| 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 | 46.3 | Very low | 50.3 | Low | 252 Ų | 252 | 158.7 Ų | 158.7 | 100% | 1.241 | 85% | 0.849 | S | S | * | * | 0 | 105.8 | 0 | -72.3 | -67.2 | -165.7 | 0 | 0 | 107.7 | |||||
| 2 | G | 41.1 | Very low | 51.1 | Low | 78 Ų | 78 | 155.3 Ų | 155.3 | 80% | 0.804 | 84% | 0.838 | S | S | * | * | trans | -167 | 83.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 3 | S | 47.2 | Very low | 51.6 | Low | 92 Ų | 92 | 152.5 Ų | 152.5 | 64% | 0.643 | 84% | 0.838 | S | S | * | * | trans | 4.4 | 118.2 | 161.2 | -177.8 | 0 | 0 | 0 | 0 | 118.9 | H5 | S3-H5 PolarHBondContact OG-CD2 3.47Å; S3-H5 VanDerWaalsContact OG-CD2 3.24Å; S3-H5 PolarHBondContact OG-NE2 3.01Å | ||
| 4 | Q | 44.6 | Very low | 51.7 | Low | 190 Ų | 190 | 148.2 Ų | 148.2 | 89% | 0.888 | 83% | 0.832 | S | S | * | * | trans | -89 | 112.7 | 157 | -64.7 | -160.6 | 22.7 | 0 | 0 | 109.7 | ||||
| 5 | H | 49.7 | Very low | 51.8 | Low | 174 Ų | 174 | 143.4 Ų | 143.4 | 81% | 0.806 | 83% | 0.829 | S | S | * | * | trans | -89.4 | 102.1 | 161.1 | -80.5 | -80.4 | 0 | 0 | 0 | 108.9 | S3 G7 | S3-H5 PolarHBondContact OG-CD2 3.47Å; S3-H5 VanDerWaalsContact OG-CD2 3.24Å; S3-H5 PolarHBondContact OG-NE2 3.01Å; H5-G7 VanDerWaalsContact C-N 3.27Å; H5-G7 PolarHBondContact O-N 3.1Å | ||
| 6 | R | 50.1 | Low | 51.9 | Low | 239 Ų | 239 | 148 Ų | 148 | 90% | 0.902 | 83% | 0.83 | S | S | * | * | trans | -72.7 | 84.4 | 167 | -173 | -175.5 | -86 | -154.1 | -3.2 | 108.1 | ||||
| 7 | G | 49 | Very low | 52.8 | Low | 66 Ų | 66 | 150.5 Ų | 150.5 | 68% | 0.68 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 125.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | H5 | H5-G7 VanDerWaalsContact C-N 3.27Å; H5-G7 PolarHBondContact O-N 3.1Å |
| 8 | L | 59.8 | Low | 53.3 | Low | 163 Ų | 163 | 148.2 Ų | 148.2 | 85% | 0.853 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -58 | 140.8 | 170.5 | -69.1 | 159.4 | 0 | 0 | 0 | 110 | R10 | L8-R10 PolarHBondContact O-N 3.04Š|
| 9 | P | 57.1 | Low | 53.7 | Low | 120 Ų | 120 | 146.2 Ų | 146.2 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -65 | 124.3 | 179.1 | 25.4 | -31.4 | 0 | 0 | 0 | 110.5 | T11 | P9-T11 PolarHBondContact O-N 2.82Š|
| 10 | R | 53.9 | Low | 53.9 | Low | 231 Ų | 231 | 145.3 Ų | 145.3 | 87% | 0.872 | 82% | 0.818 | S | S | * | * | trans | -67.4 | 113.3 | 174.3 | -173.8 | 179.2 | -177.7 | 101.6 | -2.2 | 108.9 | L8 T12 | L8-R10 PolarHBondContact O-N 3.04Å; R10-T12 PolarHBondContact O-N 3.04Å; R10-T12 VanDerWaalsContact O-N 3.09Å | ||
| 11 | T | 54.8 | Low | 53.9 | Low | 141 Ų | 141 | 144.7 Ų | 144.7 | 87% | 0.865 | 82% | 0.818 | S | S | * | * | trans | -66.7 | 106.2 | 174.4 | -46.4 | 0 | 0 | 0 | 0 | 109.3 | P9 | P9-T11 PolarHBondContact O-N 2.82Š| ||
| 12 | T | 59.3 | Low | 54.1 | Low | 118 Ų | 118 | 144 Ų | 144 | 72% | 0.724 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 121 | 176.3 | 58.8 | 0 | 0 | 0 | 0 | 109.2 | R10 A14 | R10-T12 PolarHBondContact O-N 3.04Å; R10-T12 VanDerWaalsContact O-N 3.09Å; T12-A14 PolarHBondContact O-N 3.27Å |
| 13 | S | 57.5 | Low | 54.6 | Low | 119 Ų | 119 | 149 Ų | 149 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 123 | 173 | 174.2 | 0 | 0 | 0 | 0 | 110.7 | G15 | S13-G15 PolarHBondContact O-N 3.21Š|
| 14 | A | 52.8 | Low | 54.6 | Low | 92 Ų | 92 | 153 Ų | 153 | 76% | 0.76 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 119.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | T12 Y16 | T12-A14 PolarHBondContact O-N 3.27Å; A14-Y16 PolarHBondContact O-N 3.38Å |
| 15 | G | 53.4 | Low | 54.3 | Low | 76 Ų | 76 | 147.8 Ų | 147.8 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | trans | -66.7 | 97.7 | -180 | 0 | 0 | 0 | 0 | 0 | 111.9 | S13 K17 | S13-G15 PolarHBondContact O-N 3.21Å; G15-K17 PolarHBondContact O-N 3.45Å | ||
| 16 | Y | 53.9 | Low | 54.1 | Low | 217 Ų | 217 | 145 Ų | 145 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | trans | -77.5 | 106.9 | 165.5 | -150.4 | -94.9 | 0 | 0 | 0 | 108.3 | A14 | A14-Y16 PolarHBondContact O-N 3.38Š| ||
| 17 | K | 66.4 | Low | 53.8 | Low | 191 Ų | 191 | 141.1 Ų | 141.1 | 83% | 0.83 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 121.4 | 170.7 | -69.4 | -176.6 | -180 | 179.1 | 0 | 108.3 | G15 | G15-K17 PolarHBondContact O-N 3.45Š|
| 18 | P | 62.8 | Low | 53.3 | Low | 108 Ų | 108 | 143.7 Ų | 143.7 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 146.5 | 169.6 | 26.7 | -31.6 | 0 | 0 | 0 | 109.9 | ||
| 19 | P | 61.3 | Low | 52.5 | Low | 111 Ų | 111 | 140.4 Ų | 140.4 | 72% | 0.721 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 144.8 | -179.5 | 26.1 | -32.7 | 0 | 0 | 0 | 110.7 | T21 | P19-T21 PolarHBondContact O-N 3.33Š|
| 20 | P | 56.1 | Low | 51.5 | Low | 127 Ų | 127 | 139.4 Ų | 139.4 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 125 | 178.5 | 25.7 | -31.6 | 0 | 0 | 0 | 109.9 | R22 | P20-R22 PolarHBondContact O-N 3.26Å; P20-R22 VanDerWaalsContact O-N 3.15Å |
| 21 | T | 53.8 | Low | 50.9 | Low | 134 Ų | 134 | 137 Ų | 137 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 116.6 | 174.7 | -44.6 | 0 | 0 | 0 | 0 | 109.1 | P19 Q23 | P19-T21 PolarHBondContact O-N 3.33Å; T21-Q23 PolarHBondContact O-N 3.22Å |
| 22 | R | 52.1 | Low | 50 | Low | 236 Ų | 236 | 134 Ų | 134 | 89% | 0.891 | 81% | 0.808 | S | S | * | * | trans | -61.3 | 106.4 | 174.4 | -164.7 | 173.7 | -176.2 | 153.6 | -0.7 | 107.8 | P20 L24 | P20-R22 PolarHBondContact O-N 3.26Å; P20-R22 VanDerWaalsContact O-N 3.15Å; R22-L24 PolarHBondContact O-N 3.45Å; R22-L24 VanDerWaalsContact O-N 3.15Å | ||
| 23 | Q | 52 | Low | 49.1 | Very low | 184 Ų | 184 | 136.5 Ų | 136.5 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 116.8 | 173.6 | -71 | -176.9 | -16.5 | 0 | 0 | 108.4 | T21 A25 | T21-Q23 PolarHBondContact O-N 3.22Å; Q23-A25 PolarHBondContact O-N 3.49Å |
| 24 | L | 46.2 | Very low | 48.1 | Very low | 176 Ų | 176 | 133.9 Ų | 133.9 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 121.1 | 167.3 | -93.3 | 148.3 | 0 | 0 | 0 | 107.2 | R22 S26 | R22-L24 PolarHBondContact O-N 3.45Å; R22-L24 VanDerWaalsContact O-N 3.15Å; L24-S26 PolarHBondContact O-N 3.22Å |
| 25 | A | 38.4 | Very low | 48 | Very low | 80 Ų | 80 | 135.7 Ų | 135.7 | 66% | 0.661 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 129.9 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q23 I27 | Q23-A25 PolarHBondContact O-N 3.49Å; A25-I27 PolarHBondContact O-N 3.25Å; A25-I27 VanDerWaalsContact O-N 3.14Å |
| 26 | S | 46.1 | Very low | 47.5 | Very low | 117 Ų | 117 | 136.8 Ų | 136.8 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -55.3 | 109.8 | 155.4 | -58.4 | 0 | 0 | 0 | 0 | 108.8 | L24 S28 | L24-S26 PolarHBondContact O-N 3.22Å; S26-S28 PolarHBondContact O-N 2.97Å | ||
| 27 | I | 42.2 | Very low | 46.7 | Very low | 157 Ų | 157 | 131.1 Ų | 131.1 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | trans | -93 | 86.2 | 168.8 | -48.7 | 165.6 | 0 | 0 | 0 | 106.6 | A25 | A25-I27 PolarHBondContact O-N 3.25Å; A25-I27 VanDerWaalsContact O-N 3.14Å | ||
| 28 | S | 39.9 | Very low | 46 | Very low | 119 Ų | 119 | 127.9 Ų | 127.9 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | trans | -93.1 | 105.6 | 158.6 | -63.7 | 0 | 0 | 0 | 0 | 107 | S26 | S26-S28 PolarHBondContact O-N 2.97Š| ||
| 29 | A | 41.8 | Very low | 45.2 | Very low | 94 Ų | 94 | 134 Ų | 134 | 78% | 0.777 | 82% | 0.823 | S | S | * | * | trans | -108.1 | 119.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 30 | A | 37.5 | Very low | 44.6 | Very low | 99 Ų | 99 | 133.5 Ų | 133.5 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | trans | -87.1 | 153.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 31 | L | 40.2 | Very low | 44.2 | Very low | 181 Ų | 181 | 135.8 Ų | 135.8 | 95% | 0.948 | 83% | 0.833 | S | S | * | * | trans | 92.6 | 114.5 | 146.9 | -154.9 | 66.8 | 0 | 0 | 0 | 118.9 | ||||
| 32 | G | 35.8 | Very low | 43.8 | Very low | 77 Ų | 77 | 133.8 Ų | 133.8 | 79% | 0.794 | 83% | 0.83 | S | S | * | * | trans | 171.2 | 83.9 | 167 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 33 | D | 41.6 | Very low | 43.7 | Very low | 172 Ų | 172 | 126.6 Ų | 126.6 | 92% | 0.92 | 83% | 0.829 | S | S | * | * | trans | -71.8 | 139.9 | 176.5 | -158 | 6.7 | 0 | 0 | 0 | 111.3 | ||||
| 34 | G | 35.5 | Very low | 43.2 | Very low | 63 Ų | 63 | 121.1 Ų | 121.1 | 65% | 0.649 | 82% | 0.822 | S | S | * | * | trans | 165.5 | 122 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 35 | P | 51.5 | Low | 43.1 | Very low | 130 Ų | 130 | 119 Ų | 119 | 84% | 0.844 | 82% | 0.821 | S | S | * | * | trans | -92.5 | 154.9 | -174.1 | 35.4 | -32 | 0 | 0 | 0 | 113.7 | ||||
| 36 | A | 42.7 | Very low | 43.9 | Very low | 100 Ų | 100 | 124.1 Ų | 124.1 | 83% | 0.826 | 83% | 0.831 | S | S | * | * | trans | 72 | 102.1 | 162.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 37 | A | 36.7 | Very low | 44 | Very low | 97 Ų | 97 | 121.3 Ų | 121.3 | 80% | 0.802 | 82% | 0.82 | S | S | * | * | trans | -155.5 | 99.5 | 137.5 | 0 | 0 | 0 | 0 | 0 | 110 | R39 | A37-R39 PolarHBondContact O-N 3.25Š| ||
| 38 | S | 52.6 | Low | 44.9 | Very low | 123 Ų | 123 | 120 Ų | 120 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | trans | -48.3 | 115.7 | 168.5 | -39.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 39 | R | 46.1 | Very low | 45.8 | Very low | 238 Ų | 238 | 117.1 Ų | 117.1 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | trans | -135.3 | 92.3 | 149.5 | -77.6 | -164.9 | -123.5 | 146.1 | 2.4 | 108.5 | A37 L41 | A37-R39 PolarHBondContact O-N 3.25Å; R39-L41 PolarHBondContact O-N 3.45Å; R39-L41 VanDerWaalsContact O-N 3.09Å | ||
| 40 | A | 49 | Very low | 46.8 | Very low | 100 Ų | 100 | 116 Ų | 116 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | trans | -53.4 | 109.5 | 157.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | A42 | A40-A42 PolarHBondContact O-N 3.09Š| ||
| 41 | L | 47.6 | Very low | 48 | Very low | 174 Ų | 174 | 118.2 Ų | 118.2 | 91% | 0.911 | 79% | 0.786 | S | S | * | * | trans | -90 | 98.2 | 157.8 | -150.1 | 82.1 | 0 | 0 | 0 | 106.5 | R39 | R39-L41 PolarHBondContact O-N 3.45Å; R39-L41 VanDerWaalsContact O-N 3.09Å | ||
| 42 | A | 44.9 | Very low | 49.4 | Very low | 92 Ų | 92 | 112.1 Ų | 112.1 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | trans | -54.9 | 148.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | A40 | A40-A42 PolarHBondContact O-N 3.09Š| ||
| 43 | G | 49 | Very low | 50.9 | Low | 86 Ų | 86 | 112.9 Ų | 112.9 | 89% | 0.887 | 76% | 0.756 | S | S | * | * | trans | 94.4 | 83.9 | 146.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 44 | G | 43.1 | Very low | 52.5 | Low | 68 Ų | 68 | 108.7 Ų | 108.7 | 70% | 0.701 | 73% | 0.731 | S | S | * | * | trans | 171.7 | 35.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q46 | G44-Q46 PolarHBondContact O-N 2.75Š| ||
| 45 | C | 42.9 | Very low | 54.6 | Low | 133 Ų | 133 | 112.5 Ų | 112.5 | 90% | 0.899 | 73% | 0.732 | S | S | * | * | trans | -67.5 | 82.2 | 161.1 | -60.5 | 0 | 0 | 0 | 0 | 106.5 | G47 | C45-G47 PolarHBondContact O-N 3.38Š| ||
| 46 | Q | 54.4 | Low | 56.3 | Low | 187 Ų | 187 | 110.2 Ų | 110.2 | 87% | 0.874 | 71% | 0.713 | S | S | * | * | trans | -64 | 91.1 | 151.3 | -72.2 | -151.8 | -0.4 | 0 | 0 | 104.5 | G44 T48 | G44-Q46 PolarHBondContact O-N 2.75Å; Q46-T48 PolarHBondContact O-N 3.09Å; Q46-T48 VanDerWaalsContact O-N 3.11Å | ||
| 47 | G | 49.4 | Very low | 58.4 | Low | 57 Ų | 57 | 110 Ų | 110 | 59% | 0.588 | 70% | 0.695 | S | S | * | * | trans | -50.4 | 123.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 106 | C45 P49 | C45-G47 PolarHBondContact O-N 3.38Å; G47-P49 WeakPolarHBondContact O-CD 3.47Å | ||
| 48 | T | 60.1 | Low | 60.9 | Low | 129 Ų | 129 | 110.1 Ų | 110.1 | 79% | 0.791 | 68% | 0.681 | S | S | * | * | trans | -42.5 | 109.5 | 172.1 | -3.5 | 0 | 0 | 0 | 0 | 106.7 | Q46 A50 | Q46-T48 PolarHBondContact O-N 3.09Å; Q46-T48 VanDerWaalsContact O-N 3.11Å; T48-A50 PolarHBondContact O-N 2.88Å | ||
| 49 | P | 60 | Low | 62.7 | Low | 59 Ų | 59 | 112 Ų | 112 | 38% | 0.383 | 67% | 0.67 | S | S | . | * | trans | -57.5 | 136.2 | 177.6 | 20.5 | -28.5 | 0 | 0 | 0 | 106.1 | G47 L51 V53 Q54 | G47-P49 WeakPolarHBondContact O-CD 3.47Å; P49-L51 PolarHBondContact O-N 3.21Å; P49-V53 HydrophobicContact CB-CB 4.3Å; P49-V53 HydrophobicContact CB-CG1 4.3Å; P49-Q54 HydrophobicContact CG-CB 4.21Å; P49-Q54 HydrophobicContact CG-CG 4.48Å | ||
| 50 | A | 63.4 | Low | 65 | Low | 72 Ų | 72 | 107 Ų | 107 | 60% | 0.595 | 65% | 0.651 | S | S | * | * | trans | -45.8 | 136.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | T48 G52 V53 Q54 | T48-A50 PolarHBondContact O-N 2.88Å; A50-G52 CarbonylContact O-C 3.59Å; A50-G52 PolarHBondContact O-N 3.27Å; A50-V53 HydrophobicContact CB-CG2 4.47Å; A50-V53 WeakPolarHBondContact O-CA 3.44Å; A50-V53 WeakPolarHBondContact O-CB 3.5Å; A50-V53 PolarHBondContact O-N 3.01Å; A50-Q54 PolarHBondContact O-N 3.29Å | ||
| 51 | L | 62.6 | Low | 67.1 | Low | 144 Ų | 144 | 106.8 Ų | 106.8 | 75% | 0.754 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -48.9 | -32.6 | -167.5 | -162.9 | 73.4 | 0 | 0 | 0 | 113.4 | P49 Q55 | P49-L51 PolarHBondContact O-N 3.21Å; L51-Q55 PolarHBondContact O-N 2.98Å; L51-Q55 VanDerWaalsContact O-N 3.09Å |
| 52 | G | 67.8 | Low | 69.2 | Low | 53 Ų | 53 | 104 Ų | 104 | 55% | 0.546 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -69.3 | -35.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | A50 Q55 D56 | A50-G52 CarbonylContact O-C 3.59Å; A50-G52 PolarHBondContact O-N 3.27Å; G52-Q55 PolarHBondContact O-N 2.96Å; G52-D56 PolarHBondContact O-N 3.28Å; G52-D56 VanDerWaalsContact O-N 3.09Å |
| 53 | V | 69 | Low | 71.6 | Confident | 94 Ų | 94 | 102.4 Ų | 102.4 | 57% | 0.57 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -71.9 | -35.4 | 175.1 | -179.3 | 0 | 0 | 0 | 0 | 110.7 | P49 A50 Q55 D56 Q57 | P49-V53 HydrophobicContact CB-CB 4.3Å; P49-V53 HydrophobicContact CB-CG1 4.3Å; A50-V53 HydrophobicContact CB-CG2 4.47Å; A50-V53 WeakPolarHBondContact O-CA 3.44Å; A50-V53 WeakPolarHBondContact O-CB 3.5Å; A50-V53 PolarHBondContact O-N 3.01Å; V53-Q55 VanDerWaalsContact C-N 3.31Å; V53-D56 PolarHBondContact O-N 3.45Å; V53-Q57 WeakPolarHBondContact O-CB 3.33Å; V53-Q57 PolarHBondContact O-N 2.89Å |
| 54 | Q | 75.5 | Confident | 73.8 | Confident | 84 Ų | 84 | 103.4 Ų | 103.4 | 39% | 0.393 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.6 | -36.8 | 173.3 | -164.7 | 174.9 | 75.1 | 0 | 0 | 111.4 | P49 A50 Q57 L58 | P49-Q54 HydrophobicContact CG-CB 4.21Å; P49-Q54 HydrophobicContact CG-CG 4.48Å; A50-Q54 PolarHBondContact O-N 3.29Å; Q54-Q57 PolarHBondContact O-N 2.97Å; Q54-L58 WeakPolarHBondContact O-CB 3.36Å; Q54-L58 VanDerWaalsContact O-CG 3.25Å; Q54-L58 WeakPolarHBondContact O-CG 3.48Å; Q54-L58 PolarHBondContact O-N 2.93Å |
| 55 | Q | 77.6 | Confident | 76.1 | Confident | 143 Ų | 143 | 102.3 Ų | 102.3 | 67% | 0.668 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -69 | -39 | 176.7 | -164.6 | 170.1 | 69.3 | 0 | 0 | 112.7 | L51 G52 V53 L58 W59 | L51-Q55 PolarHBondContact O-N 2.98Å; L51-Q55 VanDerWaalsContact O-N 3.09Å; G52-Q55 PolarHBondContact O-N 2.96Å; V53-Q55 VanDerWaalsContact C-N 3.31Å; Q55-L58 PolarHBondContact O-N 3.45Å; Q55-W59 WeakPolarHBondContact O-CB 3.47Å; Q55-W59 PolarHBondContact O-N 3.27Å |
| 56 | D | 87.2 | Confident | 78.6 | Confident | 81 Ų | 81 | 102.3 Ų | 102.3 | 43% | 0.433 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.6 | -42.3 | 173.2 | -170.5 | 67.2 | 0 | 0 | 0 | 111.7 | G52 V53 W59 R60 | G52-D56 PolarHBondContact O-N 3.28Å; G52-D56 VanDerWaalsContact O-N 3.09Å; V53-D56 PolarHBondContact O-N 3.45Å; D56-W59 PolarHBondContact O-N 3.45Å; D56-R60 WeakPolarHBondContact O-CG 3.25Å; D56-R60 PolarHBondContact O-N 3.03Å; D56-R60 IonicContact OD2-CZ 3.47Å; D56-R60 IonicContact OD2-NE 3.99Å; D56-R60 PolarHBondContact OD2-NE 3.34Å |
| 57 | Q | 87.1 | Confident | 80.5 | Confident | 96 Ų | 96 | 95.6 Ų | 95.6 | 45% | 0.449 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.4 | -44.5 | 176.9 | -175.3 | 59.6 | 32.9 | 0 | 0 | 111.9 | V53 Q54 W59 R60 E61 | V53-Q57 WeakPolarHBondContact O-CB 3.33Å; V53-Q57 PolarHBondContact O-N 2.89Å; Q54-Q57 PolarHBondContact O-N 2.97Å; Q57-W59 VanDerWaalsContact C-N 3.31Å; Q57-W59 PolarHBondContact O-N 2.96Å; Q57-R60 PolarHBondContact O-N 2.93Å; Q57-E61 PolarHBondContact NE2-OE1 2.85Å; Q57-E61 WeakPolarHBondContact O-CG 3.46Å; Q57-E61 PolarHBondContact O-N 3.39Å |
| 58 | L | 90 | Very high | 82.6 | Confident | 100 Ų | 100 | 98.4 Ų | 98.4 | 52% | 0.524 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.2 | -38.7 | 175.2 | -72.9 | 172.1 | 0 | 0 | 0 | 111.9 | Q54 Q55 E61 L62 | Q54-L58 WeakPolarHBondContact O-CB 3.36Å; Q54-L58 VanDerWaalsContact O-CG 3.25Å; Q54-L58 WeakPolarHBondContact O-CG 3.48Å; Q54-L58 PolarHBondContact O-N 2.93Å; Q55-L58 PolarHBondContact O-N 3.45Å; L58-E61 PolarHBondContact O-N 3.48Å; L58-L62 WeakPolarHBondContact O-CB 3.18Å; L58-L62 PolarHBondContact O-N 3.15Å |
| 59 | W | 90.8 | Very high | 84 | Confident | 162 Ų | 162 | 94 Ų | 94 | 61% | 0.614 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.7 | -44.9 | 176.6 | -173.3 | 83 | 0 | 0 | 0 | 111.5 | Q55 D56 Q57 E61 L62 V63 | Q55-W59 WeakPolarHBondContact O-CB 3.47Å; Q55-W59 PolarHBondContact O-N 3.27Å; D56-W59 PolarHBondContact O-N 3.45Å; Q57-W59 VanDerWaalsContact C-N 3.31Å; Q57-W59 PolarHBondContact O-N 2.96Å; W59-E61 VanDerWaalsContact C-N 3.35Å; W59-E61 PolarHBondContact O-N 3.46Å; W59-L62 PolarHBondContact O-N 3.05Å; W59-V63 HydrophobicContact CD2-CG2 4Å; W59-V63 HydrophobicContact CE3-CG2 4.2Å; W59-V63 HydrophobicContact CH2-CG2 4Å; W59-V63 HydrophobicContact CZ2-CG2 3.78Å; W59-V63 HydrophobicContact CZ3-CG2 4.2Å; W59-V63 WeakPolarHBondContact O-CG2 3.39Å; W59-V63 PolarHBondContact O-N 3.11Å |
| 60 | R | 93.2 | Very high | 85.4 | Confident | 133 Ų | 133 | 96.6 Ų | 96.6 | 50% | 0.502 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -57.8 | -46.7 | 173.8 | -74.9 | 168.6 | 170.9 | -93.2 | -4.3 | 111.7 | D56 Q57 L62 V63 E64 | D56-R60 WeakPolarHBondContact O-CG 3.25Å; D56-R60 PolarHBondContact O-N 3.03Å; D56-R60 IonicContact OD2-CZ 3.47Å; D56-R60 IonicContact OD2-NE 3.99Å; D56-R60 PolarHBondContact OD2-NE 3.34Å; Q57-R60 PolarHBondContact O-N 2.93Å; R60-L62 VanDerWaalsContact C-N 3.34Å; R60-L62 PolarHBondContact O-N 2.88Å; R60-V63 PolarHBondContact O-N 3.43Å; R60-E64 WeakPolarHBondContact O-CB 3.43Å; R60-E64 WeakPolarHBondContact O-CG 3.36Å; R60-E64 PolarHBondContact O-N 2.94Å |
| 61 | E | 93.3 | Very high | 86.7 | Confident | 95 Ų | 95 | 101.6 Ų | 101.6 | 44% | 0.444 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.5 | -38.6 | 179 | -74.7 | 173.2 | -162.8 | 0 | 0 | 112.6 | Q57 L58 W59 A65 | Q57-E61 PolarHBondContact NE2-OE1 2.85Å; Q57-E61 WeakPolarHBondContact O-CG 3.46Å; Q57-E61 PolarHBondContact O-N 3.39Å; L58-E61 PolarHBondContact O-N 3.48Å; W59-E61 VanDerWaalsContact C-N 3.35Å; W59-E61 PolarHBondContact O-N 3.46Å; E61-A65 VanDerWaalsContact O-CB 3.25Å; E61-A65 WeakPolarHBondContact O-CB 3.32Å; E61-A65 PolarHBondContact O-N 2.96Å |
| 62 | L | 92.9 | Very high | 88 | Confident | 117 Ų | 117 | 102.5 Ų | 102.5 | 61% | 0.613 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.9 | -48.9 | 176.2 | -169.3 | 85.8 | 0 | 0 | 0 | 111.4 | L58 W59 R60 E64 A65 E66 | L58-L62 WeakPolarHBondContact O-CB 3.18Å; L58-L62 PolarHBondContact O-N 3.15Å; W59-L62 PolarHBondContact O-N 3.05Å; R60-L62 VanDerWaalsContact C-N 3.34Å; R60-L62 PolarHBondContact O-N 2.88Å; L62-E64 VanDerWaalsContact C-N 3.31Å; L62-E64 PolarHBondContact O-N 3.39Å; L62-A65 PolarHBondContact O-N 3.42Å; L62-A65 VanDerWaalsContact O-N 3.15Å; L62-E66 WeakPolarHBondContact O-CB 3.34Å; L62-E66 PolarHBondContact O-N 2.95Å |
| 63 | V | 95.1 | Very high | 89.1 | Confident | 58 Ų | 58 | 105.8 Ų | 105.8 | 35% | 0.352 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.3 | -42.3 | 179.1 | 170.7 | 0 | 0 | 0 | 0 | 110.6 | W59 R60 E66 A67 | W59-V63 HydrophobicContact CD2-CG2 4Å; W59-V63 HydrophobicContact CE3-CG2 4.2Å; W59-V63 HydrophobicContact CH2-CG2 4Å; W59-V63 HydrophobicContact CZ2-CG2 3.78Å; W59-V63 HydrophobicContact CZ3-CG2 4.2Å; W59-V63 WeakPolarHBondContact O-CG2 3.39Å; W59-V63 PolarHBondContact O-N 3.11Å; R60-V63 PolarHBondContact O-N 3.43Å; V63-E66 PolarHBondContact O-N 3.47Å; V63-A67 WeakPolarHBondContact O-CB 3.48Å; V63-A67 PolarHBondContact O-N 2.92Å |
| 64 | E | 93.9 | Very high | 90.1 | Very high | 106 Ų | 106 | 103.8 Ų | 103.8 | 50% | 0.495 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.7 | -39.2 | 175 | -72.4 | -177.5 | -173.8 | 0 | 0 | 112.4 | R60 L62 A67 R68 | R60-E64 WeakPolarHBondContact O-CB 3.43Å; R60-E64 WeakPolarHBondContact O-CG 3.36Å; R60-E64 PolarHBondContact O-N 2.94Å; L62-E64 VanDerWaalsContact C-N 3.31Å; L62-E64 PolarHBondContact O-N 3.39Å; E64-A67 PolarHBondContact O-N 2.84Å; E64-R68 WeakPolarHBondContact O-CB 3.11Å; E64-R68 VanDerWaalsContact O-CG 3.26Å; E64-R68 WeakPolarHBondContact O-CG 3.25Å; E64-R68 PolarHBondContact O-N 2.79Å; E64-R68 IonicContact OE2-NH1 3.76Å; E64-R68 PolarHBondContact OE2-NH1 3.44Å |
| 65 | A | 92.6 | Very high | 90.8 | Very high | 45 Ų | 45 | 106.8 Ų | 106.8 | 37% | 0.372 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E61 L62 R68 G69 | E61-A65 VanDerWaalsContact O-CB 3.25Å; E61-A65 WeakPolarHBondContact O-CB 3.32Å; E61-A65 PolarHBondContact O-N 2.96Å; L62-A65 PolarHBondContact O-N 3.42Å; L62-A65 VanDerWaalsContact O-N 3.15Å; A65-R68 VanDerWaalsContact CA-NH2 3.34Å; A65-R68 PolarHBondContact O-N 3.4Å; A65-G69 PolarHBondContact O-N 2.95Å |
| 66 | E | 95.3 | Very high | 91.3 | Very high | 133 Ų | 133 | 104.8 Ų | 104.8 | 62% | 0.621 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62 | -48.3 | 173.6 | -176.1 | 176.7 | -164 | 0 | 0 | 110.9 | L62 V63 R68 G69 Q70 | L62-E66 WeakPolarHBondContact O-CB 3.34Å; L62-E66 PolarHBondContact O-N 2.95Å; V63-E66 PolarHBondContact O-N 3.47Å; E66-R68 VanDerWaalsContact C-N 3.3Å; E66-R68 PolarHBondContact O-N 3.24Å; E66-G69 CarbonylContact O-C 3.56Å; E66-G69 WeakPolarHBondContact O-CA 3.3Å; E66-G69 PolarHBondContact O-N 3.33Å; E66-G69 VanDerWaalsContact O-N 3.07Å; E66-Q70 WeakPolarHBondContact O-CB 3.14Å; E66-Q70 PolarHBondContact O-N 3.44Å |
| 67 | A | 93.6 | Very high | 91.1 | Very high | 46 Ų | 46 | 107.7 Ų | 107.7 | 38% | 0.38 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.1 | -39.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V63 E64 R71 | V63-A67 WeakPolarHBondContact O-CB 3.48Å; V63-A67 PolarHBondContact O-N 2.92Å; E64-A67 PolarHBondContact O-N 2.84Å; A67-R71 WeakPolarHBondContact O-CG 3.46Å; A67-R71 PolarHBondContact O-N 2.83Å |
| 68 | R | 92.9 | Very high | 90.8 | Very high | 117 Ų | 117 | 103.3 Ų | 103.3 | 44% | 0.442 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67 | -41.3 | 173.5 | -71.3 | -174.6 | -54.1 | -102.1 | 2.7 | 111.7 | E64 A65 E66 R71 R72 | E64-R68 WeakPolarHBondContact O-CB 3.11Å; E64-R68 VanDerWaalsContact O-CG 3.26Å; E64-R68 WeakPolarHBondContact O-CG 3.25Å; E64-R68 PolarHBondContact O-N 2.79Å; E64-R68 IonicContact OE2-NH1 3.76Å; E64-R68 PolarHBondContact OE2-NH1 3.44Å; A65-R68 VanDerWaalsContact CA-NH2 3.34Å; A65-R68 PolarHBondContact O-N 3.4Å; E66-R68 VanDerWaalsContact C-N 3.3Å; E66-R68 PolarHBondContact O-N 3.24Å; R68-R71 PolarHBondContact O-N 2.77Å; R68-R72 WeakPolarHBondContact O-CB 3.16Å; R68-R72 WeakPolarHBondContact O-CG 3.25Å; R68-R72 PolarHBondContact O-N 3.37Å |
| 69 | G | 90.4 | Very high | 90.3 | Very high | 37 Ų | 37 | 103.3 Ų | 103.3 | 38% | 0.381 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.8 | -45.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A65 E66 R71 R72 W73 | A65-G69 PolarHBondContact O-N 2.95Å; E66-G69 CarbonylContact O-C 3.56Å; E66-G69 WeakPolarHBondContact O-CA 3.3Å; E66-G69 PolarHBondContact O-N 3.33Å; E66-G69 VanDerWaalsContact O-N 3.07Å; G69-R71 PolarHBondContact O-N 2.8Å; G69-R72 PolarHBondContact O-N 3.15Å; G69-W73 VanDerWaalsContact O-CB 3.3Å; G69-W73 WeakPolarHBondContact O-CB 3.33Å; G69-W73 PolarHBondContact O-N 3.49Å |
| 70 | Q | 89.1 | Confident | 89.8 | Confident | 113 Ų | 113 | 100.7 Ų | 100.7 | 53% | 0.528 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.8 | -44 | 177.5 | -167.7 | 67.2 | 19.1 | 0 | 0 | 111.8 | E66 W73 A74 | E66-Q70 WeakPolarHBondContact O-CB 3.14Å; E66-Q70 PolarHBondContact O-N 3.44Å; Q70-W73 PolarHBondContact O-N 3.05Å; Q70-A74 WeakPolarHBondContact O-CB 3.41Å; Q70-A74 PolarHBondContact O-N 3.39Å |
| 71 | R | 90.6 | Very high | 89.1 | Confident | 176 Ų | 176 | 100.6 Ų | 100.6 | 66% | 0.664 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.9 | -49.6 | 175.2 | -74.5 | 176.2 | -162.7 | -106.2 | 1.9 | 111.7 | A67 R68 G69 W73 A74 E75 | A67-R71 WeakPolarHBondContact O-CG 3.46Å; A67-R71 PolarHBondContact O-N 2.83Å; R68-R71 PolarHBondContact O-N 2.77Å; G69-R71 PolarHBondContact O-N 2.8Å; R71-W73 VanDerWaalsContact C-N 3.29Å; R71-W73 PolarHBondContact O-N 3.01Å; R71-A74 PolarHBondContact O-N 3.07Å; R71-A74 VanDerWaalsContact O-N 3.15Å; R71-E75 WeakPolarHBondContact O-CG 3.15Å; R71-E75 PolarHBondContact O-N 2.85Å |
| 72 | R | 91.1 | Very high | 88.5 | Confident | 163 Ų | 163 | 99.4 Ų | 99.4 | 62% | 0.615 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -60.9 | -39.5 | 177.4 | -71.7 | 174.8 | -179.1 | -175.5 | 0.3 | 111.7 | R68 G69 E75 N76 | R68-R72 WeakPolarHBondContact O-CB 3.16Å; R68-R72 WeakPolarHBondContact O-CG 3.25Å; R68-R72 PolarHBondContact O-N 3.37Å; G69-R72 PolarHBondContact O-N 3.15Å; R72-E75 PolarHBondContact O-N 3.33Å; R72-N76 WeakPolarHBondContact O-CB 3.05Å; R72-N76 PolarHBondContact O-N 2.92Å; R72-N76 PolarHBondContact O-ND2 3.34Å |
| 73 | W | 91.1 | Very high | 87.9 | Confident | 122 Ų | 122 | 97.9 Ų | 97.9 | 46% | 0.462 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.3 | -42.7 | 175.5 | -177.2 | 90.5 | 0 | 0 | 0 | 111.2 | G69 Q70 R71 E75 N76 W77 G78 | G69-W73 VanDerWaalsContact O-CB 3.3Å; G69-W73 WeakPolarHBondContact O-CB 3.33Å; G69-W73 PolarHBondContact O-N 3.49Å; Q70-W73 PolarHBondContact O-N 3.05Å; R71-W73 VanDerWaalsContact C-N 3.29Å; R71-W73 PolarHBondContact O-N 3.01Å; W73-E75 VanDerWaalsContact C-N 3.34Å; W73-E75 PolarHBondContact O-N 3.41Å; W73-N76 PolarHBondContact O-N 2.98Å; W73-W77 AromaticContact CD1-CD1 3.79Å; W73-W77 HydrophobicContact CD2-CB 4.3Å; W73-W77 HydrophobicContact CG-CB 4.35Å; W73-W77 HydrophobicContact CZ2-CB 4.44Å; W73-W77 CarbonylContact O-C 3.41Å; W73-W77 VanDerWaalsContact O-CA 3.26Å; W73-W77 WeakPolarHBondContact O-CA 3.32Å; W73-W77 WeakPolarHBondContact O-CB 3.5Å; W73-W77 PolarHBondContact O-N 3.26Å; W73-G78 PolarHBondContact O-N 3.5Å; W73-G78 VanDerWaalsContact O-N 3.08Å |
| 74 | A | 89.4 | Confident | 87.2 | Confident | 52 Ų | 52 | 98.3 Ų | 98.3 | 43% | 0.43 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.2 | -37.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q70 R71 G78 | Q70-A74 WeakPolarHBondContact O-CB 3.41Å; Q70-A74 PolarHBondContact O-N 3.39Å; R71-A74 PolarHBondContact O-N 3.07Å; R71-A74 VanDerWaalsContact O-N 3.15Å; A74-G78 WeakPolarHBondContact O-CA 3.38Å; A74-G78 PolarHBondContact O-N 2.76Å |
| 75 | E | 89.4 | Confident | 86.4 | Confident | 148 Ų | 148 | 99.7 Ų | 99.7 | 69% | 0.692 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -69.3 | -45.8 | 176.4 | -71.8 | 164.1 | -166.2 | 0 | 0 | 112.2 | R71 R72 W73 | R71-E75 WeakPolarHBondContact O-CG 3.15Å; R71-E75 PolarHBondContact O-N 2.85Å; R72-E75 PolarHBondContact O-N 3.33Å; W73-E75 VanDerWaalsContact C-N 3.34Å; W73-E75 PolarHBondContact O-N 3.41Å |
| 76 | N | 87.8 | Confident | 85.9 | Confident | 101 Ų | 101 | 104.7 Ų | 104.7 | 54% | 0.54 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -86.6 | -32.3 | -173.9 | -68.7 | -70.9 | 0 | 0 | 0 | 113.5 | R72 W73 F79 | R72-N76 WeakPolarHBondContact O-CB 3.05Å; R72-N76 PolarHBondContact O-N 2.92Å; R72-N76 PolarHBondContact O-ND2 3.34Å; W73-N76 PolarHBondContact O-N 2.98Å; N76-F79 WeakPolarHBondContact O-CE1 3.26Å |
| 77 | W | 84.1 | Confident | 85.2 | Confident | 141 Ų | 141 | 100.7 Ų | 100.7 | 53% | 0.534 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -128.7 | -2.7 | -171.9 | -62.4 | 119.5 | 0 | 0 | 0 | 113.6 | W73 F79 L80 | W73-W77 AromaticContact CD1-CD1 3.79Å; W73-W77 HydrophobicContact CD2-CB 4.3Å; W73-W77 HydrophobicContact CG-CB 4.35Å; W73-W77 HydrophobicContact CZ2-CB 4.44Å; W73-W77 CarbonylContact O-C 3.41Å; W73-W77 VanDerWaalsContact O-CA 3.26Å; W73-W77 WeakPolarHBondContact O-CA 3.32Å; W73-W77 WeakPolarHBondContact O-CB 3.5Å; W73-W77 PolarHBondContact O-N 3.26Å; W77-F79 AromaticContact CE3-CE1 3.8Å; W77-F79 HydrophobicContact CE3-CE1 3.8Å; W77-F79 AromaticContact CE3-CZ 3.95Å; W77-F79 HydrophobicContact CE3-CZ 3.95Å; W77-F79 HydrophobicContact CZ3-CE1 4.15Å; W77-F79 AromaticContact CZ3-CZ 4Å; W77-F79 HydrophobicContact CZ3-CZ 4Å; W77-F79 PolarHBondContact O-N 2.99Å; W77-F79 VanDerWaalsContact O-N 3.12Å; W77-L80 VanDerWaalsContact O-CB 3.25Å; W77-L80 WeakPolarHBondContact O-CB 3.46Å; W77-L80 PolarHBondContact O-N 2.86Å |
| 78 | G | 80.4 | Confident | 84.6 | Confident | 4 Ų | 4 | 103 Ų | 103 | 4% | 0.041 | 51% | 0.507 | C | S | . | . | G | 310 helix | trans | -60.9 | -24.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | W73 A74 L80 K81 | W73-G78 PolarHBondContact O-N 3.5Å; W73-G78 VanDerWaalsContact O-N 3.08Å; A74-G78 WeakPolarHBondContact O-CA 3.38Å; A74-G78 PolarHBondContact O-N 2.76Å; G78-L80 PolarHBondContact O-N 3.33Å; G78-K81 WeakPolarHBondContact O-CD 3.27Å; G78-K81 WeakPolarHBondContact O-CE 3.36Å; G78-K81 WeakPolarHBondContact O-CG 3.34Å; G78-K81 PolarHBondContact O-N 2.77Å |
| 79 | F | 79.1 | Confident | 84 | Confident | 101 Ų | 101 | 105.2 Ų | 105.2 | 44% | 0.443 | 52% | 0.519 | S | S | . | . | G | 310 helix | trans | -61 | -31.5 | 174.1 | 75.6 | -95.1 | 0 | 0 | 0 | 112.1 | N76 W77 K81 D82 Y83 | N76-F79 WeakPolarHBondContact O-CE1 3.26Å; W77-F79 AromaticContact CE3-CE1 3.8Å; W77-F79 HydrophobicContact CE3-CE1 3.8Å; W77-F79 AromaticContact CE3-CZ 3.95Å; W77-F79 HydrophobicContact CE3-CZ 3.95Å; W77-F79 HydrophobicContact CZ3-CE1 4.15Å; W77-F79 AromaticContact CZ3-CZ 4Å; W77-F79 HydrophobicContact CZ3-CZ 4Å; W77-F79 PolarHBondContact O-N 2.99Å; W77-F79 VanDerWaalsContact O-N 3.12Å; F79-K81 PolarHBondContact O-N 3.48Å; F79-K81 VanDerWaalsContact O-N 3.15Å; F79-D82 WeakPolarHBondContact O-CB 3.46Å; F79-D82 PolarHBondContact O-N 2.96Å; F79-Y83 HydrophobicContact CB-CE2 4.09Å; F79-Y83 AromaticContact CD2-CD2 3.87Å; F79-Y83 HydrophobicContact CD2-CD2 3.87Å; F79-Y83 AromaticContact CD2-CE2 3.83Å; F79-Y83 HydrophobicContact CD2-CE2 3.83Å; F79-Y83 HydrophobicContact CG-CE2 4.45Å; F79-Y83 WeakPolarHBondContact O-CD2 3.48Å; F79-Y83 WeakPolarHBondContact O-CE2 3.45Å |
| 80 | L | 81.3 | Confident | 83.5 | Confident | 107 Ų | 107 | 108.7 Ų | 108.7 | 56% | 0.56 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -62.8 | -25.3 | -176.7 | -161.1 | 70.2 | 0 | 0 | 0 | 112.8 | W77 G78 D82 Y83 | W77-L80 VanDerWaalsContact O-CB 3.25Å; W77-L80 WeakPolarHBondContact O-CB 3.46Å; W77-L80 PolarHBondContact O-N 2.86Å; G78-L80 PolarHBondContact O-N 3.33Å; L80-D82 PolarHBondContact O-N 3.28Å; L80-Y83 PolarHBondContact O-N 3.12Å |
| 81 | K | 78.7 | Confident | 82.8 | Confident | 130 Ų | 130 | 111.9 Ų | 111.9 | 57% | 0.565 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -68.5 | -23.3 | 176 | 84.4 | -158.4 | 161.2 | 57.1 | 0 | 112.5 | G78 F79 | G78-K81 WeakPolarHBondContact O-CD 3.27Å; G78-K81 WeakPolarHBondContact O-CE 3.36Å; G78-K81 WeakPolarHBondContact O-CG 3.34Å; G78-K81 PolarHBondContact O-N 2.77Å; F79-K81 PolarHBondContact O-N 3.48Å; F79-K81 VanDerWaalsContact O-N 3.15Å |
| 82 | D | 80.2 | Confident | 81.9 | Confident | 70 Ų | 70 | 109.1 Ų | 109.1 | 37% | 0.374 | 54% | 0.544 | S | S | . | . | G | 310 helix | trans | -98 | 1.1 | -174.2 | -55.5 | -38.4 | 0 | 0 | 0 | 111.8 | F79 L80 K89 K90 | F79-D82 WeakPolarHBondContact O-CB 3.46Å; F79-D82 PolarHBondContact O-N 2.96Å; L80-D82 PolarHBondContact O-N 3.28Å; D82-K89 CarbonylContact O-C 3.51Å; D82-K89 WeakPolarHBondContact O-CA 3.33Å; D82-K90 PolarHBondContact O-N 2.94Å |
| 83 | Y | 79.8 | Confident | 80.9 | Confident | 86 Ų | 86 | 109.4 Ų | 109.4 | 34% | 0.337 | 55% | 0.552 | S | S | . | * | B | Isolated β-bridge | trans | -119 | 138.8 | 178.3 | -65 | -82.1 | 0 | 0 | 0 | 112.5 | F79 L80 G87 N88 K89 | F79-Y83 HydrophobicContact CB-CE2 4.09Å; F79-Y83 AromaticContact CD2-CD2 3.87Å; F79-Y83 HydrophobicContact CD2-CD2 3.87Å; F79-Y83 AromaticContact CD2-CE2 3.83Å; F79-Y83 HydrophobicContact CD2-CE2 3.83Å; F79-Y83 HydrophobicContact CG-CE2 4.45Å; F79-Y83 WeakPolarHBondContact O-CD2 3.48Å; F79-Y83 WeakPolarHBondContact O-CE2 3.45Å; L80-Y83 PolarHBondContact O-N 3.12Å; Y83-G87 WeakPolarHBondContact CD1-O 3.03Å; Y83-N88 CarbonylContact C-O 3.54Å; Y83-N88 VanDerWaalsContact CA-O 3.27Å; Y83-N88 WeakPolarHBondContact CA-O 3.08Å; Y83-K89 HydrophobicContact CD1-CG 4.1Å; Y83-K89 HydrophobicContact CE1-CG 3.5Å |
| 84 | D | 80 | Confident | 80 | Confident | 66 Ų | 66 | 112.2 Ų | 112.2 | 35% | 0.353 | 57% | 0.571 | S | S | . | * | trans | -74.8 | 163.6 | 169.1 | -86.5 | -24.3 | 0 | 0 | 0 | 111.2 | L86 G87 N88 K90 | D84-L86 PolarHBondContact O-N 3.08Å; D84-G87 WeakPolarHBondContact O-CA 3.48Å; D84-G87 PolarHBondContact O-N 2.96Å; D84-N88 PolarHBondContact N-O 2.73Å; D84-K90 HydrophobicContact CB-CG 4.34Å; D84-K90 WeakPolarHBondContact OD1-CD 3.34Å; D84-K90 WeakPolarHBondContact OD1-CE 3.26Å; D84-K90 VanDerWaalsContact OD1-CG 3.25Å; D84-K90 WeakPolarHBondContact OD1-CG 3.25Å; D84-K90 IonicContact OD1-NZ 2.98Å | ||
| 85 | P | 77.6 | Confident | 79.3 | Confident | 136 Ų | 136 | 116.8 Ų | 116.8 | 88% | 0.883 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56 | -20.7 | 176 | -25.4 | 34.3 | 0 | 0 | 0 | 114.4 | G87 | P85-G87 VanDerWaalsContact C-N 3.33Š|
| 86 | L | 82.4 | Confident | 78.8 | Confident | 150 Ų | 150 | 114 Ų | 114 | 79% | 0.785 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | 1.5 | 173.2 | -101 | 67.7 | 0 | 0 | 0 | 114 | D84 N88 | D84-L86 PolarHBondContact O-N 3.08Å; L86-N88 VanDerWaalsContact C-N 3.32Å; L86-N88 PolarHBondContact O-N 3.45Å |
| 87 | G | 79.8 | Confident | 78.3 | Confident | 49 Ų | 49 | 114.7 Ų | 114.7 | 51% | 0.505 | 60% | 0.602 | S | S | . | * | S | Bend | trans | 79.3 | 8.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | Y83 D84 P85 | Y83-G87 WeakPolarHBondContact CD1-O 3.03Å; D84-G87 WeakPolarHBondContact O-CA 3.48Å; D84-G87 PolarHBondContact O-N 2.96Å; P85-G87 VanDerWaalsContact C-N 3.33Å |
| 88 | N | 81.8 | Confident | 77.6 | Confident | 95 Ų | 95 | 112.6 Ų | 112.6 | 51% | 0.508 | 61% | 0.608 | S | S | . | * | P | Polyproline II helix | trans | -82 | 144.4 | 176.8 | -64.4 | -38.2 | 0 | 0 | 0 | 110.6 | Y83 D84 L86 K90 | Y83-N88 CarbonylContact C-O 3.54Å; Y83-N88 VanDerWaalsContact CA-O 3.27Å; Y83-N88 WeakPolarHBondContact CA-O 3.08Å; D84-N88 PolarHBondContact N-O 2.73Å; L86-N88 VanDerWaalsContact C-N 3.32Å; L86-N88 PolarHBondContact O-N 3.45Å; N88-K90 PolarHBondContact O-N 3.45Å |
| 89 | K | 80.4 | Confident | 77.3 | Confident | 162 Ų | 162 | 117.6 Ų | 117.6 | 70% | 0.704 | 64% | 0.638 | S | S | * | * | B | Isolated β-bridge | trans | -66.1 | 124 | 173.4 | -68.5 | -179.1 | 179 | -179.4 | 0 | 109.2 | D82 Y83 | D82-K89 CarbonylContact O-C 3.51Å; D82-K89 WeakPolarHBondContact O-CA 3.33Å; Y83-K89 HydrophobicContact CD1-CG 4.1Å; Y83-K89 HydrophobicContact CE1-CG 3.5Å |
| 90 | K | 78.6 | Confident | 77.2 | Confident | 110 Ų | 110 | 116.3 Ų | 116.3 | 48% | 0.478 | 64% | 0.64 | S | S | . | * | P | Polyproline II helix | trans | -69.9 | 128.7 | 173.1 | -63.2 | -172.6 | 78.1 | 173.3 | 0 | 108.4 | D82 D84 N88 | D82-K90 PolarHBondContact O-N 2.94Å; D84-K90 HydrophobicContact CB-CG 4.34Å; D84-K90 WeakPolarHBondContact OD1-CD 3.34Å; D84-K90 WeakPolarHBondContact OD1-CE 3.26Å; D84-K90 VanDerWaalsContact OD1-CG 3.25Å; D84-K90 WeakPolarHBondContact OD1-CG 3.25Å; D84-K90 IonicContact OD1-NZ 2.98Å; N88-K90 PolarHBondContact O-N 3.45Å |
| 91 | E | 75.8 | Confident | 76.6 | Confident | 180 Ų | 180 | 120 Ų | 120 | 84% | 0.841 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 133.6 | 165.3 | -67.3 | -163.4 | 154.5 | 0 | 0 | 108.3 | Q93 | E91-Q93 PolarHBondContact O-N 3.49Š|
| 92 | P | 70.5 | Confident | 76.1 | Confident | 119 Ų | 119 | 118.7 Ų | 118.7 | 77% | 0.773 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 117.3 | 176.4 | -18.3 | 29.2 | 0 | 0 | 0 | 108.2 | E94 | P92-E94 PolarHBondContact O-N 2.86Š|
| 93 | Q | 70.3 | Confident | 75.5 | Confident | 169 Ų | 169 | 118.3 Ų | 118.3 | 79% | 0.79 | 65% | 0.649 | S | S | * | * | trans | -64.4 | 111.6 | 173.7 | -178.1 | 168.3 | 48.2 | 0 | 0 | 107.3 | E91 L95 | E91-Q93 PolarHBondContact O-N 3.49Å; Q93-L95 PolarHBondContact O-N 3.15Å | ||
| 94 | E | 73.1 | Confident | 75.1 | Confident | 181 Ų | 181 | 121.7 Ų | 121.7 | 85% | 0.846 | 67% | 0.673 | S | S | * | * | trans | -60 | 109 | 172.6 | -68.4 | -172.4 | 167.9 | 0 | 0 | 107.6 | P92 | P92-E94 PolarHBondContact O-N 2.86Š| ||
| 95 | L | 75 | Confident | 74.8 | Confident | 147 Ų | 147 | 123.9 Ų | 123.9 | 77% | 0.77 | 69% | 0.689 | S | S | * | * | trans | -63.6 | 132 | 176 | -67.9 | 173.9 | 0 | 0 | 0 | 107.4 | Q93 A97 | Q93-L95 PolarHBondContact O-N 3.15Å; L95-A97 PolarHBondContact O-N 3.37Å | ||
| 96 | P | 78.7 | Confident | 74.6 | Confident | 89 Ų | 89 | 124.3 Ų | 124.3 | 58% | 0.578 | 68% | 0.677 | S | S | * | * | trans | -56.4 | 130.4 | 176.6 | 12.7 | -20.9 | 0 | 0 | 0 | 109.9 | S98 V99 | P96-S98 PolarHBondContact O-N 2.76Å; P96-V99 HydrophobicContact CB-CG2 4.28Å; P96-V99 HydrophobicContact CG-CG2 3.7Å | ||
| 97 | A | 76.8 | Confident | 74 | Confident | 117 Ų | 117 | 123.2 Ų | 123.2 | 97% | 0.967 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -57.7 | -19 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L95 | L95-A97 PolarHBondContact O-N 3.37Š|
| 98 | S | 68.6 | Low | 73.1 | Confident | 96 Ų | 96 | 123.5 Ų | 123.5 | 67% | 0.671 | 67% | 0.672 | S | S | * | * | trans | -152.2 | 108.5 | 179.1 | 169 | 0 | 0 | 0 | 0 | 108.1 | P96 | P96-S98 PolarHBondContact O-N 2.76Š| ||
| 99 | V | 74.9 | Confident | 72.5 | Confident | 110 Ų | 110 | 124.1 Ų | 124.1 | 67% | 0.667 | 68% | 0.684 | S | S | * | * | trans | -99.4 | 111.3 | 161.7 | -176.7 | 0 | 0 | 0 | 0 | 105.7 | P96 F101 | P96-V99 HydrophobicContact CB-CG2 4.28Å; P96-V99 HydrophobicContact CG-CG2 3.7Å; V99-F101 PolarHBondContact O-N 3.09Å | ||
| 100 | P | 77.4 | Confident | 71.8 | Confident | 73 Ų | 73 | 121.8 Ų | 121.8 | 47% | 0.474 | 68% | 0.684 | S | S | . | * | trans | -60 | 129 | 178.1 | 25.1 | -32.2 | 0 | 0 | 0 | 108.8 | F102 | P100-F102 WeakPolarHBondContact CB-O 3.33Å; P100-F102 PolarHBondContact O-N 3.48Å | ||
| 101 | F | 67.7 | Low | 71 | Confident | 186 Ų | 186 | 121.9 Ų | 121.9 | 82% | 0.816 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -60.6 | -28 | 180 | -179.8 | -95.6 | 0 | 0 | 0 | 111.8 | V99 | V99-F101 PolarHBondContact O-N 3.09Š|
| 102 | F | 69.1 | Low | 70.4 | Confident | 101 Ų | 101 | 124.5 Ų | 124.5 | 44% | 0.443 | 69% | 0.692 | S | S | . | * | S | Bend | trans | -106.3 | 135.5 | 173.5 | -58.9 | -69.2 | 0 | 0 | 0 | 109.5 | P100 D104 C108 | P100-F102 WeakPolarHBondContact CB-O 3.33Å; P100-F102 PolarHBondContact O-N 3.48Å; F102-D104 PolarHBondContact O-N 3.32Å; F102-C108 HydrophobicContact CD1-CB 3.64Å; F102-C108 HydrophobicContact CE1-CB 3.95Å; F102-C108 WeakPolarHBondContact CE1-SG 3.2Å |
| 103 | S | 66.9 | Low | 69.9 | Low | 63 Ų | 63 | 127.3 Ų | 127.3 | 44% | 0.441 | 69% | 0.694 | S | S | . | * | trans | -68.9 | 128.4 | 169 | 55 | 0 | 0 | 0 | 0 | 109.9 | T105 F106 | S103-T105 PolarHBondContact O-N 3.09Å; S103-F106 PolarHBondContact O-N 3.31Å; S103-F106 VanDerWaalsContact O-O 3.1Å; S103-F106 PolarHBondContact OG-O 3Å | ||
| 104 | D | 70.9 | Confident | 69.5 | Low | 156 Ų | 156 | 125.8 Ų | 125.8 | 83% | 0.834 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -16.6 | 171.2 | -64.6 | -37.5 | 0 | 0 | 0 | 112.5 | F102 | F102-D104 PolarHBondContact O-N 3.32Š|
| 105 | T | 74.8 | Confident | 68.7 | Low | 112 Ų | 112 | 120 Ų | 120 | 69% | 0.687 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -25.7 | -177.8 | -41.9 | 0 | 0 | 0 | 0 | 113.6 | S103 | S103-T105 PolarHBondContact O-N 3.09Š|
| 106 | F | 73.3 | Confident | 68 | Low | 146 Ų | 146 | 118.4 Ų | 118.4 | 64% | 0.64 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -131.8 | 128.5 | -174.4 | -61.1 | -76.9 | 0 | 0 | 0 | 111.4 | S103 C108 | S103-F106 PolarHBondContact O-N 3.31Å; S103-F106 VanDerWaalsContact O-O 3.1Å; S103-F106 PolarHBondContact OG-O 3Å; F106-C108 PolarHBondContact O-N 3.23Å |
| 107 | P | 69.6 | Low | 67.2 | Low | 126 Ų | 126 | 125.6 Ų | 125.6 | 82% | 0.818 | 70% | 0.702 | S | S | * | * | trans | -61.7 | 126.9 | 174.9 | 25.5 | -32.3 | 0 | 0 | 0 | 109.9 | S109 | P107-S109 PolarHBondContact O-N 3.35Š| ||
| 108 | C | 61.6 | Low | 65.6 | Low | 55 Ų | 55 | 129.8 Ų | 129.8 | 37% | 0.372 | 72% | 0.715 | S | S | . | * | trans | -72.1 | 109.4 | 176.1 | -174.2 | 0 | 0 | 0 | 0 | 109.9 | F102 F106 T110 | F102-C108 HydrophobicContact CD1-CB 3.64Å; F102-C108 HydrophobicContact CE1-CB 3.95Å; F102-C108 WeakPolarHBondContact CE1-SG 3.2Å; F106-C108 PolarHBondContact O-N 3.23Å; C108-T110 PolarHBondContact O-N 3.27Å; C108-T110 VanDerWaalsContact SG-CB 3.57Å | ||
| 109 | S | 68.6 | Low | 65.4 | Low | 108 Ų | 108 | 131.5 Ų | 131.5 | 76% | 0.755 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | 3.9 | 177.5 | 70.7 | 0 | 0 | 0 | 0 | 113.9 | P107 N111 | P107-S109 PolarHBondContact O-N 3.35Å; S109-N111 VanDerWaalsContact C-N 3.29Å; S109-N111 PolarHBondContact O-N 3.32Å |
| 110 | T | 64.8 | Low | 64.9 | Low | 114 Ų | 114 | 132.6 Ų | 132.6 | 70% | 0.699 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -25.8 | -175 | -59.4 | 0 | 0 | 0 | 0 | 112.2 | C108 R112 | C108-T110 PolarHBondContact O-N 3.27Å; C108-T110 VanDerWaalsContact SG-CB 3.57Å; T110-R112 PolarHBondContact O-N 3.27Å |
| 111 | N | 62 | Low | 64.2 | Low | 111 Ų | 111 | 135.9 Ų | 135.9 | 59% | 0.594 | 73% | 0.734 | S | S | * | * | trans | -86.4 | 96.8 | 171.7 | -63.8 | -28.5 | 0 | 0 | 0 | 108.4 | S109 E113 | S109-N111 VanDerWaalsContact C-N 3.29Å; S109-N111 PolarHBondContact O-N 3.32Å; N111-E113 PolarHBondContact O-N 3.15Å | ||
| 112 | R | 63.6 | Low | 64 | Low | 236 Ų | 236 | 133 Ų | 133 | 89% | 0.891 | 73% | 0.729 | S | S | * | * | trans | -69.3 | 56.9 | 165.1 | -75.7 | 178.5 | 164 | 176.9 | -4.4 | 110.2 | T110 V114 | T110-R112 PolarHBondContact O-N 3.27Å; R112-V114 PolarHBondContact O-N 3Å | ||
| 113 | E | 61.2 | Low | 63.7 | Low | 178 Ų | 178 | 135 Ų | 135 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | trans | -78.9 | 86.3 | 164 | -82.4 | 179.4 | 164.7 | 0 | 0 | 107.7 | N111 G115 | N111-E113 PolarHBondContact O-N 3.15Å; E113-G115 VanDerWaalsContact C-N 3.32Å; E113-G115 PolarHBondContact O-N 3.15Å | ||
| 114 | V | 60.8 | Low | 63.5 | Low | 136 Ų | 136 | 139.8 Ų | 139.8 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | trans | -69.8 | 96 | 164.2 | -178.3 | 0 | 0 | 0 | 0 | 106.1 | R112 S116 | R112-V114 PolarHBondContact O-N 3Å; V114-S116 PolarHBondContact O-N 3.14Å; V114-S116 VanDerWaalsContact O-N 3.1Å | ||
| 115 | G | 56.2 | Low | 63 | Low | 60 Ų | 60 | 138.6 Ų | 138.6 | 62% | 0.619 | 76% | 0.763 | S | S | * | * | trans | -55.6 | 115.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | E113 R117 | E113-G115 VanDerWaalsContact C-N 3.32Å; E113-G115 PolarHBondContact O-N 3.15Å; G115-R117 PolarHBondContact O-N 3.42Å | ||
| 116 | S | 59.7 | Low | 62 | Low | 114 Ų | 114 | 140.7 Ų | 140.7 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | trans | -60.4 | 100.6 | 164.3 | 161.6 | 0 | 0 | 0 | 0 | 108.1 | V114 V118 | V114-S116 PolarHBondContact O-N 3.14Å; V114-S116 VanDerWaalsContact O-N 3.1Å; S116-V118 PolarHBondContact O-N 3.38Å | ||
| 117 | R | 63.3 | Low | 61.1 | Low | 240 Ų | 240 | 140.3 Ų | 140.3 | 91% | 0.906 | 78% | 0.779 | S | S | * | * | trans | -77.1 | 118.5 | 166 | -67.6 | -178.7 | 177.3 | -111.4 | -0.1 | 107.5 | G115 | G115-R117 PolarHBondContact O-N 3.42Š| ||
| 118 | V | 41.9 | Very low | 60.3 | Low | 205 Ų | 205 | 141.5 Ų | 141.5 | 100% | 1.242 | 78% | 0.775 | S | S | * | * | trans | -66.1 | 0 | 156.1 | -175.8 | 0 | 0 | 0 | 0 | 108.2 | S116 | S116-V118 PolarHBondContact O-N 3.38Š|
Retrieved 118 of 118 residues in 23.9 ms
(Link to these results)