | 0 | 0 | 0 | 108.3 | T88 P92 | T88-Y90 PolarHBondContact O-N 3.44Å; Y90-P92 WeakPolarHBondContact O-CD 3.23Å | ||
| 91 | S | 47.9 | Very low | 45.1 | Very low | 112 Ų | 112 | 134.9 Ų | 134.9 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -81 | 117.6 | 166.7 | -74.3 | 0 | 0 | 0 | 0 | 109.4 | Y89 | Y89-S91 PolarHBondContact O-N 3.21Š|
| 92 | P | 54.7 | Low | 45.4 | Very low | 123 Ų | 123 | 137 Ų | 137 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 119.6 | 166 | -1.1 | 20.6 | 0 | 0 | 0 | 108.2 | Y90 | Y90-P92 WeakPolarHBondContact O-CD 3.23Š|
| 93 | G | 44.1 | Very low | 45.9 | Very low | 60 Ų | 60 | 139.6 Ų | 139.6 | 62% | 0.619 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -55 | 139.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | F95 | G93-F95 PolarHBondContact O-N 3.02Š|
| 94 | S | 50.8 | Low | 46.2 | Very low | 116 Ų | 116 | 138.4 Ų | 138.4 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | trans | -74.8 | 113.1 | 166.2 | -72.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 95 | F | 47.1 | Very low | 46.5 | Very low | 195 Ų | 195 | 140 Ų | 140 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | trans | -117.6 | 115.5 | 162.8 | -70.8 | -77.9 | 0 | 0 | 0 | 108.3 | G93 | G93-F95 PolarHBondContact O-N 3.02Š| ||
| 96 | S | 46 | Very low | 46.9 | Very low | 99 Ų | 99 | 141 Ų | 141 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | trans | -106.4 | 102.2 | -176.8 | -50 | 0 | 0 | 0 | 0 | 110 | ||||
| 97 | H | 41.9 | Very low | 47.3 | Very low | 180 Ų | 180 | 145.7 Ų | 145.7 | 83% | 0.833 | 79% | 0.787 | S | S | * | * | trans | -156.3 | 138.2 | 159.8 | -67.1 | -69.4 | 0 | 0 | 0 | 104.5 | ||||
| 98 | T | 48.9 | Very low | 47.8 | Very low | 138 Ų | 138 | 142.4 Ų | 142.4 | 85% | 0.847 | 79% | 0.789 | S | S | * | * | cis | -168.4 | 169.4 | 39.8 | -11.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 99 | S | 45.3 | Very low | 48.1 | Very low | 105 Ų | 105 | 140.5 Ų | 140.5 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | trans | -63.6 | 161.1 | -167.6 | -44.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 100 | H | 50.9 | Low | 49.2 | Very low | 184 Ų | 184 | 141.5 Ų | 141.5 | 85% | 0.852 | 79% | 0.793 | S | S | * | * | trans | -11.8 | 129.3 | 162.1 | -61.7 | -82.6 | 0 | 0 | 0 | 119.7 | ||||
| 101 | T | 42.8 | Very low | 49.7 | Very low | 128 Ų | 128 | 136.2 Ų | 136.2 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | -146.3 | 132.9 | 148.2 | 54.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 102 | H | 53.8 | Low | 50.1 | Low | 188 Ų | 188 | 140.6 Ų | 140.6 | 87% | 0.87 | 79% | 0.793 | S | S | * | * | trans | -70.8 | 126.9 | 169.3 | -74.1 | -104.8 | 0 | 0 | 0 | 110.9 | ||||
| 103 | T | 45.3 | Very low | 50.5 | Low | 121 Ų | 121 | 145.4 Ų | 145.4 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | -151.2 | 118.4 | 158.7 | 49.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 104 | S | 48.1 | Very low | 51.4 | Low | 97 Ų | 97 | 153.5 Ų | 153.5 | 68% | 0.678 | 81% | 0.807 | S | S | * | * | trans | 23.5 | 123.2 | 139.1 | 45.9 | 0 | 0 | 0 | 0 | 121.2 | T106 | S104-T106 PolarHBondContact O-N 3.4Š| ||
| 105 | D | 55.8 | Low | 52.2 | Low | 166 Ų | 166 | 159.1 Ų | 159.1 | 89% | 0.888 | 81% | 0.81 | S | S | * | * | trans | 4.6 | 105.9 | 140.4 | -158.7 | 11 | 0 | 0 | 0 | 115.9 | ||||
| 106 | T | 46.9 | Very low | 53.3 | Low | 116 Ų | 116 | 156.2 Ų | 156.2 | 71% | 0.712 | 81% | 0.808 | S | S | * | * | trans | -144.4 | 123.3 | 163.4 | 47.7 | 0 | 0 | 0 | 0 | 110 | S104 T108 | S104-T106 PolarHBondContact O-N 3.4Å; T106-T108 PolarHBondContact O-N 3.13Å | ||
| 107 | H | 55.6 | Low | 54.7 | Low | 185 Ų | 185 | 157.6 Ų | 157.6 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | trans | 6.1 | 103.4 | 160.1 | -57.2 | -73.9 | 0 | 0 | 0 | 115.8 | G109 | H107-G109 VanDerWaalsContact C-N 3.28Å; H107-G109 PolarHBondContact O-N 3.41Å | ||
| 108 | T | 52.8 | Low | 56.8 | Low | 135 Ų | 135 | 153.5 Ų | 153.5 | 83% | 0.828 | 79% | 0.79 | S | S | * | * | trans | -58.6 | 96 | 166.1 | 59.1 | 0 | 0 | 0 | 0 | 108.5 | T106 R110 | T106-T108 PolarHBondContact O-N 3.13Å; T108-R110 VanDerWaalsContact C-N 3.3Å; T108-R110 PolarHBondContact O-N 3.32Å | ||
| 109 | G | 50.6 | Low | 58.8 | Low | 72 Ų | 72 | 151.6 Ų | 151.6 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | trans | -53.4 | 99.8 | 165.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | H107 S111 | H107-G109 VanDerWaalsContact C-N 3.28Å; H107-G109 PolarHBondContact O-N 3.41Å; G109-S111 PolarHBondContact O-N 3.05Å | ||
| 110 | R | 59.5 | Low | 60.9 | Low | 239 Ų | 239 | 148.3 Ų | 148.3 | 90% | 0.902 | 76% | 0.761 | S | S | * | * | trans | -69.5 | 87.5 | -178.4 | -144.6 | 174.7 | -166.5 | 173.4 | 4.8 | 105.7 | T108 K112 | T108-R110 VanDerWaalsContact C-N 3.3Å; T108-R110 PolarHBondContact O-N 3.32Å; R110-K112 PolarHBondContact O-N 3.49Å; R110-K112 VanDerWaalsContact O-N 3.08Å | ||
| 111 | S | 54.3 | Low | 62.8 | Low | 102 Ų | 102 | 145.8 Ų | 145.8 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | trans | -39.3 | 120.3 | 172.9 | 173.7 | 0 | 0 | 0 | 0 | 107.2 | G109 R113 | G109-S111 PolarHBondContact O-N 3.05Å; S111-R113 PolarHBondContact O-N 3.32Å | ||
| 112 | K | 57.7 | Low | 65.3 | Low | 204 Ų | 204 | 147.7 Ų | 147.7 | 89% | 0.887 | 74% | 0.743 | S | S | * | * | trans | -66.6 | 71.7 | -178.9 | -165.3 | 175.7 | -173 | 176.9 | 0 | 107.1 | R110 R114 | R110-K112 PolarHBondContact O-N 3.49Å; R110-K112 VanDerWaalsContact O-N 3.08Å; K112-R114 VanDerWaalsContact C-N 3.35Å; K112-R114 PolarHBondContact O-N 3.08Å | ||
| 113 | R | 62.5 | Low | 67.3 | Low | 224 Ų | 224 | 144.5 Ų | 144.5 | 85% | 0.845 | 73% | 0.728 | S | S | * | * | trans | -60.9 | 100.9 | -178.9 | -151.4 | 176.1 | -166.7 | 171.3 | 4.3 | 104.4 | S111 R115 | S111-R113 PolarHBondContact O-N 3.32Å; R113-R115 PolarHBondContact O-N 3.1Å | ||
| 114 | R | 63.4 | Low | 69.6 | Low | 230 Ų | 230 | 140.8 Ų | 140.8 | 87% | 0.868 | 71% | 0.71 | S | S | * | * | trans | -48.5 | 108.8 | 172.7 | -92.2 | 175.2 | 68.9 | -179.4 | 1.1 | 105.2 | K112 V116 | K112-R114 VanDerWaalsContact C-N 3.35Å; K112-R114 PolarHBondContact O-N 3.08Å; R114-V116 VanDerWaalsContact C-N 3.32Å; R114-V116 PolarHBondContact O-N 3.34Å | ||
| 115 | R | 66.9 | Low | 71.8 | Confident | 234 Ų | 234 | 138 Ų | 138 | 88% | 0.883 | 69% | 0.693 | S | S | * | * | trans | -62.7 | 102.4 | 177.4 | -70.3 | -177.7 | -172.2 | 166.9 | 2.1 | 105.3 | R113 I117 | R113-R115 PolarHBondContact O-N 3.1Å; R115-I117 PolarHBondContact O-N 2.96Å | ||
| 116 | V | 70.9 | Confident | 73.8 | Confident | 133 Ų | 133 | 133.9 Ų | 133.9 | 81% | 0.806 | 67% | 0.671 | S | S | * | * | trans | -61.3 | 109.6 | 167 | 179.5 | 0 | 0 | 0 | 0 | 104.4 | R114 N118 | R114-V116 VanDerWaalsContact C-N 3.32Å; R114-V116 PolarHBondContact O-N 3.34Å; V116-N118 PolarHBondContact O-N 3.06Å | ||
| 117 | I | 74.5 | Confident | 76.2 | Confident | 128 Ų | 128 | 132.1 Ų | 132.1 | 66% | 0.656 | 66% | 0.66 | S | S | * | * | trans | -63.8 | 106.1 | -178.8 | -62.7 | 176.8 | 0 | 0 | 0 | 106.4 | R115 V119 R122 | R115-I117 PolarHBondContact O-N 2.96Å; I117-V119 PolarHBondContact O-N 3.42Å; I117-R122 HydrophobicContact CG2-CB 4.24Å | ||
| 118 | N | 86.6 | Confident | 78.3 | Confident | 94 Ų | 94 | 130.8 Ų | 130.8 | 50% | 0.503 | 65% | 0.647 | S | S | . | * | trans | -67.2 | 126 | 176.6 | -177.4 | -37.6 | 0 | 0 | 0 | 108.2 | V116 G120 Q121 R122 | V116-N118 PolarHBondContact O-N 3.06Å; N118-G120 PolarHBondContact O-N 3.44Å; N118-G120 PolarHBondContact OD1-N 3.08Å; N118-Q121 HydrophobicContact CB-CB 4.27Å; N118-Q121 HydrophobicContact CB-CG 3.97Å; N118-Q121 WeakPolarHBondContact O-CA 3.4Å; N118-Q121 WeakPolarHBondContact O-CB 3.36Å; N118-Q121 PolarHBondContact O-N 2.93Å; N118-R122 PolarHBondContact O-N 3.25Å; N118-R122 VanDerWaalsContact O-N 3.08Å | ||
| 119 | V | 89.6 | Confident | 80.4 | Confident | 99 Ų | 99 | 128.4 Ų | 128.4 | 60% | 0.6 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -54 | -38 | -179.3 | 178.7 | 0 | 0 | 0 | 0 | 111.3 | I117 Q121 R122 Q123 | I117-V119 PolarHBondContact O-N 3.42Å; V119-Q121 PolarHBondContact O-N 3.04Å; V119-R122 PolarHBondContact O-N 3.33Å; V119-Q123 WeakPolarHBondContact O-CG 3.34Å; V119-Q123 PolarHBondContact O-N 3.17Å |
| 120 | G | 89.7 | Confident | 82.7 | Confident | 36 Ų | 36 | 134 Ų | 134 | 37% | 0.371 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -64.2 | -38.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | N118 Q123 A124 | N118-G120 PolarHBondContact O-N 3.44Å; N118-G120 PolarHBondContact OD1-N 3.08Å; G120-Q123 PolarHBondContact O-N 3.45Å; G120-A124 WeakPolarHBondContact O-CB 3.4Å; G120-A124 PolarHBondContact O-N 3.46Å |
| 121 | Q | 92.4 | Very high | 84.6 | Confident | 131 Ų | 131 | 129.7 Ų | 129.7 | 61% | 0.612 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -66.3 | -39.4 | 174.8 | -69.7 | 177.5 | -20.8 | 0 | 0 | 111.6 | N118 V119 A125 | N118-Q121 HydrophobicContact CB-CB 4.27Å; N118-Q121 HydrophobicContact CB-CG 3.97Å; N118-Q121 WeakPolarHBondContact O-CA 3.4Å; N118-Q121 WeakPolarHBondContact O-CB 3.36Å; N118-Q121 PolarHBondContact O-N 2.93Å; V119-Q121 PolarHBondContact O-N 3.04Å; Q121-A125 WeakPolarHBondContact O-CB 3.29Å; Q121-A125 PolarHBondContact O-N 3.24Å |
| 122 | R | 94.3 | Very high | 86.7 | Confident | 167 Ų | 167 | 132.1 Ų | 132.1 | 63% | 0.63 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.5 | -44.6 | 175.8 | -173.6 | 178.9 | 178 | -171.1 | -1.1 | 111.5 | I117 N118 V119 A125 N126 | I117-R122 HydrophobicContact CG2-CB 4.24Å; N118-R122 PolarHBondContact O-N 3.25Å; N118-R122 VanDerWaalsContact O-N 3.08Å; V119-R122 PolarHBondContact O-N 3.33Å; R122-A125 PolarHBondContact O-N 3.28Å; R122-N126 VanDerWaalsContact O-CG 3.3Å; R122-N126 PolarHBondContact O-N 2.98Å |
| 123 | Q | 95 | Very high | 88.6 | Confident | 121 Ų | 121 | 125 Ų | 125 | 57% | 0.565 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.1 | -47 | 176.3 | -72.7 | 176.3 | -1.2 | 0 | 0 | 111.7 | V119 G120 A125 N126 V127 | V119-Q123 WeakPolarHBondContact O-CG 3.34Å; V119-Q123 PolarHBondContact O-N 3.17Å; G120-Q123 PolarHBondContact O-N 3.45Å; Q123-A125 VanDerWaalsContact C-N 3.29Å; Q123-A125 PolarHBondContact O-N 3.38Å; Q123-N126 PolarHBondContact O-N 2.96Å; Q123-V127 WeakPolarHBondContact O-CG2 3.26Å; Q123-V127 PolarHBondContact O-N 3.47Å |
| 124 | A | 94.2 | Very high | 90.3 | Very high | 44 Ų | 44 | 120.9 Ų | 120.9 | 36% | 0.364 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -59.9 | -39.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | G120 V127 R128 | G120-A124 WeakPolarHBondContact O-CB 3.4Å; G120-A124 PolarHBondContact O-N 3.46Å; A124-V127 PolarHBondContact O-N 2.89Å; A124-R128 WeakPolarHBondContact O-CG 3.31Å; A124-R128 PolarHBondContact O-N 2.64Å; A124-R128 VanDerWaalsContact O-N 3.16Å; A124-R128 PolarHBondContact O-NH1 3.06Å |
| 125 | A | 95.3 | Very high | 92 | Very high | 39 Ų | 39 | 113.4 Ų | 113.4 | 32% | 0.322 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q121 R122 Q123 V127 R128 E129 | Q121-A125 WeakPolarHBondContact O-CB 3.29Å; Q121-A125 PolarHBondContact O-N 3.24Å; R122-A125 PolarHBondContact O-N 3.28Å; Q123-A125 VanDerWaalsContact C-N 3.29Å; Q123-A125 PolarHBondContact O-N 3.38Å; A125-V127 VanDerWaalsContact C-N 3.32Å; A125-V127 PolarHBondContact O-N 3.37Å; A125-R128 PolarHBondContact O-N 3.03Å; A125-E129 PolarHBondContact O-N 3.18Å |
| 126 | N | 97.8 | Very high | 93.5 | Very high | 79 Ų | 79 | 106.1 Ų | 106.1 | 42% | 0.422 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.5 | -40.7 | 177.5 | -71 | -12.5 | 0 | 0 | 0 | 112.3 | R122 Q123 E129 R130 | R122-N126 VanDerWaalsContact O-CG 3.3Å; R122-N126 PolarHBondContact O-N 2.98Å; Q123-N126 PolarHBondContact O-N 2.96Å; N126-E129 PolarHBondContact O-N 3.09Å; N126-R130 WeakPolarHBondContact O-CG 3.49Å; N126-R130 PolarHBondContact O-N 3.35Å |
| 127 | V | 97.6 | Very high | 94.8 | Very high | 78 Ų | 78 | 102.7 Ų | 102.7 | 47% | 0.473 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.9 | -43.5 | 176.7 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | Q123 A124 A125 R130 K131 | Q123-V127 WeakPolarHBondContact O-CG2 3.26Å; Q123-V127 PolarHBondContact O-N 3.47Å; A124-V127 PolarHBondContact O-N 2.89Å; A125-V127 VanDerWaalsContact C-N 3.32Å; A125-V127 PolarHBondContact O-N 3.37Å; V127-R130 PolarHBondContact O-N 3.14Å; V127-K131 WeakPolarHBondContact O-CG 3.42Å; V127-K131 PolarHBondContact O-N 2.58Å; V127-K131 VanDerWaalsContact O-N 3.13Å |
| 128 | R | 98.2 | Very high | 95.9 | Very high | 157 Ų | 157 | 102.2 Ų | 102.2 | 59% | 0.592 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.8 | -44.4 | 176.7 | -71 | -170.4 | -58.8 | -91.6 | 3.2 | 112 | A124 A125 R130 K131 R132 | A124-R128 WeakPolarHBondContact O-CG 3.31Å; A124-R128 PolarHBondContact O-N 2.64Å; A124-R128 VanDerWaalsContact O-N 3.16Å; A124-R128 PolarHBondContact O-NH1 3.06Å; A125-R128 PolarHBondContact O-N 3.03Å; R128-R130 PolarHBondContact O-N 2.95Å; R128-K131 PolarHBondContact O-N 3.35Å; R128-R132 PolarHBondContact O-N 3.24Å |
| 129 | E | 98.5 | Very high | 96.5 | Very high | 86 Ų | 86 | 100.3 Ų | 100.3 | 40% | 0.402 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.2 | -38.2 | -179.6 | -172.2 | 56.1 | -155.6 | 0 | 0 | 112.2 | A125 N126 K131 R132 M133 | A125-E129 PolarHBondContact O-N 3.18Å; N126-E129 PolarHBondContact O-N 3.09Å; E129-K131 VanDerWaalsContact C-N 3.33Å; E129-K131 PolarHBondContact O-N 3.41Å; E129-R132 PolarHBondContact O-N 3.16Å; E129-R132 IonicContact OE1-CZ 3.27Å; E129-R132 IonicContact OE1-NH1 2.58Å; E129-R132 PolarHBondContact OE1-NH1 3.2Å; E129-R132 IonicContact OE2-NH1 2.83Å; E129-M133 HydrophobicContact CG-CG 4.5Å; E129-M133 WeakPolarHBondContact O-CG 3.41Å; E129-M133 PolarHBondContact O-N 2.75Å; E129-M133 WeakPolarHBondContact OE1-CE 3.42Å |
| 130 | R | 98.6 | Very high | 96.9 | Very high | 188 Ų | 188 | 96.6 Ų | 96.6 | 71% | 0.709 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -59.3 | -44.3 | 172.7 | -73.4 | -177.1 | -163.3 | 179.2 | 4 | 112 | N126 V127 R128 M133 F134 | N126-R130 WeakPolarHBondContact O-CG 3.49Å; N126-R130 PolarHBondContact O-N 3.35Å; V127-R130 PolarHBondContact O-N 3.14Å; R128-R130 PolarHBondContact O-N 2.95Å; R130-M133 PolarHBondContact O-N 3.06Å; R130-F134 WeakPolarHBondContact O-CB 3.48Å; R130-F134 PolarHBondContact O-N 3.11Å |
| 131 | K | 98.3 | Very high | 97.2 | Very high | 149 Ų | 149 | 97.5 Ų | 97.5 | 65% | 0.648 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -62.5 | -43.6 | 176.7 | -71.6 | -176.6 | 177.4 | -170.9 | 0 | 111.8 | V127 R128 E129 M133 F134 S135 | V127-K131 WeakPolarHBondContact O-CG 3.42Å; V127-K131 PolarHBondContact O-N 2.58Å; V127-K131 VanDerWaalsContact O-N 3.13Å; R128-K131 PolarHBondContact O-N 3.35Å; E129-K131 VanDerWaalsContact C-N 3.33Å; E129-K131 PolarHBondContact O-N 3.41Å; K131-M133 PolarHBondContact O-N 3.1Å; K131-F134 PolarHBondContact O-N 3.48Å; K131-S135 PolarHBondContact O-N 3.26Å; K131-S135 VanDerWaalsContact O-N 3.1Å |
| 132 | R | 98.6 | Very high | 97.5 | Very high | 153 Ų | 153 | 97.1 Ų | 97.1 | 58% | 0.577 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -58.9 | -46.7 | 175.3 | -178.6 | -178.6 | 168.4 | -94.8 | -8.5 | 111.5 | R128 E129 S135 L136 | R128-R132 PolarHBondContact O-N 3.24Å; E129-R132 PolarHBondContact O-N 3.16Å; E129-R132 IonicContact OE1-CZ 3.27Å; E129-R132 IonicContact OE1-NH1 2.58Å; E129-R132 PolarHBondContact OE1-NH1 3.2Å; E129-R132 IonicContact OE2-NH1 2.83Å; R132-S135 PolarHBondContact O-N 2.94Å; R132-L136 PolarHBondContact O-N 3.39Å |
| 133 | M | 98.6 | Very high | 97.6 | Very high | 54 Ų | 54 | 91.9 Ų | 91.9 | 27% | 0.266 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -67.1 | -35.5 | 178 | -72.5 | -61.4 | 92.4 | 0 | 0 | 113.4 | E129 R130 K131 L136 N137 | E129-M133 HydrophobicContact CG-CG 4.5Å; E129-M133 WeakPolarHBondContact O-CG 3.41Å; E129-M133 PolarHBondContact O-N 2.75Å; E129-M133 WeakPolarHBondContact OE1-CE 3.42Å; R130-M133 PolarHBondContact O-N 3.06Å; K131-M133 PolarHBondContact O-N 3.1Å; M133-L136 HydrophobicContact CE-CB 4.33Å; M133-L136 HydrophobicContact CE-CD2 3.67Å; M133-L136 PolarHBondContact O-N 2.99Å; M133-L136 HydrophobicContact SD-CD2 4.13Å; M133-N137 WeakPolarHBondContact O-CB 3.32Å; M133-N137 VanDerWaalsContact O-CG 3.23Å; M133-N137 PolarHBondContact O-N 3.47Å; M133-N137 PolarHBondContact O-ND2 3.46Å |
| 134 | F | 98.3 | Very high | 97.7 | Very high | 139 Ų | 139 | 88.1 Ų | 88.1 | 61% | 0.61 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -59.2 | -52.6 | 173.3 | 177.7 | -91.7 | 0 | 0 | 0 | 111 | R130 K131 L136 N137 E138 | R130-F134 WeakPolarHBondContact O-CB 3.48Å; R130-F134 PolarHBondContact O-N 3.11Å; K131-F134 PolarHBondContact O-N 3.48Å; F134-L136 VanDerWaalsContact C-N 3.3Å; F134-L136 PolarHBondContact O-N 3.22Å; F134-N137 PolarHBondContact O-N 2.83Å; F134-N137 VanDerWaalsContact O-N 3.08Å; F134-E138 PolarHBondContact O-N 3.27Å |
| 135 | S | 98.3 | Very high | 97.7 | Very high | 73 Ų | 73 | 96.2 Ų | 96.2 | 51% | 0.51 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59.6 | -39.3 | 178.2 | 172.7 | 0 | 0 | 0 | 0 | 112.5 | K131 R132 E138 A139 | K131-S135 PolarHBondContact O-N 3.26Å; K131-S135 VanDerWaalsContact O-N 3.1Å; R132-S135 PolarHBondContact O-N 2.94Å; S135-E138 PolarHBondContact O-N 3.43Å; S135-A139 PolarHBondContact O-N 2.88Å; S135-A139 VanDerWaalsContact O-N 3.08Å |
| 136 | L | 98.2 | Very high | 97.8 | Very high | 80 Ų | 80 | 101.1 Ų | 101.1 | 42% | 0.419 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.5 | -43.9 | 174.4 | 177.8 | 63.9 | 0 | 0 | 0 | 112.1 | R132 M133 F134 E138 F140 | R132-L136 PolarHBondContact O-N 3.39Å; M133-L136 HydrophobicContact CE-CB 4.33Å; M133-L136 HydrophobicContact CE-CD2 3.67Å; M133-L136 PolarHBondContact O-N 2.99Å; M133-L136 HydrophobicContact SD-CD2 4.13Å; F134-L136 VanDerWaalsContact C-N 3.3Å; F134-L136 PolarHBondContact O-N 3.22Å; L136-E138 VanDerWaalsContact C-N 3.34Å; L136-F140 WeakPolarHBondContact O-CB 3.45Å; L136-F140 PolarHBondContact O-N 2.88Å |
| 137 | N | 98.2 | Very high | 97.6 | Very high | 62 Ų | 62 | 97.6 Ų | 97.6 | 33% | 0.332 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -67.8 | -36.8 | -179.7 | -72.2 | -29.3 | 0 | 0 | 0 | 111.9 | M133 F134 F140 D141 R158 | M133-N137 WeakPolarHBondContact O-CB 3.32Å; M133-N137 VanDerWaalsContact O-CG 3.23Å; M133-N137 PolarHBondContact O-N 3.47Å; M133-N137 PolarHBondContact O-ND2 3.46Å; F134-N137 PolarHBondContact O-N 2.83Å; F134-N137 VanDerWaalsContact O-N 3.08Å; N137-F140 WeakPolarHBondContact O-CB 3.47Å; N137-F140 PolarHBondContact O-N 3.35Å; N137-D141 PolarHBondContact O-N 2.76Å; N137-R158 PolarHBondContact OD1-NH2 3.5Å |
| 138 | E | 98.1 | Very high | 97.4 | Very high | 117 Ų | 117 | 97 Ų | 97 | 55% | 0.547 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.9 | -50.5 | 175.2 | -175.2 | 177.9 | -163.2 | 0 | 0 | 111.3 | F134 S135 L136 F140 D141 E142 | F134-E138 PolarHBondContact O-N 3.27Å; S135-E138 PolarHBondContact O-N 3.43Å; L136-E138 VanDerWaalsContact C-N 3.34Å; E138-F140 PolarHBondContact O-N 3.21Å; E138-D141 PolarHBondContact O-N 3.32Å; E138-E142 PolarHBondContact O-N 3.35Å |
| 139 | A | 98.2 | Very high | 96.9 | Very high | 54 Ų | 54 | 92.8 Ų | 92.8 | 45% | 0.446 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -58.7 | -34.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S135 E142 L143 | S135-A139 PolarHBondContact O-N 2.88Å; S135-A139 VanDerWaalsContact O-N 3.08Å; A139-E142 PolarHBondContact O-N 3.13Å; A139-L143 PolarHBondContact O-N 3.42Å |
| 140 | F | 98.1 | Very high | 96.1 | Very high | 22 Ų | 22 | 96 Ų | 96 | 10% | 0.096 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -69 | -35.8 | 176.6 | -152.2 | -74.5 | 0 | 0 | 0 | 112.3 | L136 N137 E138 L143 R144 R158 T161 L162 | L136-F140 WeakPolarHBondContact O-CB 3.45Å; L136-F140 PolarHBondContact O-N 2.88Å; N137-F140 WeakPolarHBondContact O-CB 3.47Å; N137-F140 PolarHBondContact O-N 3.35Å; E138-F140 PolarHBondContact O-N 3.21Å; F140-L143 PolarHBondContact O-N 2.77Å; F140-R144 HydrophobicContact CD1-CG 4.36Å; F140-R144 HydrophobicContact CE1-CG 4.42Å; F140-R144 VanDerWaalsContact CE1-CZ 3.46Å; F140-R144 VanDerWaalsContact CE1-NH2 3.26Å; F140-R144 WeakPolarHBondContact O-CG 3.44Å; F140-R144 PolarHBondContact O-N 3.41Å; F140-R158 HydrophobicContact CD1-CG 4.35Å; F140-R158 HydrophobicContact CD2-CG 4.35Å; F140-R158 HydrophobicContact CE1-CB 4.14Å; F140-R158 HydrophobicContact CE1-CG 3.92Å; F140-R158 HydrophobicContact CE2-CB 4.01Å; F140-R158 HydrophobicContact CE2-CG 3.97Å; F140-R158 HydrophobicContact CZ-CB 3.63Å; F140-R158 HydrophobicContact CZ-CG 3.77Å; F140-R158 VanDerWaalsContact CZ-O 3.25Å; F140-R158 WeakPolarHBondContact CZ-O 3.38Å; F140-T161 HydrophobicContact CD1-CG2 4.44Å; F140-T161 VanDerWaalsContact CE1-CB 3.45Å; F140-T161 HydrophobicContact CE1-CG2 3.66Å; F140-T161 WeakPolarHBondContact CE1-OG1 3.37Å; F140-T161 HydrophobicContact CZ-CG2 4.01Å; F140-L162 HydrophobicContact CE2-CD1 4.5Å; F140-L162 HydrophobicContact CE2-CD2 4.14Å; F140-L162 HydrophobicContact CE2-CG 4.1Å; F140-L162 HydrophobicContact CZ-CD2 4.46Å; F140-L162 HydrophobicContact CZ-CG 4.14Å |
| 141 | D | 96.8 | Very high | 94.8 | Very high | 54 Ų | 54 | 91.8 Ų | 91.8 | 29% | 0.289 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -71.5 | -34.6 | 175.6 | -74.7 | -16.3 | 0 | 0 | 0 | 112.5 | N137 E138 R144 R145 R155 | N137-D141 PolarHBondContact O-N 2.76Å; E138-D141 PolarHBondContact O-N 3.32Å; D141-R144 PolarHBondContact O-N 3.46Å; D141-R144 IonicContact OD1-CZ 3.71Å; D141-R144 IonicContact OD1-NH1 3.57Å; D141-R144 PolarHBondContact OD1-NH1 3.5Å; D141-R145 PolarHBondContact O-N 3.49Å; D141-R155 IonicContact OD1-CZ 3.72Å; D141-R155 VanDerWaalsContact OD1-CZ 3.27Å; D141-R155 IonicContact OD1-NE 2.75Å; D141-R155 IonicContact OD1-NH2 2.64Å; D141-R155 PolarHBondContact OD1-NH2 3.21Å; D141-R155 IonicContact OD2-CZ 3.79Å; D141-R155 IonicContact OD2-NH1 3.76Å; D141-R155 IonicContact OD2-NH2 3.99Å; D141-R155 PolarHBondContact OD2-NH2 2.91Å |
| 142 | E | 97.6 | Very high | 93.7 | Very high | 124 Ų | 124 | 95.7 Ų | 95.7 | 58% | 0.579 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -61 | -45.6 | 169.6 | -171.2 | 179.9 | 178.8 | 0 | 0 | 111.3 | E138 A139 R144 R145 K146 | E138-E142 PolarHBondContact O-N 3.35Å; A139-E142 PolarHBondContact O-N 3.13Å; E142-R144 VanDerWaalsContact C-N 3.34Å; E142-R144 PolarHBondContact O-N 2.93Å; E142-R145 WeakPolarHBondContact O-CB 3.26Å; E142-R145 PolarHBondContact O-N 2.87Å; E142-R145 VanDerWaalsContact O-N 3.13Å; E142-K146 PolarHBondContact O-N 3.48Å |
| 143 | L | 97.9 | Very high | 92.9 | Very high | 56 Ų | 56 | 92 Ų | 92 | 29% | 0.293 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -57.5 | -46.8 | 175.4 | 179.6 | 61.8 | 0 | 0 | 0 | 111.3 | A139 F140 R145 K146 V147 T161 L162 A165 | A139-L143 PolarHBondContact O-N 3.42Å; F140-L143 PolarHBondContact O-N 2.77Å; L143-R145 PolarHBondContact O-N 3.03Å; L143-K146 PolarHBondContact O-N 3.28Å; L143-V147 HydrophobicContact CD1-CG2 4.14Å; L143-V147 HydrophobicContact CG-CG2 4.21Å; L143-V147 WeakPolarHBondContact O-CG2 3.47Å; L143-V147 PolarHBondContact O-N 2.74Å; L143-T161 HydrophobicContact CB-CG2 4.49Å; L143-T161 HydrophobicContact CD2-CG2 3.91Å; L143-T161 HydrophobicContact CG-CG2 3.87Å; L143-L162 HydrophobicContact CD2-CD2 4.11Å; L143-A165 HydrophobicContact CD1-CB 4.05Å; L143-A165 HydrophobicContact CD2-CB 4.49Å |
| 144 | R | 96.5 | Very high | 92.5 | Very high | 43 Ų | 43 | 98 Ų | 98 | 16% | 0.162 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -55.1 | -37.4 | 177.1 | -74.8 | 178.7 | 177.2 | 101.9 | 10.9 | 113 | F140 D141 E142 K146 L156 T161 | F140-R144 HydrophobicContact CD1-CG 4.36Å; F140-R144 HydrophobicContact CE1-CG 4.42Å; F140-R144 VanDerWaalsContact CE1-CZ 3.46Å; F140-R144 VanDerWaalsContact CE1-NH2 3.26Å; F140-R144 WeakPolarHBondContact O-CG 3.44Å; F140-R144 PolarHBondContact O-N 3.41Å; D141-R144 PolarHBondContact O-N 3.46Å; D141-R144 IonicContact OD1-CZ 3.71Å; D141-R144 IonicContact OD1-NH1 3.57Å; D141-R144 PolarHBondContact OD1-NH1 3.5Å; E142-R144 VanDerWaalsContact C-N 3.34Å; E142-R144 PolarHBondContact O-N 2.93Å; R144-K146 VanDerWaalsContact C-N 3.27Å; R144-K146 PolarHBondContact O-N 3.18Å; R144-L156 VanDerWaalsContact CZ-O 3.31Å; R144-L156 PolarHBondContact NE-O 2.82Å; R144-L156 PolarHBondContact NH2-O 2.95Å; R144-T161 HydrophobicContact CB-CG2 4.48Å; R144-T161 HydrophobicContact CG-CG2 3.65Å |
| 145 | R | 95.2 | Very high | 92.2 | Very high | 214 Ų | 214 | 99.1 Ų | 99.1 | 81% | 0.808 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -68.6 | -24.2 | 177.6 | -103.3 | 178.7 | 56.7 | 82.7 | 1.6 | 113.8 | D141 E142 L143 | D141-R145 PolarHBondContact O-N 3.49Å; E142-R145 WeakPolarHBondContact O-CB 3.26Å; E142-R145 PolarHBondContact O-N 2.87Å; E142-R145 VanDerWaalsContact O-N 3.13Å; L143-R145 PolarHBondContact O-N 3.03Å |
| 146 | K | 95.6 | Very high | 92 | Very high | 141 Ų | 141 | 96.9 Ų | 96.9 | 61% | 0.613 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -90.9 | -26.5 | 179.6 | -63.5 | -67.4 | -175.5 | 172.6 | 0 | 112.4 | E142 L143 R144 | E142-K146 PolarHBondContact O-N 3.48Å; L143-K146 PolarHBondContact O-N 3.28Å; R144-K146 VanDerWaalsContact C-N 3.27Å; R144-K146 PolarHBondContact O-N 3.18Å |
| 147 | V | 94.8 | Very high | 91.9 | Very high | 6 Ų | 6 | 95.6 Ų | 95.6 | 4% | 0.036 | 46% | 0.462 | C | S | . | . | S | Bend | trans | -72 | 129.3 | 176 | 175 | 0 | 0 | 0 | 0 | 109.1 | L143 T149 L156 T161 L164 A165 | L143-V147 HydrophobicContact CD1-CG2 4.14Å; L143-V147 HydrophobicContact CG-CG2 4.21Å; L143-V147 WeakPolarHBondContact O-CG2 3.47Å; L143-V147 PolarHBondContact O-N 2.74Å; V147-T149 HydrophobicContact CG1-CG2 4.38Å; V147-T149 PolarHBondContact O-N 3.02Å; V147-L156 HydrophobicContact CG1-CD1 4.41Å; V147-T161 HydrophobicContact CG2-CG2 4.18Å; V147-L164 HydrophobicContact CG1-CB 3.7Å; V147-L164 HydrophobicContact CG1-CD2 3.32Å; V147-L164 HydrophobicContact CG1-CG 3.36Å; V147-A165 HydrophobicContact CG2-CB 3.78Å |
| 148 | P | 92.4 | Very high | 91.8 | Very high | 65 Ų | 65 | 98.8 Ų | 98.8 | 42% | 0.422 | 47% | 0.469 | S | S | . | . | trans | -68.4 | 122.1 | -179.9 | 27.6 | -35 | 0 | 0 | 0 | 110.9 | L164 Y168 | P148-L164 WeakPolarHBondContact O-CD2 3.28Å; P148-Y168 HydrophobicContact CG-CD1 4.41Å; P148-Y168 HydrophobicContact CG-CD2 3.54Å; P148-Y168 HydrophobicContact CG-CE2 3.85Å; P148-Y168 HydrophobicContact CG-CG 3.85Å | ||
| 149 | T | 88.3 | Confident | 91.8 | Very high | 69 Ų | 69 | 98.3 Ų | 98.3 | 42% | 0.423 | 47% | 0.47 | S | S | . | . | trans | -140.8 | 160.7 | 175.9 | 64.8 | 0 | 0 | 0 | 0 | 110.4 | V147 L156 L164 | V147-T149 HydrophobicContact CG1-CG2 4.38Å; V147-T149 PolarHBondContact O-N 3.02Å; T149-L156 HydrophobicContact CG2-CD1 3.54Å; T149-L156 HydrophobicContact CG2-CG 4.18Å; T149-L164 HydrophobicContact CG2-CD2 4.22Å | ||
| 150 | F | 82.3 | Confident | 91.7 | Very high | 154 Ų | 154 | 99.6 Ų | 99.6 | 68% | 0.675 | 47% | 0.466 | S | S | * | . | trans | -71.4 | 145.3 | 174.1 | -64 | -76.9 | 0 | 0 | 0 | 110.9 | Y152 E153 | F150-Y152 PolarHBondContact O-N 2.81Å; F150-Y152 VanDerWaalsContact O-N 3.11Å; F150-E153 HydrophobicContact CB-CB 4.19Å; F150-E153 WeakPolarHBondContact CD2-OE2 3.49Å; F150-E153 PolarHBondContact N-OE2 3.44Å; F150-E153 VanDerWaalsContact N-OE2 3.1Å; F150-E153 VanDerWaalsContact O-CB 3.26Å; F150-E153 WeakPolarHBondContact O-CB 3.44Å; F150-E153 PolarHBondContact O-N 3.13Å | ||
| 151 | A | 70.8 | Confident | 91.6 | Very high | 99 Ų | 99 | 98.5 Ų | 98.5 | 82% | 0.818 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -23.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 152 | Y | 75.3 | Confident | 91.7 | Very high | 230 Ų | 230 | 100.1 Ų | 100.1 | 90% | 0.902 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | 9.6 | 179.9 | -55.1 | -68.7 | 0 | 0 | 0 | 113.2 | F150 | F150-Y152 PolarHBondContact O-N 2.81Å; F150-Y152 VanDerWaalsContact O-N 3.11Å |
| 153 | E | 82.1 | Confident | 91.6 | Very high | 75 Ų | 75 | 100.6 Ų | 100.6 | 35% | 0.35 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -78.3 | 148.8 | -175.5 | -157.7 | 155.5 | -155.7 | 0 | 0 | 111.4 | F150 | F150-E153 HydrophobicContact CB-CB 4.19Å; F150-E153 WeakPolarHBondContact CD2-OE2 3.49Å; F150-E153 PolarHBondContact N-OE2 3.44Å; F150-E153 VanDerWaalsContact N-OE2 3.1Å; F150-E153 VanDerWaalsContact O-CB 3.26Å; F150-E153 WeakPolarHBondContact O-CB 3.44Å; F150-E153 PolarHBondContact O-N 3.13Å |
| 154 | K | 89.5 | Confident | 91.6 | Very high | 182 Ų | 182 | 100.1 Ų | 100.1 | 79% | 0.791 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 147.5 | 175.8 | 179.6 | -178.3 | 171.1 | -174.4 | 0 | 109.8 | L156 | K154-L156 PolarHBondContact O-N 3.36Å; K154-L156 VanDerWaalsContact O-N 3.13Å |
| 155 | R | 91.9 | Very high | 91.6 | Very high | 161 Ų | 161 | 98.7 Ų | 98.7 | 61% | 0.608 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -55.6 | 119.2 | 172.7 | -174.9 | 172.9 | 172.3 | 160.1 | -7.9 | 111 | D141 | D141-R155 IonicContact OD1-CZ 3.72Å; D141-R155 VanDerWaalsContact OD1-CZ 3.27Å; D141-R155 IonicContact OD1-NE 2.75Å; D141-R155 IonicContact OD1-NH2 2.64Å; D141-R155 PolarHBondContact OD1-NH2 3.21Å; D141-R155 IonicContact OD2-CZ 3.79Å; D141-R155 IonicContact OD2-NH1 3.76Å; D141-R155 IonicContact OD2-NH2 3.99Å; D141-R155 PolarHBondContact OD2-NH2 2.91Å |
| 156 | L | 94 | Very high | 91.8 | Very high | 27 Ų | 27 | 93.8 Ų | 93.8 | 14% | 0.141 | 45% | 0.449 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 140.9 | 179.1 | -62.7 | -179.6 | 0 | 0 | 0 | 112.5 | R144 V147 T149 K154 E160 T161 L164 | R144-L156 VanDerWaalsContact CZ-O 3.31Å; R144-L156 PolarHBondContact NE-O 2.82Å; R144-L156 PolarHBondContact NH2-O 2.95Å; V147-L156 HydrophobicContact CG1-CD1 4.41Å; T149-L156 HydrophobicContact CG2-CD1 3.54Å; T149-L156 HydrophobicContact CG2-CG 4.18Å; K154-L156 PolarHBondContact O-N 3.36Å; K154-L156 VanDerWaalsContact O-N 3.13Å; L156-E160 HydrophobicContact CB-CB 4.24Å; L156-E160 HydrophobicContact CD2-CB 4.32Å; L156-T161 WeakPolarHBondContact CB-OG1 3.29Å; L156-L164 HydrophobicContact CD1-CD2 3.93Å |
| 157 | S | 96.7 | Very high | 91.8 | Very high | 53 Ų | 53 | 89.2 Ų | 89.2 | 37% | 0.371 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -65 | 170.3 | 169.1 | 74.8 | 0 | 0 | 0 | 0 | 111.5 | I159 E160 T161 | S157-I159 PolarHBondContact O-N 2.95Å; S157-E160 WeakPolarHBondContact CA-OE2 3.49Å; S157-E160 WeakPolarHBondContact CB-OE2 3.25Å; S157-E160 PolarHBondContact N-OE2 2.95Å; S157-E160 VanDerWaalsContact OG-CG 3.28Å; S157-E160 WeakPolarHBondContact OG-CG 3.46Å; S157-E160 PolarHBondContact OG-N 3.17Å; S157-E160 PolarHBondContact OG-OE2 3.36Å; S157-T161 WeakPolarHBondContact O-CB 3.34Å; S157-T161 PolarHBondContact O-N 3.42Å; S157-T161 PolarHBondContact O-OG1 3.03Å |
| 158 | R | 95.9 | Very high | 91.9 | Very high | 128 Ų | 128 | 93 Ų | 93 | 48% | 0.483 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.8 | -42 | 179.6 | -70.3 | -176.3 | -179.8 | 159.1 | -2.3 | 112.4 | N137 F140 L162 | N137-R158 PolarHBondContact OD1-NH2 3.5Å; F140-R158 HydrophobicContact CD1-CG 4.35Å; F140-R158 HydrophobicContact CD2-CG 4.35Å; F140-R158 HydrophobicContact CE1-CB 4.14Å; F140-R158 HydrophobicContact CE1-CG 3.92Å; F140-R158 HydrophobicContact CE2-CB 4.01Å; F140-R158 HydrophobicContact CE2-CG 3.97Å; F140-R158 HydrophobicContact CZ-CB 3.63Å; F140-R158 HydrophobicContact CZ-CG 3.77Å; F140-R158 VanDerWaalsContact CZ-O 3.25Å; F140-R158 WeakPolarHBondContact CZ-O 3.38Å; R158-L162 VanDerWaalsContact O-CG 3.32Å; R158-L162 WeakPolarHBondContact O-CG 3.36Å; R158-L162 PolarHBondContact O-N 2.96Å; R158-L162 VanDerWaalsContact O-N 3.17Å |
| 159 | I | 97.8 | Very high | 92.2 | Very high | 108 Ų | 108 | 95.2 Ų | 95.2 | 55% | 0.554 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -68.5 | -44 | -178.3 | -66.8 | 168.8 | 0 | 0 | 0 | 110 | S157 T161 L162 R163 | S157-I159 PolarHBondContact O-N 2.95Å; I159-T161 PolarHBondContact O-N 3.02Å; I159-L162 PolarHBondContact O-N 3.32Å; I159-R163 HydrophobicContact CG2-CG 4.39Å; I159-R163 WeakPolarHBondContact O-CG 3.45Å; I159-R163 PolarHBondContact O-N 3.19Å |
| 160 | E | 95.8 | Very high | 92.5 | Very high | 80 Ų | 80 | 94.9 Ų | 94.9 | 37% | 0.374 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.7 | -46.6 | 178.2 | -70.5 | 160.5 | 155.5 | 0 | 0 | 111.8 | L156 S157 L162 R163 L164 | L156-E160 HydrophobicContact CB-CB 4.24Å; L156-E160 HydrophobicContact CD2-CB 4.32Å; S157-E160 WeakPolarHBondContact CA-OE2 3.49Å; S157-E160 WeakPolarHBondContact CB-OE2 3.25Å; S157-E160 PolarHBondContact N-OE2 2.95Å; S157-E160 VanDerWaalsContact OG-CG 3.28Å; S157-E160 WeakPolarHBondContact OG-CG 3.46Å; S157-E160 PolarHBondContact OG-N 3.17Å; S157-E160 PolarHBondContact OG-OE2 3.36Å; E160-L162 VanDerWaalsContact C-N 3.32Å; E160-L162 PolarHBondContact O-N 3.32Å; E160-R163 PolarHBondContact O-N 3.2Å; E160-L164 WeakPolarHBondContact O-CB 3.37Å; E160-L164 PolarHBondContact O-N 3.19Å |
| 161 | T | 97.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 93.1 Ų | 93.1 | 0% | 0 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -60.1 | -43.1 | 179.1 | -52.8 | 0 | 0 | 0 | 0 | 111.4 | F140 L143 R144 V147 L156 S157 I159 A165 | F140-T161 HydrophobicContact CD1-CG2 4.44Å; F140-T161 VanDerWaalsContact CE1-CB 3.45Å; F140-T161 HydrophobicContact CE1-CG2 3.66Å; F140-T161 WeakPolarHBondContact CE1-OG1 3.37Å; F140-T161 HydrophobicContact CZ-CG2 4.01Å; L143-T161 HydrophobicContact CB-CG2 4.49Å; L143-T161 HydrophobicContact CD2-CG2 3.91Å; L143-T161 HydrophobicContact CG-CG2 3.87Å; R144-T161 HydrophobicContact CB-CG2 4.48Å; R144-T161 HydrophobicContact CG-CG2 3.65Å; V147-T161 HydrophobicContact CG2-CG2 4.18Å; L156-T161 WeakPolarHBondContact CB-OG1 3.29Å; S157-T161 WeakPolarHBondContact O-CB 3.34Å; S157-T161 PolarHBondContact O-N 3.42Å; S157-T161 PolarHBondContact O-OG1 3.03Å; I159-T161 PolarHBondContact O-N 3.02Å; T161-A165 VanDerWaalsContact O-CB 3.29Å; T161-A165 WeakPolarHBondContact O-CB 3.48Å; T161-A165 PolarHBondContact O-N 3.39Å |
| 162 | L | 98.3 | Very high | 94.4 | Very high | 88 Ų | 88 | 91.3 Ų | 91.3 | 46% | 0.461 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.4 | -44 | 178.6 | -69.6 | 175.6 | 0 | 0 | 0 | 111.8 | F140 L143 R158 I159 E160 A165 I166 | F140-L162 HydrophobicContact CE2-CD1 4.5Å; F140-L162 HydrophobicContact CE2-CD2 4.14Å; F140-L162 HydrophobicContact CE2-CG 4.1Å; F140-L162 HydrophobicContact CZ-CD2 4.46Å; F140-L162 HydrophobicContact CZ-CG 4.14Å; L143-L162 HydrophobicContact CD2-CD2 4.11Å; R158-L162 VanDerWaalsContact O-CG 3.32Å; R158-L162 WeakPolarHBondContact O-CG 3.36Å; R158-L162 PolarHBondContact O-N 2.96Å; R158-L162 VanDerWaalsContact O-N 3.17Å; I159-L162 PolarHBondContact O-N 3.32Å; E160-L162 VanDerWaalsContact C-N 3.32Å; E160-L162 PolarHBondContact O-N 3.32Å; L162-A165 PolarHBondContact O-N 2.65Å; L162-I166 WeakPolarHBondContact O-CD1 3.4Å; L162-I166 VanDerWaalsContact O-CG1 3.31Å; L162-I166 WeakPolarHBondContact O-CG1 3.38Å; L162-I166 PolarHBondContact O-N 3.17Å; L162-I166 VanDerWaalsContact O-N 3.13Å |
| 163 | R | 95.9 | Very high | 95.4 | Very high | 133 Ų | 133 | 83.2 Ų | 83.2 | 50% | 0.502 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60 | -48.9 | 177.1 | -73.7 | 176.7 | 177.4 | -178.5 | -1.3 | 111 | I159 E160 A165 I166 V167 | I159-R163 HydrophobicContact CG2-CG 4.39Å; I159-R163 WeakPolarHBondContact O-CG 3.45Å; I159-R163 PolarHBondContact O-N 3.19Å; E160-R163 PolarHBondContact O-N 3.2Å; R163-A165 PolarHBondContact O-N 3.45Å; R163-I166 PolarHBondContact O-N 3.38Å; R163-V167 WeakPolarHBondContact O-CG2 3.48Å; R163-V167 PolarHBondContact O-N 2.73Å; R163-V167 VanDerWaalsContact O-N 3.11Å |
| 164 | L | 96.4 | Very high | 96 | Very high | 47 Ų | 47 | 83.4 Ų | 83.4 | 25% | 0.246 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -68.2 | -35.5 | -177.4 | -168.6 | 56.3 | 0 | 0 | 0 | 112.1 | V147 P148 T149 L156 E160 V167 Y168 | V147-L164 HydrophobicContact CG1-CB 3.7Å; V147-L164 HydrophobicContact CG1-CD2 3.32Å; V147-L164 HydrophobicContact CG1-CG 3.36Å; P148-L164 WeakPolarHBondContact O-CD2 3.28Å; T149-L164 HydrophobicContact CG2-CD2 4.22Å; L156-L164 HydrophobicContact CD1-CD2 3.93Å; E160-L164 WeakPolarHBondContact O-CB 3.37Å; E160-L164 PolarHBondContact O-N 3.19Å; L164-V167 PolarHBondContact O-N 2.72Å; L164-Y168 VanDerWaalsContact O-CB 3.26Å; L164-Y168 WeakPolarHBondContact O-CB 3.44Å; L164-Y168 PolarHBondContact O-N 3.08Å |
| 165 | A | 98.1 | Very high | 96.3 | Very high | 12 Ų | 12 | 78.5 Ų | 78.5 | 10% | 0.099 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L143 V147 T161 L162 R163 Y168 I169 | L143-A165 HydrophobicContact CD1-CB 4.05Å; L143-A165 HydrophobicContact CD2-CB 4.49Å; V147-A165 HydrophobicContact CG2-CB 3.78Å; T161-A165 VanDerWaalsContact O-CB 3.29Å; T161-A165 WeakPolarHBondContact O-CB 3.48Å; T161-A165 PolarHBondContact O-N 3.39Å; L162-A165 PolarHBondContact O-N 2.65Å; R163-A165 PolarHBondContact O-N 3.45Å; A165-Y168 PolarHBondContact O-N 2.65Å; A165-I169 WeakPolarHBondContact O-CG1 3.38Å; A165-I169 PolarHBondContact O-N 3.19Å |
| 166 | I | 97.8 | Very high | 96.4 | Very high | 111 Ų | 111 | 76.7 Ų | 76.7 | 57% | 0.569 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -60.8 | -50.2 | 177.2 | -68.3 | 163.1 | 0 | 0 | 0 | 110.1 | L162 R163 Y168 I169 S170 | L162-I166 WeakPolarHBondContact O-CD1 3.4Å; L162-I166 VanDerWaalsContact O-CG1 3.31Å; L162-I166 WeakPolarHBondContact O-CG1 3.38Å; L162-I166 PolarHBondContact O-N 3.17Å; L162-I166 VanDerWaalsContact O-N 3.13Å; R163-I166 PolarHBondContact O-N 3.38Å; I166-Y168 VanDerWaalsContact C-N 3.3Å; I166-Y168 PolarHBondContact O-N 2.84Å; I166-I169 PolarHBondContact O-N 3.34Å; I166-S170 PolarHBondContact O-N 3.24Å; I166-S170 VanDerWaalsContact O-N 3.09Å; I166-S170 PolarHBondContact O-OG 3.02Å |
| 167 | V | 96.5 | Very high | 96.4 | Very high | 46 Ų | 46 | 82.2 Ų | 82.2 | 28% | 0.279 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.8 | -42.7 | 178.7 | 175.7 | 0 | 0 | 0 | 0 | 111.1 | L12 R163 L164 S170 F171 | L12-V167 HydrophobicContact CD2-CG1 4.19Å; L12-V167 HydrophobicContact CD2-CG2 3.5Å; R163-V167 WeakPolarHBondContact O-CG2 3.48Å; R163-V167 PolarHBondContact O-N 2.73Å; R163-V167 VanDerWaalsContact O-N 3.11Å; L164-V167 PolarHBondContact O-N 2.72Å; V167-S170 PolarHBondContact O-N 3.03Å; V167-F171 WeakPolarHBondContact O-CB 3.48Å; V167-F171 PolarHBondContact O-N 3.13Å |
| 168 | Y | 97.2 | Very high | 95.5 | Very high | 85 Ų | 85 | 85.8 Ų | 85.8 | 33% | 0.333 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.9 | -41.7 | -179.5 | -177.5 | -125 | 0 | 0 | 0 | 112.7 | P148 L164 A165 I166 F171 M172 | P148-Y168 HydrophobicContact CG-CD1 4.41Å; P148-Y168 HydrophobicContact CG-CD2 3.54Å; P148-Y168 HydrophobicContact CG-CE2 3.85Å; P148-Y168 HydrophobicContact CG-CG 3.85Å; L164-Y168 VanDerWaalsContact O-CB 3.26Å; L164-Y168 WeakPolarHBondContact O-CB 3.44Å; L164-Y168 PolarHBondContact O-N 3.08Å; A165-Y168 PolarHBondContact O-N 2.65Å; I166-Y168 VanDerWaalsContact C-N 3.3Å; I166-Y168 PolarHBondContact O-N 2.84Å; Y168-F171 HydrophobicContact CD2-CD1 4.48Å; Y168-F171 PolarHBondContact O-N 2.92Å; Y168-M172 HydrophobicContact CD2-CE 4.33Å; Y168-M172 HydrophobicContact CD2-CG 4Å; Y168-M172 HydrophobicContact CE1-CG 4.23Å; Y168-M172 HydrophobicContact CE2-CE 3.62Å; Y168-M172 HydrophobicContact CE2-CG 3.63Å; Y168-M172 HydrophobicContact CE2-SD 3.75Å; Y168-M172 HydrophobicContact CG-CG 4.45Å; Y168-M172 WeakPolarHBondContact O-CB 3.09Å; Y168-M172 VanDerWaalsContact O-CG 3.23Å; Y168-M172 WeakPolarHBondContact O-CG 3.5Å; Y168-M172 PolarHBondContact O-N 2.87Å |
| 169 | I | 97.4 | Very high | 93.5 | Very high | 112 Ų | 112 | 87 Ų | 87 | 57% | 0.574 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -61.2 | -47.6 | 174.8 | -68.4 | 166.1 | 0 | 0 | 0 | 110.5 | A165 I166 F171 M172 T173 | A165-I169 WeakPolarHBondContact O-CG1 3.38Å; A165-I169 PolarHBondContact O-N 3.19Å; I166-I169 PolarHBondContact O-N 3.34Å; I169-F171 PolarHBondContact O-N 3.08Å; I169-M172 PolarHBondContact O-N 3.27Å; I169-T173 WeakPolarHBondContact O-CB 3.39Å; I169-T173 PolarHBondContact O-N 2.94Å; I169-T173 PolarHBondContact O-OG1 3.12Å |
| 170 | S | 96.4 | Very high | 93.3 | Very high | 62 Ų | 62 | 86 Ų | 86 | 43% | 0.434 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -58.8 | -48.3 | 177.3 | -61.7 | 0 | 0 | 0 | 0 | 111.5 | I166 V167 M172 T173 D174 | I166-S170 PolarHBondContact O-N 3.24Å; I166-S170 VanDerWaalsContact O-N 3.09Å; I166-S170 PolarHBondContact O-OG 3.02Å; V167-S170 PolarHBondContact O-N 3.03Å; S170-M172 PolarHBondContact O-N 2.84Å; S170-T173 WeakPolarHBondContact O-CB 3.41Å; S170-T173 PolarHBondContact O-N 2.85Å; S170-T173 VanDerWaalsContact O-N 3.12Å; S170-D174 PolarHBondContact O-N 2.94Å |
| 171 | F | 95.3 | Very high | 93.2 | Very high | 117 Ų | 117 | 86.3 Ų | 86.3 | 51% | 0.513 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60 | -44.8 | 179.3 | 172.1 | -110.3 | 0 | 0 | 0 | 112.9 | V167 Y168 I169 T173 D174 L175 | V167-F171 WeakPolarHBondContact O-CB 3.48Å; V167-F171 PolarHBondContact O-N 3.13Å; Y168-F171 HydrophobicContact CD2-CD1 4.48Å; Y168-F171 PolarHBondContact O-N 2.92Å; I169-F171 PolarHBondContact O-N 3.08Å; F171-T173 VanDerWaalsContact C-N 3.3Å; F171-T173 PolarHBondContact O-N 3Å; F171-D174 PolarHBondContact O-N 3.27Å; F171-L175 HydrophobicContact CE1-CD1 4.43Å; F171-L175 HydrophobicContact CZ-CD1 4.19Å; F171-L175 WeakPolarHBondContact O-CB 3.42Å; F171-L175 PolarHBondContact O-N 2.96Å |
| 172 | M | 95.8 | Very high | 92.9 | Very high | 60 Ų | 60 | 91.1 Ų | 91.1 | 30% | 0.296 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.5 | -36.1 | 176.3 | -68 | -73.9 | 102.7 | 0 | 0 | 111.8 | Y168 I169 S170 L175 L176 | Y168-M172 HydrophobicContact CD2-CE 4.33Å; Y168-M172 HydrophobicContact CD2-CG 4Å; Y168-M172 HydrophobicContact CE1-CG 4.23Å; Y168-M172 HydrophobicContact CE2-CE 3.62Å; Y168-M172 HydrophobicContact CE2-CG 3.63Å; Y168-M172 HydrophobicContact CE2-SD 3.75Å; Y168-M172 HydrophobicContact CG-CG 4.45Å; Y168-M172 WeakPolarHBondContact O-CB 3.09Å; Y168-M172 VanDerWaalsContact O-CG 3.23Å; Y168-M172 WeakPolarHBondContact O-CG 3.5Å; Y168-M172 PolarHBondContact O-N 2.87Å; I169-M172 PolarHBondContact O-N 3.27Å; S170-M172 PolarHBondContact O-N 2.84Å; M172-L175 HydrophobicContact CE-CD1 4.39Å; M172-L176 VanDerWaalsContact O-CG 3.29Å; M172-L176 WeakPolarHBondContact O-CG 3.14Å; M172-L176 PolarHBondContact O-N 3.41Å |
| 173 | T | 96.5 | Very high | 92.6 | Very high | 60 Ų | 60 | 91.3 Ų | 91.3 | 37% | 0.368 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.1 | -49.5 | 177 | -53.3 | 0 | 0 | 0 | 0 | 110.8 | I169 S170 F171 L175 L176 E177 | I169-T173 WeakPolarHBondContact O-CB 3.39Å; I169-T173 PolarHBondContact O-N 2.94Å; I169-T173 PolarHBondContact O-OG1 3.12Å; S170-T173 WeakPolarHBondContact O-CB 3.41Å; S170-T173 PolarHBondContact O-N 2.85Å; S170-T173 VanDerWaalsContact O-N 3.12Å; F171-T173 VanDerWaalsContact C-N 3.3Å; F171-T173 PolarHBondContact O-N 3Å; T173-L175 VanDerWaalsContact C-N 3.28Å; T173-L175 PolarHBondContact O-N 3.19Å; T173-L176 PolarHBondContact O-N 3.01Å; T173-L176 VanDerWaalsContact O-N 3.16Å; T173-E177 WeakPolarHBondContact O-CG 3.45Å; T173-E177 PolarHBondContact O-N 3.26Å |
| 174 | D | 95.1 | Very high | 92.4 | Very high | 79 Ų | 79 | 88.7 Ų | 88.7 | 42% | 0.422 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.6 | -38.8 | 177.5 | -68.8 | -22.2 | 0 | 0 | 0 | 111.7 | S170 F171 L176 E177 N178 | S170-D174 PolarHBondContact O-N 2.94Å; F171-D174 PolarHBondContact O-N 3.27Å; D174-L176 VanDerWaalsContact C-N 3.33Å; D174-L176 PolarHBondContact O-N 3.27Å; D174-E177 PolarHBondContact O-N 3.43Å; D174-N178 WeakPolarHBondContact O-CB 3.37Å; D174-N178 PolarHBondContact O-N 3.44Å; D174-N178 VanDerWaalsContact O-N 3.08Å; D174-N178 PolarHBondContact O-ND2 3.42Å |
| 175 | L | 95.6 | Very high | 92.1 | Very high | 80 Ų | 80 | 91.5 Ų | 91.5 | 42% | 0.419 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 177.6 | -170.8 | 158.6 | 0 | 0 | 0 | 110.9 | F171 M172 T173 T179 | F171-L175 HydrophobicContact CE1-CD1 4.43Å; F171-L175 HydrophobicContact CZ-CD1 4.19Å; F171-L175 WeakPolarHBondContact O-CB 3.42Å; F171-L175 PolarHBondContact O-N 2.96Å; M172-L175 HydrophobicContact CE-CD1 4.39Å; T173-L175 VanDerWaalsContact C-N 3.28Å; T173-L175 PolarHBondContact O-N 3.19Å; L175-T179 HydrophobicContact CD2-CG2 4.41Å; L175-T179 WeakPolarHBondContact O-CG2 3.09Å; L175-T179 PolarHBondContact O-N 3.21Å; L175-T179 PolarHBondContact O-OG1 3.2Å |
| 176 | L | 95.3 | Very high | 91.7 | Very high | 123 Ų | 123 | 97.1 Ų | 97.1 | 64% | 0.644 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -71.3 | -29.2 | -179.8 | -68.5 | 172.1 | 0 | 0 | 0 | 113.4 | M172 T173 D174 T179 | M172-L176 VanDerWaalsContact O-CG 3.29Å; M172-L176 WeakPolarHBondContact O-CG 3.14Å; M172-L176 PolarHBondContact O-N 3.41Å; T173-L176 PolarHBondContact O-N 3.01Å; T173-L176 VanDerWaalsContact O-N 3.16Å; D174-L176 VanDerWaalsContact C-N 3.33Å; D174-L176 PolarHBondContact O-N 3.27Å; L176-T179 PolarHBondContact O-OG1 3.35Å |
| 177 | E | 92.9 | Very high | 91.2 | Very high | 143 Ų | 143 | 96.1 Ų | 96.1 | 67% | 0.668 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -81.7 | -24.7 | 178.2 | -70.7 | -179 | -176.5 | 0 | 0 | 113.4 | T173 D174 | T173-E177 WeakPolarHBondContact O-CG 3.45Å; T173-E177 PolarHBondContact O-N 3.26Å; D174-E177 PolarHBondContact O-N 3.43Å |
| 178 | N | 77.6 | Confident | 90.8 | Very high | 128 Ų | 128 | 100.3 Ų | 100.3 | 68% | 0.684 | 53% | 0.525 | S | S | * | . | trans | -98 | 7.1 | -179.6 | -64.8 | -59.4 | 0 | 0 | 0 | 113.7 | D174 | D174-N178 WeakPolarHBondContact O-CB 3.37Å; D174-N178 PolarHBondContact O-N 3.44Å; D174-N178 VanDerWaalsContact O-N 3.08Å; D174-N178 PolarHBondContact O-ND2 3.42Å | ||
| 179 | T | 54.4 | Low | 90.2 | Very high | 154 Ų | 154 | 101.6 Ų | 101.6 | 95% | 0.945 | 54% | 0.543 | S | S | * | . | trans | -105.9 | 0 | 169.1 | 48.8 | 0 | 0 | 0 | 0 | 111 | L175 L176 | L175-T179 HydrophobicContact CD2-CG2 4.41Å; L175-T179 WeakPolarHBondContact O-CG2 3.09Å; L175-T179 PolarHBondContact O-N 3.21Å; L175-T179 PolarHBondContact O-OG1 3.2Å; L176-T179 PolarHBondContact O-OG1 3.35Å |
Retrieved 179 of 179 residues in 563 ms
(Link to these results)