| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41.4 | Very low | 47.4 | Very low | 250 Ų | 250 | 153 Ų | 153 | 100% | 1.232 | 85% | 0.848 | S | S | * | * | 0 | 99.8 | 0 | -144 | 161.6 | -174.8 | 0 | 0 | 106.2 | |||||
| 2 | T | 41.8 | Very low | 47.7 | Very low | 144 Ų | 144 | 148.8 Ų | 148.8 | 88% | 0.883 | 84% | 0.836 | S | S | * | * | trans | -97.7 | 128.9 | -168.5 | 42.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 3 | T | 54 | Low | 48.1 | Very low | 133 Ų | 133 | 149.8 Ų | 149.8 | 82% | 0.816 | 84% | 0.836 | S | S | * | * | trans | -76.9 | 133.5 | 170.8 | 42.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 4 | K | 50 | Low | 48.3 | Very low | 195 Ų | 195 | 145.8 Ų | 145.8 | 85% | 0.848 | 82% | 0.82 | S | S | * | * | trans | -157.7 | 120.4 | 156.5 | -68.4 | -153.5 | 170.2 | 175.1 | 0 | 109.8 | ||||
| 5 | E | 38.3 | Very low | 48.5 | Very low | 160 Ų | 160 | 146.2 Ų | 146.2 | 75% | 0.748 | 82% | 0.818 | S | S | * | * | 67.8 | 104.9 | 112.7 | -69.8 | -88.2 | 107.4 | 0 | 0 | 113 | |||||
| 6 | S | 52.3 | Low | 48.6 | Very low | 112 Ų | 112 | 144.1 Ų | 144.1 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | 56.8 | 74.1 | 75.5 | -171 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 7 | E | 49.4 | Very low | 48.9 | Very low | 181 Ų | 181 | 145.5 Ų | 145.5 | 85% | 0.846 | 82% | 0.818 | S | S | * | * | trans | -145.7 | 146.6 | 160.8 | -7.3 | -178.8 | 138.9 | 0 | 0 | 106.7 | ||||
| 8 | N | 45 | Very low | 49.2 | Very low | 138 Ų | 138 | 147.4 Ų | 147.4 | 74% | 0.738 | 81% | 0.811 | S | S | * | * | cis | -174.9 | 116.9 | -17.5 | -170.8 | -28.2 | 0 | 0 | 0 | 102.1 | G10 | N8-G10 PolarHBondContact O-N 3.39Š| ||
| 9 | V | 50.3 | Low | 49.2 | Very low | 137 Ų | 137 | 147.3 Ų | 147.3 | 83% | 0.83 | 81% | 0.81 | S | S | * | * | trans | 43 | 78 | 144.9 | -170.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 10 | G | 47.4 | Very low | 49.4 | Very low | 75 Ų | 75 | 144.1 Ų | 144.1 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | trans | -121.8 | 16.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | N8 | N8-G10 PolarHBondContact O-N 3.39Š| ||
| 11 | L | 51.1 | Low | 49.6 | Very low | 158 Ų | 158 | 141.7 Ų | 141.7 | 83% | 0.827 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -116 | 100.3 | 177.4 | -99.9 | 111.5 | 0 | 0 | 0 | 110.9 | ||
| 12 | S | 50.9 | Low | 50 | Low | 102 Ų | 102 | 134.8 Ų | 134.8 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | 50.8 | 94.2 | 129.1 | -37.8 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 13 | I | 53 | Low | 50.4 | Low | 163 Ų | 163 | 135 Ų | 135 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -47.9 | 147.4 | 145.3 | -58.4 | 161.8 | 0 | 0 | 0 | 109.2 | ||
| 14 | P | 50.9 | Low | 50.2 | Low | 93 Ų | 93 | 135.2 Ų | 135.2 | 60% | 0.604 | 78% | 0.778 | S | S | * | * | cis | -125.5 | 124.5 | -8.6 | 29.3 | -8.8 | 0 | 0 | 0 | 112.9 | C16 | P14-C16 PolarHBondContact O-N 2.86Š| ||
| 15 | L | 51.8 | Low | 50.5 | Low | 152 Ų | 152 | 132.6 Ų | 132.6 | 80% | 0.796 | 77% | 0.774 | S | S | * | * | trans | -83.8 | 65.5 | 167 | -160.5 | 79.7 | 0 | 0 | 0 | 110.5 | ||||
| 16 | C | 49.7 | Very low | 51.3 | Low | 113 Ų | 113 | 126.5 Ų | 126.5 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | trans | -96.9 | 16.6 | 176.1 | -58.8 | 0 | 0 | 0 | 0 | 113.6 | P14 | P14-C16 PolarHBondContact O-N 2.86Š| ||
| 17 | I | 53.5 | Low | 51.3 | Low | 168 Ų | 168 | 126.8 Ų | 126.8 | 86% | 0.862 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -126.8 | 32.9 | -179.3 | -38 | -171.6 | 0 | 0 | 0 | 112.1 | ||
| 18 | Y | 54.6 | Low | 51.5 | Low | 179 Ų | 179 | 122.5 Ų | 122.5 | 70% | 0.702 | 74% | 0.74 | S | S | * | * | trans | -115.1 | -10.7 | -180 | -164.7 | -102.9 | 0 | 0 | 0 | 116.3 | G20 | Y18-G20 PolarHBondContact O-N 2.87Š| ||
| 19 | N | 48.7 | Very low | 51.9 | Low | 146 Ų | 146 | 122.8 Ų | 122.8 | 78% | 0.781 | 74% | 0.739 | S | S | * | * | trans | -107.2 | 64 | 179.4 | -87.5 | -61.5 | 0 | 0 | 0 | 113.1 | A21 | N19-A21 VanDerWaalsContact C-N 3.28Å; N19-A21 PolarHBondContact O-N 3.39Å | ||
| 20 | G | 54.6 | Low | 52.2 | Low | 83 Ų | 83 | 121.2 Ų | 121.2 | 86% | 0.856 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | 71.8 | 155.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y18 | Y18-G20 PolarHBondContact O-N 2.87Š|
| 21 | A | 52.6 | Low | 52.5 | Low | 93 Ų | 93 | 123 Ų | 123 | 77% | 0.769 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -168.4 | 26 | 166.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | N19 | N19-A21 VanDerWaalsContact C-N 3.28Å; N19-A21 PolarHBondContact O-N 3.39Å |
| 22 | S | 49.5 | Very low | 52.8 | Low | 106 Ų | 106 | 119.6 Ų | 119.6 | 74% | 0.741 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -140.8 | 74.5 | 173.5 | -170.6 | 0 | 0 | 0 | 0 | 112 | ||
| 23 | Q | 49.8 | Very low | 53.2 | Low | 149 Ų | 149 | 119.5 Ų | 119.5 | 70% | 0.696 | 69% | 0.686 | S | S | * | * | trans | 170.5 | 97 | 142.4 | -100.9 | -178.2 | 62.1 | 0 | 0 | 108.7 | N25 G26 | Q23-N25 PolarHBondContact O-N 2.77Å; Q23-G26 PolarHBondContact O-N 3.38Å | ||
| 24 | T | 51.7 | Low | 53.5 | Low | 136 Ų | 136 | 120 Ų | 120 | 83% | 0.834 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | 21.1 | 167.6 | 51.1 | 0 | 0 | 0 | 0 | 113.1 | ||
| 25 | N | 54.4 | Low | 53.9 | Low | 141 Ų | 141 | 121.3 Ų | 121.3 | 75% | 0.754 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130 | 8.6 | -178.4 | -66.6 | -42.1 | 0 | 0 | 0 | 113.2 | Q23 | Q23-N25 PolarHBondContact O-N 2.77Š|
| 26 | G | 55.3 | Low | 54.2 | Low | 32 Ų | 32 | 119.6 Ų | 119.6 | 33% | 0.33 | 66% | 0.661 | S | S | . | * | trans | -105.1 | -6.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116 | Q23 C28 M29 | Q23-G26 PolarHBondContact O-N 3.38Å; G26-C28 VanDerWaalsContact C-N 3.31Å; G26-C28 PolarHBondContact O-N 3.22Å; G26-M29 PolarHBondContact O-N 2.81Å | ||
| 27 | T | 53.6 | Low | 54.7 | Low | 118 Ų | 118 | 121.6 Ų | 121.6 | 72% | 0.724 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -10.8 | -169.9 | 44 | 0 | 0 | 0 | 0 | 115.1 | ||
| 28 | C | 53.9 | Low | 55.3 | Low | 91 Ų | 91 | 117 Ų | 117 | 62% | 0.615 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -30.4 | 175.8 | 171.7 | 0 | 0 | 0 | 0 | 112.8 | G26 M32 | G26-C28 VanDerWaalsContact C-N 3.31Å; G26-C28 PolarHBondContact O-N 3.22Å; C28-M32 VanDerWaalsContact O-CG 3.29Å; C28-M32 WeakPolarHBondContact O-CG 3.32Å |
| 29 | M | 52 | Low | 55.6 | Low | 144 Ų | 144 | 113 Ų | 113 | 71% | 0.709 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -88.7 | -40.1 | -169.5 | -152.8 | 133.5 | 66.8 | 0 | 0 | 112.3 | G26 Q31 M32 D33 | G26-M29 PolarHBondContact O-N 2.81Å; M29-Q31 VanDerWaalsContact C-N 3.3Å; M29-Q31 PolarHBondContact O-N 3.22Å; M29-M32 PolarHBondContact O-N 2.68Å; M29-D33 PolarHBondContact O-N 3.28Å; M29-D33 VanDerWaalsContact O-N 3.08Å |
| 30 | D | 56.7 | Low | 56.5 | Low | 104 Ų | 104 | 111.3 Ų | 111.3 | 56% | 0.556 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -70.9 | -26.2 | 179.1 | -156.1 | 58.5 | 0 | 0 | 0 | 112.8 | R34 | D30-R34 WeakPolarHBondContact O-CB 3.18Å; D30-R34 PolarHBondContact O-N 3.46Å; D30-R34 IonicContact OD2-NH2 3.89Å |
| 31 | Q | 54.8 | Low | 57.8 | Low | 113 Ų | 113 | 111.2 Ų | 111.2 | 53% | 0.528 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -69.8 | -37.8 | 174.3 | -179.1 | 168.3 | 76.3 | 0 | 0 | 111.5 | M29 F35 | M29-Q31 VanDerWaalsContact C-N 3.3Å; M29-Q31 PolarHBondContact O-N 3.22Å; Q31-F35 HydrophobicContact CG-CD2 4.41Å; Q31-F35 HydrophobicContact CG-CE2 3.8Å; Q31-F35 WeakPolarHBondContact O-CD2 3.47Å; Q31-F35 WeakPolarHBondContact O-CE2 3.38Å; Q31-F35 PolarHBondContact O-N 3.42Å |
| 32 | M | 57.9 | Low | 59.4 | Low | 86 Ų | 86 | 110.5 Ų | 110.5 | 42% | 0.424 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -76.3 | -40 | 179.3 | -60.1 | -58.9 | 154.3 | 0 | 0 | 111.3 | C28 M29 R34 F35 F36 | C28-M32 VanDerWaalsContact O-CG 3.29Å; C28-M32 WeakPolarHBondContact O-CG 3.32Å; M29-M32 PolarHBondContact O-N 2.68Å; M32-R34 VanDerWaalsContact C-N 3.28Å; M32-R34 PolarHBondContact O-N 3.19Å; M32-F35 WeakPolarHBondContact O-CA 3.05Å; M32-F35 WeakPolarHBondContact O-CB 3.49Å; M32-F35 PolarHBondContact O-N 2.98Å; M32-F35 HydrophobicContact SD-CD2 4.41Å; M32-F36 HydrophobicContact CB-CD2 4.28Å; M32-F36 HydrophobicContact CB-CE2 3.99Å; M32-F36 WeakPolarHBondContact O-CD2 3.19Å; M32-F36 PolarHBondContact O-N 2.87Å |
| 33 | D | 57.8 | Low | 61.2 | Low | 100 Ų | 100 | 111.8 Ų | 111.8 | 54% | 0.535 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -62.1 | -33.2 | 174.6 | -96.9 | -45.3 | 0 | 0 | 0 | 113.1 | M29 F35 F36 Q37 | M29-D33 PolarHBondContact O-N 3.28Å; M29-D33 VanDerWaalsContact O-N 3.08Å; D33-F35 VanDerWaalsContact C-N 3.31Å; D33-F35 PolarHBondContact O-N 3.49Å; D33-F36 CarbonylContact O-C 3.53Å; D33-F36 PolarHBondContact O-N 2.79Å; D33-Q37 PolarHBondContact O-N 3.22Å |
| 34 | R | 60 | Low | 63 | Low | 173 Ų | 173 | 107.3 Ų | 107.3 | 65% | 0.653 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.9 | -32.4 | 172.6 | -170.9 | 171.8 | -61.5 | -176 | 4.5 | 112.9 | D30 M32 | D30-R34 WeakPolarHBondContact O-CB 3.18Å; D30-R34 PolarHBondContact O-N 3.46Å; D30-R34 IonicContact OD2-NH2 3.89Å; M32-R34 VanDerWaalsContact C-N 3.28Å; M32-R34 PolarHBondContact O-N 3.19Å |
| 35 | F | 59.9 | Low | 64.9 | Low | 121 Ų | 121 | 105.6 Ų | 105.6 | 53% | 0.531 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -69.4 | -46.1 | 168.6 | -68.7 | -66.1 | 0 | 0 | 0 | 109.7 | Q31 M32 D33 Q37 P38 F39 | Q31-F35 HydrophobicContact CG-CD2 4.41Å; Q31-F35 HydrophobicContact CG-CE2 3.8Å; Q31-F35 WeakPolarHBondContact O-CD2 3.47Å; Q31-F35 WeakPolarHBondContact O-CE2 3.38Å; Q31-F35 PolarHBondContact O-N 3.42Å; M32-F35 WeakPolarHBondContact O-CA 3.05Å; M32-F35 WeakPolarHBondContact O-CB 3.49Å; M32-F35 PolarHBondContact O-N 2.98Å; M32-F35 HydrophobicContact SD-CD2 4.41Å; D33-F35 VanDerWaalsContact C-N 3.31Å; D33-F35 PolarHBondContact O-N 3.49Å; F35-Q37 VanDerWaalsContact C-N 3.28Å; F35-Q37 PolarHBondContact O-N 3.26Å; F35-P38 WeakPolarHBondContact O-CD 3.41Å; F35-P38 VanDerWaalsContact O-CG 3.25Å; F35-P38 WeakPolarHBondContact O-CG 3Å; F35-F39 HydrophobicContact CB-CE2 4.27Å; F35-F39 WeakPolarHBondContact O-CD2 3.02Å; F35-F39 WeakPolarHBondContact O-CE2 3.31Å |
| 36 | F | 56.6 | Low | 66.7 | Low | 116 Ų | 116 | 104.8 Ų | 104.8 | 51% | 0.509 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -69.9 | -12.7 | -178.6 | -64.9 | -63.5 | 0 | 0 | 0 | 116 | M32 D33 F39 | M32-F36 HydrophobicContact CB-CD2 4.28Å; M32-F36 HydrophobicContact CB-CE2 3.99Å; M32-F36 WeakPolarHBondContact O-CD2 3.19Å; M32-F36 PolarHBondContact O-N 2.87Å; D33-F36 CarbonylContact O-C 3.53Å; D33-F36 PolarHBondContact O-N 2.79Å; F36-F39 HydrophobicContact CB-CD2 4.44Å; F36-F39 HydrophobicContact CD1-CB 4.47Å; F36-F39 AromaticContact CD1-CD1 3.81Å; F36-F39 HydrophobicContact CD1-CD1 3.81Å; F36-F39 HydrophobicContact CD1-CD2 4.06Å; F36-F39 AromaticContact CD1-CE1 3.93Å; F36-F39 HydrophobicContact CD1-CE1 3.93Å; F36-F39 HydrophobicContact CD1-CE2 4.16Å; F36-F39 AromaticContact CD1-CG 3.84Å; F36-F39 HydrophobicContact CD1-CG 3.84Å; F36-F39 HydrophobicContact CD1-CZ 4.08Å; F36-F39 HydrophobicContact CE1-CD1 4.19Å; F36-F39 AromaticContact CE1-CE1 3.94Å; F36-F39 HydrophobicContact CE1-CE1 3.94Å; F36-F39 HydrophobicContact CE1-CZ 4.16Å; F36-F39 VanDerWaalsContact O-CB 3.29Å; F36-F39 WeakPolarHBondContact O-CB 3.41Å; F36-F39 PolarHBondContact O-N 2.93Å |
| 37 | Q | 61.6 | Low | 68.5 | Low | 155 Ų | 155 | 106.9 Ų | 106.9 | 72% | 0.724 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | -46.2 | 179.2 | -169.2 | 172.5 | -3.6 | 0 | 0 | 114.5 | D33 F35 F39 | D33-Q37 PolarHBondContact O-N 3.22Å; F35-Q37 VanDerWaalsContact C-N 3.28Å; F35-Q37 PolarHBondContact O-N 3.26Å; Q37-F39 PolarHBondContact O-N 3.4Å |
| 38 | P | 65.1 | Low | 70.4 | Confident | 72 Ų | 72 | 105.4 Ų | 105.4 | 47% | 0.468 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.6 | -7.9 | 169.4 | 26.2 | -36.8 | 0 | 0 | 0 | 114.7 | F35 S40 T42 | F35-P38 WeakPolarHBondContact O-CD 3.41Å; F35-P38 VanDerWaalsContact O-CG 3.25Å; F35-P38 WeakPolarHBondContact O-CG 3Å; P38-S40 PolarHBondContact O-N 3.41Å; P38-T42 WeakPolarHBondContact O-CB 3.41Å; P38-T42 PolarHBondContact O-N 2.89Å; P38-T42 PolarHBondContact O-OG1 3.39Å |
| 39 | F | 61.4 | Low | 72.4 | Confident | 95 Ų | 95 | 104.7 Ų | 104.7 | 42% | 0.417 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -69.3 | -34.7 | -169.7 | -80.9 | -120.9 | 0 | 0 | 0 | 112.2 | F35 F36 Q37 S41 F43 | F35-F39 HydrophobicContact CB-CE2 4.27Å; F35-F39 WeakPolarHBondContact O-CD2 3.02Å; F35-F39 WeakPolarHBondContact O-CE2 3.31Å; F36-F39 HydrophobicContact CB-CD2 4.44Å; F36-F39 HydrophobicContact CD1-CB 4.47Å; F36-F39 AromaticContact CD1-CD1 3.81Å; F36-F39 HydrophobicContact CD1-CD1 3.81Å; F36-F39 HydrophobicContact CD1-CD2 4.06Å; F36-F39 AromaticContact CD1-CE1 3.93Å; F36-F39 HydrophobicContact CD1-CE1 3.93Å; F36-F39 HydrophobicContact CD1-CE2 4.16Å; F36-F39 AromaticContact CD1-CG 3.84Å; F36-F39 HydrophobicContact CD1-CG 3.84Å; F36-F39 HydrophobicContact CD1-CZ 4.08Å; F36-F39 HydrophobicContact CE1-CD1 4.19Å; F36-F39 AromaticContact CE1-CE1 3.94Å; F36-F39 HydrophobicContact CE1-CE1 3.94Å; F36-F39 HydrophobicContact CE1-CZ 4.16Å; F36-F39 VanDerWaalsContact O-CB 3.29Å; F36-F39 WeakPolarHBondContact O-CB 3.41Å; F36-F39 PolarHBondContact O-N 2.93Å; Q37-F39 PolarHBondContact O-N 3.4Å; F39-S41 VanDerWaalsContact C-N 3.3Å; F39-S41 PolarHBondContact O-N 3.49Å; F39-F43 WeakPolarHBondContact O-CA 3.46Å; F39-F43 WeakPolarHBondContact O-CB 3.42Å; F39-F43 PolarHBondContact O-N 2.77Å |
| 40 | S | 68.2 | Low | 74.5 | Confident | 109 Ų | 109 | 100.7 Ų | 100.7 | 76% | 0.762 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -58.8 | -41.6 | -176.2 | -172.3 | 0 | 0 | 0 | 0 | 112.8 | P38 A44 | P38-S40 PolarHBondContact O-N 3.41Å; S40-A44 VanDerWaalsContact O-CB 3.32Å; S40-A44 WeakPolarHBondContact O-CB 3.18Å |
| 41 | S | 81.8 | Confident | 76.4 | Confident | 81 Ų | 81 | 100.7 Ų | 100.7 | 57% | 0.566 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -87.7 | -47.7 | 179.3 | -174.8 | 0 | 0 | 0 | 0 | 112.7 | F39 F43 A44 L45 | F39-S41 VanDerWaalsContact C-N 3.3Å; F39-S41 PolarHBondContact O-N 3.49Å; S41-F43 VanDerWaalsContact C-N 3.34Å; S41-F43 PolarHBondContact O-N 3.35Å; S41-A44 PolarHBondContact O-N 3.28Å; S41-L45 WeakPolarHBondContact O-CG 2.86Å; S41-L45 PolarHBondContact O-N 3.49Å |
| 42 | T | 86.4 | Confident | 78.4 | Confident | 79 Ų | 79 | 99.2 Ų | 99.2 | 49% | 0.485 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.2 | -37.7 | -178.4 | -57 | 0 | 0 | 0 | 0 | 111.7 | P38 L45 M46 | P38-T42 WeakPolarHBondContact O-CB 3.41Å; P38-T42 PolarHBondContact O-N 2.89Å; P38-T42 PolarHBondContact O-OG1 3.39Å; T42-L45 PolarHBondContact O-N 3.25Å; T42-M46 HydrophobicContact CG2-CG 4.43Å; T42-M46 WeakPolarHBondContact O-CB 3.19Å; T42-M46 WeakPolarHBondContact O-CG 3.42Å; T42-M46 PolarHBondContact O-N 3.44Å |
| 43 | F | 85.6 | Confident | 80.3 | Confident | 132 Ų | 132 | 99.2 Ų | 99.2 | 58% | 0.579 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.4 | -42.2 | 175.1 | -169.3 | -101.4 | 0 | 0 | 0 | 111.3 | F39 S41 L45 M46 V47 | F39-F43 WeakPolarHBondContact O-CA 3.46Å; F39-F43 WeakPolarHBondContact O-CB 3.42Å; F39-F43 PolarHBondContact O-N 2.77Å; S41-F43 VanDerWaalsContact C-N 3.34Å; S41-F43 PolarHBondContact O-N 3.35Å; F43-L45 VanDerWaalsContact C-N 3.34Å; F43-L45 PolarHBondContact O-N 2.88Å; F43-M46 PolarHBondContact O-N 2.94Å; F43-V47 HydrophobicContact CD1-CG2 3.98Å; F43-V47 HydrophobicContact CE1-CG2 3.75Å; F43-V47 HydrophobicContact CZ-CG2 4.11Å; F43-V47 WeakPolarHBondContact O-CB 3.04Å; F43-V47 VanDerWaalsContact O-CG2 3.29Å; F43-V47 WeakPolarHBondContact O-CG2 3.48Å; F43-V47 PolarHBondContact O-N 3.33Å |
| 44 | A | 88.8 | Confident | 82 | Confident | 56 Ų | 56 | 95.8 Ų | 95.8 | 46% | 0.463 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.3 | -43.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S40 S41 V47 L48 | S40-A44 VanDerWaalsContact O-CB 3.32Å; S40-A44 WeakPolarHBondContact O-CB 3.18Å; S41-A44 PolarHBondContact O-N 3.28Å; A44-V47 PolarHBondContact O-N 3.49Å; A44-L48 WeakPolarHBondContact O-CB 3.17Å; A44-L48 PolarHBondContact O-N 3.29Å |
| 45 | L | 90.9 | Very high | 83.7 | Confident | 99 Ų | 99 | 92.4 Ų | 92.4 | 52% | 0.518 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 174.7 | -68.6 | 175 | 0 | 0 | 0 | 111.9 | S41 T42 F43 L48 V49 | S41-L45 WeakPolarHBondContact O-CG 2.86Å; S41-L45 PolarHBondContact O-N 3.49Å; T42-L45 PolarHBondContact O-N 3.25Å; F43-L45 VanDerWaalsContact C-N 3.34Å; F43-L45 PolarHBondContact O-N 2.88Å; L45-L48 PolarHBondContact O-N 3.43Å; L45-V49 WeakPolarHBondContact O-CB 3.37Å; L45-V49 VanDerWaalsContact O-CG2 3.28Å; L45-V49 WeakPolarHBondContact O-CG2 3.48Å; L45-V49 PolarHBondContact O-N 2.95Å |
| 46 | M | 91.5 | Very high | 85.4 | Confident | 125 Ų | 125 | 91.4 Ų | 91.4 | 62% | 0.616 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.4 | -43.4 | 176.9 | -74.3 | -67.1 | -71.1 | 0 | 0 | 111.9 | T42 F43 V49 A50 | T42-M46 HydrophobicContact CG2-CG 4.43Å; T42-M46 WeakPolarHBondContact O-CB 3.19Å; T42-M46 WeakPolarHBondContact O-CG 3.42Å; T42-M46 PolarHBondContact O-N 3.44Å; F43-M46 PolarHBondContact O-N 2.94Å; M46-V49 PolarHBondContact O-N 2.98Å; M46-A50 WeakPolarHBondContact O-CB 3.24Å; M46-A50 PolarHBondContact O-N 3.42Å |
| 47 | V | 93.4 | Very high | 87 | Confident | 76 Ų | 76 | 90.7 Ų | 90.7 | 46% | 0.461 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.8 | -42.9 | 176 | 172 | 0 | 0 | 0 | 0 | 110.9 | F43 A44 A50 M51 | F43-V47 HydrophobicContact CD1-CG2 3.98Å; F43-V47 HydrophobicContact CE1-CG2 3.75Å; F43-V47 HydrophobicContact CZ-CG2 4.11Å; F43-V47 WeakPolarHBondContact O-CB 3.04Å; F43-V47 VanDerWaalsContact O-CG2 3.29Å; F43-V47 WeakPolarHBondContact O-CG2 3.48Å; F43-V47 PolarHBondContact O-N 3.33Å; A44-V47 PolarHBondContact O-N 3.49Å; V47-A50 PolarHBondContact O-N 3.43Å; V47-M51 VanDerWaalsContact O-CB 3.27Å; V47-M51 WeakPolarHBondContact O-CB 3.39Å; V47-M51 PolarHBondContact O-N 2.78Å |
| 48 | L | 94.8 | Very high | 88.4 | Confident | 87 Ų | 87 | 88.2 Ų | 88.2 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.2 | -47.1 | 177.1 | -179.7 | 61.7 | 0 | 0 | 0 | 111.5 | A44 L45 M51 I52 | A44-L48 WeakPolarHBondContact O-CB 3.17Å; A44-L48 PolarHBondContact O-N 3.29Å; L45-L48 PolarHBondContact O-N 3.43Å; L48-M51 HydrophobicContact CD1-CE 3.95Å; L48-M51 PolarHBondContact O-N 3.25Å; L48-I52 HydrophobicContact CD1-CD1 4.25Å; L48-I52 HydrophobicContact CG-CD1 4.15Å; L48-I52 VanDerWaalsContact O-CG1 3.27Å; L48-I52 WeakPolarHBondContact O-CG1 3.32Å; L48-I52 PolarHBondContact O-N 2.97Å |
| 49 | V | 96.1 | Very high | 89.4 | Confident | 76 Ų | 76 | 88 Ų | 88 | 46% | 0.461 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.8 | -46.1 | 177 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | L45 M46 M51 I52 I53 | L45-V49 WeakPolarHBondContact O-CB 3.37Å; L45-V49 VanDerWaalsContact O-CG2 3.28Å; L45-V49 WeakPolarHBondContact O-CG2 3.48Å; L45-V49 PolarHBondContact O-N 2.95Å; M46-V49 PolarHBondContact O-N 2.98Å; V49-M51 VanDerWaalsContact C-N 3.31Å; V49-M51 PolarHBondContact O-N 3.42Å; V49-I52 PolarHBondContact O-N 2.73Å; V49-I53 HydrophobicContact CG1-CD1 3.66Å; V49-I53 HydrophobicContact CG1-CG1 4.34Å; V49-I53 VanDerWaalsContact O-CG1 3.3Å; V49-I53 WeakPolarHBondContact O-CG1 3.2Å; V49-I53 PolarHBondContact O-N 2.75Å |
| 50 | A | 95.9 | Very high | 90.6 | Very high | 60 Ų | 60 | 87.1 Ų | 87.1 | 50% | 0.496 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.7 | -38.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | M46 V47 G54 | M46-A50 WeakPolarHBondContact O-CB 3.24Å; M46-A50 PolarHBondContact O-N 3.42Å; V47-A50 PolarHBondContact O-N 3.43Å; A50-G54 WeakPolarHBondContact O-CA 2.84Å; A50-G54 PolarHBondContact O-N 2.87Å |
| 51 | M | 96.3 | Very high | 91.3 | Very high | 104 Ų | 104 | 84.8 Ų | 84.8 | 51% | 0.512 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.7 | -45.6 | 175.4 | -174.9 | -172.1 | 73.4 | 0 | 0 | 111.2 | V47 L48 V49 G54 I55 | V47-M51 VanDerWaalsContact O-CB 3.27Å; V47-M51 WeakPolarHBondContact O-CB 3.39Å; V47-M51 PolarHBondContact O-N 2.78Å; L48-M51 HydrophobicContact CD1-CE 3.95Å; L48-M51 PolarHBondContact O-N 3.25Å; V49-M51 VanDerWaalsContact C-N 3.31Å; V49-M51 PolarHBondContact O-N 3.42Å; M51-G54 PolarHBondContact O-N 2.8Å; M51-I55 HydrophobicContact CG-CD1 4.07Å; M51-I55 VanDerWaalsContact O-CG1 3.28Å; M51-I55 WeakPolarHBondContact O-CG1 3.35Å; M51-I55 PolarHBondContact O-N 3.49Å |
| 52 | I | 96.6 | Very high | 91.2 | Very high | 82 Ų | 82 | 83.4 Ų | 83.4 | 42% | 0.421 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.7 | -49.6 | 177.2 | -67.2 | 164.4 | 0 | 0 | 0 | 110.3 | L48 V49 G54 I55 I56 | L48-I52 HydrophobicContact CD1-CD1 4.25Å; L48-I52 HydrophobicContact CG-CD1 4.15Å; L48-I52 VanDerWaalsContact O-CG1 3.27Å; L48-I52 WeakPolarHBondContact O-CG1 3.32Å; L48-I52 PolarHBondContact O-N 2.97Å; V49-I52 PolarHBondContact O-N 2.73Å; I52-G54 VanDerWaalsContact C-N 3.29Å; I52-G54 PolarHBondContact O-N 3.3Å; I52-I55 PolarHBondContact O-N 3.34Å; I52-I56 HydrophobicContact CG2-CD1 3.79Å; I52-I56 VanDerWaalsContact O-CG1 3.26Å; I52-I56 WeakPolarHBondContact O-CG1 3.47Å; I52-I56 PolarHBondContact O-N 3.5Å |
| 53 | I | 96.7 | Very high | 90.5 | Very high | 85 Ų | 85 | 85 Ų | 85 | 44% | 0.436 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.6 | -42.2 | 177.1 | -65.9 | 170 | 0 | 0 | 0 | 110.2 | V49 I55 I56 L57 | V49-I53 HydrophobicContact CG1-CD1 3.66Å; V49-I53 HydrophobicContact CG1-CG1 4.34Å; V49-I53 VanDerWaalsContact O-CG1 3.3Å; V49-I53 WeakPolarHBondContact O-CG1 3.2Å; V49-I53 PolarHBondContact O-N 2.75Å; I53-I55 PolarHBondContact O-N 3.47Å; I53-I56 PolarHBondContact O-N 3.47Å; I53-L57 HydrophobicContact CG2-CD1 3.76Å; I53-L57 HydrophobicContact CG2-CG 4.01Å; I53-L57 WeakPolarHBondContact O-CB 3.28Å; I53-L57 VanDerWaalsContact O-CG 3.26Å; I53-L57 WeakPolarHBondContact O-CG 3.07Å; I53-L57 PolarHBondContact O-N 3.45Å |
| 54 | G | 94.9 | Very high | 89.8 | Confident | 29 Ų | 29 | 83.6 Ų | 83.6 | 30% | 0.299 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.1 | -47.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A50 M51 I52 I56 L57 V58 | A50-G54 WeakPolarHBondContact O-CA 2.84Å; A50-G54 PolarHBondContact O-N 2.87Å; M51-G54 PolarHBondContact O-N 2.8Å; I52-G54 VanDerWaalsContact C-N 3.29Å; I52-G54 PolarHBondContact O-N 3.3Å; G54-I56 VanDerWaalsContact C-N 3.34Å; G54-I56 PolarHBondContact O-N 2.78Å; G54-L57 PolarHBondContact O-N 2.73Å; G54-V58 WeakPolarHBondContact O-CB 3.06Å; G54-V58 VanDerWaalsContact O-CG2 3.26Å; G54-V58 WeakPolarHBondContact O-CG2 3.1Å; G54-V58 PolarHBondContact O-N 2.82Å |
| 55 | I | 95.3 | Very high | 88.6 | Confident | 101 Ų | 101 | 86.6 Ų | 86.6 | 52% | 0.518 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 176.1 | -66.8 | 163.7 | 0 | 0 | 0 | 110.4 | M51 I52 I53 V58 S59 | M51-I55 HydrophobicContact CG-CD1 4.07Å; M51-I55 VanDerWaalsContact O-CG1 3.28Å; M51-I55 WeakPolarHBondContact O-CG1 3.35Å; M51-I55 PolarHBondContact O-N 3.49Å; I52-I55 PolarHBondContact O-N 3.34Å; I53-I55 PolarHBondContact O-N 3.47Å; I55-V58 PolarHBondContact O-N 2.66Å; I55-S59 WeakPolarHBondContact O-CB 3.47Å; I55-S59 PolarHBondContact O-N 3.28Å; I55-S59 PolarHBondContact O-OG 3.5Å |
| 56 | I | 94.5 | Very high | 87.4 | Confident | 100 Ų | 100 | 87 Ų | 87 | 51% | 0.513 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.5 | -45.6 | 177 | -66.4 | 166.2 | 0 | 0 | 0 | 110.5 | I52 I53 G54 S59 L60 | I52-I56 HydrophobicContact CG2-CD1 3.79Å; I52-I56 VanDerWaalsContact O-CG1 3.26Å; I52-I56 WeakPolarHBondContact O-CG1 3.47Å; I52-I56 PolarHBondContact O-N 3.5Å; I53-I56 PolarHBondContact O-N 3.47Å; G54-I56 VanDerWaalsContact C-N 3.34Å; G54-I56 PolarHBondContact O-N 2.78Å; I56-S59 PolarHBondContact O-N 2.89Å; I56-L60 WeakPolarHBondContact O-CA 3.26Å; I56-L60 WeakPolarHBondContact O-CB 3.39Å; I56-L60 PolarHBondContact O-N 2.72Å |
| 57 | L | 91.5 | Very high | 86.1 | Confident | 102 Ų | 102 | 86 Ų | 86 | 53% | 0.534 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.8 | -39.7 | -179.8 | -72.7 | 178.5 | 0 | 0 | 0 | 112.2 | I53 G54 L60 A61 | I53-L57 HydrophobicContact CG2-CD1 3.76Å; I53-L57 HydrophobicContact CG2-CG 4.01Å; I53-L57 WeakPolarHBondContact O-CB 3.28Å; I53-L57 VanDerWaalsContact O-CG 3.26Å; I53-L57 WeakPolarHBondContact O-CG 3.07Å; I53-L57 PolarHBondContact O-N 3.45Å; G54-L57 PolarHBondContact O-N 2.73Å; L57-L60 PolarHBondContact O-N 3.43Å; L57-A61 WeakPolarHBondContact O-CA 3.28Å; L57-A61 WeakPolarHBondContact O-CB 3.47Å; L57-A61 PolarHBondContact O-N 2.7Å |
| 58 | V | 90.9 | Very high | 84.5 | Confident | 103 Ų | 103 | 89.9 Ų | 89.9 | 62% | 0.624 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -66.6 | -43.6 | 174.7 | 170.4 | 0 | 0 | 0 | 0 | 110.1 | G54 I55 L60 A61 A62 | G54-V58 WeakPolarHBondContact O-CB 3.06Å; G54-V58 VanDerWaalsContact O-CG2 3.26Å; G54-V58 WeakPolarHBondContact O-CG2 3.1Å; G54-V58 PolarHBondContact O-N 2.82Å; I55-V58 PolarHBondContact O-N 2.66Å; V58-L60 VanDerWaalsContact C-N 3.34Å; V58-L60 PolarHBondContact O-N 2.7Å; V58-A61 PolarHBondContact O-N 3.25Å; V58-A62 VanDerWaalsContact O-CB 3.28Å; V58-A62 WeakPolarHBondContact O-CB 3.12Å; V58-A62 PolarHBondContact O-N 3.39Å |
| 59 | S | 86.8 | Confident | 82.7 | Confident | 66 Ų | 66 | 91.5 Ų | 91.5 | 46% | 0.462 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.3 | -43.1 | 175 | -59.6 | 0 | 0 | 0 | 0 | 111.1 | I55 I56 F63 | I55-S59 WeakPolarHBondContact O-CB 3.47Å; I55-S59 PolarHBondContact O-N 3.28Å; I55-S59 PolarHBondContact O-OG 3.5Å; I56-S59 PolarHBondContact O-N 2.89Å; S59-F63 WeakPolarHBondContact O-CB 3.41Å; S59-F63 PolarHBondContact O-N 3.5Å |
| 60 | L | 84.6 | Confident | 80.8 | Confident | 78 Ų | 78 | 92.9 Ų | 92.9 | 41% | 0.408 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69.3 | -38.6 | 177.7 | -171.1 | 70.2 | 0 | 0 | 0 | 111 | I56 L57 V58 F63 H64 | I56-L60 WeakPolarHBondContact O-CA 3.26Å; I56-L60 WeakPolarHBondContact O-CB 3.39Å; I56-L60 PolarHBondContact O-N 2.72Å; L57-L60 PolarHBondContact O-N 3.43Å; V58-L60 VanDerWaalsContact C-N 3.34Å; V58-L60 PolarHBondContact O-N 2.7Å; L60-F63 PolarHBondContact O-N 3.28Å; L60-H64 WeakPolarHBondContact CD1-CD2 3.45Å; L60-H64 WeakPolarHBondContact CD1-NE2 3.27Å; L60-H64 VanDerWaalsContact CG-CD2 3.47Å; L60-H64 WeakPolarHBondContact CG-CD2 3.26Å; L60-H64 WeakPolarHBondContact O-CA 3.12Å; L60-H64 WeakPolarHBondContact O-CB 3.5Å; L60-H64 PolarHBondContact O-CD2 3.24Å; L60-H64 VanDerWaalsContact O-CD2 3.25Å; L60-H64 PolarHBondContact O-N 3.3Å |
| 61 | A | 83 | Confident | 78.9 | Confident | 59 Ų | 59 | 96.9 Ų | 96.9 | 49% | 0.488 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.4 | -46.9 | 176 | 0 | 0 | 0 | 0 | 0 | 110 | L57 V58 F63 H64 F65 | L57-A61 WeakPolarHBondContact O-CA 3.28Å; L57-A61 WeakPolarHBondContact O-CB 3.47Å; L57-A61 PolarHBondContact O-N 2.7Å; V58-A61 PolarHBondContact O-N 3.25Å; A61-F63 PolarHBondContact O-N 2.83Å; A61-H64 PolarHBondContact O-N 2.77Å; A61-F65 WeakPolarHBondContact O-CB 3.28Å; A61-F65 PolarHBondContact O-N 3.47Å |
| 62 | A | 80.4 | Confident | 77 | Confident | 52 Ų | 52 | 97.2 Ų | 97.2 | 43% | 0.43 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.8 | -43.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V58 F65 N66 | V58-A62 VanDerWaalsContact O-CB 3.28Å; V58-A62 WeakPolarHBondContact O-CB 3.12Å; V58-A62 PolarHBondContact O-N 3.39Å; A62-F65 PolarHBondContact O-N 2.85Å; A62-N66 WeakPolarHBondContact O-CB 3.29Å; A62-N66 PolarHBondContact O-N 3.26Å |
| 63 | F | 71.9 | Confident | 75.2 | Confident | 112 Ų | 112 | 99.9 Ų | 99.9 | 49% | 0.491 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.2 | -43.5 | 177.5 | 179.9 | -104.2 | 0 | 0 | 0 | 112.4 | S59 L60 A61 N66 K67 | S59-F63 WeakPolarHBondContact O-CB 3.41Å; S59-F63 PolarHBondContact O-N 3.5Å; L60-F63 PolarHBondContact O-N 3.28Å; A61-F63 PolarHBondContact O-N 2.83Å; F63-N66 PolarHBondContact O-N 3Å; F63-K67 HydrophobicContact CD1-CD 4.35Å; F63-K67 HydrophobicContact CE1-CD 3.54Å; F63-K67 HydrophobicContact CZ-CD 3.65Å; F63-K67 WeakPolarHBondContact O-CB 3.18Å; F63-K67 PolarHBondContact O-N 2.82Å |
| 64 | H | 70.4 | Confident | 73.6 | Confident | 104 Ų | 104 | 103.8 Ų | 103.8 | 48% | 0.481 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.2 | -37.8 | 175.1 | -90.8 | -104.9 | 0 | 0 | 0 | 110.3 | L60 A61 R68 | L60-H64 WeakPolarHBondContact CD1-CD2 3.45Å; L60-H64 WeakPolarHBondContact CD1-NE2 3.27Å; L60-H64 VanDerWaalsContact CG-CD2 3.47Å; L60-H64 WeakPolarHBondContact CG-CD2 3.26Å; L60-H64 WeakPolarHBondContact O-CA 3.12Å; L60-H64 WeakPolarHBondContact O-CB 3.5Å; L60-H64 PolarHBondContact O-CD2 3.24Å; L60-H64 VanDerWaalsContact O-CD2 3.25Å; L60-H64 PolarHBondContact O-N 3.3Å; A61-H64 PolarHBondContact O-N 2.77Å; H64-R68 WeakPolarHBondContact O-CA 3.36Å; H64-R68 WeakPolarHBondContact O-CB 3.49Å; H64-R68 PolarHBondContact O-N 2.94Å |
| 65 | F | 63.7 | Low | 72.2 | Confident | 118 Ų | 118 | 107.7 Ų | 107.7 | 52% | 0.518 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.7 | -44.4 | 176.2 | -143.4 | -106.8 | 0 | 0 | 0 | 109.7 | A61 A62 R69 | A61-F65 WeakPolarHBondContact O-CB 3.28Å; A61-F65 PolarHBondContact O-N 3.47Å; A62-F65 PolarHBondContact O-N 2.85Å; F65-R69 HydrophobicContact CD1-CG 4Å; F65-R69 HydrophobicContact CE1-CG 4.34Å; F65-R69 VanDerWaalsContact CE1-NH2 3.25Å; F65-R69 WeakPolarHBondContact O-CA 3.26Å; F65-R69 WeakPolarHBondContact O-CB 3.27Å; F65-R69 WeakPolarHBondContact O-CG 2.82Å; F65-R69 PolarHBondContact O-N 3.4Å |
| 66 | N | 66.4 | Low | 70.7 | Confident | 107 Ų | 107 | 108.7 Ų | 108.7 | 57% | 0.572 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.6 | -47.1 | 174.9 | -83.4 | -11.2 | 0 | 0 | 0 | 112.9 | A62 F63 R69 M70 | A62-N66 WeakPolarHBondContact O-CB 3.29Å; A62-N66 PolarHBondContact O-N 3.26Å; F63-N66 PolarHBondContact O-N 3Å; N66-R69 CarbonylContact O-C 3.6Å; N66-R69 PolarHBondContact O-N 3.29Å; N66-M70 WeakPolarHBondContact O-CB 3.2Å; N66-M70 VanDerWaalsContact O-CG 3.24Å; N66-M70 WeakPolarHBondContact O-CG 3.37Å; N66-M70 PolarHBondContact O-N 2.86Å |
| 67 | K | 64.3 | Low | 69.3 | Low | 105 Ų | 105 | 112.7 Ų | 112.7 | 46% | 0.457 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.8 | -39.7 | 179.4 | -170.2 | 169.5 | -176.9 | 175.6 | 0 | 112.2 | F63 M70 K71 | F63-K67 HydrophobicContact CD1-CD 4.35Å; F63-K67 HydrophobicContact CE1-CD 3.54Å; F63-K67 HydrophobicContact CZ-CD 3.65Å; F63-K67 WeakPolarHBondContact O-CB 3.18Å; F63-K67 PolarHBondContact O-N 2.82Å; K67-M70 PolarHBondContact O-N 2.9Å; K67-K71 WeakPolarHBondContact O-CG 3.3Å; K67-K71 PolarHBondContact O-N 3.4Å |
| 68 | R | 58.5 | Low | 68.5 | Low | 158 Ų | 158 | 110.9 Ų | 110.9 | 60% | 0.596 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -70.6 | -34.7 | 173.5 | -167.5 | 177.4 | -174.1 | -166.6 | 2 | 111 | H64 K72 | H64-R68 WeakPolarHBondContact O-CA 3.36Å; H64-R68 WeakPolarHBondContact O-CB 3.49Å; H64-R68 PolarHBondContact O-N 2.94Å; R68-K72 HydrophobicContact CG-CD 4.4Å; R68-K72 WeakPolarHBondContact O-CB 3.49Å; R68-K72 WeakPolarHBondContact O-CG 3.28Å; R68-K72 PolarHBondContact O-N 3.25Å |
| 69 | R | 57.8 | Low | 67.5 | Low | 121 Ų | 121 | 112.1 Ų | 112.1 | 46% | 0.457 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.4 | -38.5 | 172 | -71.4 | -84.8 | -173.6 | 177 | 5.3 | 111.3 | F65 N66 K72 R73 | F65-R69 HydrophobicContact CD1-CG 4Å; F65-R69 HydrophobicContact CE1-CG 4.34Å; F65-R69 VanDerWaalsContact CE1-NH2 3.25Å; F65-R69 WeakPolarHBondContact O-CA 3.26Å; F65-R69 WeakPolarHBondContact O-CB 3.27Å; F65-R69 WeakPolarHBondContact O-CG 2.82Å; F65-R69 PolarHBondContact O-N 3.4Å; N66-R69 CarbonylContact O-C 3.6Å; N66-R69 PolarHBondContact O-N 3.29Å; R69-K72 PolarHBondContact O-N 2.78Å; R69-R73 WeakPolarHBondContact O-CB 3.32Å; R69-R73 WeakPolarHBondContact O-CG 3.46Å; R69-R73 PolarHBondContact O-N 3.39Å |
| 70 | M | 55.7 | Low | 66.9 | Low | 104 Ų | 104 | 114.7 Ų | 114.7 | 51% | 0.512 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68 | -40.8 | 175.7 | -70.1 | -55.8 | 173.3 | 0 | 0 | 112.4 | N66 K67 R73 K74 | N66-M70 WeakPolarHBondContact O-CB 3.2Å; N66-M70 VanDerWaalsContact O-CG 3.24Å; N66-M70 WeakPolarHBondContact O-CG 3.37Å; N66-M70 PolarHBondContact O-N 2.86Å; K67-M70 PolarHBondContact O-N 2.9Å; M70-R73 PolarHBondContact O-N 3.33Å; M70-K74 PolarHBondContact O-N 2.85Å |
| 71 | K | 56.8 | Low | 66.2 | Low | 145 Ų | 145 | 115.3 Ų | 115.3 | 63% | 0.63 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.8 | -40.8 | 173.5 | -73 | -177.6 | 177.4 | -168.2 | 0 | 112.3 | K67 I75 | K67-K71 WeakPolarHBondContact O-CG 3.3Å; K67-K71 PolarHBondContact O-N 3.4Å; K71-I75 PolarHBondContact O-N 3.36Å |
| 72 | K | 56.4 | Low | 65.8 | Low | 110 Ų | 110 | 120 Ų | 120 | 48% | 0.478 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.4 | -39 | 175.6 | -74.7 | 177.2 | 176.2 | -165.3 | 0 | 112.4 | R68 R69 K74 Q76 | R68-K72 HydrophobicContact CG-CD 4.4Å; R68-K72 WeakPolarHBondContact O-CB 3.49Å; R68-K72 WeakPolarHBondContact O-CG 3.28Å; R68-K72 PolarHBondContact O-N 3.25Å; R69-K72 PolarHBondContact O-N 2.78Å; K72-K74 PolarHBondContact O-N 3.24Å; K72-Q76 WeakPolarHBondContact O-CB 2.91Å; K72-Q76 PolarHBondContact O-N 2.89Å |
| 73 | R | 59.3 | Low | 65.6 | Low | 138 Ų | 138 | 123 Ų | 123 | 52% | 0.521 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.9 | -33.2 | -179.3 | -75.6 | 170.3 | -176.2 | 177.9 | 1.3 | 114.2 | R69 M70 R77 | R69-R73 WeakPolarHBondContact O-CB 3.32Å; R69-R73 WeakPolarHBondContact O-CG 3.46Å; R69-R73 PolarHBondContact O-N 3.39Å; M70-R73 PolarHBondContact O-N 3.33Å; R73-R77 WeakPolarHBondContact O-CB 3.29Å; R73-R77 WeakPolarHBondContact O-CG 3.32Å; R73-R77 PolarHBondContact O-N 3.4Å |
| 74 | K | 62.8 | Low | 65.6 | Low | 168 Ų | 168 | 124.7 Ų | 124.7 | 73% | 0.73 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -80 | -40.3 | -179.1 | -68.7 | -171.4 | 175.6 | -171.8 | 0 | 112.6 | M70 K72 A78 | M70-K74 PolarHBondContact O-N 2.85Å; K72-K74 PolarHBondContact O-N 3.24Å; K74-A78 WeakPolarHBondContact O-CB 3.2Å; K74-A78 PolarHBondContact O-N 2.87Å |
| 75 | I | 64.9 | Low | 65.5 | Low | 111 Ų | 111 | 124.7 Ų | 124.7 | 57% | 0.569 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -71.7 | -42.3 | 175.4 | -101.6 | 72.3 | 0 | 0 | 0 | 111.3 | K71 R77 A78 Q79 | K71-I75 PolarHBondContact O-N 3.36Å; I75-R77 PolarHBondContact O-N 3.45Å; I75-A78 PolarHBondContact O-N 3.42Å; I75-Q79 WeakPolarHBondContact O-CB 3.33Å; I75-Q79 WeakPolarHBondContact O-CG 3.41Å; I75-Q79 PolarHBondContact O-N 3.04Å |
| 76 | Q | 64.1 | Low | 65.5 | Low | 122 Ų | 122 | 123.3 Ų | 123.3 | 57% | 0.57 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.3 | -38.3 | -178 | -173.4 | 176.9 | 3.6 | 0 | 0 | 111.9 | K72 Q79 E80 | K72-Q76 WeakPolarHBondContact O-CB 2.91Å; K72-Q76 PolarHBondContact O-N 2.89Å; Q76-Q79 PolarHBondContact O-N 3.23Å; Q76-E80 WeakPolarHBondContact O-CB 2.81Å; Q76-E80 PolarHBondContact O-N 3.4Å |
| 77 | R | 65.9 | Low | 65.1 | Low | 184 Ų | 184 | 127.5 Ų | 127.5 | 69% | 0.694 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67.2 | -39.2 | 173.4 | -80.1 | -176.6 | -179 | 175.6 | -1 | 112.6 | R73 I75 Q79 E80 E81 | R73-R77 WeakPolarHBondContact O-CB 3.29Å; R73-R77 WeakPolarHBondContact O-CG 3.32Å; R73-R77 PolarHBondContact O-N 3.4Å; I75-R77 PolarHBondContact O-N 3.45Å; R77-Q79 VanDerWaalsContact C-N 3.3Å; R77-Q79 PolarHBondContact O-N 3.48Å; R77-E80 PolarHBondContact O-N 2.9Å; R77-E81 WeakPolarHBondContact O-CB 3.35Å; R77-E81 PolarHBondContact O-N 2.83Å |
| 78 | A | 73.8 | Confident | 64.8 | Low | 63 Ų | 63 | 127.1 Ų | 127.1 | 52% | 0.521 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.3 | -38.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | K74 I75 Y82 | K74-A78 WeakPolarHBondContact O-CB 3.2Å; K74-A78 PolarHBondContact O-N 2.87Å; I75-A78 PolarHBondContact O-N 3.42Å; A78-Y82 WeakPolarHBondContact O-CB 3.46Å; A78-Y82 PolarHBondContact O-N 3.02Å |
| 79 | Q | 69.8 | Low | 64.7 | Low | 130 Ų | 130 | 124.9 Ų | 124.9 | 61% | 0.607 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -73.6 | -34.1 | 175.8 | -74.4 | -174 | -49.8 | 0 | 0 | 113.3 | I75 Q76 R77 Y82 E83 | I75-Q79 WeakPolarHBondContact O-CB 3.33Å; I75-Q79 WeakPolarHBondContact O-CG 3.41Å; I75-Q79 PolarHBondContact O-N 3.04Å; Q76-Q79 PolarHBondContact O-N 3.23Å; R77-Q79 VanDerWaalsContact C-N 3.3Å; R77-Q79 PolarHBondContact O-N 3.48Å; Q79-Y82 PolarHBondContact O-N 3.4Å; Q79-E83 VanDerWaalsContact O-CB 3.31Å; Q79-E83 WeakPolarHBondContact O-CB 3.29Å; Q79-E83 PolarHBondContact O-N 2.92Å |
| 80 | E | 75 | Confident | 64.5 | Low | 120 Ų | 120 | 124.2 Ų | 124.2 | 56% | 0.561 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -70.4 | -39.4 | 175.4 | -178.5 | 178.6 | -168.4 | 0 | 0 | 111.3 | Q76 R77 E83 R84 | Q76-E80 WeakPolarHBondContact O-CB 2.81Å; Q76-E80 PolarHBondContact O-N 3.4Å; R77-E80 PolarHBondContact O-N 2.9Å; E80-E83 PolarHBondContact O-N 3.27Å; E80-R84 WeakPolarHBondContact O-CB 3.12Å; E80-R84 PolarHBondContact O-N 2.89Å |
| 81 | E | 70.2 | Confident | 64.4 | Low | 91 Ų | 91 | 125.4 Ų | 125.4 | 43% | 0.425 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65.4 | -44.8 | 170.9 | -157.1 | 84.1 | -159.1 | 0 | 0 | 110.3 | R77 E83 R84 D85 | R77-E81 WeakPolarHBondContact O-CB 3.35Å; R77-E81 PolarHBondContact O-N 2.83Å; E81-E83 VanDerWaalsContact C-N 3.33Å; E81-E83 PolarHBondContact O-N 3.4Å; E81-R84 PolarHBondContact O-N 2.99Å; E81-R84 IonicContact OE1-CZ 3.36Å; E81-R84 IonicContact OE1-NH1 2.68Å; E81-R84 PolarHBondContact OE1-NH1 3.25Å; E81-R84 IonicContact OE1-NH2 3.22Å; E81-R84 PolarHBondContact OE1-NH2 3.39Å; E81-R84 IonicContact OE2-CZ 3.63Å; E81-R84 IonicContact OE2-NH1 3.73Å; E81-R84 IonicContact OE2-NH2 2.81Å; E81-R84 PolarHBondContact OE2-NH2 3.08Å; E81-D85 WeakPolarHBondContact O-CB 3.43Å; E81-D85 PolarHBondContact O-N 3.34Å |
| 82 | Y | 73.4 | Confident | 63.9 | Low | 158 Ų | 158 | 128 Ų | 128 | 62% | 0.62 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -63 | -37.3 | 176.6 | -168.9 | -101 | 0 | 0 | 0 | 112.4 | A78 Q79 N86 | A78-Y82 WeakPolarHBondContact O-CB 3.46Å; A78-Y82 PolarHBondContact O-N 3.02Å; Q79-Y82 PolarHBondContact O-N 3.4Å; Y82-N86 WeakPolarHBondContact CE1-ND2 3.25Å; Y82-N86 WeakPolarHBondContact O-CB 2.81Å; Y82-N86 PolarHBondContact O-N 3.17Å; Y82-N86 PolarHBondContact OH-ND2 2.91Å |
| 83 | E | 77.3 | Confident | 63.7 | Low | 113 Ų | 113 | 128.7 Ų | 128.7 | 53% | 0.528 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -70.7 | -41.4 | 173.9 | -166.4 | -173.1 | 154.6 | 0 | 0 | 110.7 | Q79 E80 E81 D85 N86 R87 | Q79-E83 VanDerWaalsContact O-CB 3.31Å; Q79-E83 WeakPolarHBondContact O-CB 3.29Å; Q79-E83 PolarHBondContact O-N 2.92Å; E80-E83 PolarHBondContact O-N 3.27Å; E81-E83 VanDerWaalsContact C-N 3.33Å; E81-E83 PolarHBondContact O-N 3.4Å; E83-D85 VanDerWaalsContact C-N 3.28Å; E83-D85 PolarHBondContact O-N 3.19Å; E83-N86 PolarHBondContact O-N 3.48Å; E83-R87 WeakPolarHBondContact O-CA 3.44Å; E83-R87 WeakPolarHBondContact O-CB 2.95Å; E83-R87 PolarHBondContact O-N 3.22Å; E83-R87 IonicContact OE1-NH1 3.38Å; E83-R87 PolarHBondContact OE1-NH1 3.04Å |
| 84 | R | 71.9 | Confident | 63.2 | Low | 149 Ų | 149 | 130.9 Ų | 130.9 | 56% | 0.562 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -61.6 | -39.2 | 176.1 | -155.3 | -149 | -56.6 | 129.9 | 3.9 | 111.7 | E80 E81 | E80-R84 WeakPolarHBondContact O-CB 3.12Å; E80-R84 PolarHBondContact O-N 2.89Å; E81-R84 PolarHBondContact O-N 2.99Å; E81-R84 IonicContact OE1-CZ 3.36Å; E81-R84 IonicContact OE1-NH1 2.68Å; E81-R84 PolarHBondContact OE1-NH1 3.25Å; E81-R84 IonicContact OE1-NH2 3.22Å; E81-R84 PolarHBondContact OE1-NH2 3.39Å; E81-R84 IonicContact OE2-CZ 3.63Å; E81-R84 IonicContact OE2-NH1 3.73Å; E81-R84 IonicContact OE2-NH2 2.81Å; E81-R84 PolarHBondContact OE2-NH2 3.08Å |
| 85 | D | 68 | Low | 62.4 | Low | 104 Ų | 104 | 133.6 Ų | 133.6 | 56% | 0.556 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -75.1 | -39.1 | 178.9 | -75 | -6.3 | 0 | 0 | 0 | 112 | E81 E83 | E81-D85 WeakPolarHBondContact O-CB 3.43Å; E81-D85 PolarHBondContact O-N 3.34Å; E83-D85 VanDerWaalsContact C-N 3.28Å; E83-D85 PolarHBondContact O-N 3.19Å |
| 86 | N | 63.8 | Low | 61.5 | Low | 89 Ų | 89 | 136.9 Ų | 136.9 | 48% | 0.476 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -86 | -10.2 | 178.6 | -78.1 | -2.1 | 0 | 0 | 0 | 114.7 | Y82 E83 S88 P89 | Y82-N86 WeakPolarHBondContact CE1-ND2 3.25Å; Y82-N86 WeakPolarHBondContact O-CB 2.81Å; Y82-N86 PolarHBondContact O-N 3.17Å; Y82-N86 PolarHBondContact OH-ND2 2.91Å; E83-N86 PolarHBondContact O-N 3.48Å; N86-S88 PolarHBondContact O-N 3.43Å; N86-P89 WeakPolarHBondContact O-CD 3.47Å |
| 87 | R | 57.3 | Low | 60.9 | Low | 194 Ų | 194 | 135.8 Ų | 135.8 | 73% | 0.732 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | 5.6 | 172.8 | -160.7 | 172.4 | -168.2 | 157.8 | 1.2 | 112.7 | E83 | E83-R87 WeakPolarHBondContact O-CA 3.44Å; E83-R87 WeakPolarHBondContact O-CB 2.95Å; E83-R87 PolarHBondContact O-N 3.22Å; E83-R87 IonicContact OE1-NH1 3.38Å; E83-R87 PolarHBondContact OE1-NH1 3.04Å |
| 88 | S | 57.9 | Low | 60.2 | Low | 98 Ų | 98 | 132.6 Ų | 132.6 | 69% | 0.685 | 67% | 0.667 | S | S | * | * | trans | -104.8 | 88 | 166.1 | 161.8 | 0 | 0 | 0 | 0 | 110.1 | N86 | N86-S88 PolarHBondContact O-N 3.43Š| ||
| 89 | P | 56.6 | Low | 59.1 | Low | 111 Ų | 111 | 141.1 Ų | 141.1 | 72% | 0.721 | 69% | 0.686 | S | S | * | * | S | Bend | -148.7 | 81.2 | 129.3 | 35.3 | -16 | 0 | 0 | 0 | 111.1 | N86 | N86-P89 WeakPolarHBondContact O-CD 3.47Š| |
| 90 | S | 53.1 | Low | 58.4 | Low | 106 Ų | 106 | 139.7 Ų | 139.7 | 74% | 0.741 | 69% | 0.688 | S | S | * | * | S | Bend | trans | 169.4 | 100.9 | 154.2 | 161.1 | 0 | 0 | 0 | 0 | 109.9 | ||
| 91 | T | 53.5 | Low | 57.4 | Low | 129 Ų | 129 | 139.4 Ų | 139.4 | 79% | 0.791 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 172.1 | 26.4 | 138.6 | 41.4 | 0 | 0 | 0 | 0 | 111.8 | ||
| 92 | K | 46.8 | Very low | 56.8 | Low | 201 Ų | 201 | 141.6 Ų | 141.6 | 87% | 0.874 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -136.9 | 81.3 | 161.4 | -63.3 | -169.4 | -175.9 | -176.1 | 0 | 110.2 | ||
| 93 | T | 53.4 | Low | 56.1 | Low | 124 Ų | 124 | 141.8 Ų | 141.8 | 76% | 0.761 | 72% | 0.722 | S | S | * | * | trans | 12.2 | 122.1 | 139.2 | -44 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 94 | K | 48.3 | Very low | 55.1 | Low | 184 Ų | 184 | 142 Ų | 142 | 80% | 0.8 | 73% | 0.731 | S | S | * | * | trans | 59.3 | 110 | 150.9 | -79.2 | -172.6 | 169.9 | -170.4 | 0 | 118.4 | ||||
| 95 | R | 45.3 | Very low | 54.5 | Low | 225 Ų | 225 | 145.9 Ų | 145.9 | 85% | 0.849 | 75% | 0.746 | S | S | * | * | 159.6 | 119.3 | 105.9 | -87.9 | -170.8 | -177 | 167.8 | 0.6 | 111.6 | |||||
| 96 | E | 47 | Very low | 53.6 | Low | 180 Ų | 180 | 146.6 Ų | 146.6 | 84% | 0.841 | 76% | 0.756 | S | S | * | * | trans | 56.7 | 156.8 | 135.1 | -91.7 | -165.3 | 99 | 0 | 0 | 122.6 | ||||
| 97 | P | 51 | Low | 53 | Low | 98 Ų | 98 | 147.5 Ų | 147.5 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | trans | -110.8 | 169 | -140.6 | 28 | -6.1 | 0 | 0 | 0 | 112.7 | ||||
| 98 | T | 50.5 | Low | 53.1 | Low | 118 Ų | 118 | 143.2 Ų | 143.2 | 72% | 0.724 | 77% | 0.767 | S | S | * | * | trans | 66.6 | 93.4 | 155.1 | -46.7 | 0 | 0 | 0 | 0 | 116.3 | P100 | T98-P100 HydrophobicContact CG2-CG 4.32Š| ||
| 99 | R | 51.9 | Low | 52.6 | Low | 241 Ų | 241 | 144.8 Ų | 144.8 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | trans | -116 | 110.4 | 144.8 | -73.5 | -170.5 | 177.7 | -173.4 | -0.4 | 108.3 | S101 | R99-S101 PolarHBondContact O-N 3.44Š| ||
| 100 | P | 53.6 | Low | 51.8 | Low | 100 Ų | 100 | 147.5 Ų | 147.5 | 65% | 0.649 | 78% | 0.783 | S | S | * | * | trans | -70.4 | 116 | 167.8 | 1.7 | 14.6 | 0 | 0 | 0 | 107 | T98 I102 | T98-P100 HydrophobicContact CG2-CG 4.32Å; P100-I102 PolarHBondContact O-N 3.47Å | ||
| 101 | S | 54 | Low | 51.4 | Low | 115 Ų | 115 | 147.9 Ų | 147.9 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -70.7 | 94.3 | 169.8 | 54.5 | 0 | 0 | 0 | 0 | 108.5 | R99 I103 | R99-S101 PolarHBondContact O-N 3.44Å; S101-I103 PolarHBondContact O-N 3.32Å | ||
| 102 | I | 58.8 | Low | 50.7 | Low | 137 Ų | 137 | 149.9 Ų | 149.9 | 70% | 0.703 | 79% | 0.786 | S | S | * | * | trans | -73.6 | 116.9 | 174.9 | -63.6 | 168.6 | 0 | 0 | 0 | 107.9 | P100 V104 | P100-I102 PolarHBondContact O-N 3.47Å; I102-V104 HydrophobicContact CG2-CG2 4.06Å; I102-V104 PolarHBondContact O-N 2.9Å | ||
| 103 | I | 58.3 | Low | 50.3 | Low | 161 Ų | 161 | 147.8 Ų | 147.8 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | trans | -78 | 102.7 | 168.6 | -62.8 | 167.9 | 0 | 0 | 0 | 106.9 | S101 R105 | S101-I103 PolarHBondContact O-N 3.32Å; I103-R105 PolarHBondContact O-N 3.5Å | ||
| 104 | V | 57 | Low | 49.5 | Very low | 117 Ų | 117 | 153 Ų | 153 | 71% | 0.709 | 79% | 0.785 | S | S | * | * | trans | -79 | 111.2 | 173.9 | 178.6 | 0 | 0 | 0 | 0 | 108.3 | I102 | I102-V104 HydrophobicContact CG2-CG2 4.06Å; I102-V104 PolarHBondContact O-N 2.9Å | ||
| 105 | R | 58 | Low | 49.4 | Very low | 231 Ų | 231 | 148.7 Ų | 148.7 | 87% | 0.872 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 119.5 | 168 | -166.2 | 178.6 | -161.2 | 170.3 | 4.3 | 107.8 | I103 S107 | I103-R105 PolarHBondContact O-N 3.5Å; R105-S107 PolarHBondContact O-N 3.49Å |
| 106 | P | 49 | Very low | 48.8 | Very low | 119 Ų | 119 | 146.6 Ų | 146.6 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 121 | 176.8 | -16 | 29.1 | 0 | 0 | 0 | 109.8 | ||
| 107 | S | 50.8 | Low | 48.3 | Very low | 108 Ų | 108 | 142.8 Ų | 142.8 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 137.3 | 166.4 | -173.3 | 0 | 0 | 0 | 0 | 109.2 | R105 | R105-S107 PolarHBondContact O-N 3.49Š|
| 108 | P | 60.9 | Low | 47.6 | Very low | 105 Ų | 105 | 143.5 Ų | 143.5 | 68% | 0.682 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 148.9 | 169 | -18.2 | 31 | 0 | 0 | 0 | 111.3 | ||
| 109 | P | 45.9 | Very low | 47.3 | Very low | 130 Ų | 130 | 144.1 Ų | 144.1 | 84% | 0.844 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 133.2 | -173.6 | 27 | -33 | 0 | 0 | 0 | 112.9 | ||
| 110 | D | 39.8 | Very low | 46.8 | Very low | 168 Ų | 168 | 140.8 Ų | 140.8 | 90% | 0.898 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 130.3 | 170.5 | -90.7 | -41 | 0 | 0 | 0 | 111.8 | ||
| 111 | S | 44.6 | Very low | 46.2 | Very low | 115 Ų | 115 | 143.6 Ų | 143.6 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -103.4 | 119 | 153.5 | 53.8 | 0 | 0 | 0 | 0 | 108.5 | ||
| 112 | E | 39.6 | Very low | 45.3 | Very low | 170 Ų | 170 | 143.2 Ų | 143.2 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | trans | -26.3 | 139.6 | 174.2 | -64.2 | 179.1 | 66 | 0 | 0 | 117.1 | ||||
| 113 | H | 39 | Very low | 44.4 | Very low | 157 Ų | 157 | 140.2 Ų | 140.2 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | 171.3 | 114.5 | 87 | -142.9 | 74.6 | 0 | 0 | 0 | 112.1 | |||||
| 114 | R | 35.4 | Very low | 43.2 | Very low | 235 Ų | 235 | 142.5 Ų | 142.5 | 89% | 0.887 | 76% | 0.762 | S | S | * | * | trans | 53.5 | 153.3 | 151.6 | -103.1 | -156.1 | 150 | -175.6 | -4.8 | 123.3 | ||||
| 115 | P | 46.2 | Very low | 42.1 | Very low | 93 Ų | 93 | 145.1 Ų | 145.1 | 60% | 0.604 | 77% | 0.767 | S | S | * | * | trans | -95.5 | 155.7 | -158 | 39.6 | -36.3 | 0 | 0 | 0 | 113 | ||||
| 116 | H | 32.8 | Very low | 41.2 | Very low | 181 Ų | 181 | 139.8 Ų | 139.8 | 84% | 0.838 | 75% | 0.754 | S | S | * | * | trans | -179 | 131.6 | 130.5 | -106.4 | -83.3 | 0 | 0 | 0 | 112 | ||||
| 117 | S | 36.9 | Very low | 40.6 | Very low | 99 Ų | 99 | 143.4 Ų | 143.4 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | trans | 81.4 | 123 | 141.1 | 90.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 118 | V | 36.3 | Very low | 39.9 | Very low | 113 Ų | 113 | 146.1 Ų | 146.1 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | 82.7 | 103.4 | 129.2 | 175.7 | 0 | 0 | 0 | 0 | 117.1 | Q120 | V118-Q120 HydrophobicContact CG1-CG 4.21Å; V118-Q120 PolarHBondContact O-N 3.26Å | |||
| 119 | V | 44.5 | Very low | 38.7 | Very low | 132 Ų | 132 | 148.3 Ų | 148.3 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | trans | -26.4 | 115.1 | 143.6 | 175.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 120 | Q | 41.7 | Very low | 39 | Very low | 171 Ų | 171 | 147.4 Ų | 147.4 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | trans | -134.3 | 105.6 | 151.8 | -76.8 | -170.7 | 18.6 | 0 | 0 | 109.8 | V118 | V118-Q120 HydrophobicContact CG1-CG 4.21Å; V118-Q120 PolarHBondContact O-N 3.26Å | ||
| 121 | N | 39.8 | Very low | 38.8 | Very low | 158 Ų | 158 | 142.8 Ų | 142.8 | 85% | 0.845 | 75% | 0.753 | S | S | * | * | trans | -95.9 | 101.3 | 164.6 | -155.2 | 22.6 | 0 | 0 | 0 | 105.5 | ||||
| 122 | T | 36.7 | Very low | 38.4 | Very low | 107 Ų | 107 | 143.3 Ų | 143.3 | 66% | 0.656 | 75% | 0.752 | S | S | * | * | trans | -161 | 100.8 | 168.9 | -37.1 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 123 | S | 39.8 | Very low | 38.6 | Very low | 75 Ų | 75 | 142.7 Ų | 142.7 | 52% | 0.524 | 75% | 0.753 | S | S | . | * | 59.1 | 128 | 76.8 | -159.1 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 124 | Y | 32.6 | Very low | 39.1 | Very low | 208 Ų | 208 | 140.6 Ų | 140.6 | 82% | 0.816 | 75% | 0.753 | S | S | * | * | trans | 81.2 | 141.2 | 168.7 | -46.3 | -59.8 | 0 | 0 | 0 | 114.3 | ||||
| 125 | H | 33.4 | Very low | 39.3 | Very low | 173 Ų | 173 | 136.6 Ų | 136.6 | 80% | 0.801 | 75% | 0.748 | S | S | * | * | cis | -172.1 | 157.9 | 5.5 | 166.1 | -75.3 | 0 | 0 | 0 | 108.2 | ||||
| 126 | I | 39.8 | Very low | 39.2 | Very low | 119 Ų | 119 | 136 Ų | 136 | 61% | 0.61 | 75% | 0.751 | S | S | * | * | trans | -57.6 | 140.2 | -173 | -61 | 176.2 | 0 | 0 | 0 | 112.7 | E128 | I126-E128 HydrophobicContact CG2-CG 3.35Š| ||
| 127 | Q | 35.8 | Very low | 39.5 | Very low | 194 Ų | 194 | 134.1 Ų | 134.1 | 91% | 0.907 | 75% | 0.747 | S | S | * | * | trans | -125.3 | 108.8 | 152 | -172.2 | 116.5 | 82.4 | 0 | 0 | 107.3 | ||||
| 128 | E | 36 | Very low | 40 | Very low | 165 Ų | 165 | 136.6 Ų | 136.6 | 77% | 0.771 | 75% | 0.753 | S | S | * | * | trans | -78.9 | 152.8 | 175.1 | -53.3 | -159.8 | 121.1 | 0 | 0 | 110.9 | I126 | I126-E128 HydrophobicContact CG2-CG 3.35Š| ||
| 129 | D | 36.2 | Very low | 40.2 | Very low | 152 Ų | 152 | 139.7 Ų | 139.7 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | trans | 146.9 | 151.2 | 132.4 | -160.1 | 40.3 | 0 | 0 | 0 | 112.1 | ||||
| 130 | P | 52.6 | Low | 40.2 | Very low | 110 Ų | 110 | 138.7 Ų | 138.7 | 71% | 0.714 | 76% | 0.759 | S | S | * | * | cis | -119.3 | 154.5 | -42.8 | 18.8 | -1.1 | 0 | 0 | 0 | 112 | ||||
| 131 | G | 34.9 | Very low | 40.2 | Very low | 71 Ų | 71 | 140.4 Ų | 140.4 | 73% | 0.732 | 77% | 0.767 | S | S | * | * | trans | 179.4 | 47.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 132 | T | 36.2 | Very low | 40.6 | Very low | 126 Ų | 126 | 140 Ų | 140 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | trans | 73.1 | 92.4 | 148.3 | -43 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 133 | L | 43.6 | Very low | 40.5 | Very low | 158 Ų | 158 | 141.4 Ų | 141.4 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | trans | 62.8 | 140.1 | 131.9 | -68.5 | 170.3 | 0 | 0 | 0 | 122.8 | ||||
| 134 | P | 50.6 | Low | 40.6 | Very low | 112 Ų | 112 | 145.7 Ų | 145.7 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -92 | 146 | -174.2 | 38 | -31.6 | 0 | 0 | 0 | 111.5 | ||||
| 135 | I | 39.5 | Very low | 41 | Very low | 152 Ų | 152 | 140.1 Ų | 140.1 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | trans | -129.2 | 100.8 | 165 | -62.1 | -179.4 | 0 | 0 | 0 | 107.7 | ||||
| 136 | A | 42.8 | Very low | 41.2 | Very low | 81 Ų | 81 | 140.4 Ų | 140.4 | 67% | 0.669 | 78% | 0.779 | S | S | * | * | trans | -52.4 | 142.7 | 152.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 137 | N | 39.4 | Very low | 41.6 | Very low | 140 Ų | 140 | 141.5 Ų | 141.5 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | trans | -164 | 121.3 | 146.5 | -82.4 | -29.4 | 0 | 0 | 0 | 109.5 | ||||
| 138 | N | 47.9 | Very low | 41.8 | Very low | 151 Ų | 151 | 138.8 Ų | 138.8 | 81% | 0.807 | 77% | 0.772 | S | S | * | * | trans | -88.3 | 133.7 | 161.8 | -28.9 | -78.1 | 0 | 0 | 0 | 106 | ||||
| 139 | E | 40.9 | Very low | 41.8 | Very low | 178 Ų | 178 | 139.5 Ų | 139.5 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | 176.7 | 106.3 | 159.8 | -100 | 153.3 | 176.1 | 0 | 0 | 107 | ||||
| 140 | S | 44.9 | Very low | 41.6 | Very low | 111 Ų | 111 | 135.2 Ų | 135.2 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | 46.6 | 77.4 | 86 | -164 | 0 | 0 | 0 | 0 | 112.8 | L142 | S140-L142 VanDerWaalsContact C-N 3.31Å; S140-L142 PolarHBondContact O-N 3.04Å | |||
| 141 | E | 40.1 | Very low | 40.9 | Very low | 207 Ų | 207 | 138.3 Ų | 138.3 | 97% | 0.967 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -79.7 | 83.2 | 173.2 | -161.9 | 175.4 | 112.3 | 0 | 0 | 110.2 | ||
| 142 | L | 48.5 | Very low | 41.1 | Very low | 150 Ų | 150 | 138.2 Ų | 138.2 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | -144.8 | 90.9 | 160 | -164.7 | 152.5 | 0 | 0 | 0 | 107.4 | S140 | S140-L142 VanDerWaalsContact C-N 3.31Å; S140-L142 PolarHBondContact O-N 3.04Å | ||
| 143 | D | 34.7 | Very low | 41.2 | Very low | 137 Ų | 137 | 141.1 Ų | 141.1 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | trans | -175.2 | 117.6 | 150.5 | -139 | 14.2 | 0 | 0 | 0 | 108.1 | ||||
| 144 | M | 42.8 | Very low | 41 | Very low | 164 Ų | 164 | 139.1 Ų | 139.1 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | 53.6 | 117.5 | 83.8 | -118.8 | -146.2 | -63.3 | 0 | 0 | 116.1 | |||||
| 145 | A | 41.1 | Very low | 40.7 | Very low | 91 Ų | 91 | 140.2 Ų | 140.2 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | trans | 72.9 | 117.7 | 150.3 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 146 | H | 37.3 | Very low | 40.9 | Very low | 179 Ų | 179 | 140.1 Ų | 140.1 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | -145.6 | 130.6 | 124 | -152.7 | -96 | 0 | 0 | 0 | 112.4 | |||||
| 147 | I | 47.2 | Very low | 41 | Very low | 142 Ų | 142 | 141.9 Ų | 141.9 | 73% | 0.728 | 77% | 0.77 | S | S | * | * | trans | -86.2 | 136.4 | 172.9 | -72 | 176.6 | 0 | 0 | 0 | 107.7 | ||||
| 148 | E | 39.9 | Very low | 41.3 | Very low | 137 Ų | 137 | 141.7 Ų | 141.7 | 64% | 0.64 | 77% | 0.774 | S | S | * | * | -172.3 | 130 | 127.1 | -122.9 | -173.8 | 109.2 | 0 | 0 | 114.4 | |||||
| 149 | K | 36.4 | Very low | 41.2 | Very low | 181 Ų | 181 | 141.4 Ų | 141.4 | 79% | 0.787 | 77% | 0.771 | S | S | * | * | trans | 46.5 | 118 | 137.2 | -99.6 | 157.8 | 162.5 | 179.3 | 0 | 120.2 | ||||
| 150 | G | 32.4 | Very low | 41.1 | Very low | 61 Ų | 61 | 140 Ų | 140 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | 108.7 | 106.7 | 110.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 151 | N | 37.8 | Very low | 40.9 | Very low | 175 Ų | 175 | 143.9 Ų | 143.9 | 94% | 0.936 | 80% | 0.795 | S | S | * | * | trans | 76.1 | 134.9 | 132.6 | -58.7 | -11.6 | 0 | 0 | 0 | 121.6 | ||||
| 152 | G | 38.3 | Very low | 41 | Very low | 69 Ų | 69 | 140.7 Ų | 140.7 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | trans | 99.5 | 100.1 | 160.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 153 | Q | 38.8 | Very low | 40.6 | Very low | 188 Ų | 188 | 140.2 Ų | 140.2 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | 39.8 | 132 | 56.9 | -60 | -153.4 | 80.5 | 0 | 0 | 114.1 | |||||
| 154 | V | 39.6 | Very low | 40.9 | Very low | 116 Ų | 116 | 140.4 Ų | 140.4 | 70% | 0.703 | 79% | 0.79 | S | S | * | * | trans | 91.1 | 93.3 | 158 | -173.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 155 | L | 44.1 | Very low | 40.8 | Very low | 134 Ų | 134 | 139 Ų | 139 | 70% | 0.702 | 79% | 0.789 | S | S | * | * | 87.1 | 142.2 | 121.7 | -106.9 | 69.1 | 0 | 0 | 0 | 111.2 | |||||
| 156 | E | 44.2 | Very low | 40.8 | Very low | 150 Ų | 150 | 142 Ų | 142 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | cis | -165.8 | 123 | 26.5 | -150.6 | 163.2 | 160.8 | 0 | 0 | 104.9 | ||||
| 157 | T | 44.4 | Very low | 41 | Very low | 118 Ų | 118 | 139.5 Ų | 139.5 | 72% | 0.724 | 79% | 0.789 | S | S | * | * | 49.2 | 114.4 | 91.7 | -12.7 | 0 | 0 | 0 | 0 | 114.2 | I159 | T157-I159 PolarHBondContact O-N 3.43Š| |||
| 158 | V | 46.7 | Very low | 40.5 | Very low | 137 Ų | 137 | 139.4 Ų | 139.4 | 83% | 0.83 | 79% | 0.793 | S | S | * | * | trans | -54 | 120.3 | 162.8 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 159 | I | 45.6 | Very low | 40.6 | Very low | 144 Ų | 144 | 139.5 Ų | 139.5 | 74% | 0.738 | 81% | 0.805 | S | S | * | * | trans | -154.6 | 108.5 | 149.3 | -57.2 | -169.4 | 0 | 0 | 0 | 106.2 | T157 | T157-I159 PolarHBondContact O-N 3.43Š| ||
| 160 | L | 39.1 | Very low | 40.9 | Very low | 149 Ų | 149 | 136.1 Ų | 136.1 | 78% | 0.78 | 81% | 0.806 | S | S | * | * | 60 | 117.7 | 92.3 | -106.3 | 144 | 0 | 0 | 0 | 115 | |||||
| 161 | S | 40.3 | Very low | 41.7 | Very low | 192 Ų | 192 | 142.9 Ų | 142.9 | 100% | 1.343 | 82% | 0.822 | S | S | * | * | trans | 78.7 | 0 | 165.5 | -68.4 | 0 | 0 | 0 | 0 | 119.2 |
Retrieved 161 of 161 residues in 651.2 ms
(Link to these results)