| 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 | 53.4 | Low | 64.1 | Low | 239 Ų | 239 | 140 Ų | 140 | 100% | 1.177 | 78% | 0.777 | S | S | * | * | 0 | 99.5 | 0 | -93.8 | 91.6 | -179.8 | 0 | 0 | 108.1 | |||||
| 2 | D | 57.8 | Low | 63.5 | Low | 168 Ų | 168 | 140.4 Ų | 140.4 | 90% | 0.898 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 123.8 | 171.6 | -67.8 | -73.6 | 0 | 0 | 0 | 109.6 | ||
| 3 | K | 68.5 | Low | 63.1 | Low | 190 Ų | 190 | 133.8 Ų | 133.8 | 83% | 0.826 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 136.5 | 178.2 | -177.9 | -168.9 | 171.8 | -171 | 0 | 109.4 | ||
| 4 | P | 72.9 | Confident | 62.3 | Low | 101 Ų | 101 | 133.2 Ų | 133.2 | 66% | 0.656 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 148.5 | 174.9 | 25.6 | -32.9 | 0 | 0 | 0 | 111.9 | ||
| 5 | P | 67.7 | Low | 61.4 | Low | 114 Ų | 114 | 136.7 Ų | 136.7 | 74% | 0.74 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 151.1 | 178.2 | 27.6 | -33.8 | 0 | 0 | 0 | 111.5 | ||
| 6 | P | 71.1 | Confident | 61 | Low | 113 Ų | 113 | 134.9 Ų | 134.9 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 154 | -178 | 27.3 | -33.7 | 0 | 0 | 0 | 112.2 | Y8 | P6-Y8 PolarHBondContact O-N 3.3Š|
| 7 | P | 66 | Low | 60.6 | Low | 124 Ų | 124 | 136.2 Ų | 136.2 | 81% | 0.805 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 131.6 | 174.4 | -17.8 | 29.7 | 0 | 0 | 0 | 110.9 | S9 | P7-S9 PolarHBondContact O-N 2.99Š|
| 8 | Y | 58.8 | Low | 60.2 | Low | 206 Ų | 206 | 138.2 Ų | 138.2 | 81% | 0.808 | 76% | 0.763 | S | S | * | * | trans | -75 | 114.6 | 176.8 | -166.6 | -89 | 0 | 0 | 0 | 109.9 | P6 | P6-Y8 PolarHBondContact O-N 3.3Š| ||
| 9 | S | 66.3 | Low | 59.9 | Low | 98 Ų | 98 | 138.2 Ų | 138.2 | 69% | 0.685 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 128.6 | 166.9 | 29.6 | 0 | 0 | 0 | 0 | 109.8 | P7 | P7-S9 PolarHBondContact O-N 2.99Š|
| 10 | P | 63.5 | Low | 59.7 | Low | 97 Ų | 97 | 136.2 Ų | 136.2 | 63% | 0.63 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 150 | 175.9 | 27.6 | -33.1 | 0 | 0 | 0 | 110.7 | T12 | P10-T12 PolarHBondContact O-N 3.37Š|
| 11 | P | 59.3 | Low | 59.3 | Low | 90 Ų | 90 | 134.6 Ų | 134.6 | 58% | 0.584 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 118.2 | 178.8 | -12.2 | 26.6 | 0 | 0 | 0 | 110.2 | A13 | P11-A13 PolarHBondContact O-N 2.92Š|
| 12 | T | 56.7 | Low | 59.4 | Low | 145 Ų | 145 | 129.1 Ų | 129.1 | 89% | 0.89 | 74% | 0.735 | S | S | * | * | trans | -75.1 | 60.4 | 168.1 | -34.4 | 0 | 0 | 0 | 0 | 109.5 | P10 | P10-T12 PolarHBondContact O-N 3.37Š| ||
| 13 | A | 57.7 | Low | 59.2 | Low | 55 Ų | 55 | 130 Ų | 130 | 46% | 0.455 | 73% | 0.727 | S | S | . | * | trans | -89.9 | 130.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108 | P11 Y15 | P11-A13 PolarHBondContact O-N 2.92Å; A13-Y15 WeakPolarHBondContact O-CE1 3.15Å; A13-Y15 PolarHBondContact O-N 3.1Å | ||
| 14 | P | 52.5 | Low | 59 | Low | 125 Ų | 125 | 126.9 Ų | 126.9 | 81% | 0.812 | 73% | 0.727 | S | S | * | * | trans | -64.4 | 107 | 172.4 | -9.4 | 23.6 | 0 | 0 | 0 | 107.7 | ||||
| 15 | Y | 49.5 | Very low | 57.9 | Low | 185 Ų | 185 | 127.7 Ų | 127.7 | 73% | 0.725 | 74% | 0.735 | S | S | * | * | trans | -64.6 | 137 | 168 | -21.3 | -76.9 | 0 | 0 | 0 | 107 | A13 I17 | A13-Y15 WeakPolarHBondContact O-CE1 3.15Å; A13-Y15 PolarHBondContact O-N 3.1Å; Y15-I17 PolarHBondContact O-N 3.09Å; Y15-I17 VanDerWaalsContact O-N 3.11Å | ||
| 16 | P | 53.7 | Low | 57.1 | Low | 109 Ų | 109 | 131.8 Ų | 131.8 | 71% | 0.708 | 74% | 0.737 | S | S | * | * | trans | -55.8 | 123.7 | 166 | 23.5 | -29.9 | 0 | 0 | 0 | 107.4 | Q18 | P16-Q18 VanDerWaalsContact C-N 3.34Å; P16-Q18 PolarHBondContact O-N 2.99Å | ||
| 17 | I | 55.1 | Low | 56.4 | Low | 157 Ų | 157 | 132.4 Ų | 132.4 | 81% | 0.805 | 74% | 0.741 | S | S | * | * | trans | -55.6 | 103.5 | 169.1 | -61.7 | -72.9 | 0 | 0 | 0 | 105.4 | Y15 | Y15-I17 PolarHBondContact O-N 3.09Å; Y15-I17 VanDerWaalsContact O-N 3.11Å | ||
| 18 | Q | 52.6 | Low | 55.4 | Low | 171 Ų | 171 | 133.8 Ų | 133.8 | 80% | 0.799 | 74% | 0.736 | S | S | * | * | trans | -81.1 | 121.6 | 169.6 | -79.6 | -179.1 | -31.7 | 0 | 0 | 107 | P16 | P16-Q18 VanDerWaalsContact C-N 3.34Å; P16-Q18 PolarHBondContact O-N 2.99Å | ||
| 19 | D | 54.2 | Low | 55 | Low | 138 Ų | 138 | 133 Ų | 133 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | trans | -44.8 | 137.8 | 178.1 | -69.5 | -61.2 | 0 | 0 | 0 | 111.9 | C21 | D19-C21 PolarHBondContact O-N 2.96Å; D19-C21 VanDerWaalsContact O-N 3.1Å | ||
| 20 | P | 57.3 | Low | 54.5 | Low | 98 Ų | 98 | 133.6 Ų | 133.6 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | trans | -63.9 | 115 | 179.5 | -16.1 | 28.9 | 0 | 0 | 0 | 110.5 | ||||
| 21 | C | 50.1 | Low | 53.7 | Low | 103 Ų | 103 | 136.7 Ų | 136.7 | 70% | 0.696 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 142 | 165.2 | -41.3 | 0 | 0 | 0 | 0 | 109 | D19 Y23 | D19-C21 PolarHBondContact O-N 2.96Å; D19-C21 VanDerWaalsContact O-N 3.1Å; C21-Y23 PolarHBondContact O-N 2.85Å |
| 22 | P | 55.5 | Low | 53.3 | Low | 125 Ų | 125 | 137.9 Ų | 137.9 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 120.9 | -176.4 | -7.6 | 22.1 | 0 | 0 | 0 | 110.4 | ||
| 23 | Y | 54.1 | Low | 52.5 | Low | 186 Ų | 186 | 134.4 Ų | 134.4 | 73% | 0.729 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 139 | 170.5 | -2.9 | -86.8 | 0 | 0 | 0 | 109.5 | C21 S25 | C21-Y23 PolarHBondContact O-N 2.85Å; Y23-S25 PolarHBondContact O-N 3Å |
| 24 | P | 64.1 | Low | 52.1 | Low | 125 Ų | 125 | 139 Ų | 139 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 117.8 | 168.1 | 25.2 | -30.3 | 0 | 0 | 0 | 109.5 | Y26 | P24-Y26 PolarHBondContact O-N 2.87Š|
| 25 | S | 50 | Low | 51.7 | Low | 118 Ų | 118 | 139.9 Ų | 139.9 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | trans | -69.3 | 113.8 | 172.8 | 43.9 | 0 | 0 | 0 | 0 | 109.8 | Y23 | Y23-S25 PolarHBondContact O-N 3Š| ||
| 26 | Y | 51.3 | Low | 51.1 | Low | 199 Ų | 199 | 139.2 Ų | 139.2 | 78% | 0.78 | 76% | 0.762 | S | S | * | * | trans | -72.9 | 144.9 | 164 | 55 | -87 | 0 | 0 | 0 | 108.9 | P24 Q28 | P24-Y26 PolarHBondContact O-N 2.87Å; Y26-Q28 PolarHBondContact O-N 3.14Å; Y26-Q28 VanDerWaalsContact O-N 3.08Å | ||
| 27 | P | 56.4 | Low | 50.8 | Low | 126 Ų | 126 | 143.9 Ų | 143.9 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -63 | 114.2 | -178.3 | 23 | -31.3 | 0 | 0 | 0 | 110.6 | M29 | P27-M29 PolarHBondContact O-N 2.8Å; P27-M29 VanDerWaalsContact O-N 3.14Å | ||
| 28 | Q | 45.5 | Very low | 50.3 | Low | 153 Ų | 153 | 146.3 Ų | 146.3 | 72% | 0.715 | 78% | 0.776 | S | S | * | * | trans | -72.2 | 99.2 | 169.2 | -168.6 | -122.7 | -84.8 | 0 | 0 | 107.7 | Y26 | Y26-Q28 PolarHBondContact O-N 3.14Å; Y26-Q28 VanDerWaalsContact O-N 3.08Å | ||
| 29 | M | 50.5 | Low | 50.2 | Low | 189 Ų | 189 | 141.6 Ų | 141.6 | 93% | 0.931 | 77% | 0.773 | S | S | * | * | trans | -66.8 | 140.9 | 170.4 | -164.4 | 168.6 | 178.3 | 0 | 0 | 109.4 | P27 | P27-M29 PolarHBondContact O-N 2.8Å; P27-M29 VanDerWaalsContact O-N 3.14Å | ||
| 30 | N | 55 | Low | 49.8 | Very low | 111 Ų | 111 | 140.9 Ų | 140.9 | 59% | 0.594 | 78% | 0.779 | S | S | * | * | trans | -98.3 | 125 | -155.7 | -176.5 | 32.3 | 0 | 0 | 0 | 111.4 | ||||
| 31 | Q | 47.3 | Very low | 49.3 | Very low | 163 Ų | 163 | 139.2 Ų | 139.2 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | 49.3 | 179.4 | 140.5 | -77.1 | -175.2 | 7.8 | 0 | 0 | 119.5 | ||||
| 32 | P | 51.2 | Low | 49.1 | Very low | 114 Ų | 114 | 145.8 Ų | 145.8 | 74% | 0.74 | 79% | 0.792 | S | S | * | * | cis | -125.9 | 159.1 | -8.1 | 20.6 | 2.8 | 0 | 0 | 0 | 113.8 | ||||
| 33 | G | 39.1 | Very low | 49 | Very low | 72 Ų | 72 | 148.3 Ų | 148.3 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | trans | -74.3 | 140.5 | 160.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 34 | N | 48.4 | Very low | 49.1 | Very low | 153 Ų | 153 | 145 Ų | 145 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -163.6 | 149.5 | 143.4 | -142.3 | -77 | 0 | 0 | 0 | 110.7 | ||||
| 35 | I | 45.2 | Very low | 49 | Very low | 143 Ų | 143 | 143.5 Ų | 143.5 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | trans | -58.1 | 150.4 | -169.8 | 38.4 | 157.7 | 0 | 0 | 0 | 116.8 | ||||
| 36 | Q | 37.4 | Very low | 49.7 | Very low | 171 Ų | 171 | 143 Ų | 143 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | trans | 29.8 | 129.8 | 144.1 | -49.9 | -149.1 | -68.5 | 0 | 0 | 119 | ||||
| 37 | F | 45.6 | Very low | 50.2 | Low | 206 Ų | 206 | 139.1 Ų | 139.1 | 90% | 0.904 | 79% | 0.785 | S | S | * | * | -173.4 | 148.5 | 113.7 | -114 | -119.5 | 0 | 0 | 0 | 111.2 | |||||
| 38 | F | 44.8 | Very low | 50.6 | Low | 209 Ų | 209 | 139.2 Ų | 139.2 | 92% | 0.917 | 78% | 0.783 | S | S | * | * | trans | -72.3 | 125.7 | -174.4 | -171.2 | -97.2 | 0 | 0 | 0 | 111.1 | ||||
| 39 | G | 51.3 | Low | 51.4 | Low | 71 Ų | 71 | 137.4 Ų | 137.4 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | trans | -170.5 | 102.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G41 | G39-G41 PolarHBondContact O-N 3.08Š| ||
| 40 | S | 45.2 | Very low | 52 | Low | 124 Ų | 124 | 134.1 Ų | 134.1 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | trans | -70.6 | 112.8 | 175.8 | 48 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 41 | G | 48.3 | Very low | 52.2 | Low | 63 Ų | 63 | 134.7 Ų | 134.7 | 65% | 0.649 | 78% | 0.775 | S | S | * | * | trans | -149 | 115.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | G39 Q43 | G39-G41 PolarHBondContact O-N 3.08Å; G41-Q43 PolarHBondContact O-N 2.78Å | ||
| 42 | Y | 45.1 | Very low | 52.8 | Low | 241 Ų | 241 | 132.5 Ų | 132.5 | 95% | 0.945 | 77% | 0.772 | S | S | * | * | trans | -61.8 | 103.3 | 175.7 | -74.9 | -101.7 | 0 | 0 | 0 | 109.1 | ||||
| 43 | Q | 52.8 | Low | 53.3 | Low | 178 Ų | 178 | 134.8 Ų | 134.8 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -99.4 | 133.2 | 161.5 | -82.4 | -143.6 | -99.3 | 0 | 0 | 109.6 | G41 A45 | G41-Q43 PolarHBondContact O-N 2.78Å; Q43-A45 PolarHBondContact O-N 2.78Å |
| 44 | P | 57.4 | Low | 53.9 | Low | 117 Ų | 117 | 139.1 Ų | 139.1 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 124.8 | 176.3 | 24.3 | -28.3 | 0 | 0 | 0 | 109.4 | ||
| 45 | A | 62.1 | Low | 54.2 | Low | 93 Ų | 93 | 136.9 Ų | 136.9 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 129.9 | -179 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q43 | Q43-A45 PolarHBondContact O-N 2.78Š|
| 46 | P | 64.9 | Low | 54.6 | Low | 106 Ų | 106 | 135.8 Ų | 135.8 | 69% | 0.688 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 149.5 | 172.7 | 26.9 | -31.3 | 0 | 0 | 0 | 110.1 | T48 | P46-T48 PolarHBondContact O-N 3.4Å; P46-T48 VanDerWaalsContact O-N 3.09Å |
| 47 | P | 61.3 | Low | 55.4 | Low | 118 Ų | 118 | 133.9 Ų | 133.9 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 119.1 | -177.1 | 22.8 | -32.6 | 0 | 0 | 0 | 110.1 | T49 | P47-T49 PolarHBondContact O-N 3.21Š|
| 48 | T | 65.1 | Low | 55.9 | Low | 128 Ų | 128 | 129 Ų | 129 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | trans | -63.3 | 98.7 | 170.5 | 45.6 | 0 | 0 | 0 | 0 | 108.2 | P46 V50 | P46-T48 PolarHBondContact O-N 3.4Å; P46-T48 VanDerWaalsContact O-N 3.09Å; T48-V50 PolarHBondContact O-N 3.34Å; T48-V50 VanDerWaalsContact O-N 3.1Å | ||
| 49 | T | 60.9 | Low | 56.7 | Low | 116 Ų | 116 | 123.3 Ų | 123.3 | 71% | 0.712 | 75% | 0.747 | S | S | * | * | trans | -68.6 | 105.2 | 164.8 | 46.8 | 0 | 0 | 0 | 0 | 107 | P47 I51 | P47-T49 PolarHBondContact O-N 3.21Å; T49-I51 VanDerWaalsContact C-N 3.32Å; T49-I51 PolarHBondContact O-N 3.21Å | ||
| 50 | V | 63.6 | Low | 57.3 | Low | 119 Ų | 119 | 122 Ų | 122 | 72% | 0.721 | 72% | 0.724 | S | S | * | * | trans | -69 | 96.6 | 169.4 | -179.5 | 0 | 0 | 0 | 0 | 106.5 | T48 V52 | T48-V50 PolarHBondContact O-N 3.34Å; T48-V50 VanDerWaalsContact O-N 3.1Å; V50-V52 VanDerWaalsContact C-N 3.3Å; V50-V52 HydrophobicContact CG1-CG2 3.94Å; V50-V52 PolarHBondContact O-N 3.48Å | ||
| 51 | I | 60 | Low | 58.3 | Low | 124 Ų | 124 | 120.1 Ų | 120.1 | 64% | 0.636 | 72% | 0.717 | S | S | * | * | trans | -72.3 | 94.1 | 168.4 | -56.7 | 174.4 | 0 | 0 | 0 | 106.1 | T49 H53 | T49-I51 VanDerWaalsContact C-N 3.32Å; T49-I51 PolarHBondContact O-N 3.21Å; I51-H53 VanDerWaalsContact C-N 3.34Å; I51-H53 PolarHBondContact O-N 2.94Å | ||
| 52 | V | 60.3 | Low | 59.4 | Low | 116 Ų | 116 | 119.7 Ų | 119.7 | 70% | 0.703 | 70% | 0.696 | S | S | * | * | trans | -68.9 | 97.4 | 167.7 | -177.9 | 0 | 0 | 0 | 0 | 106.3 | V50 Q54 | V50-V52 VanDerWaalsContact C-N 3.3Å; V50-V52 HydrophobicContact CG1-CG2 3.94Å; V50-V52 PolarHBondContact O-N 3.48Å; V52-Q54 VanDerWaalsContact C-N 3.26Å; V52-Q54 PolarHBondContact O-N 2.85Å | ||
| 53 | H | 59.7 | Low | 60.7 | Low | 162 Ų | 162 | 112.4 Ų | 112.4 | 75% | 0.75 | 67% | 0.67 | S | S | * | * | trans | -63.1 | 93.3 | 166.4 | -66 | 146.8 | 0 | 0 | 0 | 107.6 | I51 | I51-H53 VanDerWaalsContact C-N 3.34Å; I51-H53 PolarHBondContact O-N 2.94Å | ||
| 54 | Q | 52.5 | Low | 61.4 | Low | 164 Ų | 164 | 106.2 Ų | 106.2 | 77% | 0.766 | 64% | 0.639 | S | S | * | * | trans | -63.3 | 128.3 | 168.4 | -166.7 | 159.9 | 30.3 | 0 | 0 | 106.7 | V52 T56 | V52-Q54 VanDerWaalsContact C-N 3.26Å; V52-Q54 PolarHBondContact O-N 2.85Å; Q54-T56 PolarHBondContact O-N 3.05Å | ||
| 55 | P | 54.7 | Low | 62.3 | Low | 106 Ų | 106 | 106.7 Ų | 106.7 | 69% | 0.688 | 63% | 0.631 | S | S | * | * | trans | -59.4 | 110 | 174 | 23.1 | -31 | 0 | 0 | 0 | 106.6 | V57 | P55-V57 VanDerWaalsContact C-N 3.27Å; P55-V57 PolarHBondContact O-N 2.76Å | ||
| 56 | T | 53.5 | Low | 63 | Low | 120 Ų | 120 | 105.7 Ų | 105.7 | 74% | 0.736 | 62% | 0.617 | S | S | * | * | trans | -57.6 | 101.8 | 168.3 | -55.2 | 0 | 0 | 0 | 0 | 105.3 | Q54 T58 | Q54-T56 PolarHBondContact O-N 3.05Å; T56-T58 PolarHBondContact O-N 2.72Å; T56-T58 PolarHBondContact O-OG1 3.15Å | ||
| 57 | V | 54.9 | Low | 63.8 | Low | 130 Ų | 130 | 102.1 Ų | 102.1 | 79% | 0.788 | 59% | 0.593 | S | S | * | * | trans | -70.2 | 81.8 | 165.3 | -174.6 | 0 | 0 | 0 | 0 | 103.8 | P55 A59 | P55-V57 VanDerWaalsContact C-N 3.27Å; P55-V57 PolarHBondContact O-N 2.76Å; V57-A59 PolarHBondContact O-N 3.09Å | ||
| 58 | T | 56.7 | Low | 64.8 | Low | 103 Ų | 103 | 99.2 Ų | 99.2 | 63% | 0.632 | 59% | 0.585 | S | S | * | * | trans | -64.1 | 93.9 | 171.9 | -39.5 | 0 | 0 | 0 | 0 | 104.5 | T56 T60 | T56-T58 PolarHBondContact O-N 2.72Å; T56-T58 PolarHBondContact O-OG1 3.15Å; T58-T60 PolarHBondContact O-N 3.48Å; T58-T60 PolarHBondContact O-OG1 3.05Å | ||
| 59 | A | 60.3 | Low | 65.5 | Low | 91 Ų | 91 | 93.7 Ų | 93.7 | 75% | 0.752 | 55% | 0.55 | S | S | * | * | trans | -56.2 | 95.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 105.5 | V57 A61 | V57-A59 PolarHBondContact O-N 3.09Å; A59-A61 PolarHBondContact O-N 2.86Å | ||
| 60 | T | 64.3 | Low | 66.7 | Low | 42 Ų | 42 | 92.7 Ų | 92.7 | 26% | 0.258 | 54% | 0.544 | S | S | . | . | trans | -72 | 113 | -173.1 | -18.4 | 0 | 0 | 0 | 0 | 104.2 | T58 Y62 V67 I69 | T58-T60 PolarHBondContact O-N 3.48Å; T58-T60 PolarHBondContact O-OG1 3.05Å; T60-Y62 WeakPolarHBondContact O-CD2 3.48Å; T60-Y62 WeakPolarHBondContact O-CE2 3.16Å; T60-Y62 PolarHBondContact O-N 3.49Å; T60-V67 HydrophobicContact CG2-CB 4.48Å; T60-V67 HydrophobicContact CG2-CG2 4.26Å; T60-I69 HydrophobicContact CG2-CG2 3.68Å | ||
| 61 | A | 66.2 | Low | 67.6 | Low | 86 Ų | 86 | 87 Ų | 87 | 71% | 0.711 | 51% | 0.51 | S | S | * | . | trans | -65.3 | 90.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | A59 H63 | A59-A61 PolarHBondContact O-N 2.86Å; A61-H63 PolarHBondContact O-N 3.45Å | ||
| 62 | Y | 71.3 | Confident | 68.8 | Low | 53 Ų | 53 | 85.1 Ų | 85.1 | 21% | 0.208 | 51% | 0.505 | C | S | . | . | trans | -64 | 128.3 | 174.6 | -65.2 | -71.4 | 0 | 0 | 0 | 107.9 | T60 V67 I69 H121 V130 Y133 | T60-Y62 WeakPolarHBondContact O-CD2 3.48Å; T60-Y62 WeakPolarHBondContact O-CE2 3.16Å; T60-Y62 PolarHBondContact O-N 3.49Å; Y62-V67 HydrophobicContact CD1-CG2 3.77Å; Y62-V67 HydrophobicContact CE1-CG2 3.99Å; Y62-I69 HydrophobicContact CE1-CG2 3.92Å; Y62-H121 HydrophobicContact CD1-CB 3.96Å; Y62-H121 AromaticContact CD1-CD2 3.7Å; Y62-H121 AromaticContact CD1-CG 3.55Å; Y62-H121 AromaticContact CD1-ND1 3.79Å; Y62-H121 HydrophobicContact CE1-CB 4.11Å; Y62-V130 HydrophobicContact CE1-CG2 4.36Å; Y62-V130 PolarHBondContact OH-O 3.01Å; Y62-V130 VanDerWaalsContact OH-O 3.05Å; Y62-Y133 WeakPolarHBondContact O-CD2 3.46Å | ||
| 63 | H | 71.6 | Confident | 70.1 | Confident | 89 Ų | 89 | 84.5 Ų | 84.5 | 41% | 0.412 | 49% | 0.493 | S | S | . | . | trans | -133.6 | -170.7 | -179.5 | -158 | 39.3 | 0 | 0 | 0 | 109.8 | A61 H65 H121 Y133 | A61-H63 PolarHBondContact O-N 3.45Å; H63-H65 PolarHBondContact O-N 3.48Å; H63-H65 VanDerWaalsContact O-N 3.12Å; H63-H121 PolarHBondContact O-CE1 3.01Å; H63-H121 VanDerWaalsContact O-CE1 3.24Å; H63-H121 PolarHBondContact O-NE2 2.97Å; H63-Y133 AromaticContact CE1-CZ 3.87Å; H63-Y133 PolarHBondContact CE1-OH 3.11Å; H63-Y133 AromaticContact ND1-CE1 3.84Å; H63-Y133 AromaticContact ND1-CE2 3.79Å; H63-Y133 AromaticContact ND1-CZ 3.47Å | ||
| 64 | R | 69.3 | Low | 71.4 | Confident | 47 Ų | 47 | 79.1 Ų | 79.1 | 18% | 0.177 | 47% | 0.473 | C | S | . | . | S | Bend | trans | -63.1 | -18.3 | 175.9 | -64.6 | -173.2 | 175.8 | -62.3 | -27 | 113.8 | S115 T116 K117 Y133 P135 | R64-S115 PolarHBondContact NE-O 3.34Å; R64-S115 PolarHBondContact NH2-O 3.14Å; R64-T116 VanDerWaalsContact NH2-CA 3.32Å; R64-K117 VanDerWaalsContact NH1-CG 3.25Å; R64-K117 PolarHBondContact NH1-O 3.42Å; R64-K117 PolarHBondContact NH2-O 2.96Å; R64-Y133 HydrophobicContact CG-CD1 4.39Å; R64-Y133 HydrophobicContact CG-CE1 4.04Å; R64-P135 VanDerWaalsContact NH2-CG 3.26Å |
| 65 | H | 75.6 | Confident | 73 | Confident | 128 Ų | 128 | 78.4 Ų | 78.4 | 59% | 0.593 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -101.2 | 148.3 | -175.2 | -65.6 | -70 | 0 | 0 | 0 | 112 | H63 V67 H121 | H63-H65 PolarHBondContact O-N 3.48Å; H63-H65 VanDerWaalsContact O-N 3.12Å; H65-V67 PolarHBondContact O-N 3.05Å; H65-H121 PolarHBondContact O-CE1 2.86Å |
| 66 | P | 76.6 | Confident | 74.5 | Confident | 72 Ų | 72 | 76.8 Ų | 76.8 | 47% | 0.468 | 46% | 0.455 | S | S | . | . | trans | -63.2 | 128.2 | 177.2 | 29.5 | -36.4 | 0 | 0 | 0 | 110.1 | I79 T80 V82 | P66-I79 HydrophobicContact CB-CG2 3.59Å; P66-I79 HydrophobicContact CG-CG2 4.26Å; P66-T80 WeakPolarHBondContact CB-O 3.08Å; P66-V82 HydrophobicContact CB-CG2 3.93Å | ||
| 67 | V | 80.5 | Confident | 76 | Confident | 30 Ų | 30 | 75.1 Ų | 75.1 | 18% | 0.182 | 45% | 0.449 | C | S | . | . | trans | -107.6 | 146 | 179.2 | -69.1 | 0 | 0 | 0 | 0 | 110.1 | T60 Y62 H65 I69 T80 | T60-V67 HydrophobicContact CG2-CB 4.48Å; T60-V67 HydrophobicContact CG2-CG2 4.26Å; Y62-V67 HydrophobicContact CD1-CG2 3.77Å; Y62-V67 HydrophobicContact CE1-CG2 3.99Å; H65-V67 PolarHBondContact O-N 3.05Å; V67-I69 HydrophobicContact CG2-CG2 3.79Å; V67-I69 PolarHBondContact O-N 2.91Å; V67-T80 PolarHBondContact N-OG1 3.48Å; V67-T80 PolarHBondContact O-N 3.23Å; V67-T80 PolarHBondContact O-OG1 3.12Å | ||
| 68 | G | 83.6 | Confident | 77.3 | Confident | 58 Ų | 58 | 70 Ų | 70 | 60% | 0.598 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 119.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 69 | I | 79.5 | Confident | 78.7 | Confident | 12 Ų | 12 | 70.6 Ų | 70.6 | 6% | 0.062 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 159.6 | 176.6 | 71.5 | 162.1 | 0 | 0 | 0 | 110.3 | T60 Y62 V67 S77 G78 T80 V130 | T60-I69 HydrophobicContact CG2-CG2 3.68Å; Y62-I69 HydrophobicContact CE1-CG2 3.92Å; V67-I69 HydrophobicContact CG2-CG2 3.79Å; V67-I69 PolarHBondContact O-N 2.91Å; I69-S77 WeakPolarHBondContact O-CA 3.24Å; I69-G78 PolarHBondContact N-O 2.98Å; I69-G78 PolarHBondContact O-N 2.83Å; I69-T80 HydrophobicContact CB-CG2 4.29Å; I69-T80 HydrophobicContact CD1-CG2 3.53Å; I69-T80 HydrophobicContact CG1-CG2 3.51Å; I69-T80 HydrophobicContact CG2-CG2 3.85Å; I69-V130 HydrophobicContact CD1-CB 3.44Å; I69-V130 VanDerWaalsContact CD1-CB 3.44Å; I69-V130 HydrophobicContact CD1-CG1 3.61Å; I69-V130 HydrophobicContact CD1-CG2 3.39Å |
| 70 | T | 85.1 | Confident | 79.9 | Confident | 95 Ų | 95 | 66.4 Ų | 66.4 | 58% | 0.583 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 115.5 | 158.8 | -57.7 | 0 | 0 | 0 | 0 | 107.8 | ||
| 71 | C | 84.2 | Confident | 80.8 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 40% | 0.4 | C | S | . | . | trans | -66.4 | 126.4 | -175.8 | -177.7 | 0 | 0 | 0 | 0 | 111 | F73 C74 H75 N76 C123 C126 | C71-F73 PolarHBondContact O-N 2.82Å; C71-F73 PolarHBondContact SG-N 2.87Å; C71-C74 VanDerWaalsContact CB-SG 3.53Å; C71-C74 VanDerWaalsContact SG-SG 3.63Å; C71-H75 WeakPolarHBondContact O-CA 3.43Å; C71-H75 PolarHBondContact O-N 2.91Å; C71-N76 PolarHBondContact N-O 2.86Å; C71-N76 VanDerWaalsContact N-O 3.09Å; C71-C123 HydrophobicContact CB-CB 4.25Å; C71-C123 VanDerWaalsContact SG-SG 3.69Å; C71-C126 VanDerWaalsContact SG-SG 3.66Å | ||
| 72 | P | 83.8 | Confident | 81.7 | Confident | 83 Ų | 83 | 69.1 Ų | 69.1 | 54% | 0.539 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -13.1 | 179.4 | 29.5 | -36.1 | 0 | 0 | 0 | 113.3 | ||
| 73 | F | 87.2 | Confident | 82.1 | Confident | 104 Ų | 104 | 75 Ų | 75 | 46% | 0.456 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -34.6 | -177.2 | -58.7 | -72.2 | 0 | 0 | 0 | 114 | C71 R128 Q129 V130 | C71-F73 PolarHBondContact O-N 2.82Å; C71-F73 PolarHBondContact SG-N 2.87Å; F73-R128 HydrophobicContact CD2-CB 3.87Å; F73-R128 HydrophobicContact CE2-CB 4.22Å; F73-R128 HydrophobicContact CG-CB 4.42Å; F73-Q129 WeakPolarHBondContact CE2-O 3.35Å; F73-V130 HydrophobicContact CD2-CG1 4.45Å |
| 74 | C | 88.8 | Confident | 82.3 | Confident | 49 Ų | 49 | 74.5 Ų | 74.5 | 33% | 0.331 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.8 | -1.2 | -178.3 | 64.1 | 0 | 0 | 0 | 0 | 113.4 | C71 N76 C123 C126 | C71-C74 VanDerWaalsContact CB-SG 3.53Å; C71-C74 VanDerWaalsContact SG-SG 3.63Å; C74-N76 PolarHBondContact O-N 2.9Å; C74-C123 VanDerWaalsContact SG-SG 3.62Å; C74-C126 HydrophobicContact CB-CB 4.08Å |
| 75 | H | 85.9 | Confident | 82.4 | Confident | 148 Ų | 148 | 76.4 Ų | 76.4 | 69% | 0.685 | 41% | 0.409 | S | S | * | . | trans | 58.3 | 6.5 | -176.7 | -58.6 | -83.4 | 0 | 0 | 0 | 115.4 | C71 S77 | C71-H75 WeakPolarHBondContact O-CA 3.43Å; C71-H75 PolarHBondContact O-N 2.91Å; H75-S77 PolarHBondContact O-N 3.34Å | ||
| 76 | N | 85.7 | Confident | 81.9 | Confident | 72 Ų | 72 | 73.5 Ų | 73.5 | 39% | 0.385 | 40% | 0.403 | S | S | . | . | trans | -75.7 | 125.9 | 176.2 | -169.7 | 89 | 0 | 0 | 0 | 110.5 | C71 C74 S125 | C71-N76 PolarHBondContact N-O 2.86Å; C71-N76 VanDerWaalsContact N-O 3.09Å; C74-N76 PolarHBondContact O-N 2.9Å; N76-S125 VanDerWaalsContact CG-OG 3.24Å; N76-S125 PolarHBondContact ND2-OG 3.5Å | ||
| 77 | S | 84.9 | Confident | 81.5 | Confident | 86 Ų | 86 | 72.4 Ų | 72.4 | 60% | 0.601 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 130.4 | 170.7 | 54.4 | 0 | 0 | 0 | 0 | 110.8 | I69 H75 | I69-S77 WeakPolarHBondContact O-CA 3.24Å; H75-S77 PolarHBondContact O-N 3.34Å |
| 78 | G | 83.2 | Confident | 80.9 | Confident | 23 Ų | 23 | 75.5 Ų | 75.5 | 24% | 0.237 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.6 | -179.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | I69 | I69-G78 PolarHBondContact N-O 2.98Å; I69-G78 PolarHBondContact O-N 2.83Å |
| 79 | I | 84.4 | Confident | 80.1 | Confident | 114 Ų | 114 | 77.1 Ų | 77.1 | 59% | 0.585 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86 | 127 | 178.8 | -61.7 | 177.8 | 0 | 0 | 0 | 109.1 | P66 P124 | P66-I79 HydrophobicContact CB-CG2 3.59Å; P66-I79 HydrophobicContact CG-CG2 4.26Å; I79-P124 WeakPolarHBondContact O-CD 3.04Å; I79-P124 WeakPolarHBondContact O-CG 3.19Å |
| 80 | T | 85.6 | Confident | 79.8 | Confident | 3 Ų | 3 | 78.2 Ų | 78.2 | 2% | 0.018 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 144.1 | 178.5 | 59.7 | 0 | 0 | 0 | 0 | 112.3 | P66 V67 I69 H121 F122 V130 | P66-T80 WeakPolarHBondContact CB-O 3.08Å; V67-T80 PolarHBondContact N-OG1 3.48Å; V67-T80 PolarHBondContact O-N 3.23Å; V67-T80 PolarHBondContact O-OG1 3.12Å; I69-T80 HydrophobicContact CB-CG2 4.29Å; I69-T80 HydrophobicContact CD1-CG2 3.53Å; I69-T80 HydrophobicContact CG1-CG2 3.51Å; I69-T80 HydrophobicContact CG2-CG2 3.85Å; T80-H121 HydrophobicContact CG2-CB 4.15Å; T80-H121 PolarHBondContact OG1-ND1 3.44Å; T80-F122 CarbonylContact C-O 3.54Å; T80-F122 VanDerWaalsContact CA-O 3.32Å; T80-F122 WeakPolarHBondContact CA-O 3.34Å; T80-V130 HydrophobicContact CG2-CG2 3.66Å |
| 81 | R | 84 | Confident | 79.3 | Confident | 150 Ų | 150 | 83.8 Ų | 83.8 | 57% | 0.566 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 122.6 | 166.3 | -69.4 | -176.4 | 172.9 | 170.8 | -3.5 | 109.7 | H121 F122 | R81-H121 CarbonylContact O-C 3.56Å; R81-H121 WeakPolarHBondContact O-CA 3.29Å; R81-F122 HydrophobicContact CB-CB 4.36Å; R81-F122 PolarHBondContact N-O 2.98Å; R81-F122 PolarHBondContact O-N 3.49Å |
| 82 | V | 84.1 | Confident | 78.9 | Confident | 36 Ų | 36 | 88.8 Ų | 88.8 | 22% | 0.218 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 123.8 | 177.9 | -173.3 | 0 | 0 | 0 | 0 | 110 | P66 L84 A119 R120 | P66-V82 HydrophobicContact CB-CG2 3.93Å; V82-L84 HydrophobicContact CG1-CD2 3.97Å; V82-L84 HydrophobicContact CG1-CG 4.15Å; V82-A119 HydrophobicContact CG1-CB 3.68Å; V82-R120 CarbonylContact C-O 3.6Å; V82-R120 WeakPolarHBondContact CA-O 3.24Å |
| 83 | R | 80.5 | Confident | 78.4 | Confident | 177 Ų | 177 | 86.9 Ų | 86.9 | 67% | 0.668 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 118.7 | 166.6 | -69 | -70 | -172.1 | 164 | -0.6 | 108.4 | R120 F122 | R83-R120 HydrophobicContact CB-CB 4.4Å; R83-R120 PolarHBondContact N-O 3.39Å; R83-R120 PolarHBondContact O-N 2.87Å; R83-F122 HydrophobicContact CB-CD2 4.4Å; R83-F122 HydrophobicContact CB-CE2 3.88Å; R83-F122 HydrophobicContact CG-CD2 3.95Å; R83-F122 HydrophobicContact CG-CE2 3.68Å |
| 84 | L | 75.7 | Confident | 77.7 | Confident | 77 Ų | 77 | 84.7 Ų | 84.7 | 40% | 0.403 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 116.8 | 177.5 | -61.9 | 159.2 | 0 | 0 | 0 | 107.1 | V82 K117 S118 A119 | V82-L84 HydrophobicContact CG1-CD2 3.97Å; V82-L84 HydrophobicContact CG1-CG 4.15Å; L84-K117 HydrophobicContact CB-CD 3.68Å; L84-K117 HydrophobicContact CB-CG 4Å; L84-K117 HydrophobicContact CD1-CD 4.47Å; L84-K117 VanDerWaalsContact CD1-CE 3.47Å; L84-K117 HydrophobicContact CD2-CD 4.26Å; L84-K117 HydrophobicContact CD2-CG 3.96Å; L84-K117 HydrophobicContact CG-CD 4.31Å; L84-K117 HydrophobicContact CG-CG 4.49Å; L84-S118 WeakPolarHBondContact CA-O 3.3Å; L84-A119 HydrophobicContact CD2-CB 3.84Å |
| 85 | E | 70.9 | Confident | 77.2 | Confident | 87 Ų | 87 | 84.4 Ų | 84.4 | 41% | 0.407 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 107.9 | 175.7 | -73.1 | -179.6 | 162.1 | 0 | 0 | 108.6 | K117 S118 R120 | E85-K117 WeakPolarHBondContact O-CB 3.41Å; E85-S118 PolarHBondContact N-O 3.23Å; E85-S118 PolarHBondContact O-N 2.84Å; E85-R120 IonicContact OE1-CZ 3.45Å; E85-R120 IonicContact OE1-NE 3.22Å; E85-R120 PolarHBondContact OE1-NE 2.85Å; E85-R120 IonicContact OE1-NH2 3.43Å; E85-R120 PolarHBondContact OE1-NH2 3.29Å; E85-R120 IonicContact OE2-CZ 3.13Å; E85-R120 IonicContact OE2-NE 2.72Å; E85-R120 PolarHBondContact OE2-NE 3.34Å; E85-R120 IonicContact OE2-NH2 2.77Å; E85-R120 PolarHBondContact OE2-NH2 3.45Å |
| 86 | S | 66.5 | Low | 76.8 | Confident | 68 Ų | 68 | 81.4 Ų | 81.4 | 48% | 0.476 | 44% | 0.442 | S | S | . | . | trans | -79.4 | 121.8 | 170.7 | -56.3 | 0 | 0 | 0 | 0 | 108.2 | D114 | S86-D114 PolarHBondContact OG-OD1 2.88Š| ||
| 87 | G | 66.8 | Low | 76.4 | Confident | 49 Ų | 49 | 79.5 Ų | 79.5 | 51% | 0.505 | 43% | 0.431 | S | S | . | . | trans | -69.3 | -177.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | L89 P90 | G87-L89 PolarHBondContact O-N 3.32Å; G87-L89 VanDerWaalsContact O-N 3.11Å; G87-P90 WeakPolarHBondContact O-CD 3.48Å | ||
| 88 | C | 68 | Low | 75.8 | Confident | 95 Ų | 95 | 79.3 Ų | 79.3 | 64% | 0.642 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -67.8 | -5.4 | 174.1 | -57.2 | 0 | 0 | 0 | 0 | 113.5 | W91 L92 | C88-W91 WeakPolarHBondContact O-CB 3.46Å; C88-W91 PolarHBondContact O-N 3.24Å; C88-L92 WeakPolarHBondContact O-CG 3.34Å; C88-L92 PolarHBondContact O-N 3.39Å |
| 89 | L | 68.3 | Low | 75.5 | Confident | 92 Ų | 92 | 86.7 Ų | 86.7 | 48% | 0.482 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61 | -46.3 | -172.7 | -166.2 | 71.7 | 0 | 0 | 0 | 113.7 | G87 W91 L92 L93 | G87-L89 PolarHBondContact O-N 3.32Å; G87-L89 VanDerWaalsContact O-N 3.11Å; L89-W91 PolarHBondContact O-N 2.92Å; L89-L92 PolarHBondContact O-N 3.32Å; L89-L93 HydrophobicContact CG-CD1 4.29Å; L89-L93 WeakPolarHBondContact O-CB 3.37Å; L89-L93 VanDerWaalsContact O-CG 3.32Å; L89-L93 WeakPolarHBondContact O-CG 3.38Å; L89-L93 PolarHBondContact O-N 2.82Å |
| 90 | P | 72.2 | Confident | 74.9 | Confident | 35 Ų | 35 | 88.8 Ų | 88.8 | 23% | 0.227 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -63.6 | -33.8 | 176.6 | -20.2 | 34.6 | 0 | 0 | 0 | 112 | G87 C94 | G87-P90 WeakPolarHBondContact O-CD 3.48Å; P90-C94 WeakPolarHBondContact O-CB 3.45Å; P90-C94 PolarHBondContact O-N 3.22Å |
| 91 | W | 75.5 | Confident | 74.1 | Confident | 211 Ų | 211 | 91 Ų | 91 | 80% | 0.799 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.8 | -45.4 | 174.6 | -73.3 | 92.6 | 0 | 0 | 0 | 111.9 | C88 L89 C94 G95 | C88-W91 WeakPolarHBondContact O-CB 3.46Å; C88-W91 PolarHBondContact O-N 3.24Å; L89-W91 PolarHBondContact O-N 2.92Å; W91-C94 PolarHBondContact O-N 3.29Å; W91-G95 PolarHBondContact O-N 3.37Å |
| 92 | L | 75.2 | Confident | 73.1 | Confident | 106 Ų | 106 | 89.9 Ų | 89.9 | 56% | 0.555 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.8 | -45.8 | 176.1 | -71.8 | 176.8 | 0 | 0 | 0 | 111.5 | C88 L89 C94 G95 I96 | C88-L92 WeakPolarHBondContact O-CG 3.34Å; C88-L92 PolarHBondContact O-N 3.39Å; L89-L92 PolarHBondContact O-N 3.32Å; L92-C94 PolarHBondContact O-N 3.1Å; L92-G95 PolarHBondContact O-N 2.77Å; L92-I96 VanDerWaalsContact O-CG1 3.24Å; L92-I96 WeakPolarHBondContact O-CG1 3.1Å; L92-I96 PolarHBondContact O-N 3.43Å |
| 93 | L | 73.9 | Confident | 72.1 | Confident | 42 Ų | 42 | 97 Ų | 97 | 22% | 0.22 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 177 | -69.6 | 175.8 | 0 | 0 | 0 | 111.1 | L89 G95 I96 L97 P110 L113 | L89-L93 HydrophobicContact CG-CD1 4.29Å; L89-L93 WeakPolarHBondContact O-CB 3.37Å; L89-L93 VanDerWaalsContact O-CG 3.32Å; L89-L93 WeakPolarHBondContact O-CG 3.38Å; L89-L93 PolarHBondContact O-N 2.82Å; L93-G95 VanDerWaalsContact C-N 3.33Å; L93-G95 PolarHBondContact O-N 2.72Å; L93-I96 PolarHBondContact O-N 2.81Å; L93-L97 WeakPolarHBondContact O-CB 3.32Å; L93-L97 WeakPolarHBondContact O-CD1 3.16Å; L93-L97 PolarHBondContact O-N 3.42Å; L93-P110 HydrophobicContact CB-CB 3.8Å; L93-P110 HydrophobicContact CD1-CB 4.28Å; L93-L113 HydrophobicContact CD1-CD1 3.31Å |
| 94 | C | 71.5 | Confident | 71.1 | Confident | 58 Ų | 58 | 98.7 Ų | 98.7 | 39% | 0.392 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -56.7 | -47.4 | 172.4 | -173.6 | 0 | 0 | 0 | 0 | 111.2 | P90 W91 L92 I96 L97 C98 | P90-C94 WeakPolarHBondContact O-CB 3.45Å; P90-C94 PolarHBondContact O-N 3.22Å; W91-C94 PolarHBondContact O-N 3.29Å; L92-C94 PolarHBondContact O-N 3.1Å; C94-I96 PolarHBondContact O-N 2.83Å; C94-L97 PolarHBondContact O-N 3.24Å; C94-C98 WeakPolarHBondContact O-CB 3.46Å; C94-C98 PolarHBondContact O-N 3.07Å; C94-C98 PolarHBondContact O-SG 3.25Å |
| 95 | G | 78.2 | Confident | 70.4 | Confident | 44 Ų | 44 | 97.2 Ų | 97.2 | 45% | 0.454 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60 | -43.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | W91 L92 L93 C98 F99 | W91-G95 PolarHBondContact O-N 3.37Å; L92-G95 PolarHBondContact O-N 2.77Å; L93-G95 VanDerWaalsContact C-N 3.33Å; L93-G95 PolarHBondContact O-N 2.72Å; G95-C98 PolarHBondContact O-N 2.93Å; G95-F99 PolarHBondContact O-N 3.33Å |
| 96 | I | 78.1 | Confident | 69.8 | Low | 85 Ų | 85 | 93.9 Ų | 93.9 | 44% | 0.436 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.2 | -49.2 | 176.6 | -68.5 | 164.1 | 0 | 0 | 0 | 110.1 | L92 L93 C94 C98 F99 F100 | L92-I96 VanDerWaalsContact O-CG1 3.24Å; L92-I96 WeakPolarHBondContact O-CG1 3.1Å; L92-I96 PolarHBondContact O-N 3.43Å; L93-I96 PolarHBondContact O-N 2.81Å; C94-I96 PolarHBondContact O-N 2.83Å; I96-C98 VanDerWaalsContact C-N 3.31Å; I96-C98 PolarHBondContact O-N 2.63Å; I96-F99 WeakPolarHBondContact O-CB 3.46Å; I96-F99 PolarHBondContact O-N 3.19Å; I96-F100 HydrophobicContact CG2-CD2 3.81Å; I96-F100 HydrophobicContact CG2-CE2 3.93Å; I96-F100 VanDerWaalsContact O-CD2 3.29Å; I96-F100 WeakPolarHBondContact O-CD2 2.95Å; I96-F100 PolarHBondContact O-N 2.88Å; I96-F100 VanDerWaalsContact O-N 3.08Å |
| 97 | L | 76.7 | Confident | 69.2 | Low | 31 Ų | 31 | 93.9 Ų | 93.9 | 16% | 0.162 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -61.7 | -39.3 | -179.9 | -90 | 66.3 | 0 | 0 | 0 | 112 | L93 C94 F99 F100 C106 P110 | L93-L97 WeakPolarHBondContact O-CB 3.32Å; L93-L97 WeakPolarHBondContact O-CD1 3.16Å; L93-L97 PolarHBondContact O-N 3.42Å; C94-L97 PolarHBondContact O-N 3.24Å; L97-F99 VanDerWaalsContact C-N 3.3Å; L97-F99 PolarHBondContact O-N 2.76Å; L97-F100 PolarHBondContact O-N 3.11Å; L97-C106 VanDerWaalsContact CD2-C 3.47Å; L97-C106 HydrophobicContact CD2-CB 4.09Å; L97-C106 WeakPolarHBondContact CD2-O 3.43Å; L97-C106 VanDerWaalsContact CD2-SG 3.53Å; L97-P110 HydrophobicContact CD2-CG 4.15Å |
| 98 | C | 73.2 | Confident | 68.7 | Low | 82 Ų | 82 | 97.6 Ų | 97.6 | 55% | 0.554 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.6 | -38.1 | 172.2 | -74.2 | 0 | 0 | 0 | 0 | 112 | C94 G95 I96 | C94-C98 WeakPolarHBondContact O-CB 3.46Å; C94-C98 PolarHBondContact O-N 3.07Å; C94-C98 PolarHBondContact O-SG 3.25Å; G95-C98 PolarHBondContact O-N 2.93Å; I96-C98 VanDerWaalsContact C-N 3.31Å; I96-C98 PolarHBondContact O-N 2.63Å |
| 99 | F | 75.9 | Confident | 68.4 | Low | 179 Ų | 179 | 98.1 Ų | 98.1 | 79% | 0.785 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -70.1 | -33.9 | -179.8 | -161.3 | -96.7 | 0 | 0 | 0 | 113 | G95 I96 L97 G101 | G95-F99 PolarHBondContact O-N 3.33Å; I96-F99 WeakPolarHBondContact O-CB 3.46Å; I96-F99 PolarHBondContact O-N 3.19Å; L97-F99 VanDerWaalsContact C-N 3.3Å; L97-F99 PolarHBondContact O-N 2.76Å; F99-G101 VanDerWaalsContact C-N 3.32Å; F99-G101 PolarHBondContact O-N 3.16Å |
| 100 | F | 72.9 | Confident | 67.9 | Low | 158 Ų | 158 | 94.2 Ų | 94.2 | 69% | 0.693 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | 11.8 | -178.9 | -76.2 | -80.3 | 0 | 0 | 0 | 114.6 | I96 L97 F102 | I96-F100 HydrophobicContact CG2-CD2 3.81Å; I96-F100 HydrophobicContact CG2-CE2 3.93Å; I96-F100 VanDerWaalsContact O-CD2 3.29Å; I96-F100 WeakPolarHBondContact O-CD2 2.95Å; I96-F100 PolarHBondContact O-N 2.88Å; I96-F100 VanDerWaalsContact O-N 3.08Å; L97-F100 PolarHBondContact O-N 3.11Å; F100-F102 VanDerWaalsContact C-N 3.34Å; F100-F102 PolarHBondContact O-N 3.42Å |
| 101 | G | 68.2 | Low | 67.2 | Low | 50 Ų | 50 | 100.6 Ų | 100.6 | 52% | 0.515 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 19.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | F99 F103 | F99-G101 VanDerWaalsContact C-N 3.32Å; F99-G101 PolarHBondContact O-N 3.16Å; G101-F103 PolarHBondContact O-N 3.33Å; G101-F103 VanDerWaalsContact O-N 3.11Å |
| 102 | F | 63.2 | Low | 66.3 | Low | 126 Ų | 126 | 94.7 Ų | 94.7 | 55% | 0.553 | 51% | 0.51 | S | S | * | . | trans | -94.5 | 65.9 | -167.6 | -150.3 | -71.7 | 0 | 0 | 0 | 111.5 | F100 F104 C106 | F100-F102 VanDerWaalsContact C-N 3.34Å; F100-F102 PolarHBondContact O-N 3.42Å; F102-F104 VanDerWaalsContact C-N 3.28Å; F102-F104 PolarHBondContact O-N 3.02Å; F102-C106 WeakPolarHBondContact CB-SG 3.44Å; F102-C106 HydrophobicContact CD1-CB 3.32Å; F102-C106 WeakPolarHBondContact CD1-SG 3.44Å; F102-C106 HydrophobicContact CE1-CB 3.59Å; F102-C106 HydrophobicContact CG-CB 4.04Å; F102-C106 WeakPolarHBondContact CG-SG 3.38Å; F102-C106 PolarHBondContact O-SG 3.47Å; F102-C106 VanDerWaalsContact O-SG 3.36Å | ||
| 103 | F | 62.4 | Low | 65.3 | Low | 185 Ų | 185 | 92.9 Ų | 92.9 | 81% | 0.811 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -13.9 | -174.5 | -87.5 | -93.5 | 0 | 0 | 0 | 115.3 | G101 | G101-F103 PolarHBondContact O-N 3.33Å; G101-F103 VanDerWaalsContact O-N 3.11Å |
| 104 | F | 60.1 | Low | 64.6 | Low | 213 Ų | 213 | 93.5 Ų | 93.5 | 93% | 0.934 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.3 | 13 | -166.7 | -97.6 | -86.5 | 0 | 0 | 0 | 116.4 | F102 | F102-F104 VanDerWaalsContact C-N 3.28Å; F102-F104 PolarHBondContact O-N 3.02Å |
| 105 | G | 60.3 | Low | 63.8 | Low | 46 Ų | 46 | 94.7 Ų | 94.7 | 47% | 0.474 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 153.7 | -5.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | C107 | G105-C107 VanDerWaalsContact C-N 3.35Å; G105-C107 PolarHBondContact O-N 3.46Å |
| 106 | C | 58.6 | Low | 62.8 | Low | 17 Ų | 17 | 95.7 Ų | 95.7 | 12% | 0.115 | 51% | 0.511 | C | S | . | . | G | 310 helix | trans | -80.7 | -13.3 | -178.1 | 69.4 | 0 | 0 | 0 | 0 | 113.9 | L97 F102 L108 I109 | L97-C106 VanDerWaalsContact CD2-C 3.47Å; L97-C106 HydrophobicContact CD2-CB 4.09Å; L97-C106 WeakPolarHBondContact CD2-O 3.43Å; L97-C106 VanDerWaalsContact CD2-SG 3.53Å; F102-C106 WeakPolarHBondContact CB-SG 3.44Å; F102-C106 HydrophobicContact CD1-CB 3.32Å; F102-C106 WeakPolarHBondContact CD1-SG 3.44Å; F102-C106 HydrophobicContact CE1-CB 3.59Å; F102-C106 HydrophobicContact CG-CB 4.04Å; F102-C106 WeakPolarHBondContact CG-SG 3.38Å; F102-C106 PolarHBondContact O-SG 3.47Å; F102-C106 VanDerWaalsContact O-SG 3.36Å; C106-L108 PolarHBondContact O-N 3.44Å; C106-I109 HydrophobicContact CB-CD1 4.22Å; C106-I109 WeakPolarHBondContact O-CB 3.29Å; C106-I109 WeakPolarHBondContact O-CG1 3.44Å; C106-I109 PolarHBondContact O-N 3.1Å |
| 107 | C | 55.1 | Low | 62.2 | Low | 67 Ų | 67 | 93.7 Ų | 93.7 | 45% | 0.453 | 50% | 0.499 | S | S | . | . | G | 310 helix | trans | -62.4 | -10.5 | 177.6 | -58.8 | 0 | 0 | 0 | 0 | 113.7 | G105 P110 | G105-C107 VanDerWaalsContact C-N 3.35Å; G105-C107 PolarHBondContact O-N 3.46Å; C107-P110 WeakPolarHBondContact O-CD 3.47Å; C107-P110 VanDerWaalsContact O-CG 3.26Å; C107-P110 WeakPolarHBondContact O-CG 3.47Å |
| 108 | L | 56.1 | Low | 62 | Low | 127 Ų | 127 | 93.3 Ų | 93.3 | 67% | 0.665 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -77.8 | -22.8 | 171.2 | -102.1 | 102.3 | 0 | 0 | 0 | 113.9 | C106 F111 C112 | C106-L108 PolarHBondContact O-N 3.44Å; L108-F111 VanDerWaalsContact O-CB 3.3Å; L108-F111 WeakPolarHBondContact O-CB 3.37Å; L108-F111 PolarHBondContact O-N 2.77Å; L108-F111 VanDerWaalsContact O-N 3.07Å; L108-C112 PolarHBondContact O-N 3.16Å |
| 109 | I | 61.4 | Low | 62.2 | Low | 106 Ų | 106 | 89.4 Ų | 89.4 | 54% | 0.544 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.1 | -45.9 | 179.9 | -57.6 | 177.4 | 0 | 0 | 0 | 112.5 | C106 F111 C112 L113 | C106-I109 HydrophobicContact CB-CD1 4.22Å; C106-I109 WeakPolarHBondContact O-CB 3.29Å; C106-I109 WeakPolarHBondContact O-CG1 3.44Å; C106-I109 PolarHBondContact O-N 3.1Å; I109-F111 PolarHBondContact O-N 3.2Å; I109-F111 VanDerWaalsContact O-N 3.14Å; I109-C112 PolarHBondContact O-N 3.32Å; I109-C112 VanDerWaalsContact O-N 3.11Å; I109-L113 PolarHBondContact O-N 2.99Å |
| 110 | P | 57.8 | Low | 62.6 | Low | 11 Ų | 11 | 84.8 Ų | 84.8 | 7% | 0.071 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -64 | -17.4 | 175.7 | 23.9 | -34.3 | 0 | 0 | 0 | 113.5 | L93 L97 C107 | L93-P110 HydrophobicContact CB-CB 3.8Å; L93-P110 HydrophobicContact CD1-CB 4.28Å; L97-P110 HydrophobicContact CD2-CG 4.15Å; C107-P110 WeakPolarHBondContact O-CD 3.47Å; C107-P110 VanDerWaalsContact O-CG 3.26Å; C107-P110 WeakPolarHBondContact O-CG 3.47Å |
| 111 | F | 56.7 | Low | 63.2 | Low | 168 Ų | 168 | 77.2 Ų | 77.2 | 74% | 0.737 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -81.5 | -29.2 | 175.2 | -130.6 | -94.9 | 0 | 0 | 0 | 112.6 | L108 I109 L113 D114 | L108-F111 VanDerWaalsContact O-CB 3.3Å; L108-F111 WeakPolarHBondContact O-CB 3.37Å; L108-F111 PolarHBondContact O-N 2.77Å; L108-F111 VanDerWaalsContact O-N 3.07Å; I109-F111 PolarHBondContact O-N 3.2Å; I109-F111 VanDerWaalsContact O-N 3.14Å; F111-L113 VanDerWaalsContact C-N 3.31Å; F111-D114 WeakPolarHBondContact O-CB 3.35Å; F111-D114 PolarHBondContact O-N 3.11Å |
| 112 | C | 57.6 | Low | 64.2 | Low | 88 Ų | 88 | 77.3 Ų | 77.3 | 60% | 0.595 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -72.1 | -25.3 | 173.8 | -66.6 | 0 | 0 | 0 | 0 | 113 | L108 I109 D114 S115 | L108-C112 PolarHBondContact O-N 3.16Å; I109-C112 PolarHBondContact O-N 3.32Å; I109-C112 VanDerWaalsContact O-N 3.11Å; C112-D114 PolarHBondContact O-N 3.18Å; C112-S115 PolarHBondContact O-N 2.91Å; C112-S115 PolarHBondContact O-OG 2.91Å |
| 113 | L | 54.5 | Low | 65.3 | Low | 67 Ų | 67 | 71.4 Ų | 71.4 | 35% | 0.351 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -79.9 | 4.7 | 177.6 | -67.6 | 168.6 | 0 | 0 | 0 | 113.7 | L93 I109 F111 S115 T116 | L93-L113 HydrophobicContact CD1-CD1 3.31Å; I109-L113 PolarHBondContact O-N 2.99Å; F111-L113 VanDerWaalsContact C-N 3.31Å; L113-S115 PolarHBondContact O-N 2.89Å; L113-S115 VanDerWaalsContact O-N 3.1Å; L113-T116 PolarHBondContact O-N 3.07Å; L113-T116 VanDerWaalsContact O-N 3.07Å; L113-T116 PolarHBondContact O-OG1 3.25Å |
| 114 | D | 57.4 | Low | 66.5 | Low | 55 Ų | 55 | 64.8 Ų | 64.8 | 29% | 0.294 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -64.4 | -11 | 166.1 | -148.4 | 35.6 | 0 | 0 | 0 | 111.5 | S86 F111 C112 T116 K117 | S86-D114 PolarHBondContact OG-OD1 2.88Å; F111-D114 WeakPolarHBondContact O-CB 3.35Å; F111-D114 PolarHBondContact O-N 3.11Å; C112-D114 PolarHBondContact O-N 3.18Å; D114-T116 PolarHBondContact O-N 3.11Å; D114-K117 WeakPolarHBondContact O-CD 3.48Å; D114-K117 VanDerWaalsContact O-CG 3.29Å; D114-K117 WeakPolarHBondContact O-CG 3.32Å; D114-K117 PolarHBondContact O-N 3.19Å; D114-K117 WeakPolarHBondContact OD1-CD 3.12Å; D114-K117 IonicContact OD1-NZ 2.77Å; D114-K117 IonicContact OD2-NZ 3.84Å; D114-K117 PolarHBondContact OD2-NZ 3.5Å |
| 115 | S | 55.9 | Low | 67.8 | Low | 83 Ų | 83 | 57.7 Ų | 57.7 | 58% | 0.58 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -71.3 | 4.9 | 168.2 | -54.2 | 0 | 0 | 0 | 0 | 114.6 | R64 C112 L113 | R64-S115 PolarHBondContact NE-O 3.34Å; R64-S115 PolarHBondContact NH2-O 3.14Å; C112-S115 PolarHBondContact O-N 2.91Å; C112-S115 PolarHBondContact O-OG 2.91Å; L113-S115 PolarHBondContact O-N 2.89Å; L113-S115 VanDerWaalsContact O-N 3.1Å |
| 116 | T | 57.5 | Low | 69.2 | Low | 65 Ų | 65 | 57.5 Ų | 57.5 | 40% | 0.399 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -118.1 | 7.4 | 171.8 | 65.8 | 0 | 0 | 0 | 0 | 114.3 | R64 L113 D114 P135 | R64-T116 VanDerWaalsContact NH2-CA 3.32Å; L113-T116 PolarHBondContact O-N 3.07Å; L113-T116 VanDerWaalsContact O-N 3.07Å; L113-T116 PolarHBondContact O-OG1 3.25Å; D114-T116 PolarHBondContact O-N 3.11Å; T116-P135 VanDerWaalsContact CA-CG 3.49Å; T116-P135 WeakPolarHBondContact O-CG 3.42Å |
| 117 | K | 65.4 | Low | 70.5 | Confident | 43 Ų | 43 | 61.2 Ų | 61.2 | 19% | 0.187 | 34% | 0.339 | C | S | . | . | trans | -65.5 | 142.7 | 176.9 | 66.6 | -161.2 | 175.5 | -173.8 | 0 | 112 | R64 L84 E85 D114 | R64-K117 VanDerWaalsContact NH1-CG 3.25Å; R64-K117 PolarHBondContact NH1-O 3.42Å; R64-K117 PolarHBondContact NH2-O 2.96Å; L84-K117 HydrophobicContact CB-CD 3.68Å; L84-K117 HydrophobicContact CB-CG 4Å; L84-K117 HydrophobicContact CD1-CD 4.47Å; L84-K117 VanDerWaalsContact CD1-CE 3.47Å; L84-K117 HydrophobicContact CD2-CD 4.26Å; L84-K117 HydrophobicContact CD2-CG 3.96Å; L84-K117 HydrophobicContact CG-CD 4.31Å; L84-K117 HydrophobicContact CG-CG 4.49Å; E85-K117 WeakPolarHBondContact O-CB 3.41Å; D114-K117 WeakPolarHBondContact O-CD 3.48Å; D114-K117 VanDerWaalsContact O-CG 3.29Å; D114-K117 WeakPolarHBondContact O-CG 3.32Å; D114-K117 PolarHBondContact O-N 3.19Å; D114-K117 WeakPolarHBondContact OD1-CD 3.12Å; D114-K117 IonicContact OD1-NZ 2.77Å; D114-K117 IonicContact OD2-NZ 3.84Å; D114-K117 PolarHBondContact OD2-NZ 3.5Å | ||
| 118 | S | 71.1 | Confident | 72 | Confident | 24 Ų | 24 | 64.7 Ų | 64.7 | 17% | 0.168 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 137.3 | 176.9 | -67.4 | 0 | 0 | 0 | 0 | 109.9 | L84 E85 Y132 Y133 | L84-S118 WeakPolarHBondContact CA-O 3.3Å; E85-S118 PolarHBondContact N-O 3.23Å; E85-S118 PolarHBondContact O-N 2.84Å; S118-Y132 WeakPolarHBondContact CB-OH 3.4Å; S118-Y132 PolarHBondContact OG-OH 3.21Å; S118-Y133 CarbonylContact C-O 3.59Å; S118-Y133 WeakPolarHBondContact CA-O 3.31Å |
| 119 | A | 78.3 | Confident | 73.5 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 117.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | V82 L84 Y133 | V82-A119 HydrophobicContact CG1-CB 3.68Å; L84-A119 HydrophobicContact CD2-CB 3.84Å; A119-Y133 HydrophobicContact CB-CD1 4.31Å; A119-Y133 PolarHBondContact N-O 3.3Å; A119-Y133 PolarHBondContact O-N 3.36Å |
| 120 | R | 84.8 | Confident | 74.6 | Confident | 81 Ų | 81 | 58.4 Ų | 58.4 | 31% | 0.306 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 124.4 | 170.7 | -64.6 | -171.9 | -171.9 | -147.2 | 13.5 | 109.5 | V82 R83 E85 F122 Y132 | V82-R120 CarbonylContact C-O 3.6Å; V82-R120 WeakPolarHBondContact CA-O 3.24Å; R83-R120 HydrophobicContact CB-CB 4.4Å; R83-R120 PolarHBondContact N-O 3.39Å; R83-R120 PolarHBondContact O-N 2.87Å; E85-R120 IonicContact OE1-CZ 3.45Å; E85-R120 IonicContact OE1-NE 3.22Å; E85-R120 PolarHBondContact OE1-NE 2.85Å; E85-R120 IonicContact OE1-NH2 3.43Å; E85-R120 PolarHBondContact OE1-NH2 3.29Å; E85-R120 IonicContact OE2-CZ 3.13Å; E85-R120 IonicContact OE2-NE 2.72Å; E85-R120 PolarHBondContact OE2-NE 3.34Å; E85-R120 IonicContact OE2-NH2 2.77Å; E85-R120 PolarHBondContact OE2-NH2 3.45Å; R120-F122 HydrophobicContact CB-CD2 4.34Å; R120-F122 HydrophobicContact CB-CE2 3.52Å; R120-F122 HydrophobicContact CB-CZ 4.02Å; R120-Y132 HydrophobicContact CG-CD2 3.93Å; R120-Y132 HydrophobicContact CG-CE2 4.25Å |
| 121 | H | 85.8 | Confident | 75.6 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 129.2 | 177.4 | -66.7 | -105.9 | 0 | 0 | 0 | 110.1 | Y62 H63 H65 T80 R81 Q129 V130 G131 | Y62-H121 HydrophobicContact CD1-CB 3.96Å; Y62-H121 AromaticContact CD1-CD2 3.7Å; Y62-H121 AromaticContact CD1-CG 3.55Å; Y62-H121 AromaticContact CD1-ND1 3.79Å; Y62-H121 HydrophobicContact CE1-CB 4.11Å; H63-H121 PolarHBondContact O-CE1 3.01Å; H63-H121 VanDerWaalsContact O-CE1 3.24Å; H63-H121 PolarHBondContact O-NE2 2.97Å; H65-H121 PolarHBondContact O-CE1 2.86Å; T80-H121 HydrophobicContact CG2-CB 4.15Å; T80-H121 PolarHBondContact OG1-ND1 3.44Å; R81-H121 CarbonylContact O-C 3.56Å; R81-H121 WeakPolarHBondContact O-CA 3.29Å; H121-Q129 CarbonylContact O-C 3.58Å; H121-Q129 WeakPolarHBondContact O-CA 3.39Å; H121-V130 HydrophobicContact CB-CG2 3.77Å; H121-V130 VanDerWaalsContact O-CG2 3.24Å; H121-V130 WeakPolarHBondContact O-CG2 3.11Å; H121-V130 PolarHBondContact O-N 3.08Å; H121-G131 PolarHBondContact N-O 2.89Å; H121-G131 PolarHBondContact O-N 3.38Å |
| 122 | F | 87.9 | Confident | 76.8 | Confident | 52 Ų | 52 | 55.7 Ų | 55.7 | 23% | 0.228 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 143.1 | 177.6 | -63.3 | -90.5 | 0 | 0 | 0 | 111.2 | T80 R81 R83 R120 N127 R128 Q129 | T80-F122 CarbonylContact C-O 3.54Å; T80-F122 VanDerWaalsContact CA-O 3.32Å; T80-F122 WeakPolarHBondContact CA-O 3.34Å; R81-F122 HydrophobicContact CB-CB 4.36Å; R81-F122 PolarHBondContact N-O 2.98Å; R81-F122 PolarHBondContact O-N 3.49Å; R83-F122 HydrophobicContact CB-CD2 4.4Å; R83-F122 HydrophobicContact CB-CE2 3.88Å; R83-F122 HydrophobicContact CG-CD2 3.95Å; R83-F122 HydrophobicContact CG-CE2 3.68Å; R120-F122 HydrophobicContact CB-CD2 4.34Å; R120-F122 HydrophobicContact CB-CE2 3.52Å; R120-F122 HydrophobicContact CB-CZ 4.02Å; F122-N127 WeakPolarHBondContact CD1-O 3.26Å; F122-R128 CarbonylContact C-O 3.52Å; F122-R128 WeakPolarHBondContact CA-O 3.07Å; F122-Q129 HydrophobicContact CD1-CB 4.16Å; F122-Q129 HydrophobicContact CE1-CB 3.97Å |
| 123 | C | 87.9 | Confident | 77.9 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.007 | 28% | 0.279 | C | S | . | . | trans | -70 | 132.2 | 172.4 | 177.7 | 0 | 0 | 0 | 0 | 110.5 | C71 C74 S125 C126 N127 R128 V130 | C71-C123 HydrophobicContact CB-CB 4.25Å; C71-C123 VanDerWaalsContact SG-SG 3.69Å; C74-C123 VanDerWaalsContact SG-SG 3.62Å; C123-S125 VanDerWaalsContact C-N 3.27Å; C123-S125 PolarHBondContact O-N 3.03Å; C123-S125 PolarHBondContact SG-N 3.05Å; C123-C126 WeakPolarHBondContact CB-SG 3.39Å; C123-N127 WeakPolarHBondContact O-CA 3.35Å; C123-N127 PolarHBondContact O-N 3.31Å; C123-R128 PolarHBondContact N-O 3.44Å; C123-V130 HydrophobicContact CB-CG1 3.96Å | ||
| 124 | P | 86.1 | Confident | 78.9 | Confident | 46 Ų | 46 | 54 Ų | 54 | 30% | 0.299 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -25.1 | 179.4 | 27.8 | -35.8 | 0 | 0 | 0 | 113.7 | I79 | I79-P124 WeakPolarHBondContact O-CD 3.04Å; I79-P124 WeakPolarHBondContact O-CG 3.19Å |
| 125 | S | 88.2 | Confident | 79.4 | Confident | 65 Ų | 65 | 52.8 Ų | 52.8 | 46% | 0.455 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -45.8 | -175.2 | -45 | 0 | 0 | 0 | 0 | 112.6 | N76 C123 | N76-S125 VanDerWaalsContact CG-OG 3.24Å; N76-S125 PolarHBondContact ND2-OG 3.5Å; C123-S125 VanDerWaalsContact C-N 3.27Å; C123-S125 PolarHBondContact O-N 3.03Å; C123-S125 PolarHBondContact SG-N 3.05Å |
| 126 | C | 88.9 | Confident | 79.5 | Confident | 41 Ų | 41 | 60.3 Ų | 60.3 | 28% | 0.277 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -5.2 | -178.3 | 68.8 | 0 | 0 | 0 | 0 | 114 | C71 C74 C123 R128 | C71-C126 VanDerWaalsContact SG-SG 3.66Å; C74-C126 HydrophobicContact CB-CB 4.08Å; C123-C126 WeakPolarHBondContact CB-SG 3.39Å; C126-R128 HydrophobicContact CB-CG 4.48Å; C126-R128 PolarHBondContact O-N 3.43Å |
| 127 | N | 86.3 | Confident | 80.6 | Confident | 95 Ų | 95 | 60.1 Ų | 60.1 | 51% | 0.508 | 31% | 0.305 | S | S | . | . | trans | 53.8 | 15.3 | -175.1 | -66.1 | -62.4 | 0 | 0 | 0 | 115 | F122 C123 | F122-N127 WeakPolarHBondContact CD1-O 3.26Å; C123-N127 WeakPolarHBondContact O-CA 3.35Å; C123-N127 PolarHBondContact O-N 3.31Å | ||
| 128 | R | 85.9 | Confident | 81.4 | Confident | 141 Ų | 141 | 61 Ų | 61 | 53% | 0.532 | 31% | 0.311 | S | S | . | . | trans | -77.8 | 146.5 | 173.5 | -68.3 | -176.7 | -179.5 | -172.9 | 2 | 110.9 | F73 F122 C123 C126 V130 | F73-R128 HydrophobicContact CD2-CB 3.87Å; F73-R128 HydrophobicContact CE2-CB 4.22Å; F73-R128 HydrophobicContact CG-CB 4.42Å; F122-R128 CarbonylContact C-O 3.52Å; F122-R128 WeakPolarHBondContact CA-O 3.07Å; C123-R128 PolarHBondContact N-O 3.44Å; C126-R128 HydrophobicContact CB-CG 4.48Å; C126-R128 PolarHBondContact O-N 3.43Å; R128-V130 PolarHBondContact O-N 3.48Å | ||
| 129 | Q | 87.5 | Confident | 82 | Confident | 77 Ų | 77 | 63.1 Ų | 63.1 | 36% | 0.36 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 126.9 | 173.3 | -174.8 | 175.5 | -17.1 | 0 | 0 | 109.3 | F73 H121 F122 | F73-Q129 WeakPolarHBondContact CE2-O 3.35Å; H121-Q129 CarbonylContact O-C 3.58Å; H121-Q129 WeakPolarHBondContact O-CA 3.39Å; F122-Q129 HydrophobicContact CD1-CB 4.16Å; F122-Q129 HydrophobicContact CE1-CB 3.97Å |
| 130 | V | 85 | Confident | 82.2 | Confident | 23 Ų | 23 | 66.8 Ų | 66.8 | 14% | 0.139 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | -24.2 | -175.6 | -71.4 | 0 | 0 | 0 | 0 | 112.1 | Y62 I69 F73 T80 H121 C123 R128 | Y62-V130 HydrophobicContact CE1-CG2 4.36Å; Y62-V130 PolarHBondContact OH-O 3.01Å; Y62-V130 VanDerWaalsContact OH-O 3.05Å; I69-V130 HydrophobicContact CD1-CB 3.44Å; I69-V130 VanDerWaalsContact CD1-CB 3.44Å; I69-V130 HydrophobicContact CD1-CG1 3.61Å; I69-V130 HydrophobicContact CD1-CG2 3.39Å; F73-V130 HydrophobicContact CD2-CG1 4.45Å; T80-V130 HydrophobicContact CG2-CG2 3.66Å; H121-V130 HydrophobicContact CB-CG2 3.77Å; H121-V130 VanDerWaalsContact O-CG2 3.24Å; H121-V130 WeakPolarHBondContact O-CG2 3.11Å; H121-V130 PolarHBondContact O-N 3.08Å; C123-V130 HydrophobicContact CB-CG1 3.96Å; R128-V130 PolarHBondContact O-N 3.48Å |
| 131 | G | 79.3 | Confident | 82 | Confident | 8 Ų | 8 | 65.9 Ų | 65.9 | 8% | 0.082 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 155.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | H121 | H121-G131 PolarHBondContact N-O 2.89Å; H121-G131 PolarHBondContact O-N 3.38Å |
| 132 | Y | 82.3 | Confident | 81.8 | Confident | 115 Ų | 115 | 70.3 Ų | 70.3 | 45% | 0.451 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 127.1 | 172.7 | 179 | -111.7 | 0 | 0 | 0 | 108.4 | S118 R120 | S118-Y132 WeakPolarHBondContact CB-OH 3.4Å; S118-Y132 PolarHBondContact OG-OH 3.21Å; R120-Y132 HydrophobicContact CG-CD2 3.93Å; R120-Y132 HydrophobicContact CG-CE2 4.25Å |
| 133 | Y | 80.2 | Confident | 81.3 | Confident | 61 Ų | 61 | 71.6 Ų | 71.6 | 24% | 0.239 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 113.5 | 172.8 | 174.5 | -102.3 | 0 | 0 | 0 | 108.3 | Y62 H63 R64 S118 A119 P135 | Y62-Y133 WeakPolarHBondContact O-CD2 3.46Å; H63-Y133 AromaticContact CE1-CZ 3.87Å; H63-Y133 PolarHBondContact CE1-OH 3.11Å; H63-Y133 AromaticContact ND1-CE1 3.84Å; H63-Y133 AromaticContact ND1-CE2 3.79Å; H63-Y133 AromaticContact ND1-CZ 3.47Å; R64-Y133 HydrophobicContact CG-CD1 4.39Å; R64-Y133 HydrophobicContact CG-CE1 4.04Å; S118-Y133 CarbonylContact C-O 3.59Å; S118-Y133 WeakPolarHBondContact CA-O 3.31Å; A119-Y133 HydrophobicContact CB-CD1 4.31Å; A119-Y133 PolarHBondContact N-O 3.3Å; A119-Y133 PolarHBondContact O-N 3.36Å; Y133-P135 HydrophobicContact CE1-CB 4.29Å |
| 134 | S | 74.5 | Confident | 80.8 | Confident | 59 Ų | 59 | 77 Ų | 77 | 41% | 0.413 | 40% | 0.4 | S | S | . | . | trans | -106.6 | 121.1 | 166.2 | 49 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 135 | P | 68.1 | Low | 80.4 | Confident | 29 Ų | 29 | 79.6 Ų | 79.6 | 19% | 0.188 | 41% | 0.409 | C | S | . | . | trans | -67.9 | 130.1 | 165.6 | 34.2 | -37.5 | 0 | 0 | 0 | 107.6 | R64 T116 Y133 | R64-P135 VanDerWaalsContact NH2-CG 3.26Å; T116-P135 VanDerWaalsContact CA-CG 3.49Å; T116-P135 WeakPolarHBondContact O-CG 3.42Å; Y133-P135 HydrophobicContact CE1-CB 4.29Å | ||
| 136 | L | 58.4 | Low | 79.7 | Confident | 241 Ų | 241 | 80.9 Ų | 80.9 | 100% | 1.262 | 41% | 0.405 | S | S | * | . | trans | -65.5 | 0 | 172.9 | -75.6 | 162.6 | 0 | 0 | 0 | 111.4 |
Retrieved 136 of 136 residues in 23.5 ms
(Link to these results)