| 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 | 44.4 | Very low | 42.6 | Very low | 246 Ų | 246 | 158.9 Ų | 158.9 | 100% | 1.212 | 81% | 0.813 | S | S | * | * | 0 | 146.7 | 0 | -89.2 | 87.2 | 151.4 | 0 | 0 | 108.9 | |||||
| 2 | S | 33.7 | Very low | 42.1 | Very low | 126 Ų | 126 | 153.3 Ų | 153.3 | 88% | 0.881 | 81% | 0.808 | S | S | * | * | trans | -52.1 | 156.5 | -168 | -168.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 3 | M | 45.6 | Very low | 42 | Very low | 167 Ų | 167 | 155.4 Ų | 155.4 | 82% | 0.823 | 81% | 0.81 | S | S | * | * | trans | -70 | 152.1 | 171.4 | -68.4 | 176.6 | -174 | 0 | 0 | 114.8 | ||||
| 4 | M | 45.1 | Very low | 41.4 | Very low | 164 Ų | 164 | 152.4 Ų | 152.4 | 81% | 0.808 | 81% | 0.807 | S | S | * | * | 42.7 | 146.8 | 128.6 | -51 | -72.5 | -176.3 | 0 | 0 | 119.7 | |||||
| 5 | D | 47 | Very low | 41.2 | Very low | 137 Ų | 137 | 153 Ų | 153 | 73% | 0.733 | 81% | 0.81 | S | S | * | * | cis | -171.5 | 180 | 13.3 | -128.4 | -49.4 | 0 | 0 | 0 | 109.1 | ||||
| 6 | Y | 40 | Very low | 41 | Very low | 196 Ų | 196 | 151 Ų | 151 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | 120.2 | 127.2 | 137.8 | -128.6 | -103.9 | 0 | 0 | 0 | 120.5 | ||||
| 7 | S | 46.9 | Very low | 40.8 | Very low | 104 Ų | 104 | 148.2 Ų | 148.2 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | 80.5 | 135.2 | 162.6 | 71.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 8 | D | 42.1 | Very low | 40.7 | Very low | 119 Ų | 119 | 148.4 Ų | 148.4 | 64% | 0.636 | 80% | 0.799 | S | S | * | * | cis | 174.7 | 159.1 | -24.5 | -127.7 | -41.2 | 0 | 0 | 0 | 104.3 | ||||
| 9 | Y | 48.8 | Very low | 40.4 | Very low | 210 Ų | 210 | 145.7 Ų | 145.7 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | trans | 80.2 | 79.3 | 156.7 | -85.8 | -112.1 | 0 | 0 | 0 | 120.2 | ||||
| 10 | F | 38.4 | Very low | 40.5 | Very low | 201 Ų | 201 | 144.2 Ų | 144.2 | 88% | 0.882 | 79% | 0.794 | S | S | * | * | -0.7 | 128.5 | 116.6 | -105.4 | -116.7 | 0 | 0 | 0 | 115.9 | |||||
| 11 | A | 36.8 | Very low | 40.6 | Very low | 78 Ų | 78 | 140.8 Ų | 140.8 | 65% | 0.645 | 79% | 0.792 | S | S | * | * | 107.4 | 131.7 | 61.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 12 | A | 36.9 | Very low | 40.6 | Very low | 91 Ų | 91 | 135 Ų | 135 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | trans | 64.8 | 149.6 | 137.6 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 13 | E | 39.8 | Very low | 41.1 | Very low | 181 Ų | 181 | 135.5 Ų | 135.5 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | trans | 87.2 | 122.1 | 157.2 | -44 | -149.4 | 129.8 | 0 | 0 | 116.9 | ||||
| 14 | C | 34.1 | Very low | 41.1 | Very low | 113 Ų | 113 | 135.6 Ų | 135.6 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | 57.8 | 110.8 | 57.5 | -92.7 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 15 | L | 39.1 | Very low | 40.9 | Very low | 162 Ų | 162 | 136.2 Ų | 136.2 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | trans | 91.6 | 141 | 151.9 | -56.1 | 176 | 0 | 0 | 0 | 120.7 | ||||
| 16 | V | 37.2 | Very low | 40.6 | Very low | 121 Ų | 121 | 140.2 Ų | 140.2 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | trans | 96.3 | 104.4 | 152.6 | -161.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 17 | S | 38 | Very low | 40.7 | Very low | 103 Ų | 103 | 136.8 Ų | 136.8 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | 27.7 | 137.5 | 127.9 | -45.5 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 18 | I | 38.9 | Very low | 40.7 | Very low | 152 Ų | 152 | 137.9 Ų | 137.9 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | -179.9 | 148.4 | 85.6 | -81.7 | 160.2 | 0 | 0 | 0 | 110.3 | |||||
| 19 | S | 35.5 | Very low | 41 | Very low | 98 Ų | 98 | 138.1 Ų | 138.1 | 69% | 0.685 | 79% | 0.79 | S | S | * | * | trans | 63.2 | 118.9 | 152.4 | 74.3 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 20 | S | 41.3 | Very low | 40.9 | Very low | 115 Ų | 115 | 134.8 Ų | 134.8 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | 160.7 | 120.4 | 101.7 | -66.6 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 21 | G | 42.6 | Very low | 41.2 | Very low | 73 Ų | 73 | 129.6 Ų | 129.6 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | trans | -77.9 | -158.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 22 | P | 45.6 | Very low | 41.6 | Very low | 124 Ų | 124 | 130.2 Ų | 130.2 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | -114.7 | 150.5 | -54 | 35.4 | -23.9 | 0 | 0 | 0 | 109.9 | |||||
| 23 | V | 43 | Very low | 42.2 | Very low | 137 Ų | 137 | 134.7 Ų | 134.7 | 83% | 0.83 | 80% | 0.796 | S | S | * | * | trans | -121.7 | 111.3 | 167 | -178 | 0 | 0 | 0 | 0 | 109.5 | H25 | V23-H25 PolarHBondContact O-N 3.42Š| ||
| 24 | L | 45.1 | Very low | 42.6 | Very low | 169 Ų | 169 | 131.5 Ų | 131.5 | 89% | 0.885 | 79% | 0.791 | S | S | * | * | trans | -56.7 | 118 | 168 | -69.7 | 165.5 | 0 | 0 | 0 | 109.5 | ||||
| 25 | H | 41.1 | Very low | 43.3 | Very low | 177 Ų | 177 | 131.3 Ų | 131.3 | 82% | 0.819 | 79% | 0.789 | S | S | * | * | trans | -120.5 | 102.2 | 160.5 | -116.1 | -99.1 | 0 | 0 | 0 | 110.2 | V23 | V23-H25 PolarHBondContact O-N 3.42Š| ||
| 26 | R | 40.9 | Very low | 43.5 | Very low | 220 Ų | 220 | 129.9 Ų | 129.9 | 83% | 0.83 | 79% | 0.789 | S | S | * | * | trans | 0.3 | 126.6 | 153.5 | -168.9 | 176 | -176.5 | -178.5 | 1 | 116.8 | ||||
| 27 | P | 42 | Very low | 43.8 | Very low | 124 Ų | 124 | 133 Ų | 133 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 131.5 | 172.8 | 28.8 | -31.6 | 0 | 0 | 0 | 110.7 | ||
| 28 | T | 47.6 | Very low | 43.9 | Very low | 127 Ų | 127 | 132.4 Ų | 132.4 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 148.4 | 165.3 | 42.9 | 0 | 0 | 0 | 0 | 110.1 | ||
| 29 | P | 48.3 | Very low | 43.9 | Very low | 125 Ų | 125 | 133.4 Ų | 133.4 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -72 | 137.1 | -168.7 | 27 | -33.2 | 0 | 0 | 0 | 112.8 | A31 | P29-A31 PolarHBondContact O-N 3.42Š|
| 30 | V | 46.7 | Very low | 44.1 | Very low | 140 Ų | 140 | 136 Ų | 136 | 85% | 0.848 | 81% | 0.808 | S | S | * | * | trans | -56.5 | 114.9 | 170.2 | 167.9 | 0 | 0 | 0 | 0 | 109.5 | A32 | V30-A32 PolarHBondContact O-N 3.18Š| ||
| 31 | A | 45.3 | Very low | 44 | Very low | 91 Ų | 91 | 136.3 Ų | 136.3 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 117.6 | 162 | 0 | 0 | 0 | 0 | 0 | 108 | P29 Q33 | P29-A31 PolarHBondContact O-N 3.42Å; A31-Q33 PolarHBondContact O-N 3.17Å |
| 32 | A | 45.5 | Very low | 43.6 | Very low | 91 Ų | 91 | 136.4 Ų | 136.4 | 75% | 0.752 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 125.2 | 175 | 0 | 0 | 0 | 0 | 0 | 110.1 | V30 | V30-A32 PolarHBondContact O-N 3.18Š|
| 33 | Q | 49.5 | Very low | 43.2 | Very low | 186 Ų | 186 | 138.7 Ų | 138.7 | 87% | 0.869 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 135.9 | 169.1 | -66.8 | 177.9 | -2.4 | 0 | 0 | 109.1 | A31 | A31-Q33 PolarHBondContact O-N 3.17Š|
| 34 | P | 48.3 | Very low | 43.1 | Very low | 114 Ų | 114 | 137.9 Ų | 137.9 | 74% | 0.74 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 149.4 | 164.9 | 28.1 | -31.4 | 0 | 0 | 0 | 110.2 | ||
| 35 | P | 47.8 | Very low | 42.7 | Very low | 109 Ų | 109 | 139.2 Ų | 139.2 | 71% | 0.708 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -63 | 154 | -174.6 | 26.5 | -34.7 | 0 | 0 | 0 | 112.2 | Q37 | P35-Q37 PolarHBondContact O-N 3.36Š|
| 36 | P | 42.6 | Very low | 42.7 | Very low | 132 Ų | 132 | 133.7 Ų | 133.7 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 120.3 | 179.3 | 26.6 | -32.4 | 0 | 0 | 0 | 109.5 | A38 | P36-A38 PolarHBondContact O-N 3.22Š|
| 37 | Q | 44.9 | Very low | 42.8 | Very low | 186 Ų | 186 | 125.3 Ų | 125.3 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 130.7 | 171 | -67.4 | -162.3 | -4.2 | 0 | 0 | 109.1 | P35 L39 | P35-Q37 PolarHBondContact O-N 3.36Å; Q37-L39 PolarHBondContact O-N 3.44Å |
| 38 | A | 39.6 | Very low | 42.9 | Very low | 91 Ų | 91 | 124.6 Ų | 124.6 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 130.1 | 176 | 0 | 0 | 0 | 0 | 0 | 110.6 | P36 L40 | P36-A38 PolarHBondContact O-N 3.22Å; A38-L40 PolarHBondContact O-N 3.47Å |
| 39 | L | 38.3 | Very low | 42.6 | Very low | 172 Ų | 172 | 125.3 Ų | 125.3 | 90% | 0.901 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 118.8 | 167.9 | -100 | 80 | 0 | 0 | 0 | 109.3 | Q37 | Q37-L39 PolarHBondContact O-N 3.44Š|
| 40 | L | 39.9 | Very low | 42.1 | Very low | 154 Ų | 154 | 123.6 Ų | 123.6 | 81% | 0.806 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 148.2 | 157.9 | -70.1 | 176.1 | 0 | 0 | 0 | 109.2 | A38 | A38-L40 PolarHBondContact O-N 3.47Š|
| 41 | P | 38.8 | Very low | 41.9 | Very low | 120 Ų | 120 | 124.6 Ų | 124.6 | 78% | 0.779 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 138.2 | -175.1 | 26.6 | -32.6 | 0 | 0 | 0 | 111 | ||
| 42 | G | 35.7 | Very low | 41.8 | Very low | 76 Ų | 76 | 126.6 Ų | 126.6 | 78% | 0.784 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 133.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 43 | E | 36.5 | Very low | 41.8 | Very low | 171 Ų | 171 | 125.5 Ų | 125.5 | 80% | 0.799 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 143 | 158.6 | -63.5 | -89.9 | 102.6 | 0 | 0 | 108.6 | E45 | E43-E45 PolarHBondContact O-N 3.18Š|
| 44 | P | 41.1 | Very low | 41.7 | Very low | 121 Ų | 121 | 123.8 Ų | 123.8 | 79% | 0.786 | 69% | 0.694 | S | S | * | * | trans | -65.5 | 112.8 | 177 | 26.8 | -31.3 | 0 | 0 | 0 | 108.8 | G46 | P44-G46 PolarHBondContact O-N 2.99Š| ||
| 45 | E | 37.3 | Very low | 41.4 | Very low | 196 Ų | 196 | 123.9 Ų | 123.9 | 92% | 0.916 | 68% | 0.684 | S | S | * | * | trans | -58.3 | 86.9 | 169.1 | -67.2 | -104.3 | 133.1 | 0 | 0 | 108.6 | E43 S47 | E43-E45 PolarHBondContact O-N 3.18Å; E45-S47 PolarHBondContact O-N 3.17Å; E45-S47 VanDerWaalsContact O-N 3.15Å | ||
| 46 | G | 40.3 | Very low | 41.1 | Very low | 62 Ų | 62 | 121.5 Ų | 121.5 | 64% | 0.639 | 67% | 0.668 | S | S | * | * | trans | -60.9 | 114.9 | 165.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | P44 N48 | P44-G46 PolarHBondContact O-N 2.99Å; G46-N48 PolarHBondContact O-N 2.86Å | ||
| 47 | S | 42.3 | Very low | 41.2 | Very low | 43 Ų | 43 | 121 Ų | 121 | 30% | 0.301 | 66% | 0.656 | S | S | . | * | trans | -41.5 | 135.9 | -175.9 | 70.8 | 0 | 0 | 0 | 0 | 111.2 | E45 E49 D50 | E45-S47 PolarHBondContact O-N 3.17Å; E45-S47 VanDerWaalsContact O-N 3.15Å; S47-E49 PolarHBondContact O-N 3.18Å; S47-D50 PolarHBondContact O-N 3.02Å; S47-D50 PolarHBondContact OG-N 2.93Å; S47-D50 PolarHBondContact OG-OD2 3.03Å | ||
| 48 | N | 44.6 | Very low | 41.4 | Very low | 109 Ų | 109 | 120.4 Ų | 120.4 | 58% | 0.583 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -51.7 | -24.6 | 174.5 | -109.9 | -44.2 | 0 | 0 | 0 | 111.7 | G46 R51 E52 | G46-N48 PolarHBondContact O-N 2.86Å; N48-R51 PolarHBondContact O-N 3.15Å; N48-R51 PolarHBondContact OD1-NH2 3.34Å; N48-R51 VanDerWaalsContact OD1-NH2 3.09Å; N48-E52 WeakPolarHBondContact O-CB 3.47Å; N48-E52 PolarHBondContact O-N 3.27Å; N48-E52 VanDerWaalsContact O-N 3.09Å |
| 49 | E | 40.7 | Very low | 41.8 | Very low | 143 Ų | 143 | 121.9 Ų | 121.9 | 67% | 0.668 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -61.5 | -40.1 | 174.9 | -58.7 | 174 | 107.6 | 0 | 0 | 112.4 | S47 R51 E52 V53 | S47-E49 PolarHBondContact O-N 3.18Å; E49-R51 VanDerWaalsContact C-N 3.33Å; E49-R51 PolarHBondContact O-N 2.76Å; E49-E52 PolarHBondContact O-N 3.41Å; E49-V53 VanDerWaalsContact O-CB 3.29Å; E49-V53 WeakPolarHBondContact O-CB 3.37Å; E49-V53 WeakPolarHBondContact O-CG2 3.23Å; E49-V53 PolarHBondContact O-N 2.98Å |
| 50 | D | 37.8 | Very low | 41.8 | Very low | 88 Ų | 88 | 119.5 Ų | 119.5 | 47% | 0.471 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -72.6 | -23.2 | -179.7 | -73.5 | -52.4 | 0 | 0 | 0 | 114 | S47 R54 | S47-D50 PolarHBondContact O-N 3.02Å; S47-D50 PolarHBondContact OG-N 2.93Å; S47-D50 PolarHBondContact OG-OD2 3.03Å; D50-R54 PolarHBondContact O-N 3.07Å; D50-R54 PolarHBondContact O-NE 3.47Å; D50-R54 VanDerWaalsContact O-NE 3.14Å |
| 51 | R | 44 | Very low | 41.8 | Very low | 161 Ų | 161 | 113.2 Ų | 113.2 | 61% | 0.608 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -82 | -43 | 173.9 | -173.7 | 172.4 | 64.7 | 156.4 | -1.6 | 110.5 | N48 E49 R54 E55 | N48-R51 PolarHBondContact O-N 3.15Å; N48-R51 PolarHBondContact OD1-NH2 3.34Å; N48-R51 VanDerWaalsContact OD1-NH2 3.09Å; E49-R51 VanDerWaalsContact C-N 3.33Å; E49-R51 PolarHBondContact O-N 2.76Å; R51-R54 PolarHBondContact O-N 2.96Å; R51-R54 VanDerWaalsContact O-N 3.17Å; R51-E55 PolarHBondContact O-N 3.25Å |
| 52 | E | 42.6 | Very low | 41.8 | Very low | 133 Ų | 133 | 109.9 Ų | 109.9 | 62% | 0.621 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.9 | -36.2 | 177.2 | -155.3 | 169.3 | 149 | 0 | 0 | 111.8 | N48 E49 R54 E55 T56 | N48-E52 WeakPolarHBondContact O-CB 3.47Å; N48-E52 PolarHBondContact O-N 3.27Å; N48-E52 VanDerWaalsContact O-N 3.09Å; E49-E52 PolarHBondContact O-N 3.41Å; E52-R54 VanDerWaalsContact C-N 3.34Å; E52-R54 PolarHBondContact O-N 3.44Å; E52-E55 PolarHBondContact O-N 3.17Å; E52-T56 WeakPolarHBondContact O-CB 3.28Å; E52-T56 VanDerWaalsContact O-CG2 3.22Å; E52-T56 WeakPolarHBondContact O-CG2 3.41Å; E52-T56 PolarHBondContact O-N 3.12Å; E52-T56 PolarHBondContact O-OG1 3.18Å |
| 53 | V | 45.3 | Very low | 42 | Very low | 69 Ų | 69 | 109 Ų | 109 | 42% | 0.418 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.4 | -34.5 | 171.5 | 173 | 0 | 0 | 0 | 0 | 111.8 | E49 T56 M57 | E49-V53 VanDerWaalsContact O-CB 3.29Å; E49-V53 WeakPolarHBondContact O-CB 3.37Å; E49-V53 WeakPolarHBondContact O-CG2 3.23Å; E49-V53 PolarHBondContact O-N 2.98Å; V53-T56 WeakPolarHBondContact CA-OG1 3.1Å; V53-T56 PolarHBondContact O-OG1 3.32Å; V53-M57 HydrophobicContact CG1-CE 3.73Å; V53-M57 HydrophobicContact CG1-SD 4.34Å; V53-M57 VanDerWaalsContact O-CB 3.28Å; V53-M57 WeakPolarHBondContact O-CB 3.33Å; V53-M57 WeakPolarHBondContact O-CG 3.26Å; V53-M57 PolarHBondContact O-N 3.38Å |
| 54 | R | 48.2 | Very low | 42.3 | Very low | 150 Ų | 150 | 106.8 Ų | 106.8 | 57% | 0.566 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -75.7 | -31.2 | 174.5 | -100.4 | 178.5 | -76.2 | 162.7 | -9.6 | 113.5 | D50 R51 E52 R58 | D50-R54 PolarHBondContact O-N 3.07Å; D50-R54 PolarHBondContact O-NE 3.47Å; D50-R54 VanDerWaalsContact O-NE 3.14Å; R51-R54 PolarHBondContact O-N 2.96Å; R51-R54 VanDerWaalsContact O-N 3.17Å; E52-R54 VanDerWaalsContact C-N 3.34Å; E52-R54 PolarHBondContact O-N 3.44Å; R54-R58 WeakPolarHBondContact O-CG 3.16Å; R54-R58 PolarHBondContact O-N 2.94Å; R54-R58 VanDerWaalsContact O-N 3.13Å |
| 55 | E | 40.9 | Very low | 42.3 | Very low | 115 Ų | 115 | 107.8 Ų | 107.8 | 54% | 0.537 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -72 | -45.3 | 174.8 | -156.5 | 93.1 | -166.2 | 0 | 0 | 110.4 | R51 E52 R58 L59 | R51-E55 PolarHBondContact O-N 3.25Å; E52-E55 PolarHBondContact O-N 3.17Å; E55-R58 WeakPolarHBondContact O-CB 3.32Å; E55-R58 PolarHBondContact O-N 3.44Å; E55-R58 VanDerWaalsContact O-N 3.12Å; E55-L59 HydrophobicContact CG-CD1 4.4Å; E55-L59 WeakPolarHBondContact O-CG 3.36Å; E55-L59 PolarHBondContact O-N 2.91Å |
| 56 | T | 42.2 | Very low | 42.7 | Very low | 60 Ų | 60 | 104.9 Ų | 104.9 | 37% | 0.368 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 174 | 51.7 | 0 | 0 | 0 | 0 | 111.4 | E52 V53 R58 L59 E60 | E52-T56 WeakPolarHBondContact O-CB 3.28Å; E52-T56 VanDerWaalsContact O-CG2 3.22Å; E52-T56 WeakPolarHBondContact O-CG2 3.41Å; E52-T56 PolarHBondContact O-N 3.12Å; E52-T56 PolarHBondContact O-OG1 3.18Å; V53-T56 WeakPolarHBondContact CA-OG1 3.1Å; V53-T56 PolarHBondContact O-OG1 3.32Å; T56-R58 VanDerWaalsContact C-N 3.26Å; T56-R58 PolarHBondContact O-N 3.28Å; T56-L59 PolarHBondContact O-N 3.3Å; T56-E60 VanDerWaalsContact O-CB 3.23Å; T56-E60 WeakPolarHBondContact O-CB 3.41Å; T56-E60 WeakPolarHBondContact O-CG 3.41Å; T56-E60 PolarHBondContact O-N 3.06Å |
| 57 | M | 43.9 | Very low | 42.9 | Very low | 121 Ų | 121 | 104.5 Ų | 104.5 | 60% | 0.596 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62 | -29.1 | 171.9 | -75.4 | -176.9 | -175 | 0 | 0 | 113.4 | V53 G61 | V53-M57 HydrophobicContact CG1-CE 3.73Å; V53-M57 HydrophobicContact CG1-SD 4.34Å; V53-M57 VanDerWaalsContact O-CB 3.28Å; V53-M57 WeakPolarHBondContact O-CB 3.33Å; V53-M57 WeakPolarHBondContact O-CG 3.26Å; V53-M57 PolarHBondContact O-N 3.38Å; M57-G61 WeakPolarHBondContact O-CA 3.27Å; M57-G61 PolarHBondContact O-N 2.97Å |
| 58 | R | 49.3 | Very low | 42.9 | Very low | 173 Ų | 173 | 105 Ų | 105 | 65% | 0.653 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -76.8 | -39 | 173.1 | -84.9 | -175.9 | 176.3 | 85.6 | -2.8 | 112.8 | R54 E55 T56 G61 A62 | R54-R58 WeakPolarHBondContact O-CG 3.16Å; R54-R58 PolarHBondContact O-N 2.94Å; R54-R58 VanDerWaalsContact O-N 3.13Å; E55-R58 WeakPolarHBondContact O-CB 3.32Å; E55-R58 PolarHBondContact O-N 3.44Å; E55-R58 VanDerWaalsContact O-N 3.12Å; T56-R58 VanDerWaalsContact C-N 3.26Å; T56-R58 PolarHBondContact O-N 3.28Å; R58-G61 CarbonylContact O-C 3.56Å; R58-G61 PolarHBondContact O-N 2.77Å; R58-A62 PolarHBondContact O-N 3.29Å |
| 59 | L | 47.5 | Very low | 42.8 | Very low | 122 Ų | 122 | 100.9 Ų | 100.9 | 64% | 0.639 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -72.1 | -35 | 176.6 | -68.5 | 168.6 | 0 | 0 | 0 | 111.5 | E55 T56 N63 | E55-L59 HydrophobicContact CG-CD1 4.4Å; E55-L59 WeakPolarHBondContact O-CG 3.36Å; E55-L59 PolarHBondContact O-N 2.91Å; T56-L59 PolarHBondContact O-N 3.3Å; L59-N63 PolarHBondContact O-N 3.07Å |
| 60 | E | 39.8 | Very low | 43.2 | Very low | 123 Ų | 123 | 96.8 Ų | 96.8 | 58% | 0.575 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -72.9 | -34.9 | 169.4 | -68.5 | -178.4 | 155.1 | 0 | 0 | 111.8 | T56 N63 M64 | T56-E60 VanDerWaalsContact O-CB 3.23Å; T56-E60 WeakPolarHBondContact O-CB 3.41Å; T56-E60 WeakPolarHBondContact O-CG 3.41Å; T56-E60 PolarHBondContact O-N 3.06Å; E60-N63 CarbonylContact O-C 3.5Å; E60-N63 WeakPolarHBondContact O-CA 3.44Å; E60-N63 WeakPolarHBondContact O-CB 3.35Å; E60-N63 PolarHBondContact O-N 3.15Å; E60-M64 PolarHBondContact O-N 3.44Å |
| 61 | G | 38.7 | Very low | 43.6 | Very low | 21 Ų | 21 | 97.4 Ų | 97.4 | 22% | 0.216 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -60.5 | -38.1 | 169 | 0 | 0 | 0 | 0 | 0 | 113.8 | M57 R58 N63 M64 | M57-G61 WeakPolarHBondContact O-CA 3.27Å; M57-G61 PolarHBondContact O-N 2.97Å; R58-G61 CarbonylContact O-C 3.56Å; R58-G61 PolarHBondContact O-N 2.77Å; G61-N63 VanDerWaalsContact C-N 3.3Å; G61-M64 WeakPolarHBondContact O-CG 3.28Å |
| 62 | A | 38.4 | Very low | 43.7 | Very low | 50 Ų | 50 | 94 Ų | 94 | 41% | 0.413 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -72.6 | -25.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R58 K66 | R58-A62 PolarHBondContact O-N 3.29Å; A62-K66 PolarHBondContact O-N 3.32Å |
| 63 | N | 40.2 | Very low | 43.4 | Very low | 57 Ų | 57 | 91.7 Ų | 91.7 | 31% | 0.305 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -81.5 | -33.9 | 179.4 | -149.5 | -2.9 | 0 | 0 | 0 | 112.5 | L59 E60 G61 M65 K66 V67 | L59-N63 PolarHBondContact O-N 3.07Å; E60-N63 CarbonylContact O-C 3.5Å; E60-N63 WeakPolarHBondContact O-CA 3.44Å; E60-N63 WeakPolarHBondContact O-CB 3.35Å; E60-N63 PolarHBondContact O-N 3.15Å; G61-N63 VanDerWaalsContact C-N 3.3Å; N63-M65 VanDerWaalsContact C-N 3.3Å; N63-M65 PolarHBondContact O-N 3.4Å; N63-K66 WeakPolarHBondContact O-CB 3.15Å; N63-K66 PolarHBondContact O-N 2.91Å; N63-K66 VanDerWaalsContact O-N 3.14Å; N63-V67 WeakPolarHBondContact O-CG2 3.21Å; N63-V67 PolarHBondContact O-N 3.23Å |
| 64 | M | 43.7 | Very low | 43.3 | Very low | 125 Ų | 125 | 91.2 Ų | 91.2 | 62% | 0.616 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64.8 | -33.8 | 171.4 | 63.3 | 178.4 | 72.6 | 0 | 0 | 112.4 | E60 G61 K66 V67 A68 | E60-M64 PolarHBondContact O-N 3.44Å; G61-M64 WeakPolarHBondContact O-CG 3.28Å; M64-K66 VanDerWaalsContact C-N 3.32Å; M64-V67 PolarHBondContact O-N 2.94Å; M64-A68 PolarHBondContact O-N 3.14Å; M64-A68 VanDerWaalsContact O-N 3.09Å |
| 65 | M | 40.6 | Very low | 42.9 | Very low | 143 Ų | 143 | 91.1 Ų | 91.1 | 70% | 0.704 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -71.5 | -26.7 | 173.6 | -64.7 | -60.3 | -117.8 | 0 | 0 | 112.2 | N63 G69 | N63-M65 VanDerWaalsContact C-N 3.3Å; N63-M65 PolarHBondContact O-N 3.4Å; M65-G69 PolarHBondContact O-N 3Å |
| 66 | K | 45.3 | Very low | 42.8 | Very low | 134 Ų | 134 | 90.1 Ų | 90.1 | 58% | 0.583 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -75.4 | -35.6 | 170.3 | -74.5 | 170.7 | -178.9 | 173.9 | 0 | 112.7 | A62 N63 M64 G69 I70 | A62-K66 PolarHBondContact O-N 3.32Å; N63-K66 WeakPolarHBondContact O-CB 3.15Å; N63-K66 PolarHBondContact O-N 2.91Å; N63-K66 VanDerWaalsContact O-N 3.14Å; M64-K66 VanDerWaalsContact C-N 3.32Å; K66-G69 CarbonylContact O-C 3.58Å; K66-G69 PolarHBondContact O-N 2.9Å; K66-I70 WeakPolarHBondContact O-CB 3.29Å; K66-I70 VanDerWaalsContact O-CD1 3.3Å; K66-I70 WeakPolarHBondContact O-CD1 3.45Å; K66-I70 WeakPolarHBondContact O-CG1 3.38Å; K66-I70 PolarHBondContact O-N 3.34Å |
| 67 | V | 44.6 | Very low | 42.6 | Very low | 55 Ų | 55 | 95.1 Ų | 95.1 | 33% | 0.333 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70.9 | -39.4 | 177.2 | 175.5 | 0 | 0 | 0 | 0 | 111.9 | N63 M64 L71 | N63-V67 WeakPolarHBondContact O-CG2 3.21Å; N63-V67 PolarHBondContact O-N 3.23Å; M64-V67 PolarHBondContact O-N 2.94Å; V67-L71 PolarHBondContact O-N 2.87Å |
| 68 | A | 42.8 | Very low | 42.3 | Very low | 53 Ų | 53 | 96.7 Ų | 96.7 | 44% | 0.438 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.8 | -42.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | M64 L71 T72 | M64-A68 PolarHBondContact O-N 3.14Å; M64-A68 VanDerWaalsContact O-N 3.09Å; A68-L71 PolarHBondContact O-N 3.28Å; A68-T72 PolarHBondContact O-N 3.01Å; A68-T72 VanDerWaalsContact O-N 3.13Å; A68-T72 PolarHBondContact O-OG1 3.02Å; A68-T72 VanDerWaalsContact O-OG1 3.06Å |
| 69 | G | 41.3 | Very low | 41.3 | Very low | 22 Ų | 22 | 99.9 Ų | 99.9 | 23% | 0.227 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -59.5 | -41.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | M65 K66 T72 D73 | M65-G69 PolarHBondContact O-N 3Å; K66-G69 CarbonylContact O-C 3.58Å; K66-G69 PolarHBondContact O-N 2.9Å; G69-T72 VanDerWaalsContact C-OG1 3.29Å; G69-T72 VanDerWaalsContact CA-OG1 3.24Å; G69-T72 WeakPolarHBondContact CA-OG1 3.43Å; G69-T72 CarbonylContact O-C 3.58Å; G69-T72 PolarHBondContact O-N 2.71Å; G69-T72 PolarHBondContact O-OG1 2.74Å; G69-D73 VanDerWaalsContact O-CB 3.3Å; G69-D73 WeakPolarHBondContact O-CB 3.37Å; G69-D73 PolarHBondContact O-N 2.92Å |
| 70 | I | 49.1 | Very low | 40.7 | Very low | 58 Ų | 58 | 98.7 Ų | 98.7 | 30% | 0.297 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.5 | -37.3 | 178.6 | -71.5 | 160.3 | 0 | 0 | 0 | 110.9 | K66 T72 D73 L74 | K66-I70 WeakPolarHBondContact O-CB 3.29Å; K66-I70 VanDerWaalsContact O-CD1 3.3Å; K66-I70 WeakPolarHBondContact O-CD1 3.45Å; K66-I70 WeakPolarHBondContact O-CG1 3.38Å; K66-I70 PolarHBondContact O-N 3.34Å; I70-T72 VanDerWaalsContact C-N 3.33Å; I70-D73 PolarHBondContact O-N 2.96Å; I70-L74 HydrophobicContact CG2-CD1 3.53Å; I70-L74 WeakPolarHBondContact O-CB 3.09Å; I70-L74 WeakPolarHBondContact O-CD1 3.22Å; I70-L74 PolarHBondContact O-N 3.4Å |
| 71 | L | 46.1 | Very low | 40.1 | Very low | 101 Ų | 101 | 101.9 Ų | 101.9 | 53% | 0.529 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.8 | -36.9 | 172.9 | -81.1 | 158 | 0 | 0 | 0 | 111.8 | V67 A68 | V67-L71 PolarHBondContact O-N 2.87Å; A68-L71 PolarHBondContact O-N 3.28Å |
| 72 | T | 46.5 | Very low | 39.7 | Very low | 89 Ų | 89 | 106.1 Ų | 106.1 | 55% | 0.546 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -76.7 | -33.8 | 174.2 | 43.9 | 0 | 0 | 0 | 0 | 113.5 | A68 G69 I70 H75 S76 | A68-T72 PolarHBondContact O-N 3.01Å; A68-T72 VanDerWaalsContact O-N 3.13Å; A68-T72 PolarHBondContact O-OG1 3.02Å; A68-T72 VanDerWaalsContact O-OG1 3.06Å; G69-T72 VanDerWaalsContact C-OG1 3.29Å; G69-T72 VanDerWaalsContact CA-OG1 3.24Å; G69-T72 WeakPolarHBondContact CA-OG1 3.43Å; G69-T72 CarbonylContact O-C 3.58Å; G69-T72 PolarHBondContact O-N 2.71Å; G69-T72 PolarHBondContact O-OG1 2.74Å; I70-T72 VanDerWaalsContact C-N 3.33Å; T72-H75 WeakPolarHBondContact O-CB 3.29Å; T72-H75 PolarHBondContact O-N 2.99Å; T72-S76 PolarHBondContact O-N 3.21Å |
| 73 | D | 37 | Very low | 39.4 | Very low | 84 Ų | 84 | 108.8 Ų | 108.8 | 45% | 0.449 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -77.2 | -32.6 | 179.6 | -88.7 | -19.8 | 0 | 0 | 0 | 112.9 | G69 I70 H75 S76 K77 | G69-D73 VanDerWaalsContact O-CB 3.3Å; G69-D73 WeakPolarHBondContact O-CB 3.37Å; G69-D73 PolarHBondContact O-N 2.92Å; I70-D73 PolarHBondContact O-N 2.96Å; D73-H75 PolarHBondContact O-N 3.01Å; D73-S76 PolarHBondContact O-N 2.96Å; D73-S76 VanDerWaalsContact O-N 3.16Å; D73-K77 WeakPolarHBondContact O-CB 3.46Å; D73-K77 PolarHBondContact O-N 2.93Å |
| 74 | L | 42.7 | Very low | 38.7 | Very low | 59 Ų | 59 | 116 Ų | 116 | 31% | 0.309 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -64.5 | -28.1 | 168.3 | -95.4 | 96.7 | 0 | 0 | 0 | 111.9 | I70 F168 | I70-L74 HydrophobicContact CG2-CD1 3.53Å; I70-L74 WeakPolarHBondContact O-CB 3.09Å; I70-L74 WeakPolarHBondContact O-CD1 3.22Å; I70-L74 PolarHBondContact O-N 3.4Å; L74-F168 HydrophobicContact CD2-CD1 3.98Å; L74-F168 HydrophobicContact CD2-CE1 4.12Å |
| 75 | H | 40.4 | Very low | 38.1 | Very low | 149 Ų | 149 | 115 Ų | 115 | 69% | 0.69 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -76.2 | -30 | 171.3 | -86.9 | -154.7 | 0 | 0 | 0 | 112.8 | T72 D73 | T72-H75 WeakPolarHBondContact O-CB 3.29Å; T72-H75 PolarHBondContact O-N 2.99Å; D73-H75 PolarHBondContact O-N 3.01Å |
| 76 | S | 37.7 | Very low | 37.9 | Very low | 94 Ų | 94 | 116.7 Ų | 116.7 | 66% | 0.657 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -87.8 | -35.1 | -175.9 | -153.9 | 0 | 0 | 0 | 0 | 113.7 | T72 D73 | T72-S76 PolarHBondContact O-N 3.21Å; D73-S76 PolarHBondContact O-N 2.96Å; D73-S76 VanDerWaalsContact O-N 3.16Å |
| 77 | K | 38.9 | Very low | 37.2 | Very low | 165 Ų | 165 | 113.8 Ų | 113.8 | 72% | 0.717 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -81.5 | -14.5 | -179.6 | -72.4 | 179.4 | -179.8 | 173.5 | 0 | 114.5 | D73 | D73-K77 WeakPolarHBondContact O-CB 3.46Å; D73-K77 PolarHBondContact O-N 2.93Å |
| 78 | F | 37.8 | Very low | 37 | Very low | 153 Ų | 153 | 116.3 Ų | 116.3 | 67% | 0.671 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -124.8 | 91.9 | 173.6 | -74.4 | -85.1 | 0 | 0 | 0 | 109.1 | P80 | F78-P80 WeakPolarHBondContact O-CD 3.27Š|
| 79 | R | 28.6 | Very low | 36.4 | Very low | 241 Ų | 241 | 120.2 Ų | 120.2 | 91% | 0.909 | 65% | 0.646 | S | S | * | * | trans | -39.6 | 109.3 | 172.3 | -170 | -177 | -157.6 | -144.1 | 5.3 | 110.2 | ||||
| 80 | P | 33.4 | Very low | 36.2 | Very low | 96 Ų | 96 | 125.5 Ų | 125.5 | 62% | 0.623 | 68% | 0.68 | S | S | * | * | trans | -74.8 | 132.8 | 175.6 | 27.2 | -28.4 | 0 | 0 | 0 | 108.8 | F78 S82 | F78-P80 WeakPolarHBondContact O-CD 3.27Å; P80-S82 PolarHBondContact O-N 2.81Å; P80-S82 VanDerWaalsContact O-N 3.09Å | ||
| 81 | M | 28.6 | Very low | 35.2 | Very low | 191 Ų | 191 | 128 Ų | 128 | 94% | 0.941 | 70% | 0.702 | S | S | * | * | trans | -59.2 | 115.7 | 161.7 | -85.7 | -155.9 | 177.3 | 0 | 0 | 108 | ||||
| 82 | S | 30.2 | Very low | 34.5 | Very low | 110 Ų | 110 | 129.3 Ų | 129.3 | 77% | 0.769 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -6.3 | 135.8 | 171.9 | 57.7 | 0 | 0 | 0 | 0 | 119.4 | P80 | P80-S82 PolarHBondContact O-N 2.81Å; P80-S82 VanDerWaalsContact O-N 3.09Å |
| 83 | A | 30.8 | Very low | 33.7 | Very low | 105 Ų | 105 | 128.3 Ų | 128.3 | 87% | 0.868 | 73% | 0.726 | S | S | * | * | trans | 73.6 | 86.9 | 157.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 84 | Y | 27.2 | Very low | 33.5 | Very low | 209 Ų | 209 | 133.8 Ų | 133.8 | 82% | 0.82 | 75% | 0.749 | S | S | * | * | trans | -100.6 | 102.7 | 164.9 | -164.7 | -97.9 | 0 | 0 | 0 | 108.5 | ||||
| 85 | S | 30.1 | Very low | 33.2 | Very low | 103 Ų | 103 | 136.2 Ų | 136.2 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | trans | -94.6 | 137.3 | 160.2 | 55.1 | 0 | 0 | 0 | 0 | 109.2 | S87 | S85-S87 PolarHBondContact O-N 3.17Š| ||
| 86 | E | 36.7 | Very low | 32.8 | Very low | 179 Ų | 179 | 132.6 Ų | 132.6 | 84% | 0.836 | 77% | 0.774 | S | S | * | * | trans | -59 | 131.2 | -178.9 | -61.9 | 174.7 | 115.1 | 0 | 0 | 111.2 | ||||
| 87 | S | 31 | Very low | 32.6 | Very low | 74 Ų | 74 | 138 Ų | 138 | 52% | 0.517 | 78% | 0.781 | S | S | . | * | trans | -171.2 | 106.1 | 142.6 | 36.1 | 0 | 0 | 0 | 0 | 108.9 | S85 N89 | S85-S87 PolarHBondContact O-N 3.17Å; S87-N89 PolarHBondContact O-N 3.48Å | ||
| 88 | S | 40.2 | Very low | 32.3 | Very low | 108 Ų | 108 | 136.5 Ų | 136.5 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | -64.1 | 116.1 | 156.7 | -58 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 89 | N | 30.5 | Very low | 32.1 | Very low | 135 Ų | 135 | 135.1 Ų | 135.1 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | -145.5 | 90.3 | 160.9 | -89 | -32 | 0 | 0 | 0 | 107.9 | S87 | S87-N89 PolarHBondContact O-N 3.48Š| ||
| 90 | S | 36.8 | Very low | 32.7 | Very low | 132 Ų | 132 | 132 Ų | 132 | 92% | 0.923 | 79% | 0.79 | S | S | * | * | trans | -73.6 | 112.6 | 152.5 | -66.2 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 91 | S | 28 | Very low | 32.7 | Very low | 110 Ų | 110 | 132.4 Ų | 132.4 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -136.8 | 99.1 | 160.9 | -175.1 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 92 | C | 30.6 | Very low | 32.9 | Very low | 130 Ų | 130 | 130.2 Ų | 130.2 | 88% | 0.878 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 117.5 | 154.8 | -66.4 | 0 | 0 | 0 | 0 | 104.7 | ||
| 93 | G | 31.2 | Very low | 33.1 | Very low | 68 Ų | 68 | 129.7 Ų | 129.7 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 137.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | S95 | G93-S95 PolarHBondContact O-N 3.47Š|
| 94 | E | 32.9 | Very low | 33.4 | Very low | 199 Ų | 199 | 131.5 Ų | 131.5 | 93% | 0.93 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 121.5 | 165.6 | -69.4 | 172.5 | 106.7 | 0 | 0 | 108.9 | ||
| 95 | S | 34.8 | Very low | 33.7 | Very low | 110 Ų | 110 | 127.7 Ų | 127.7 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | -97.8 | 92.6 | 160 | 58 | 0 | 0 | 0 | 0 | 107.5 | G93 Y97 | G93-S95 PolarHBondContact O-N 3.47Å; S95-Y97 PolarHBondContact O-N 2.86Å | ||
| 96 | G | 32.8 | Very low | 34.2 | Very low | 73 Ų | 73 | 128.3 Ų | 128.3 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 117.6 | 165 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 97 | Y | 32.8 | Very low | 33.9 | Very low | 208 Ų | 208 | 126.3 Ų | 126.3 | 82% | 0.816 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 117.8 | 158.7 | 60 | -85.1 | 0 | 0 | 0 | 106.7 | S95 | S95-Y97 PolarHBondContact O-N 2.86Š|
| 98 | T | 32.4 | Very low | 34 | Very low | 133 Ų | 133 | 131.3 Ų | 131.3 | 82% | 0.816 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 131.9 | 174.1 | 40.2 | 0 | 0 | 0 | 0 | 109.4 | ||
| 99 | T | 35.1 | Very low | 33.7 | Very low | 123 Ų | 123 | 132.7 Ų | 132.7 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 121.5 | 170.5 | 45.9 | 0 | 0 | 0 | 0 | 109.6 | ||
| 100 | L | 40.5 | Very low | 34.6 | Very low | 175 Ų | 175 | 132.2 Ų | 132.2 | 92% | 0.916 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 130.9 | 168.7 | -73.7 | 160.9 | 0 | 0 | 0 | 109.8 | ||
| 101 | S | 33.8 | Very low | 34.3 | Very low | 105 Ų | 105 | 132 Ų | 132 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | trans | -158.6 | 138.3 | 151 | 29.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 102 | D | 32.1 | Very low | 34.7 | Very low | 145 Ų | 145 | 130.7 Ų | 130.7 | 78% | 0.775 | 81% | 0.805 | S | S | * | * | trans | 66.4 | 117.9 | 161.5 | -71.8 | -32.5 | 0 | 0 | 0 | 121.2 | ||||
| 103 | S | 35.6 | Very low | 35.5 | Very low | 99 Ų | 99 | 131.6 Ų | 131.6 | 69% | 0.692 | 81% | 0.807 | S | S | * | * | 77.9 | 87.2 | 59.3 | -55.3 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 104 | T | 35.8 | Very low | 35.9 | Very low | 143 Ų | 143 | 134.2 Ų | 134.2 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | trans | -158.4 | 114.9 | 140.7 | -24.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 105 | T | 34.4 | Very low | 36.5 | Very low | 130 Ų | 130 | 132.4 Ų | 132.4 | 80% | 0.798 | 81% | 0.807 | S | S | * | * | trans | -73.2 | 153.7 | 158.9 | 36.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 106 | P | 41.2 | Very low | 36.7 | Very low | 115 Ų | 115 | 133.2 Ų | 133.2 | 75% | 0.747 | 81% | 0.809 | S | S | * | * | -145.9 | 144.1 | 102 | 31.9 | -13.2 | 0 | 0 | 0 | 116.3 | |||||
| 107 | T | 28.6 | Very low | 37.3 | Very low | 137 Ų | 137 | 132.9 Ų | 132.9 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | trans | 52.1 | 122.5 | 133.5 | -45.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 108 | M | 34.1 | Very low | 37.8 | Very low | 179 Ų | 179 | 132.1 Ų | 132.1 | 88% | 0.882 | 81% | 0.81 | S | S | * | * | trans | -77.7 | 141 | 176.8 | -58.5 | -147.8 | 126.6 | 0 | 0 | 114.2 | ||||
| 109 | T | 34.3 | Very low | 38 | Very low | 138 Ų | 138 | 135.9 Ų | 135.9 | 85% | 0.847 | 81% | 0.811 | S | S | * | * | trans | -137.8 | 140.9 | 139.9 | 48.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 110 | P | 48.3 | Very low | 38.4 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | trans | -107.8 | 126.1 | -174.3 | 35.5 | -24.5 | 0 | 0 | 0 | 111.4 | ||||
| 111 | S | 32 | Very low | 38.6 | Very low | 126 Ų | 126 | 132.1 Ų | 132.1 | 88% | 0.881 | 80% | 0.797 | S | S | * | * | trans | -174.4 | 154 | 146.1 | -142 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 112 | A | 35.8 | Very low | 39.1 | Very low | 84 Ų | 84 | 132.5 Ų | 132.5 | 69% | 0.694 | 80% | 0.795 | S | S | * | * | trans | 81.8 | 92.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | P114 | A112-P114 VanDerWaalsContact O-CD 3.27Å; A112-P114 WeakPolarHBondContact O-CD 3.48Å | ||
| 113 | T | 47.9 | Very low | 40 | Very low | 148 Ų | 148 | 134.3 Ų | 134.3 | 91% | 0.908 | 80% | 0.799 | S | S | * | * | trans | -51.6 | 128 | 156.8 | 27.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 114 | P | 38.7 | Very low | 40.8 | Very low | 124 Ų | 124 | 136.7 Ų | 136.7 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | trans | -108.6 | 135.9 | 160.5 | 0.1 | 22.6 | 0 | 0 | 0 | 111.8 | A112 | A112-P114 VanDerWaalsContact O-CD 3.27Å; A112-P114 WeakPolarHBondContact O-CD 3.48Å | ||
| 115 | I | 46.3 | Very low | 41.5 | Very low | 161 Ų | 161 | 138.8 Ų | 138.8 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | trans | -55 | 144 | -179.3 | -62.8 | 161.2 | 0 | 0 | 0 | 112 | ||||
| 116 | P | 39 | Very low | 42 | Very low | 127 Ų | 127 | 143.2 Ų | 143.2 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -80.8 | 125 | 175.2 | 32.3 | -30.5 | 0 | 0 | 0 | 110.4 | ||
| 117 | G | 44.3 | Very low | 42.3 | Very low | 66 Ų | 66 | 141.4 Ų | 141.4 | 68% | 0.68 | 80% | 0.803 | S | S | * | * | trans | 146.7 | 128.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 118 | Q | 42.8 | Very low | 43 | Very low | 192 Ų | 192 | 138.7 Ų | 138.7 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | trans | 85.9 | 71.6 | 166.5 | -46.4 | -170.8 | 3.3 | 0 | 0 | 115.8 | ||||
| 119 | Y | 37.8 | Very low | 43.9 | Very low | 212 Ų | 212 | 133.4 Ų | 133.4 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | trans | -86.7 | 108.8 | 138.3 | 67 | -89.3 | 0 | 0 | 0 | 107.1 | A121 | Y119-A121 PolarHBondContact O-N 2.84Š| ||
| 120 | N | 42.2 | Very low | 45 | Very low | 140 Ų | 140 | 131 Ų | 131 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | trans | -76.2 | 98.1 | 169.6 | 51 | -3.9 | 0 | 0 | 0 | 108 | T122 | N120-T122 PolarHBondContact O-N 3.41Š| ||
| 121 | A | 45.1 | Very low | 45.5 | Very low | 78 Ų | 78 | 131 Ų | 131 | 65% | 0.645 | 79% | 0.789 | S | S | * | * | trans | -66.6 | 100.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y119 Q123 | Y119-A121 PolarHBondContact O-N 2.84Å; A121-Q123 VanDerWaalsContact C-N 3.27Å; A121-Q123 PolarHBondContact O-N 3.33Å | ||
| 122 | T | 44.7 | Very low | 47 | Very low | 113 Ų | 113 | 136 Ų | 136 | 69% | 0.693 | 79% | 0.788 | S | S | * | * | trans | -59 | 92.7 | 161.6 | -54 | 0 | 0 | 0 | 0 | 107.9 | N120 Q124 | N120-T122 PolarHBondContact O-N 3.41Å; T122-Q124 HydrophobicContact CG2-CG 4.27Å; T122-Q124 PolarHBondContact O-N 3.09Å | ||
| 123 | Q | 51.9 | Low | 48.7 | Very low | 183 Ų | 183 | 136.5 Ų | 136.5 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | trans | -68.3 | 98.5 | 165.1 | -80.3 | -160.7 | -17 | 0 | 0 | 108 | A121 Q125 | A121-Q123 VanDerWaalsContact C-N 3.27Å; A121-Q123 PolarHBondContact O-N 3.33Å; Q123-Q125 PolarHBondContact O-N 3.39Å; Q123-Q125 VanDerWaalsContact O-N 3.12Å | ||
| 124 | Q | 51.3 | Low | 50 | Low | 150 Ų | 150 | 135.8 Ų | 135.8 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | -69.4 | 107.2 | 160.9 | -69.2 | -179 | 6 | 0 | 0 | 107.6 | T122 W126 | T122-Q124 HydrophobicContact CG2-CG 4.27Å; T122-Q124 PolarHBondContact O-N 3.09Å; Q124-W126 PolarHBondContact O-N 3.4Å | ||
| 125 | Q | 50.1 | Low | 51.7 | Low | 186 Ų | 186 | 134.8 Ų | 134.8 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | trans | -58.6 | 102.6 | 174.3 | 177 | 179.1 | -2.8 | 0 | 0 | 110.5 | Q123 | Q123-Q125 PolarHBondContact O-N 3.39Å; Q123-Q125 VanDerWaalsContact O-N 3.12Å | ||
| 126 | W | 45.9 | Very low | 53.3 | Low | 224 Ų | 224 | 135.1 Ų | 135.1 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | trans | -98.8 | 125.6 | 160.3 | -68.6 | 87.1 | 0 | 0 | 0 | 108 | Q124 G128 | Q124-W126 PolarHBondContact O-N 3.4Å; W126-G128 PolarHBondContact O-N 3.12Å | ||
| 127 | G | 46.2 | Very low | 55.7 | Low | 76 Ų | 76 | 138.4 Ų | 138.4 | 78% | 0.784 | 77% | 0.767 | S | S | * | * | trans | -41.2 | 116.3 | -167.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | G129 | G127-G129 PolarHBondContact O-N 3.13Š| ||
| 128 | G | 43.4 | Very low | 57.8 | Low | 81 Ų | 81 | 137.4 Ų | 137.4 | 84% | 0.835 | 75% | 0.745 | S | S | * | * | trans | -65 | 100.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | W126 | W126-G128 PolarHBondContact O-N 3.12Š| ||
| 129 | G | 53.3 | Low | 60.2 | Low | 68 Ų | 68 | 133.8 Ų | 133.8 | 70% | 0.701 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 135.8 | 151 | 0 | 0 | 0 | 0 | 0 | 108.5 | G127 | G127-G129 PolarHBondContact O-N 3.13Š|
| 130 | A | 57.5 | Low | 62.8 | Low | 88 Ų | 88 | 124 Ų | 124 | 73% | 0.727 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 141.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | R132 | A130-R132 PolarHBondContact O-N 2.84Å; A130-R132 VanDerWaalsContact O-N 3.08Å |
| 131 | P | 58.5 | Low | 65.2 | Low | 124 Ų | 124 | 123.3 Ų | 123.3 | 81% | 0.805 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 121.9 | 176.3 | 21.9 | -31 | 0 | 0 | 0 | 108.8 | S133 | P131-S133 PolarHBondContact O-N 2.92Å; P131-S133 VanDerWaalsContact O-N 3.1Å |
| 132 | R | 63.6 | Low | 67.4 | Low | 230 Ų | 230 | 123.3 Ų | 123.3 | 87% | 0.868 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 119.6 | 175.4 | -76 | 179.3 | 150.6 | -173.2 | -4.7 | 107.8 | A130 | A130-R132 PolarHBondContact O-N 2.84Å; A130-R132 VanDerWaalsContact O-N 3.08Å |
| 133 | S | 71.6 | Confident | 69.7 | Low | 96 Ų | 96 | 126 Ų | 126 | 67% | 0.671 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -47.6 | 144 | 177.5 | -53.9 | 0 | 0 | 0 | 0 | 110.7 | P131 V135 | P131-S133 PolarHBondContact O-N 2.92Å; P131-S133 VanDerWaalsContact O-N 3.1Å; S133-V135 PolarHBondContact O-N 3.09Å |
| 134 | P | 75 | Confident | 71.5 | Confident | 132 Ų | 132 | 121 Ų | 121 | 86% | 0.857 | 69% | 0.685 | S | S | * | * | trans | -51.9 | 112.9 | 179.8 | -26.3 | 33.8 | 0 | 0 | 0 | 110.8 | K136 | P134-K136 PolarHBondContact O-N 3.24Å; P134-K136 VanDerWaalsContact O-N 3.15Å | ||
| 135 | V | 75.1 | Confident | 73.4 | Confident | 104 Ų | 104 | 114.5 Ų | 114.5 | 63% | 0.63 | 66% | 0.656 | S | S | * | * | trans | -71.3 | 113.6 | 180 | -176.9 | 0 | 0 | 0 | 0 | 107.5 | S133 R137 | S133-V135 PolarHBondContact O-N 3.09Å; V135-R137 PolarHBondContact O-N 2.97Å | ||
| 136 | K | 79.9 | Confident | 75.5 | Confident | 167 Ų | 167 | 112.3 Ų | 112.3 | 73% | 0.726 | 65% | 0.65 | S | S | * | * | trans | -58.5 | 120.2 | 174.1 | -172.3 | 172.1 | -176.1 | 172.6 | 0 | 109.1 | P134 | P134-K136 PolarHBondContact O-N 3.24Å; P134-K136 VanDerWaalsContact O-N 3.15Å | ||
| 137 | R | 88.5 | Confident | 77.7 | Confident | 196 Ų | 196 | 108.3 Ų | 108.3 | 74% | 0.74 | 64% | 0.635 | S | S | * | * | trans | -93.7 | 155.3 | 177.2 | -56.4 | -160.4 | -150.6 | 173.1 | 9.2 | 111.1 | V135 V148 Y149 | V135-R137 PolarHBondContact O-N 2.97Å; R137-V148 HydrophobicContact CB-CG1 3.71Å; R137-V148 HydrophobicContact CG-CG1 4.34Å; R137-Y149 CarbonylContact C-O 3.37Å | ||
| 138 | H | 90.2 | Very high | 79.9 | Confident | 46 Ų | 46 | 107.8 Ų | 107.8 | 21% | 0.213 | 62% | 0.616 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -127.8 | 106.2 | -176.6 | -63.8 | -81.4 | 0 | 0 | 0 | 109.5 | Y149 K151 S152 L155 | H138-Y149 WeakPolarHBondContact CB-O 3.45Å; H138-Y149 PolarHBondContact N-O 3.47Å; H138-Y149 PolarHBondContact O-N 2.79Å; H138-K151 VanDerWaalsContact CD2-C 3.41Å; H138-S152 PolarHBondContact CD2-N 3.1Å; H138-S152 PolarHBondContact NE2-N 3.08Å; H138-L155 HydrophobicContact CB-CB 3.96Å; H138-L155 HydrophobicContact CB-CD2 3.75Å; H138-L155 HydrophobicContact CB-CG 4.46Å |
| 139 | Q | 92.5 | Very high | 82.2 | Confident | 115 Ų | 115 | 106 Ų | 106 | 54% | 0.537 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.3 | 147.1 | -177.6 | -175.9 | 170.2 | 28.6 | 0 | 0 | 111.7 | V148 L155 | Q139-V148 HydrophobicContact CB-CG2 4.12Å; Q139-V148 HydrophobicContact CG-CG2 3.95Å; Q139-L155 VanDerWaalsContact O-CD2 3.27Å; Q139-L155 WeakPolarHBondContact O-CD2 3.15Å |
| 140 | C | 92.8 | Very high | 83.9 | Confident | 7 Ų | 7 | 104.9 Ų | 104.9 | 5% | 0.047 | 57% | 0.573 | C | S | . | * | trans | -69.5 | 136 | 169.9 | -162.7 | 0 | 0 | 0 | 0 | 110.9 | C145 R147 L155 H158 | C140-C145 HydrophobicContact CB-CB 4.32Å; C140-R147 PolarHBondContact N-O 3.43Å; C140-L155 HydrophobicContact CB-CD1 4.05Å; C140-H158 PolarHBondContact SG-NE2 2.83Å; C140-H158 VanDerWaalsContact SG-NE2 3.4Å | ||
| 141 | T | 92.1 | Very high | 85.3 | Confident | 126 Ų | 126 | 105.1 Ų | 105.1 | 77% | 0.773 | 56% | 0.558 | S | S | * | * | trans | -101.3 | 4.4 | -178.8 | 59.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 142 | F | 91.4 | Very high | 86.6 | Confident | 78 Ų | 78 | 102.7 Ų | 102.7 | 34% | 0.342 | 54% | 0.544 | S | S | . | . | S | Bend | trans | -77 | 138.3 | 177.6 | -82.9 | -98.2 | 0 | 0 | 0 | 110.3 | G144 C145 I159 H162 T163 | F142-G144 PolarHBondContact O-N 3.42Å; F142-C145 HydrophobicContact CB-CB 4.24Å; F142-C145 PolarHBondContact O-N 3.46Å; F142-C145 VanDerWaalsContact O-N 3.1Å; F142-I159 HydrophobicContact CE2-CB 4.47Å; F142-I159 HydrophobicContact CE2-CG1 4.26Å; F142-I159 HydrophobicContact CE2-CG2 3.81Å; F142-I159 HydrophobicContact CZ-CG2 4.36Å; F142-H162 HydrophobicContact CD1-CB 3.56Å; F142-H162 AromaticContact CD1-CG 3.71Å; F142-H162 HydrophobicContact CD2-CB 4.08Å; F142-H162 AromaticContact CD2-CD2 3.77Å; F142-H162 AromaticContact CD2-CG 3.94Å; F142-H162 HydrophobicContact CE1-CB 3.48Å; F142-H162 VanDerWaalsContact CE1-CB 3.48Å; F142-H162 HydrophobicContact CE2-CB 4.02Å; F142-H162 HydrophobicContact CG-CB 3.86Å; F142-H162 AromaticContact CG-CD2 3.76Å; F142-H162 AromaticContact CG-CG 3.59Å; F142-H162 AromaticContact CG-ND1 3.97Å; F142-H162 HydrophobicContact CZ-CB 3.72Å; F142-T163 HydrophobicContact CZ-CG2 4.03Å |
| 143 | D | 91.8 | Very high | 87.6 | Confident | 170 Ų | 170 | 95 Ų | 95 | 91% | 0.909 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 132.1 | 177.1 | -170.5 | 59.1 | 0 | 0 | 0 | 110.8 | C145 | D143-C145 PolarHBondContact O-N 3.44Š|
| 144 | G | 91.1 | Very high | 88.3 | Confident | 77 Ų | 77 | 95.1 Ų | 95.1 | 79% | 0.794 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.9 | 15.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | F142 | F142-G144 PolarHBondContact O-N 3.42Š|
| 145 | C | 91.7 | Very high | 88.9 | Confident | 14 Ų | 14 | 90 Ų | 90 | 10% | 0.095 | 48% | 0.481 | C | S | . | . | trans | -124.8 | 104.2 | 177.7 | -168.9 | 0 | 0 | 0 | 0 | 113.9 | C140 F142 D143 R147 H158 H162 | C140-C145 HydrophobicContact CB-CB 4.32Å; F142-C145 HydrophobicContact CB-CB 4.24Å; F142-C145 PolarHBondContact O-N 3.46Å; F142-C145 VanDerWaalsContact O-N 3.1Å; D143-C145 PolarHBondContact O-N 3.44Å; C145-R147 VanDerWaalsContact C-N 3.32Å; C145-R147 PolarHBondContact O-N 3.2Å; C145-H158 PolarHBondContact SG-NE2 3.1Å; C145-H162 PolarHBondContact SG-NE2 3.47Å; C145-H162 VanDerWaalsContact SG-NE2 3.37Å | ||
| 146 | D | 92.6 | Very high | 89.4 | Confident | 139 Ų | 139 | 91.8 Ų | 91.8 | 74% | 0.743 | 48% | 0.48 | S | S | * | . | trans | -91.3 | 19 | -177.6 | -59.8 | -45.7 | 0 | 0 | 0 | 114.4 | V148 | D146-V148 PolarHBondContact O-N 2.9Š| ||
| 147 | R | 92.8 | Very high | 89.6 | Confident | 141 Ų | 141 | 84.7 Ų | 84.7 | 53% | 0.532 | 45% | 0.452 | S | S | . | . | trans | -73.5 | 131.9 | -175.6 | -68 | -163.9 | -178.6 | 158 | -0.4 | 112.1 | C140 C145 Y149 | C140-R147 PolarHBondContact N-O 3.43Å; C145-R147 VanDerWaalsContact C-N 3.32Å; C145-R147 PolarHBondContact O-N 3.2Å; R147-Y149 HydrophobicContact CB-CE2 3.66Å; R147-Y149 WeakPolarHBondContact CD-OH 3.4Å | ||
| 148 | V | 92.8 | Very high | 89.5 | Confident | 65 Ų | 65 | 75.9 Ų | 75.9 | 39% | 0.394 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 136.5 | 178.4 | -174.8 | 0 | 0 | 0 | 0 | 110.4 | R137 Q139 D146 | R137-V148 HydrophobicContact CB-CG1 3.71Å; R137-V148 HydrophobicContact CG-CG1 4.34Å; Q139-V148 HydrophobicContact CB-CG2 4.12Å; Q139-V148 HydrophobicContact CG-CG2 3.95Å; D146-V148 PolarHBondContact O-N 2.9Å |
| 149 | Y | 90.6 | Very high | 89.5 | Confident | 42 Ų | 42 | 76.1 Ų | 76.1 | 17% | 0.165 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 138.5 | -174.9 | -61.4 | -85.1 | 0 | 0 | 0 | 110.9 | R137 H138 R147 K151 H154 L155 H158 | R137-Y149 CarbonylContact C-O 3.37Å; H138-Y149 WeakPolarHBondContact CB-O 3.45Å; H138-Y149 PolarHBondContact N-O 3.47Å; H138-Y149 PolarHBondContact O-N 2.79Å; R147-Y149 HydrophobicContact CB-CE2 3.66Å; R147-Y149 WeakPolarHBondContact CD-OH 3.4Å; Y149-K151 PolarHBondContact O-N 3.22Å; Y149-H154 HydrophobicContact CD1-CB 3.54Å; Y149-H154 HydrophobicContact CE1-CB 4.33Å; Y149-H154 HydrophobicContact CG-CB 4.04Å; Y149-L155 HydrophobicContact CD2-CB 3.81Å; Y149-L155 HydrophobicContact CD2-CD1 3.84Å; Y149-L155 HydrophobicContact CD2-CG 4.44Å; Y149-L155 HydrophobicContact CE2-CD1 4.09Å; Y149-L155 HydrophobicContact CG-CB 4.18Å; Y149-H158 HydrophobicContact CE1-CB 4.17Å; Y149-H158 HydrophobicContact CE2-CB 3.75Å; Y149-H158 AromaticContact CE2-CD2 3.35Å; Y149-H158 WeakPolarHBondContact CE2-CD2 3.25Å; Y149-H158 AromaticContact CE2-CG 3.69Å; Y149-H158 VanDerWaalsContact CZ-CB 3.44Å; Y149-H158 AromaticContact CZ-CD2 3.64Å; Y149-H158 AromaticContact CZ-CG 3.51Å; Y149-H158 WeakPolarHBondContact OH-CB 3.47Å; Y149-H158 PolarHBondContact OH-CD2 3.42Å; Y149-H158 VanDerWaalsContact OH-CD2 3.24Å; Y149-H158 PolarHBondContact OH-ND1 3.44Å |
| 150 | G | 89.4 | Confident | 89.2 | Confident | 46 Ų | 46 | 73.2 Ų | 73.2 | 47% | 0.474 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -74.2 | -10.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 151 | K | 87.6 | Confident | 88.9 | Confident | 93 Ų | 93 | 77.2 Ų | 77.2 | 40% | 0.404 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -133.7 | 137.7 | -179.8 | -63.9 | -175.6 | -179 | -177.8 | 0 | 110.6 | H138 Y149 S153 H154 L155 | H138-K151 VanDerWaalsContact CD2-C 3.41Å; Y149-K151 PolarHBondContact O-N 3.22Å; K151-S153 VanDerWaalsContact C-N 3.27Å; K151-S153 PolarHBondContact O-N 3.2Å; K151-H154 PolarHBondContact O-N 3.01Å; K151-L155 PolarHBondContact O-N 2.9Å |
| 152 | S | 86.4 | Confident | 88.7 | Confident | 72 Ų | 72 | 74.7 Ų | 74.7 | 50% | 0.503 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.1 | -34.7 | 177.4 | 60.3 | 0 | 0 | 0 | 0 | 112.8 | H138 H154 L155 K156 | H138-S152 PolarHBondContact CD2-N 3.1Å; H138-S152 PolarHBondContact NE2-N 3.08Å; S152-H154 VanDerWaalsContact C-N 3.31Å; S152-H154 PolarHBondContact O-N 3.09Å; S152-L155 PolarHBondContact O-N 3.05Å; S152-K156 PolarHBondContact O-N 3.22Å |
| 153 | S | 83.3 | Confident | 88.4 | Confident | 68 Ų | 68 | 74.2 Ų | 74.2 | 48% | 0.476 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.7 | -36.8 | 177 | 56.6 | 0 | 0 | 0 | 0 | 112.5 | K151 K156 A157 | K151-S153 VanDerWaalsContact C-N 3.27Å; K151-S153 PolarHBondContact O-N 3.2Å; S153-K156 PolarHBondContact O-N 3.17Å; S153-A157 WeakPolarHBondContact O-CB 3.46Å; S153-A157 PolarHBondContact O-N 3.13Å |
| 154 | H | 86.2 | Confident | 88.1 | Confident | 100 Ų | 100 | 68.5 Ų | 68.5 | 46% | 0.463 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -71.9 | -40.5 | 176.8 | -63.9 | 175.5 | 0 | 0 | 0 | 111.5 | Y149 K151 S152 A157 H158 | Y149-H154 HydrophobicContact CD1-CB 3.54Å; Y149-H154 HydrophobicContact CE1-CB 4.33Å; Y149-H154 HydrophobicContact CG-CB 4.04Å; K151-H154 PolarHBondContact O-N 3.01Å; S152-H154 VanDerWaalsContact C-N 3.31Å; S152-H154 PolarHBondContact O-N 3.09Å; H154-A157 PolarHBondContact O-N 3.36Å; H154-H158 WeakPolarHBondContact O-CB 3.41Å; H154-H158 PolarHBondContact O-N 2.87Å |
| 155 | L | 88.3 | Confident | 87.8 | Confident | 25 Ų | 25 | 70.4 Ų | 70.4 | 13% | 0.131 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59.8 | -47 | 172.3 | 172.8 | 61.5 | 0 | 0 | 0 | 110.8 | H138 Q139 C140 Y149 K151 S152 A157 H158 I159 | H138-L155 HydrophobicContact CB-CB 3.96Å; H138-L155 HydrophobicContact CB-CD2 3.75Å; H138-L155 HydrophobicContact CB-CG 4.46Å; Q139-L155 VanDerWaalsContact O-CD2 3.27Å; Q139-L155 WeakPolarHBondContact O-CD2 3.15Å; C140-L155 HydrophobicContact CB-CD1 4.05Å; Y149-L155 HydrophobicContact CD2-CB 3.81Å; Y149-L155 HydrophobicContact CD2-CD1 3.84Å; Y149-L155 HydrophobicContact CD2-CG 4.44Å; Y149-L155 HydrophobicContact CE2-CD1 4.09Å; Y149-L155 HydrophobicContact CG-CB 4.18Å; K151-L155 PolarHBondContact O-N 2.9Å; S152-L155 PolarHBondContact O-N 3.05Å; L155-A157 VanDerWaalsContact C-N 3.33Å; L155-A157 PolarHBondContact O-N 2.78Å; L155-H158 CarbonylContact O-C 3.24Å; L155-H158 WeakPolarHBondContact O-CB 3.46Å; L155-H158 PolarHBondContact O-N 3.38Å; L155-H158 VanDerWaalsContact O-N 3.11Å; L155-I159 HydrophobicContact CD1-CD1 4.11Å; L155-I159 HydrophobicContact CD1-CG1 4.14Å; L155-I159 HydrophobicContact CG-CD1 3.95Å; L155-I159 HydrophobicContact CG-CG1 4.45Å; L155-I159 WeakPolarHBondContact O-CG1 3.09Å; L155-I159 PolarHBondContact O-N 3.34Å |
| 156 | K | 86.3 | Confident | 87.4 | Confident | 140 Ų | 140 | 77.3 Ų | 77.3 | 61% | 0.609 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -60.2 | -42.4 | 177.7 | -177.2 | 176.3 | -73.6 | -174.1 | 0 | 112.1 | S152 S153 H158 I159 | S152-K156 PolarHBondContact O-N 3.22Å; S153-K156 PolarHBondContact O-N 3.17Å; K156-H158 VanDerWaalsContact C-N 3.32Å; K156-I159 PolarHBondContact O-N 3.03Å |
| 157 | A | 83.7 | Confident | 86.9 | Confident | 19 Ų | 19 | 73.9 Ų | 73.9 | 16% | 0.157 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.2 | -37.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | S153 H154 L155 R160 R181 | S153-A157 WeakPolarHBondContact O-CB 3.46Å; S153-A157 PolarHBondContact O-N 3.13Å; H154-A157 PolarHBondContact O-N 3.36Å; L155-A157 VanDerWaalsContact C-N 3.33Å; L155-A157 PolarHBondContact O-N 2.78Å; A157-R160 WeakPolarHBondContact O-CB 3.03Å; A157-R160 PolarHBondContact O-N 3.29Å; A157-R181 HydrophobicContact CB-CG 4.29Å |
| 158 | H | 86.9 | Confident | 86.5 | Confident | 10 Ų | 10 | 68.9 Ų | 68.9 | 5% | 0.046 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -67.6 | -39.5 | 174.8 | 167.7 | 51.3 | 0 | 0 | 0 | 112.8 | C140 C145 Y149 H154 L155 K156 R160 T161 H162 | C140-H158 PolarHBondContact SG-NE2 2.83Å; C140-H158 VanDerWaalsContact SG-NE2 3.4Å; C145-H158 PolarHBondContact SG-NE2 3.1Å; Y149-H158 HydrophobicContact CE1-CB 4.17Å; Y149-H158 HydrophobicContact CE2-CB 3.75Å; Y149-H158 AromaticContact CE2-CD2 3.35Å; Y149-H158 WeakPolarHBondContact CE2-CD2 3.25Å; Y149-H158 AromaticContact CE2-CG 3.69Å; Y149-H158 VanDerWaalsContact CZ-CB 3.44Å; Y149-H158 AromaticContact CZ-CD2 3.64Å; Y149-H158 AromaticContact CZ-CG 3.51Å; Y149-H158 WeakPolarHBondContact OH-CB 3.47Å; Y149-H158 PolarHBondContact OH-CD2 3.42Å; Y149-H158 VanDerWaalsContact OH-CD2 3.24Å; Y149-H158 PolarHBondContact OH-ND1 3.44Å; H154-H158 WeakPolarHBondContact O-CB 3.41Å; H154-H158 PolarHBondContact O-N 2.87Å; L155-H158 CarbonylContact O-C 3.24Å; L155-H158 WeakPolarHBondContact O-CB 3.46Å; L155-H158 PolarHBondContact O-N 3.38Å; L155-H158 VanDerWaalsContact O-N 3.11Å; K156-H158 VanDerWaalsContact C-N 3.32Å; H158-R160 PolarHBondContact O-N 2.85Å; H158-R160 VanDerWaalsContact O-N 3.08Å; H158-T161 PolarHBondContact ND1-OG1 2.67Å; H158-T161 VanDerWaalsContact ND1-OG1 3.15Å; H158-T161 WeakPolarHBondContact O-CA 3.21Å; H158-T161 WeakPolarHBondContact O-CB 3.23Å; H158-T161 WeakPolarHBondContact O-CG2 3.46Å; H158-T161 PolarHBondContact O-N 3.48Å; H158-T161 PolarHBondContact O-OG1 3.4Å; H158-H162 AromaticContact CE1-CD2 3.87Å; H158-H162 AromaticContact CE1-NE2 3.3Å; H158-H162 PolarHBondContact CE1-NE2 3.18Å; H158-H162 VanDerWaalsContact CE1-NE2 3.3Å; H158-H162 AromaticContact NE2-CD2 3.91Å; H158-H162 AromaticContact NE2-NE2 3.33Å; H158-H162 PolarHBondContact NE2-NE2 3.36Å |
| 159 | I | 88.5 | Confident | 86 | Confident | 51 Ų | 51 | 68.9 Ų | 68.9 | 26% | 0.262 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -54.9 | -32.7 | 177.6 | -74.5 | 165 | 0 | 0 | 0 | 111.4 | F142 L155 K156 T161 H162 T163 | F142-I159 HydrophobicContact CE2-CB 4.47Å; F142-I159 HydrophobicContact CE2-CG1 4.26Å; F142-I159 HydrophobicContact CE2-CG2 3.81Å; F142-I159 HydrophobicContact CZ-CG2 4.36Å; L155-I159 HydrophobicContact CD1-CD1 4.11Å; L155-I159 HydrophobicContact CD1-CG1 4.14Å; L155-I159 HydrophobicContact CG-CD1 3.95Å; L155-I159 HydrophobicContact CG-CG1 4.45Å; L155-I159 WeakPolarHBondContact O-CG1 3.09Å; L155-I159 PolarHBondContact O-N 3.34Å; K156-I159 PolarHBondContact O-N 3.03Å; I159-T161 PolarHBondContact O-N 3.01Å; I159-T161 VanDerWaalsContact O-N 3.13Å; I159-H162 WeakPolarHBondContact O-CB 3.39Å; I159-H162 PolarHBondContact O-N 2.81Å; I159-T163 HydrophobicContact CG2-CG2 4.13Å; I159-T163 PolarHBondContact O-N 3.23Å; I159-T163 VanDerWaalsContact O-N 3.09Å |
| 160 | R | 87.6 | Confident | 85.8 | Confident | 54 Ų | 54 | 67.6 Ų | 67.6 | 20% | 0.204 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61 | -20.7 | 174.1 | -60.6 | 178.8 | -176.8 | 135.1 | 4 | 114.1 | A157 H158 H162 T163 G164 E165 A180 | A157-R160 WeakPolarHBondContact O-CB 3.03Å; A157-R160 PolarHBondContact O-N 3.29Å; H158-R160 PolarHBondContact O-N 2.85Å; H158-R160 VanDerWaalsContact O-N 3.08Å; R160-H162 VanDerWaalsContact C-N 3.29Å; R160-T163 WeakPolarHBondContact CA-OG1 3.35Å; R160-G164 WeakPolarHBondContact O-CA 3.19Å; R160-G164 PolarHBondContact O-N 2.96Å; R160-E165 HydrophobicContact CG-CB 4.41Å; R160-A180 HydrophobicContact CB-CB 4.17Å; R160-A180 VanDerWaalsContact CD-O 3.29Å; R160-A180 WeakPolarHBondContact CD-O 3.39Å; R160-A180 PolarHBondContact NH1-O 3.34Å |
| 161 | T | 86.4 | Confident | 85.5 | Confident | 91 Ų | 91 | 70.1 Ų | 70.1 | 56% | 0.558 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -74.3 | -22.3 | 173.4 | 71.4 | 0 | 0 | 0 | 0 | 112.5 | H158 I159 | H158-T161 PolarHBondContact ND1-OG1 2.67Å; H158-T161 VanDerWaalsContact ND1-OG1 3.15Å; H158-T161 WeakPolarHBondContact O-CA 3.21Å; H158-T161 WeakPolarHBondContact O-CB 3.23Å; H158-T161 WeakPolarHBondContact O-CG2 3.46Å; H158-T161 PolarHBondContact O-N 3.48Å; H158-T161 PolarHBondContact O-OG1 3.4Å; I159-T161 PolarHBondContact O-N 3.01Å; I159-T161 VanDerWaalsContact O-N 3.13Å |
| 162 | H | 87.1 | Confident | 85.3 | Confident | 73 Ų | 73 | 69.7 Ų | 69.7 | 34% | 0.338 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -87.6 | -42.9 | 172.9 | -65.6 | -74 | 0 | 0 | 0 | 111.5 | F142 C145 H158 I159 R160 G164 | F142-H162 HydrophobicContact CD1-CB 3.56Å; F142-H162 AromaticContact CD1-CG 3.71Å; F142-H162 HydrophobicContact CD2-CB 4.08Å; F142-H162 AromaticContact CD2-CD2 3.77Å; F142-H162 AromaticContact CD2-CG 3.94Å; F142-H162 HydrophobicContact CE1-CB 3.48Å; F142-H162 VanDerWaalsContact CE1-CB 3.48Å; F142-H162 HydrophobicContact CE2-CB 4.02Å; F142-H162 HydrophobicContact CG-CB 3.86Å; F142-H162 AromaticContact CG-CD2 3.76Å; F142-H162 AromaticContact CG-CG 3.59Å; F142-H162 AromaticContact CG-ND1 3.97Å; F142-H162 HydrophobicContact CZ-CB 3.72Å; C145-H162 PolarHBondContact SG-NE2 3.47Å; C145-H162 VanDerWaalsContact SG-NE2 3.37Å; H158-H162 AromaticContact CE1-CD2 3.87Å; H158-H162 AromaticContact CE1-NE2 3.3Å; H158-H162 PolarHBondContact CE1-NE2 3.18Å; H158-H162 VanDerWaalsContact CE1-NE2 3.3Å; H158-H162 AromaticContact NE2-CD2 3.91Å; H158-H162 AromaticContact NE2-NE2 3.33Å; H158-H162 PolarHBondContact NE2-NE2 3.36Å; I159-H162 WeakPolarHBondContact O-CB 3.39Å; I159-H162 PolarHBondContact O-N 2.81Å; R160-H162 VanDerWaalsContact C-N 3.29Å; H162-G164 VanDerWaalsContact C-N 3.35Å |
| 163 | T | 86.5 | Confident | 85.1 | Confident | 68 Ų | 68 | 72.4 Ų | 72.4 | 42% | 0.417 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -79.9 | -17.3 | -177.8 | 64.6 | 0 | 0 | 0 | 0 | 113.6 | F142 I159 R160 E165 | F142-T163 HydrophobicContact CZ-CG2 4.03Å; I159-T163 HydrophobicContact CG2-CG2 4.13Å; I159-T163 PolarHBondContact O-N 3.23Å; I159-T163 VanDerWaalsContact O-N 3.09Å; R160-T163 WeakPolarHBondContact CA-OG1 3.35Å; T163-E165 PolarHBondContact O-N 3.39Å; T163-E165 PolarHBondContact OG1-N 3.2Å |
| 164 | G | 85 | Confident | 85.3 | Confident | 51 Ų | 51 | 75.2 Ų | 75.2 | 53% | 0.526 | 40% | 0.404 | S | S | . | . | trans | 73.6 | 5.2 | -177 | 0 | 0 | 0 | 0 | 0 | 114.3 | R160 H162 R166 | R160-G164 WeakPolarHBondContact O-CA 3.19Å; R160-G164 PolarHBondContact O-N 2.96Å; H162-G164 VanDerWaalsContact C-N 3.35Å; G164-R166 PolarHBondContact O-N 3.14Å | ||
| 165 | E | 84.4 | Confident | 85.2 | Confident | 116 Ų | 116 | 71.1 Ų | 71.1 | 54% | 0.542 | 39% | 0.386 | S | S | . | . | trans | -62.5 | 130.9 | 179.6 | -74.1 | -176.9 | 176.5 | 0 | 0 | 112 | R160 T163 | R160-E165 HydrophobicContact CG-CB 4.41Å; T163-E165 PolarHBondContact O-N 3.39Å; T163-E165 PolarHBondContact OG1-N 3.2Å | ||
| 166 | R | 83.6 | Confident | 85.3 | Confident | 160 Ų | 160 | 78.7 Ų | 78.7 | 60% | 0.604 | 42% | 0.421 | S | S | * | . | trans | -127.5 | 79.9 | 178.4 | -69.6 | 174.5 | 167.8 | -167.2 | 2.1 | 110.8 | G164 F168 K178 F179 | G164-R166 PolarHBondContact O-N 3.14Å; R166-F168 PolarHBondContact O-N 3.44Å; R166-K178 HydrophobicContact CB-CB 3.67Å; R166-K178 WeakPolarHBondContact CD-O 3.24Å; R166-F179 CarbonylContact C-O 3.57Å; R166-F179 VanDerWaalsContact C-O 3.24Å; R166-F179 VanDerWaalsContact CA-O 3.27Å; R166-F179 WeakPolarHBondContact CA-O 3.04Å | ||
| 167 | P | 81.8 | Confident | 85.2 | Confident | 67 Ų | 67 | 77.9 Ų | 77.9 | 44% | 0.435 | 42% | 0.417 | S | S | . | . | trans | -71.2 | -11.1 | -173.3 | -18.7 | 33.2 | 0 | 0 | 0 | 114.5 | P169 | P167-P169 WeakPolarHBondContact O-CD 3.16Š| ||
| 168 | F | 83.5 | Confident | 85.4 | Confident | 36 Ų | 36 | 82.5 Ų | 82.5 | 16% | 0.158 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 86.7 | -170.4 | -57.6 | -79.2 | 0 | 0 | 0 | 110.8 | L74 R166 K178 F179 A180 R181 L185 | L74-F168 HydrophobicContact CD2-CD1 3.98Å; L74-F168 HydrophobicContact CD2-CE1 4.12Å; R166-F168 PolarHBondContact O-N 3.44Å; F168-K178 CarbonylContact O-C 3.58Å; F168-K178 WeakPolarHBondContact O-CA 3.48Å; F168-F179 HydrophobicContact CB-CB 4.25Å; F168-F179 WeakPolarHBondContact CB-O 3.3Å; F168-F179 WeakPolarHBondContact CD2-O 3.37Å; F168-F179 PolarHBondContact N-O 3.19Å; F168-F179 PolarHBondContact O-N 3.34Å; F168-A180 WeakPolarHBondContact CE2-O 3.43Å; F168-R181 VanDerWaalsContact CD2-C 3.49Å; F168-L185 HydrophobicContact CB-CB 4.15Å; F168-L185 HydrophobicContact CB-CD2 3.95Å |
| 169 | P | 82.9 | Confident | 85.3 | Confident | 65 Ų | 65 | 83.9 Ų | 83.9 | 42% | 0.422 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 148.1 | 175.1 | 31.4 | -35 | 0 | 0 | 0 | 111.9 | P167 K178 L185 | P167-P169 WeakPolarHBondContact O-CD 3.16Å; P169-K178 HydrophobicContact CB-CG 4.12Å; P169-L185 WeakPolarHBondContact O-CD2 3.46Å |
| 170 | C | 85.4 | Confident | 85 | Confident | 14 Ų | 14 | 82.2 Ų | 82.2 | 10% | 0.095 | 43% | 0.434 | C | S | . | . | trans | -65.2 | 136.7 | 165.1 | -168.2 | 0 | 0 | 0 | 0 | 109.3 | C175 K177 L185 H188 | C170-C175 HydrophobicContact CB-CB 4.17Å; C170-K177 VanDerWaalsContact CB-O 3.3Å; C170-K177 WeakPolarHBondContact CB-O 3.45Å; C170-K177 PolarHBondContact N-O 2.76Å; C170-L185 HydrophobicContact CB-CD1 4.33Å; C170-H188 PolarHBondContact SG-NE2 2.89Å | ||
| 171 | T | 84.6 | Confident | 84.6 | Confident | 99 Ų | 99 | 83.7 Ų | 83.7 | 61% | 0.607 | 44% | 0.439 | S | S | * | . | trans | -93.9 | 0.9 | 179.2 | 58.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 172 | W | 83.1 | Confident | 84.3 | Confident | 84 Ų | 84 | 82.3 Ų | 82.3 | 32% | 0.318 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -80.2 | 129.3 | 179.7 | -161.7 | -77.1 | 0 | 0 | 0 | 109.8 | D174 C175 M189 H192 | W172-D174 VanDerWaalsContact C-N 3.29Å; W172-D174 PolarHBondContact NE1-OD1 3.06Å; W172-D174 PolarHBondContact NE1-OD2 2.77Å; W172-D174 VanDerWaalsContact NE1-OD2 3.12Å; W172-D174 PolarHBondContact O-N 3.13Å; W172-C175 HydrophobicContact CB-CB 3.99Å; W172-C175 WeakPolarHBondContact O-CB 3.41Å; W172-C175 PolarHBondContact O-N 3.34Å; W172-M189 HydrophobicContact CE3-CE 4.28Å; W172-H192 AromaticContact CD1-CE1 3.8Å; W172-H192 AromaticContact CD1-ND1 3.58Å; W172-H192 HydrophobicContact CD2-CB 3.76Å; W172-H192 AromaticContact CD2-CG 3.64Å; W172-H192 AromaticContact CD2-ND1 3.61Å; W172-H192 AromaticContact CE2-ND1 3.78Å; W172-H192 HydrophobicContact CE3-CB 3.57Å; W172-H192 AromaticContact CE3-CG 3.88Å; W172-H192 HydrophobicContact CG-CB 4.42Å; W172-H192 AromaticContact CG-CE1 3.72Å; W172-H192 AromaticContact CG-CG 3.79Å; W172-H192 AromaticContact CG-ND1 3.46Å; W172-H192 HydrophobicContact CH2-CB 4.08Å; W172-H192 HydrophobicContact CZ2-CB 4.25Å; W172-H192 HydrophobicContact CZ3-CB 3.75Å; W172-H192 AromaticContact NE1-ND1 3.71Å |
| 173 | S | 81.9 | Confident | 83.8 | Confident | 130 Ų | 130 | 82.5 Ų | 82.5 | 91% | 0.909 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -29.6 | -164 | -169.7 | 0 | 0 | 0 | 0 | 114.9 | C175 | S173-C175 VanDerWaalsContact C-N 3.34Š|
| 174 | D | 87.2 | Confident | 83.7 | Confident | 126 Ų | 126 | 81.2 Ų | 81.2 | 67% | 0.674 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 6.2 | 176.6 | 63.3 | 32.6 | 0 | 0 | 0 | 113.2 | W172 H192 | W172-D174 VanDerWaalsContact C-N 3.29Å; W172-D174 PolarHBondContact NE1-OD1 3.06Å; W172-D174 PolarHBondContact NE1-OD2 2.77Å; W172-D174 VanDerWaalsContact NE1-OD2 3.12Å; W172-D174 PolarHBondContact O-N 3.13Å; D174-H192 IonicContact OD1-CE1 3.68Å |
| 175 | C | 85.1 | Confident | 83.6 | Confident | 15 Ų | 15 | 79.4 Ų | 79.4 | 10% | 0.101 | 40% | 0.404 | C | S | . | . | trans | -123.5 | 109.4 | -171.2 | -161.4 | 0 | 0 | 0 | 0 | 113.1 | C170 W172 S173 K177 H188 | C170-C175 HydrophobicContact CB-CB 4.17Å; W172-C175 HydrophobicContact CB-CB 3.99Å; W172-C175 WeakPolarHBondContact O-CB 3.41Å; W172-C175 PolarHBondContact O-N 3.34Å; S173-C175 VanDerWaalsContact C-N 3.34Å; C175-K177 VanDerWaalsContact C-N 3.3Å; C175-K177 PolarHBondContact O-N 3.02Å; C175-H188 PolarHBondContact SG-NE2 3.37Å | ||
| 176 | E | 88.8 | Confident | 83.5 | Confident | 184 Ų | 184 | 75.4 Ų | 75.4 | 86% | 0.86 | 39% | 0.391 | S | S | * | . | trans | -90.2 | 10.2 | 179.8 | -60.5 | -178.6 | 175.5 | 0 | 0 | 113.7 | ||||
| 177 | K | 85.9 | Confident | 83.3 | Confident | 122 Ų | 122 | 71.7 Ų | 71.7 | 53% | 0.53 | 38% | 0.377 | S | S | . | . | trans | -70 | 135.8 | -173.9 | -70.6 | 177.8 | -178.3 | 169 | 0 | 111.3 | C170 C175 F179 | C170-K177 VanDerWaalsContact CB-O 3.3Å; C170-K177 WeakPolarHBondContact CB-O 3.45Å; C170-K177 PolarHBondContact N-O 2.76Å; C175-K177 VanDerWaalsContact C-N 3.3Å; C175-K177 PolarHBondContact O-N 3.02Å; K177-F179 HydrophobicContact CB-CE2 3.86Å; K177-F179 HydrophobicContact CB-CZ 3.91Å | ||
| 178 | K | 87.4 | Confident | 83.4 | Confident | 117 Ų | 117 | 69.2 Ų | 69.2 | 51% | 0.509 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 146.2 | 175.6 | -51.3 | -175.9 | -177.7 | 175.8 | 0 | 110.9 | R166 F168 P169 | R166-K178 HydrophobicContact CB-CB 3.67Å; R166-K178 WeakPolarHBondContact CD-O 3.24Å; F168-K178 CarbonylContact O-C 3.58Å; F168-K178 WeakPolarHBondContact O-CA 3.48Å; P169-K178 HydrophobicContact CB-CG 4.12Å |
| 179 | F | 83.7 | Confident | 83.3 | Confident | 38 Ų | 38 | 68.8 Ų | 68.8 | 17% | 0.167 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 152.9 | -174.8 | -57.9 | -86.8 | 0 | 0 | 0 | 111.6 | R166 F168 K177 E184 L185 H188 | R166-F179 CarbonylContact C-O 3.57Å; R166-F179 VanDerWaalsContact C-O 3.24Å; R166-F179 VanDerWaalsContact CA-O 3.27Å; R166-F179 WeakPolarHBondContact CA-O 3.04Å; F168-F179 HydrophobicContact CB-CB 4.25Å; F168-F179 WeakPolarHBondContact CB-O 3.3Å; F168-F179 WeakPolarHBondContact CD2-O 3.37Å; F168-F179 PolarHBondContact N-O 3.19Å; F168-F179 PolarHBondContact O-N 3.34Å; K177-F179 HydrophobicContact CB-CE2 3.86Å; K177-F179 HydrophobicContact CB-CZ 3.91Å; F179-E184 HydrophobicContact CB-CB 3.98Å; F179-E184 HydrophobicContact CD1-CB 3.8Å; F179-E184 HydrophobicContact CG-CB 4.12Å; F179-L185 HydrophobicContact CB-CB 4.34Å; F179-L185 HydrophobicContact CD2-CB 3.95Å; F179-L185 HydrophobicContact CD2-CD1 3.87Å; F179-L185 HydrophobicContact CE2-CD1 4.1Å; F179-L185 HydrophobicContact CG-CB 4.31Å; F179-H188 HydrophobicContact CE1-CB 3.95Å; F179-H188 HydrophobicContact CE2-CB 3.79Å; F179-H188 AromaticContact CE2-CD2 3.17Å; F179-H188 WeakPolarHBondContact CE2-CD2 3.3Å; F179-H188 AromaticContact CE2-CG 3.59Å; F179-H188 AromaticContact CE2-NE2 3.96Å; F179-H188 HydrophobicContact CZ-CB 3.38Å; F179-H188 AromaticContact CZ-CD2 3.31Å; F179-H188 WeakPolarHBondContact CZ-CD2 3.46Å; F179-H188 AromaticContact CZ-CG 3.24Å; F179-H188 AromaticContact CZ-ND1 3.97Å; F179-H188 AromaticContact CZ-NE2 3.98Å |
| 180 | A | 82.1 | Confident | 83.2 | Confident | 16 Ų | 16 | 69.1 Ų | 69.1 | 13% | 0.132 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -85.1 | -17.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | R160 F168 | R160-A180 HydrophobicContact CB-CB 4.17Å; R160-A180 VanDerWaalsContact CD-O 3.29Å; R160-A180 WeakPolarHBondContact CD-O 3.39Å; R160-A180 PolarHBondContact NH1-O 3.34Å; F168-A180 WeakPolarHBondContact CE2-O 3.43Å |
| 181 | R | 79.9 | Confident | 83 | Confident | 86 Ų | 86 | 72.1 Ų | 72.1 | 33% | 0.325 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -134.3 | 149.9 | -179.2 | -48.5 | -173.1 | -65.7 | 123.7 | 12.7 | 111.8 | A157 F168 D183 E184 L185 | A157-R181 HydrophobicContact CB-CG 4.29Å; F168-R181 VanDerWaalsContact CD2-C 3.49Å; R181-D183 WeakPolarHBondContact CB-OD1 3.38Å; R181-D183 IonicContact CZ-OD1 3.18Å; R181-D183 VanDerWaalsContact CZ-OD1 3.31Å; R181-D183 IonicContact CZ-OD2 3.41Å; R181-D183 IonicContact NE-OD1 3.1Å; R181-D183 VanDerWaalsContact NH1-CG 3.31Å; R181-D183 IonicContact NH1-OD1 2.67Å; R181-D183 PolarHBondContact NH1-OD1 2.78Å; R181-D183 VanDerWaalsContact NH1-OD1 3.12Å; R181-D183 IonicContact NH1-OD2 3.48Å; R181-D183 PolarHBondContact NH1-OD2 3.12Å; R181-D183 IonicContact NH2-OD1 3.12Å; R181-D183 IonicContact NH2-OD2 2.78Å; R181-D183 PolarHBondContact NH2-OD2 3.39Å; R181-E184 HydrophobicContact CB-CG 4.1Å; R181-E184 IonicContact CZ-OE1 2.83Å; R181-E184 VanDerWaalsContact CZ-OE1 3.22Å; R181-E184 PolarHBondContact N-OE2 3.38Å; R181-E184 IonicContact NE-OE1 3.31Å; R181-E184 PolarHBondContact NE-OE1 2.94Å; R181-E184 VanDerWaalsContact NH2-CG 3.27Å; R181-E184 IonicContact NH2-OE1 3.9Å; R181-E184 PolarHBondContact NH2-OE1 3.01Å; R181-E184 WeakPolarHBondContact O-CB 3.39Å; R181-E184 PolarHBondContact O-N 3.27Å; R181-L185 PolarHBondContact O-N 2.84Å |
| 182 | S | 79.6 | Confident | 82.8 | Confident | 61 Ų | 61 | 69.5 Ų | 69.5 | 43% | 0.427 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -69.8 | -34.5 | -178.8 | 54.7 | 0 | 0 | 0 | 0 | 113 | E184 L185 A186 | S182-E184 PolarHBondContact O-N 2.87Å; S182-L185 PolarHBondContact O-N 2.98Å; S182-A186 WeakPolarHBondContact O-CB 3.3Å; S182-A186 PolarHBondContact O-N 3.33Å |
| 183 | D | 78.1 | Confident | 82.5 | Confident | 77 Ų | 77 | 68.4 Ų | 68.4 | 41% | 0.412 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.7 | -31.2 | 175.7 | 64.2 | -55.9 | 0 | 0 | 0 | 112 | R181 R187 | R181-D183 WeakPolarHBondContact CB-OD1 3.38Å; R181-D183 IonicContact CZ-OD1 3.18Å; R181-D183 VanDerWaalsContact CZ-OD1 3.31Å; R181-D183 IonicContact CZ-OD2 3.41Å; R181-D183 IonicContact NE-OD1 3.1Å; R181-D183 VanDerWaalsContact NH1-CG 3.31Å; R181-D183 IonicContact NH1-OD1 2.67Å; R181-D183 PolarHBondContact NH1-OD1 2.78Å; R181-D183 VanDerWaalsContact NH1-OD1 3.12Å; R181-D183 IonicContact NH1-OD2 3.48Å; R181-D183 PolarHBondContact NH1-OD2 3.12Å; R181-D183 IonicContact NH2-OD1 3.12Å; R181-D183 IonicContact NH2-OD2 2.78Å; R181-D183 PolarHBondContact NH2-OD2 3.39Å; D183-R187 VanDerWaalsContact O-CB 3.3Å; D183-R187 WeakPolarHBondContact O-CB 3.07Å; D183-R187 PolarHBondContact O-N 3.35Å |
| 184 | E | 82.6 | Confident | 82.1 | Confident | 42 Ų | 42 | 64.3 Ų | 64.3 | 20% | 0.196 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -70.1 | -45.1 | 175.2 | -65.6 | 171.8 | 170.3 | 0 | 0 | 111.6 | F179 R181 S182 R187 H188 | F179-E184 HydrophobicContact CB-CB 3.98Å; F179-E184 HydrophobicContact CD1-CB 3.8Å; F179-E184 HydrophobicContact CG-CB 4.12Å; R181-E184 HydrophobicContact CB-CG 4.1Å; R181-E184 IonicContact CZ-OE1 2.83Å; R181-E184 VanDerWaalsContact CZ-OE1 3.22Å; R181-E184 PolarHBondContact N-OE2 3.38Å; R181-E184 IonicContact NE-OE1 3.31Å; R181-E184 PolarHBondContact NE-OE1 2.94Å; R181-E184 VanDerWaalsContact NH2-CG 3.27Å; R181-E184 IonicContact NH2-OE1 3.9Å; R181-E184 PolarHBondContact NH2-OE1 3.01Å; R181-E184 WeakPolarHBondContact O-CB 3.39Å; R181-E184 PolarHBondContact O-N 3.27Å; S182-E184 PolarHBondContact O-N 2.87Å; E184-R187 PolarHBondContact O-N 3.09Å; E184-H188 WeakPolarHBondContact O-CB 3.45Å; E184-H188 PolarHBondContact O-N 3.35Å |
| 185 | L | 84.7 | Confident | 81.4 | Confident | 13 Ų | 13 | 62.6 Ų | 62.6 | 7% | 0.068 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.3 | -49.9 | 173.3 | 173.3 | 60.9 | 0 | 0 | 0 | 110.5 | F168 P169 C170 F179 R181 S182 R187 H188 M189 | F168-L185 HydrophobicContact CB-CB 4.15Å; F168-L185 HydrophobicContact CB-CD2 3.95Å; P169-L185 WeakPolarHBondContact O-CD2 3.46Å; C170-L185 HydrophobicContact CB-CD1 4.33Å; F179-L185 HydrophobicContact CB-CB 4.34Å; F179-L185 HydrophobicContact CD2-CB 3.95Å; F179-L185 HydrophobicContact CD2-CD1 3.87Å; F179-L185 HydrophobicContact CE2-CD1 4.1Å; F179-L185 HydrophobicContact CG-CB 4.31Å; R181-L185 PolarHBondContact O-N 2.84Å; S182-L185 PolarHBondContact O-N 2.98Å; L185-R187 VanDerWaalsContact C-N 3.27Å; L185-R187 PolarHBondContact O-N 3.19Å; L185-H188 CarbonylContact O-C 3.59Å; L185-H188 WeakPolarHBondContact O-CA 3.34Å; L185-H188 WeakPolarHBondContact O-CB 3.38Å; L185-H188 PolarHBondContact O-N 2.76Å; L185-M189 HydrophobicContact CD1-CG 4.22Å; L185-M189 HydrophobicContact CD1-SD 4.04Å; L185-M189 HydrophobicContact CG-CG 4.5Å; L185-M189 WeakPolarHBondContact O-CG 3.15Å; L185-M189 PolarHBondContact O-N 3.12Å |
| 186 | A | 81.6 | Confident | 81 | Confident | 32 Ų | 32 | 67.2 Ų | 67.2 | 26% | 0.264 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.1 | -38.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S182 | S182-A186 WeakPolarHBondContact O-CB 3.3Å; S182-A186 PolarHBondContact O-N 3.33Å |
| 187 | R | 78.9 | Confident | 80.4 | Confident | 82 Ų | 82 | 64.2 Ų | 64.2 | 31% | 0.309 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -68.1 | -40.1 | 173.1 | -179.5 | -179.2 | 65.8 | 179.5 | -6.3 | 111.8 | D183 E184 L185 R190 R209 | D183-R187 VanDerWaalsContact O-CB 3.3Å; D183-R187 WeakPolarHBondContact O-CB 3.07Å; D183-R187 PolarHBondContact O-N 3.35Å; E184-R187 PolarHBondContact O-N 3.09Å; L185-R187 VanDerWaalsContact C-N 3.27Å; L185-R187 PolarHBondContact O-N 3.19Å; R187-R190 WeakPolarHBondContact O-CB 3.43Å; R187-R190 PolarHBondContact O-N 3.35Å; R187-R209 HydrophobicContact CG-CG 4.16Å; R187-R209 VanDerWaalsContact NH1-CZ 3.3Å |
| 188 | H | 84.6 | Confident | 80.2 | Confident | 15 Ų | 15 | 61.1 Ų | 61.1 | 7% | 0.069 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.6 | -39 | 176.9 | 168.7 | 52.2 | 0 | 0 | 0 | 112 | C170 C175 F179 E184 L185 R190 T191 H192 | C170-H188 PolarHBondContact SG-NE2 2.89Å; C175-H188 PolarHBondContact SG-NE2 3.37Å; F179-H188 HydrophobicContact CE1-CB 3.95Å; F179-H188 HydrophobicContact CE2-CB 3.79Å; F179-H188 AromaticContact CE2-CD2 3.17Å; F179-H188 WeakPolarHBondContact CE2-CD2 3.3Å; F179-H188 AromaticContact CE2-CG 3.59Å; F179-H188 AromaticContact CE2-NE2 3.96Å; F179-H188 HydrophobicContact CZ-CB 3.38Å; F179-H188 AromaticContact CZ-CD2 3.31Å; F179-H188 WeakPolarHBondContact CZ-CD2 3.46Å; F179-H188 AromaticContact CZ-CG 3.24Å; F179-H188 AromaticContact CZ-ND1 3.97Å; F179-H188 AromaticContact CZ-NE2 3.98Å; E184-H188 WeakPolarHBondContact O-CB 3.45Å; E184-H188 PolarHBondContact O-N 3.35Å; L185-H188 CarbonylContact O-C 3.59Å; L185-H188 WeakPolarHBondContact O-CA 3.34Å; L185-H188 WeakPolarHBondContact O-CB 3.38Å; L185-H188 PolarHBondContact O-N 2.76Å; H188-R190 PolarHBondContact O-N 2.94Å; H188-T191 PolarHBondContact ND1-OG1 2.75Å; H188-T191 WeakPolarHBondContact O-CB 3.46Å; H188-T191 PolarHBondContact O-N 3.26Å; H188-T191 PolarHBondContact O-OG1 3.04Å; H188-H192 AromaticContact CE1-CD2 3.97Å; H188-H192 AromaticContact CE1-NE2 3.35Å; H188-H192 PolarHBondContact CE1-NE2 3.17Å; H188-H192 VanDerWaalsContact CE1-NE2 3.35Å; H188-H192 AromaticContact NE2-CD2 3.99Å; H188-H192 AromaticContact NE2-NE2 3.33Å; H188-H192 PolarHBondContact NE2-NE2 3.15Å |
| 189 | M | 80.4 | Confident | 80.1 | Confident | 26 Ų | 26 | 58.7 Ų | 58.7 | 13% | 0.128 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -55.9 | -28.8 | 177.3 | -66.5 | -51.7 | -65.4 | 0 | 0 | 112.9 | W172 L185 T191 H192 T193 | W172-M189 HydrophobicContact CE3-CE 4.28Å; L185-M189 HydrophobicContact CD1-CG 4.22Å; L185-M189 HydrophobicContact CD1-SD 4.04Å; L185-M189 HydrophobicContact CG-CG 4.5Å; L185-M189 WeakPolarHBondContact O-CG 3.15Å; L185-M189 PolarHBondContact O-N 3.12Å; M189-T191 PolarHBondContact O-N 3.4Å; M189-H192 PolarHBondContact O-N 3.25Å; M189-H192 VanDerWaalsContact O-N 3.09Å; M189-T193 PolarHBondContact O-N 3.39Å |
| 190 | R | 80.3 | Confident | 80.2 | Confident | 73 Ų | 73 | 57 Ų | 57 | 28% | 0.275 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.2 | -19.9 | 174.7 | -56.3 | 178.5 | -167.2 | 143 | 7.7 | 113.6 | R187 H188 H192 T193 G194 M208 | R187-R190 WeakPolarHBondContact O-CB 3.43Å; R187-R190 PolarHBondContact O-N 3.35Å; H188-R190 PolarHBondContact O-N 2.94Å; R190-H192 VanDerWaalsContact C-N 3.31Å; R190-T193 PolarHBondContact O-OG1 3.44Å; R190-G194 PolarHBondContact O-N 2.75Å; R190-M208 VanDerWaalsContact C-SD 3.57Å; R190-M208 HydrophobicContact CB-CG 3.69Å; R190-M208 HydrophobicContact CB-SD 3.74Å; R190-M208 WeakPolarHBondContact O-CE 3.27Å |
| 191 | T | 81.7 | Confident | 80.3 | Confident | 76 Ų | 76 | 59.1 Ų | 59.1 | 47% | 0.466 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -73.2 | -26.7 | 174.4 | 67.7 | 0 | 0 | 0 | 0 | 112.5 | H188 M189 M208 | H188-T191 PolarHBondContact ND1-OG1 2.75Å; H188-T191 WeakPolarHBondContact O-CB 3.46Å; H188-T191 PolarHBondContact O-N 3.26Å; H188-T191 PolarHBondContact O-OG1 3.04Å; M189-T191 PolarHBondContact O-N 3.4Å; T191-M208 HydrophobicContact CG2-CE 4.27Å; T191-M208 HydrophobicContact CG2-SD 3.61Å |
| 192 | H | 80.5 | Confident | 80.7 | Confident | 45 Ų | 45 | 57.9 Ų | 57.9 | 21% | 0.208 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -78 | -37.8 | 174.6 | -68.1 | -73.8 | 0 | 0 | 0 | 111.6 | W172 D174 H188 M189 R190 | W172-H192 AromaticContact CD1-CE1 3.8Å; W172-H192 AromaticContact CD1-ND1 3.58Å; W172-H192 HydrophobicContact CD2-CB 3.76Å; W172-H192 AromaticContact CD2-CG 3.64Å; W172-H192 AromaticContact CD2-ND1 3.61Å; W172-H192 AromaticContact CE2-ND1 3.78Å; W172-H192 HydrophobicContact CE3-CB 3.57Å; W172-H192 AromaticContact CE3-CG 3.88Å; W172-H192 HydrophobicContact CG-CB 4.42Å; W172-H192 AromaticContact CG-CE1 3.72Å; W172-H192 AromaticContact CG-CG 3.79Å; W172-H192 AromaticContact CG-ND1 3.46Å; W172-H192 HydrophobicContact CH2-CB 4.08Å; W172-H192 HydrophobicContact CZ2-CB 4.25Å; W172-H192 HydrophobicContact CZ3-CB 3.75Å; W172-H192 AromaticContact NE1-ND1 3.71Å; D174-H192 IonicContact OD1-CE1 3.68Å; H188-H192 AromaticContact CE1-CD2 3.97Å; H188-H192 AromaticContact CE1-NE2 3.35Å; H188-H192 PolarHBondContact CE1-NE2 3.17Å; H188-H192 VanDerWaalsContact CE1-NE2 3.35Å; H188-H192 AromaticContact NE2-CD2 3.99Å; H188-H192 AromaticContact NE2-NE2 3.33Å; H188-H192 PolarHBondContact NE2-NE2 3.15Å; M189-H192 PolarHBondContact O-N 3.25Å; M189-H192 VanDerWaalsContact O-N 3.09Å; R190-H192 VanDerWaalsContact C-N 3.31Å |
| 193 | T | 76.8 | Confident | 81.1 | Confident | 61 Ų | 61 | 56.5 Ų | 56.5 | 37% | 0.374 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -83.9 | -13.3 | 179.9 | 64.4 | 0 | 0 | 0 | 0 | 113.9 | M189 R190 E195 | M189-T193 PolarHBondContact O-N 3.39Å; R190-T193 PolarHBondContact O-OG1 3.44Å; T193-E195 PolarHBondContact O-N 2.76Å; T193-E195 VanDerWaalsContact O-N 3.13Å |
| 194 | G | 73.8 | Confident | 81.4 | Confident | 43 Ų | 43 | 60.1 Ų | 60.1 | 44% | 0.443 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | 9.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | R190 K196 | R190-G194 PolarHBondContact O-N 2.75Å; G194-K196 PolarHBondContact O-N 2.88Å; G194-K196 VanDerWaalsContact O-N 3.17Å |
| 195 | E | 73.3 | Confident | 81.5 | Confident | 90 Ų | 90 | 64.4 Ų | 64.4 | 42% | 0.421 | 33% | 0.329 | S | S | . | . | trans | -67.4 | 113.7 | -171.6 | -163 | -165.8 | 167.8 | 0 | 0 | 112 | T193 R197 | T193-E195 PolarHBondContact O-N 2.76Å; T193-E195 VanDerWaalsContact O-N 3.13Å; E195-R197 VanDerWaalsContact CD-CD 3.44Å; E195-R197 VanDerWaalsContact CD-CG 3.45Å; E195-R197 HydrophobicContact CG-CG 3.68Å; E195-R197 WeakPolarHBondContact OE1-CD 3.17Å; E195-R197 WeakPolarHBondContact OE1-CG 3.31Å; E195-R197 IonicContact OE1-NE 3.01Å; E195-R197 PolarHBondContact OE1-NE 2.83Å | ||
| 196 | K | 75.4 | Confident | 81.5 | Confident | 113 Ų | 113 | 71 Ų | 71 | 49% | 0.491 | 35% | 0.353 | S | S | . | . | trans | -103.1 | 84.6 | 177.9 | -63.7 | 176.2 | -176.8 | 175.9 | 0 | 111.3 | G194 R206 F207 | G194-K196 PolarHBondContact O-N 2.88Å; G194-K196 VanDerWaalsContact O-N 3.17Å; K196-R206 HydrophobicContact CB-CB 3.59Å; K196-R206 HydrophobicContact CD-CB 4.17Å; K196-R206 HydrophobicContact CG-CB 4.49Å; K196-R206 PolarHBondContact O-NE 3.35Å; K196-R206 PolarHBondContact O-NH2 2.97Å; K196-F207 CarbonylContact C-O 3.59Å; K196-F207 WeakPolarHBondContact CA-O 3.09Å | ||
| 197 | R | 76.8 | Confident | 81.4 | Confident | 121 Ų | 121 | 71.4 Ų | 71.4 | 46% | 0.457 | 35% | 0.349 | S | S | . | . | trans | -77 | -21.9 | -172.2 | -54.2 | -176.6 | 80.1 | -142.6 | -5.8 | 114.5 | E195 F207 | E195-R197 VanDerWaalsContact CD-CD 3.44Å; E195-R197 VanDerWaalsContact CD-CG 3.45Å; E195-R197 HydrophobicContact CG-CG 3.68Å; E195-R197 WeakPolarHBondContact OE1-CD 3.17Å; E195-R197 WeakPolarHBondContact OE1-CG 3.31Å; E195-R197 IonicContact OE1-NE 3.01Å; E195-R197 PolarHBondContact OE1-NE 2.83Å; R197-F207 PolarHBondContact N-O 3.32Å | ||
| 198 | F | 81.4 | Confident | 81.4 | Confident | 57 Ų | 57 | 69.4 Ų | 69.4 | 25% | 0.25 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 103.7 | -169.7 | -60.7 | -79.1 | 0 | 0 | 0 | 110.7 | R206 F207 M208 L213 | F198-R206 CarbonylContact O-C 3.49Å; F198-R206 WeakPolarHBondContact O-CA 3.49Å; F198-F207 HydrophobicContact CB-CB 4.18Å; F198-F207 WeakPolarHBondContact CB-O 3.45Å; F198-F207 WeakPolarHBondContact CD2-O 3.21Å; F198-F207 PolarHBondContact N-O 2.77Å; F198-F207 PolarHBondContact O-N 3.5Å; F198-M208 WeakPolarHBondContact CE2-O 3.18Å; F198-L213 HydrophobicContact CB-CB 4.02Å; F198-L213 HydrophobicContact CB-CD2 3.79Å; F198-L213 HydrophobicContact CB-CG 4.49Å |
| 199 | L | 85.4 | Confident | 81.2 | Confident | 66 Ų | 66 | 71.8 Ų | 71.8 | 35% | 0.346 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 136 | 176.4 | 179.2 | 67.3 | 0 | 0 | 0 | 110.5 | R206 | L199-R206 HydrophobicContact CD1-CG 3.81Å |
| 200 | C | 86.4 | Confident | 81.3 | Confident | 3 Ų | 3 | 73.2 Ų | 73.2 | 2% | 0.02 | 36% | 0.364 | C | S | . | . | trans | -70.4 | 131.8 | 169.5 | -175.7 | 0 | 0 | 0 | 0 | 110.6 | L202 C203 K205 F207 L213 | C200-L202 PolarHBondContact O-N 3.36Å; C200-C203 CarbonylContact C-O 3.6Å; C200-C203 WeakPolarHBondContact CB-O 3.47Å; C200-C203 VanDerWaalsContact SG-SG 3.64Å; C200-K205 PolarHBondContact N-O 3.4Å; C200-F207 HydrophobicContact CB-CE2 4.36Å; C200-L213 VanDerWaalsContact CA-CD1 3.49Å; C200-L213 HydrophobicContact CB-CD1 3.74Å | ||
| 201 | P | 84.6 | Confident | 81.5 | Confident | 60 Ų | 60 | 72 Ų | 72 | 39% | 0.39 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -73.3 | -15.8 | 178.3 | 27.9 | -32.7 | 0 | 0 | 0 | 113.2 | M227 | P201-M227 HydrophobicContact CB-CB 4.41Å; P201-M227 HydrophobicContact CG-CB 3.9Å |
| 202 | L | 87 | Confident | 81.7 | Confident | 59 Ų | 59 | 72.1 Ų | 72.1 | 31% | 0.309 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -103.3 | -9.9 | -176.2 | -60.1 | 172.7 | 0 | 0 | 0 | 112.9 | C200 H220 D222 F223 M227 | C200-L202 PolarHBondContact O-N 3.36Å; L202-H220 HydrophobicContact CB-CB 4.42Å; L202-H220 HydrophobicContact CD1-CB 3.38Å; L202-D222 HydrophobicContact CD2-CB 4.46Å; L202-F223 HydrophobicContact CD1-CB 4.12Å; L202-M227 HydrophobicContact CD2-CE 4.48Å; L202-M227 HydrophobicContact CD2-SD 3.89Å; L202-M227 HydrophobicContact CG-SD 4.36Å |
| 203 | C | 89.3 | Confident | 82.1 | Confident | 33 Ų | 33 | 70.6 Ų | 70.6 | 22% | 0.223 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -159.5 | 163.5 | 175.4 | 70.3 | 0 | 0 | 0 | 0 | 111.3 | C200 K205 H216 | C200-C203 CarbonylContact C-O 3.6Å; C200-C203 WeakPolarHBondContact CB-O 3.47Å; C200-C203 VanDerWaalsContact SG-SG 3.64Å; C203-K205 PolarHBondContact O-N 3.43Å; C203-H216 PolarHBondContact SG-NE2 3.18Å |
| 204 | D | 84.4 | Confident | 82.6 | Confident | 152 Ų | 152 | 70.4 Ų | 70.4 | 81% | 0.813 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -76.7 | 13.8 | -175.6 | -59.5 | -47.4 | 0 | 0 | 0 | 115.1 | R206 | D204-R206 PolarHBondContact O-N 3.18Š|
| 205 | K | 84 | Confident | 83.4 | Confident | 132 Ų | 132 | 75.1 Ų | 75.1 | 57% | 0.574 | 36% | 0.356 | S | S | * | . | trans | -74.6 | 128.5 | -179.9 | -65.1 | -169.7 | -174.7 | -132 | 0 | 111 | C200 C203 F207 | C200-K205 PolarHBondContact N-O 3.4Å; C203-K205 PolarHBondContact O-N 3.43Å; K205-F207 HydrophobicContact CB-CE2 3.85Å; K205-F207 HydrophobicContact CB-CZ 4.01Å | ||
| 206 | R | 85.1 | Confident | 84.2 | Confident | 152 Ų | 152 | 72.5 Ų | 72.5 | 57% | 0.574 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 140.8 | 177.5 | -54.5 | 179.8 | 72.5 | -172.1 | 6.4 | 111.3 | K196 F198 L199 D204 | K196-R206 HydrophobicContact CB-CB 3.59Å; K196-R206 HydrophobicContact CD-CB 4.17Å; K196-R206 HydrophobicContact CG-CB 4.49Å; K196-R206 PolarHBondContact O-NE 3.35Å; K196-R206 PolarHBondContact O-NH2 2.97Å; F198-R206 CarbonylContact O-C 3.49Å; F198-R206 WeakPolarHBondContact O-CA 3.49Å; L199-R206 HydrophobicContact CD1-CG 3.81Å; D204-R206 PolarHBondContact O-N 3.18Å |
| 207 | F | 80.2 | Confident | 84.8 | Confident | 41 Ų | 41 | 67.1 Ų | 67.1 | 18% | 0.18 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 148.8 | -178.6 | -58.9 | -90.2 | 0 | 0 | 0 | 110.4 | K196 R197 F198 C200 K205 R209 H212 L213 H216 | K196-F207 CarbonylContact C-O 3.59Å; K196-F207 WeakPolarHBondContact CA-O 3.09Å; R197-F207 PolarHBondContact N-O 3.32Å; F198-F207 HydrophobicContact CB-CB 4.18Å; F198-F207 WeakPolarHBondContact CB-O 3.45Å; F198-F207 WeakPolarHBondContact CD2-O 3.21Å; F198-F207 PolarHBondContact N-O 2.77Å; F198-F207 PolarHBondContact O-N 3.5Å; C200-F207 HydrophobicContact CB-CE2 4.36Å; K205-F207 HydrophobicContact CB-CE2 3.85Å; K205-F207 HydrophobicContact CB-CZ 4.01Å; F207-R209 VanDerWaalsContact C-N 3.33Å; F207-H212 HydrophobicContact CD1-CB 4.03Å; F207-L213 HydrophobicContact CB-CB 4.19Å; F207-L213 HydrophobicContact CD2-CB 3.91Å; F207-L213 HydrophobicContact CD2-CD1 3.84Å; F207-L213 HydrophobicContact CD2-CG 4.48Å; F207-L213 HydrophobicContact CE2-CD1 4.06Å; F207-L213 HydrophobicContact CG-CB 4.16Å; F207-H216 HydrophobicContact CE1-CB 3.86Å; F207-H216 HydrophobicContact CE2-CB 4.01Å; F207-H216 AromaticContact CE2-CD2 3.41Å; F207-H216 VanDerWaalsContact CE2-CD2 3.41Å; F207-H216 WeakPolarHBondContact CE2-CD2 3.41Å; F207-H216 AromaticContact CE2-CG 3.71Å; F207-H216 HydrophobicContact CZ-CB 3.45Å; F207-H216 VanDerWaalsContact CZ-CB 3.45Å; F207-H216 AromaticContact CZ-CD2 3.36Å; F207-H216 WeakPolarHBondContact CZ-CD2 3.27Å; F207-H216 AromaticContact CZ-CG 3.18Å; F207-H216 AromaticContact CZ-ND1 3.71Å; F207-H216 AromaticContact CZ-NE2 3.94Å |
| 208 | M | 77.8 | Confident | 85.4 | Confident | 40 Ų | 40 | 70 Ų | 70 | 20% | 0.197 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -80 | -18.3 | 174.7 | -173.1 | -177.5 | -66.4 | 0 | 0 | 112.7 | R190 T191 F198 | R190-M208 VanDerWaalsContact C-SD 3.57Å; R190-M208 HydrophobicContact CB-CG 3.69Å; R190-M208 HydrophobicContact CB-SD 3.74Å; R190-M208 WeakPolarHBondContact O-CE 3.27Å; T191-M208 HydrophobicContact CG2-CE 4.27Å; T191-M208 HydrophobicContact CG2-SD 3.61Å; F198-M208 WeakPolarHBondContact CE2-O 3.18Å |
| 209 | R | 79.9 | Confident | 85.9 | Confident | 64 Ų | 64 | 77.5 Ų | 77.5 | 24% | 0.242 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -132.7 | 142.1 | -176.5 | -60.4 | 167.3 | 45.6 | 172.9 | -2.8 | 111.4 | R187 F207 D211 H212 L213 | R187-R209 HydrophobicContact CG-CG 4.16Å; R187-R209 VanDerWaalsContact NH1-CZ 3.3Å; F207-R209 VanDerWaalsContact C-N 3.33Å; R209-D211 WeakPolarHBondContact CB-OD1 3.35Å; R209-D211 IonicContact CZ-OD1 2.83Å; R209-D211 IonicContact CZ-OD2 3.22Å; R209-D211 IonicContact NE-OD1 2.77Å; R209-D211 PolarHBondContact NE-OD1 3.34Å; R209-D211 IonicContact NE-OD2 3.69Å; R209-D211 VanDerWaalsContact NH2-CG 3.29Å; R209-D211 IonicContact NH2-OD1 3.75Å; R209-D211 PolarHBondContact NH2-OD1 3.45Å; R209-D211 IonicContact NH2-OD2 2.88Å; R209-D211 PolarHBondContact NH2-OD2 2.91Å; R209-H212 HydrophobicContact CB-CB 4.36Å; R209-H212 WeakPolarHBondContact CD-CD2 3.49Å; R209-H212 PolarHBondContact O-N 3.19Å; R209-L213 PolarHBondContact O-N 2.88Å; R209-L213 VanDerWaalsContact O-N 3.1Å |
| 210 | S | 83.1 | Confident | 86 | Confident | 57 Ų | 57 | 76.4 Ų | 76.4 | 40% | 0.399 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.6 | -37.2 | 177.7 | 54 | 0 | 0 | 0 | 0 | 112.5 | H212 L213 I214 | S210-H212 VanDerWaalsContact C-N 3.33Å; S210-H212 PolarHBondContact O-N 3.09Å; S210-L213 CarbonylContact O-C 3.54Å; S210-L213 WeakPolarHBondContact O-CB 3.47Å; S210-L213 PolarHBondContact O-N 3.31Å; S210-I214 WeakPolarHBondContact O-CD1 3.42Å; S210-I214 VanDerWaalsContact O-CG1 3.25Å; S210-I214 WeakPolarHBondContact O-CG1 3.34Å; S210-I214 PolarHBondContact O-N 3.16Å |
| 211 | D | 83.8 | Confident | 86 | Confident | 47 Ų | 47 | 82 Ų | 82 | 25% | 0.251 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.6 | -35 | 179.7 | 68.5 | -64.1 | 0 | 0 | 0 | 112.2 | R209 I214 K215 | R209-D211 WeakPolarHBondContact CB-OD1 3.35Å; R209-D211 IonicContact CZ-OD1 2.83Å; R209-D211 IonicContact CZ-OD2 3.22Å; R209-D211 IonicContact NE-OD1 2.77Å; R209-D211 PolarHBondContact NE-OD1 3.34Å; R209-D211 IonicContact NE-OD2 3.69Å; R209-D211 VanDerWaalsContact NH2-CG 3.29Å; R209-D211 IonicContact NH2-OD1 3.75Å; R209-D211 PolarHBondContact NH2-OD1 3.45Å; R209-D211 IonicContact NH2-OD2 2.88Å; R209-D211 PolarHBondContact NH2-OD2 2.91Å; D211-I214 PolarHBondContact O-N 3.47Å; D211-K215 WeakPolarHBondContact O-CB 3.38Å; D211-K215 VanDerWaalsContact O-CG 3.29Å; D211-K215 WeakPolarHBondContact O-CG 3.36Å; D211-K215 PolarHBondContact O-N 3.34Å |
| 212 | H | 87.7 | Confident | 86 | Confident | 78 Ų | 78 | 84.6 Ų | 84.6 | 36% | 0.361 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -67.9 | -41.6 | 171.4 | -70.4 | -45.9 | 0 | 0 | 0 | 111.7 | F207 R209 S210 K215 H216 | F207-H212 HydrophobicContact CD1-CB 4.03Å; R209-H212 HydrophobicContact CB-CB 4.36Å; R209-H212 WeakPolarHBondContact CD-CD2 3.49Å; R209-H212 PolarHBondContact O-N 3.19Å; S210-H212 VanDerWaalsContact C-N 3.33Å; S210-H212 PolarHBondContact O-N 3.09Å; H212-K215 PolarHBondContact O-N 3.33Å; H212-H216 VanDerWaalsContact O-CB 3.27Å; H212-H216 WeakPolarHBondContact O-CB 3.43Å; H212-H216 PolarHBondContact O-N 3.4Å |
| 213 | L | 88.8 | Confident | 86 | Confident | 13 Ų | 13 | 83.3 Ų | 83.3 | 7% | 0.068 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -58.4 | -49.1 | 171.4 | 167.7 | 61.9 | 0 | 0 | 0 | 110.7 | F198 C200 F207 R209 S210 K215 H216 A217 L228 | F198-L213 HydrophobicContact CB-CB 4.02Å; F198-L213 HydrophobicContact CB-CD2 3.79Å; F198-L213 HydrophobicContact CB-CG 4.49Å; C200-L213 VanDerWaalsContact CA-CD1 3.49Å; C200-L213 HydrophobicContact CB-CD1 3.74Å; F207-L213 HydrophobicContact CB-CB 4.19Å; F207-L213 HydrophobicContact CD2-CB 3.91Å; F207-L213 HydrophobicContact CD2-CD1 3.84Å; F207-L213 HydrophobicContact CD2-CG 4.48Å; F207-L213 HydrophobicContact CE2-CD1 4.06Å; F207-L213 HydrophobicContact CG-CB 4.16Å; R209-L213 PolarHBondContact O-N 2.88Å; R209-L213 VanDerWaalsContact O-N 3.1Å; S210-L213 CarbonylContact O-C 3.54Å; S210-L213 WeakPolarHBondContact O-CB 3.47Å; S210-L213 PolarHBondContact O-N 3.31Å; L213-K215 PolarHBondContact O-N 3.14Å; L213-H216 CarbonylContact O-C 3.55Å; L213-H216 WeakPolarHBondContact O-CB 3.29Å; L213-H216 PolarHBondContact O-N 3.3Å; L213-A217 HydrophobicContact CD1-CB 4.4Å; L213-A217 WeakPolarHBondContact O-CB 3.46Å; L213-A217 PolarHBondContact O-N 3.33Å; L213-L228 HydrophobicContact CD2-CD2 3.92Å; L213-L228 HydrophobicContact CG-CD2 4.13Å |
| 214 | I | 87.6 | Confident | 85.6 | Confident | 58 Ų | 58 | 87 Ų | 87 | 30% | 0.297 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -58.9 | -47.7 | -179.5 | -69.7 | 156.8 | 0 | 0 | 0 | 110.7 | S210 D211 H216 A217 R218 L228 | S210-I214 WeakPolarHBondContact O-CD1 3.42Å; S210-I214 VanDerWaalsContact O-CG1 3.25Å; S210-I214 WeakPolarHBondContact O-CG1 3.34Å; S210-I214 PolarHBondContact O-N 3.16Å; D211-I214 PolarHBondContact O-N 3.47Å; I214-H216 VanDerWaalsContact C-N 3.31Å; I214-H216 PolarHBondContact O-N 2.87Å; I214-A217 PolarHBondContact O-N 3.15Å; I214-R218 VanDerWaalsContact O-CG 3.32Å; I214-R218 WeakPolarHBondContact O-CG 3.44Å; I214-R218 PolarHBondContact O-N 3.24Å; I214-L228 HydrophobicContact CB-CD1 4.32Å; I214-L228 HydrophobicContact CG1-CD1 3.51Å |
| 215 | K | 89.4 | Confident | 85.1 | Confident | 142 Ų | 142 | 84.3 Ų | 84.3 | 62% | 0.617 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -61.4 | -40.7 | 177.8 | -74.4 | 174.6 | -178.4 | 179 | 0 | 112.2 | D211 H212 L213 | D211-K215 WeakPolarHBondContact O-CB 3.38Å; D211-K215 VanDerWaalsContact O-CG 3.29Å; D211-K215 WeakPolarHBondContact O-CG 3.36Å; D211-K215 PolarHBondContact O-N 3.34Å; H212-K215 PolarHBondContact O-N 3.33Å; L213-K215 PolarHBondContact O-N 3.14Å |
| 216 | H | 90.8 | Very high | 84.9 | Confident | 35 Ų | 35 | 83 Ų | 83 | 16% | 0.162 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -66 | -47 | 174.7 | 169.7 | 72.4 | 0 | 0 | 0 | 111.6 | C203 F207 H212 L213 I214 R218 R219 H220 | C203-H216 PolarHBondContact SG-NE2 3.18Å; F207-H216 HydrophobicContact CE1-CB 3.86Å; F207-H216 HydrophobicContact CE2-CB 4.01Å; F207-H216 AromaticContact CE2-CD2 3.41Å; F207-H216 VanDerWaalsContact CE2-CD2 3.41Å; F207-H216 WeakPolarHBondContact CE2-CD2 3.41Å; F207-H216 AromaticContact CE2-CG 3.71Å; F207-H216 HydrophobicContact CZ-CB 3.45Å; F207-H216 VanDerWaalsContact CZ-CB 3.45Å; F207-H216 AromaticContact CZ-CD2 3.36Å; F207-H216 WeakPolarHBondContact CZ-CD2 3.27Å; F207-H216 AromaticContact CZ-CG 3.18Å; F207-H216 AromaticContact CZ-ND1 3.71Å; F207-H216 AromaticContact CZ-NE2 3.94Å; H212-H216 VanDerWaalsContact O-CB 3.27Å; H212-H216 WeakPolarHBondContact O-CB 3.43Å; H212-H216 PolarHBondContact O-N 3.4Å; L213-H216 CarbonylContact O-C 3.55Å; L213-H216 WeakPolarHBondContact O-CB 3.29Å; L213-H216 PolarHBondContact O-N 3.3Å; I214-H216 VanDerWaalsContact C-N 3.31Å; I214-H216 PolarHBondContact O-N 2.87Å; H216-R218 VanDerWaalsContact C-N 3.31Å; H216-R218 PolarHBondContact O-N 2.75Å; H216-R219 VanDerWaalsContact O-CB 3.26Å; H216-R219 WeakPolarHBondContact O-CB 3.4Å; H216-R219 PolarHBondContact O-N 3.32Å; H216-H220 AromaticContact CD2-NE2 3.69Å; H216-H220 AromaticContact CE1-NE2 3.44Å; H216-H220 PolarHBondContact CE1-NE2 3.08Å; H216-H220 AromaticContact NE2-CD2 3.87Å; H216-H220 AromaticContact NE2-CE1 3.95Å; H216-H220 AromaticContact NE2-NE2 2.96Å; H216-H220 PolarHBondContact NE2-NE2 2.8Å |
| 217 | A | 87.9 | Confident | 84.2 | Confident | 0 Ų | 0 | 79.7 Ų | 79.7 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.6 | -42.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | L213 I214 R219 H220 F223 | L213-A217 HydrophobicContact CD1-CB 4.4Å; L213-A217 WeakPolarHBondContact O-CB 3.46Å; L213-A217 PolarHBondContact O-N 3.33Å; I214-A217 PolarHBondContact O-N 3.15Å; A217-R219 PolarHBondContact O-N 3.28Å; A217-H220 WeakPolarHBondContact O-CB 3.45Å; A217-H220 PolarHBondContact O-CD2 3.41Å; A217-H220 PolarHBondContact O-N 2.83Å; A217-F223 VanDerWaalsContact C-CD2 3.49Å; A217-F223 VanDerWaalsContact C-CG 3.45Å; A217-F223 HydrophobicContact CB-CD2 3.37Å; A217-F223 HydrophobicContact CB-CE2 3.27Å; A217-F223 HydrophobicContact CB-CG 4.25Å; A217-F223 HydrophobicContact CB-CZ 4.08Å; A217-F223 WeakPolarHBondContact O-CB 3.1Å; A217-F223 VanDerWaalsContact O-CG 3.23Å; A217-F223 WeakPolarHBondContact O-CG 3.45Å |
| 218 | R | 89.5 | Confident | 83.8 | Confident | 181 Ų | 181 | 80.5 Ų | 80.5 | 68% | 0.683 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -16.9 | 173.2 | -74.2 | 178.1 | -172.3 | -163.9 | 0.5 | 115.7 | I214 H216 H220 F223 | I214-R218 VanDerWaalsContact O-CG 3.32Å; I214-R218 WeakPolarHBondContact O-CG 3.44Å; I214-R218 PolarHBondContact O-N 3.24Å; H216-R218 VanDerWaalsContact C-N 3.31Å; H216-R218 PolarHBondContact O-N 2.75Å; R218-H220 VanDerWaalsContact C-N 3.35Å; R218-F223 HydrophobicContact CB-CD1 4.27Å; R218-F223 HydrophobicContact CB-CE1 4.39Å; R218-F223 HydrophobicContact CG-CD1 3.8Å; R218-F223 HydrophobicContact CG-CE1 3.48Å; R218-F223 VanDerWaalsContact CG-CE1 3.48Å; R218-F223 HydrophobicContact CG-CZ 4.23Å |
| 219 | R | 90.8 | Very high | 82.8 | Confident | 214 Ų | 214 | 81 Ų | 81 | 81% | 0.808 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -19.6 | 175.1 | -172.6 | 179.3 | -68.9 | 178.3 | -3.7 | 112.1 | H216 A217 | H216-R219 VanDerWaalsContact O-CB 3.26Å; H216-R219 WeakPolarHBondContact O-CB 3.4Å; H216-R219 PolarHBondContact O-N 3.32Å; A217-R219 PolarHBondContact O-N 3.28Å |
| 220 | H | 88.2 | Confident | 81.2 | Confident | 43 Ų | 43 | 88.8 Ų | 88.8 | 20% | 0.199 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -75.7 | 138.2 | 176.7 | -67.1 | -91.6 | 0 | 0 | 0 | 110.1 | L202 H216 A217 R218 D222 F223 | L202-H220 HydrophobicContact CB-CB 4.42Å; L202-H220 HydrophobicContact CD1-CB 3.38Å; H216-H220 AromaticContact CD2-NE2 3.69Å; H216-H220 AromaticContact CE1-NE2 3.44Å; H216-H220 PolarHBondContact CE1-NE2 3.08Å; H216-H220 AromaticContact NE2-CD2 3.87Å; H216-H220 AromaticContact NE2-CE1 3.95Å; H216-H220 AromaticContact NE2-NE2 2.96Å; H216-H220 PolarHBondContact NE2-NE2 2.8Å; A217-H220 WeakPolarHBondContact O-CB 3.45Å; A217-H220 PolarHBondContact O-CD2 3.41Å; A217-H220 PolarHBondContact O-N 2.83Å; R218-H220 VanDerWaalsContact C-N 3.35Å; H220-D222 VanDerWaalsContact C-N 3.29Å; H220-D222 PolarHBondContact O-N 3.11Å; H220-F223 HydrophobicContact CB-CB 4.3Å; H220-F223 VanDerWaalsContact O-CB 3.28Å; H220-F223 WeakPolarHBondContact O-CB 3.3Å; H220-F223 PolarHBondContact O-N 3.4Å |
| 221 | P | 85.9 | Confident | 79.2 | Confident | 122 Ų | 122 | 93.6 Ų | 93.6 | 79% | 0.792 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -36.5 | -180 | 23.9 | -32 | 0 | 0 | 0 | 112.2 | F223 | P221-F223 VanDerWaalsContact C-N 3.25Å; P221-F223 PolarHBondContact O-N 3.34Å |
| 222 | D | 84.9 | Confident | 76.9 | Confident | 114 Ų | 114 | 95.9 Ų | 95.9 | 61% | 0.61 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | 16.2 | -178.2 | -52.6 | -54.5 | 0 | 0 | 0 | 113.3 | L202 H220 Q224 M227 | L202-D222 HydrophobicContact CD2-CB 4.46Å; H220-D222 VanDerWaalsContact C-N 3.29Å; H220-D222 PolarHBondContact O-N 3.11Å; D222-Q224 PolarHBondContact O-N 2.86Å; D222-Q224 VanDerWaalsContact O-N 3.17Å; D222-M227 WeakPolarHBondContact O-CE 3.45Å |
| 223 | F | 86.6 | Confident | 74.6 | Confident | 31 Ų | 31 | 96.9 Ų | 96.9 | 14% | 0.136 | 49% | 0.494 | C | S | . | . | trans | -70.1 | 114.3 | -178.3 | 176.3 | -106.3 | 0 | 0 | 0 | 112.3 | L202 A217 R218 H220 P221 P225 L228 | L202-F223 HydrophobicContact CD1-CB 4.12Å; A217-F223 VanDerWaalsContact C-CD2 3.49Å; A217-F223 VanDerWaalsContact C-CG 3.45Å; A217-F223 HydrophobicContact CB-CD2 3.37Å; A217-F223 HydrophobicContact CB-CE2 3.27Å; A217-F223 HydrophobicContact CB-CG 4.25Å; A217-F223 HydrophobicContact CB-CZ 4.08Å; A217-F223 WeakPolarHBondContact O-CB 3.1Å; A217-F223 VanDerWaalsContact O-CG 3.23Å; A217-F223 WeakPolarHBondContact O-CG 3.45Å; R218-F223 HydrophobicContact CB-CD1 4.27Å; R218-F223 HydrophobicContact CB-CE1 4.39Å; R218-F223 HydrophobicContact CG-CD1 3.8Å; R218-F223 HydrophobicContact CG-CE1 3.48Å; R218-F223 VanDerWaalsContact CG-CE1 3.48Å; R218-F223 HydrophobicContact CG-CZ 4.23Å; H220-F223 HydrophobicContact CB-CB 4.3Å; H220-F223 VanDerWaalsContact O-CB 3.28Å; H220-F223 WeakPolarHBondContact O-CB 3.3Å; H220-F223 PolarHBondContact O-N 3.4Å; P221-F223 VanDerWaalsContact C-N 3.25Å; P221-F223 PolarHBondContact O-N 3.34Å; F223-P225 HydrophobicContact CE1-CG 4.36Å; F223-L228 HydrophobicContact CE2-CD1 3.71Å; F223-L228 HydrophobicContact CE2-CD2 4.32Å; F223-L228 HydrophobicContact CE2-CG 3.86Å; F223-L228 HydrophobicContact CZ-CD1 3.62Å; F223-L228 HydrophobicContact CZ-CG 4.21Å | ||
| 224 | Q | 82.1 | Confident | 72.2 | Confident | 111 Ų | 111 | 101.3 Ų | 101.3 | 52% | 0.519 | 53% | 0.526 | S | S | . | . | trans | -109.5 | 132 | 168.5 | -62.5 | -68.3 | 0.5 | 0 | 0 | 110.5 | D222 S226 M227 | D222-Q224 PolarHBondContact O-N 2.86Å; D222-Q224 VanDerWaalsContact O-N 3.17Å; Q224-S226 PolarHBondContact O-N 3.44Å; Q224-M227 HydrophobicContact CB-CE 4.05Å; Q224-M227 HydrophobicContact CB-CG 4.13Å; Q224-M227 HydrophobicContact CB-SD 4.4Å; Q224-M227 HydrophobicContact CG-CE 4.09Å; Q224-M227 WeakPolarHBondContact O-CB 3.39Å; Q224-M227 PolarHBondContact O-N 2.91Å | ||
| 225 | P | 73.6 | Confident | 70 | Confident | 95 Ų | 95 | 103.9 Ų | 103.9 | 62% | 0.617 | 55% | 0.55 | S | S | * | . | G | 310 helix | trans | -54.7 | -28.4 | 178.6 | -27.4 | 34.8 | 0 | 0 | 0 | 114.4 | F223 M227 L228 | F223-P225 HydrophobicContact CE1-CG 4.36Å; P225-M227 PolarHBondContact O-N 3.03Å; P225-L228 PolarHBondContact O-N 2.8Å |
| 226 | S | 79.1 | Confident | 67.4 | Low | 106 Ų | 106 | 100.6 Ų | 100.6 | 74% | 0.741 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -63.9 | -23.4 | 176.9 | 56.3 | 0 | 0 | 0 | 0 | 113.9 | Q224 L228 | Q224-S226 PolarHBondContact O-N 3.44Å; S226-L228 PolarHBondContact O-N 2.77Å |
| 227 | M | 71.6 | Confident | 65 | Low | 82 Ų | 82 | 104.4 Ų | 104.4 | 40% | 0.404 | 59% | 0.587 | S | S | . | * | G | 310 helix | trans | -71.9 | -13.3 | 179.5 | -60.4 | -178 | 179.9 | 0 | 0 | 113 | P201 L202 D222 Q224 P225 G229 | P201-M227 HydrophobicContact CB-CB 4.41Å; P201-M227 HydrophobicContact CG-CB 3.9Å; L202-M227 HydrophobicContact CD2-CE 4.48Å; L202-M227 HydrophobicContact CD2-SD 3.89Å; L202-M227 HydrophobicContact CG-SD 4.36Å; D222-M227 WeakPolarHBondContact O-CE 3.45Å; Q224-M227 HydrophobicContact CB-CE 4.05Å; Q224-M227 HydrophobicContact CB-CG 4.13Å; Q224-M227 HydrophobicContact CB-SD 4.4Å; Q224-M227 HydrophobicContact CG-CE 4.09Å; Q224-M227 WeakPolarHBondContact O-CB 3.39Å; Q224-M227 PolarHBondContact O-N 2.91Å; P225-M227 PolarHBondContact O-N 3.03Å; M227-G229 VanDerWaalsContact C-N 3.27Å; M227-G229 PolarHBondContact O-N 3.06Å |
| 228 | L | 70.5 | Confident | 62.7 | Low | 57 Ų | 57 | 112.9 Ų | 112.9 | 30% | 0.298 | 63% | 0.627 | S | S | . | * | trans | -90.4 | 56.8 | 177.6 | -61.1 | 178.3 | 0 | 0 | 0 | 111.3 | L213 I214 F223 P225 S226 | L213-L228 HydrophobicContact CD2-CD2 3.92Å; L213-L228 HydrophobicContact CG-CD2 4.13Å; I214-L228 HydrophobicContact CB-CD1 4.32Å; I214-L228 HydrophobicContact CG1-CD1 3.51Å; F223-L228 HydrophobicContact CE2-CD1 3.71Å; F223-L228 HydrophobicContact CE2-CD2 4.32Å; F223-L228 HydrophobicContact CE2-CG 3.86Å; F223-L228 HydrophobicContact CZ-CD1 3.62Å; F223-L228 HydrophobicContact CZ-CG 4.21Å; P225-L228 PolarHBondContact O-N 2.8Å; S226-L228 PolarHBondContact O-N 2.77Å | ||
| 229 | G | 57.2 | Low | 60.3 | Low | 52 Ų | 52 | 107.7 Ų | 107.7 | 54% | 0.536 | 63% | 0.629 | S | S | . | * | trans | -72.1 | 138.4 | 172 | 0 | 0 | 0 | 0 | 0 | 112.1 | M227 K231 | M227-G229 VanDerWaalsContact C-N 3.27Å; M227-G229 PolarHBondContact O-N 3.06Å; G229-K231 PolarHBondContact O-N 3.41Å | ||
| 230 | R | 46 | Very low | 57.8 | Low | 226 Ų | 226 | 103.9 Ų | 103.9 | 85% | 0.853 | 63% | 0.629 | S | S | * | * | trans | -63.1 | 93.8 | 167.9 | -86.2 | -178.8 | 163.4 | -140.1 | 2.5 | 109.1 | S232 | R230-S232 VanDerWaalsContact C-N 3.28Å; R230-S232 PolarHBondContact O-N 3.1Å | ||
| 231 | K | 41.6 | Very low | 55.4 | Low | 159 Ų | 159 | 107.3 Ų | 107.3 | 69% | 0.691 | 66% | 0.658 | S | S | * | * | trans | -75.7 | 90.3 | 158.1 | 22.5 | -173.7 | 169.1 | -159.2 | 0 | 107.6 | G229 S233 | G229-K231 PolarHBondContact O-N 3.41Å; K231-S233 PolarHBondContact O-N 3.22Å; K231-S233 VanDerWaalsContact O-N 3.15Å | ||
| 232 | S | 34.9 | Very low | 53.2 | Low | 94 Ų | 94 | 107 Ų | 107 | 66% | 0.657 | 66% | 0.659 | S | S | * | * | trans | -54.8 | 113.1 | 157.1 | -51.6 | 0 | 0 | 0 | 0 | 105.9 | R230 S234 | R230-S232 VanDerWaalsContact C-N 3.28Å; R230-S232 PolarHBondContact O-N 3.1Å; S232-S234 PolarHBondContact O-N 3.37Å | ||
| 233 | S | 40.5 | Very low | 51.5 | Low | 99 Ų | 99 | 107.3 Ų | 107.3 | 69% | 0.692 | 67% | 0.667 | S | S | * | * | trans | -66.3 | 79.8 | 168.9 | 44.2 | 0 | 0 | 0 | 0 | 108 | K231 S235 | K231-S233 PolarHBondContact O-N 3.22Å; K231-S233 VanDerWaalsContact O-N 3.15Å; S233-S235 PolarHBondContact O-N 3.49Å | ||
| 234 | S | 38.7 | Very low | 49.5 | Very low | 106 Ų | 106 | 110.7 Ų | 110.7 | 74% | 0.741 | 70% | 0.701 | S | S | * | * | trans | -71.5 | 104.5 | 159.4 | 53.6 | 0 | 0 | 0 | 0 | 106 | S232 G236 | S232-S234 PolarHBondContact O-N 3.37Å; S234-G236 PolarHBondContact O-N 2.92Å | ||
| 235 | S | 39.5 | Very low | 48 | Very low | 113 Ų | 113 | 114.8 Ų | 114.8 | 79% | 0.79 | 72% | 0.722 | S | S | * | * | trans | -52.6 | 106.7 | 163.9 | 46.1 | 0 | 0 | 0 | 0 | 108.3 | S233 S237 | S233-S235 PolarHBondContact O-N 3.49Å; S235-S237 PolarHBondContact O-N 3.09Å | ||
| 236 | G | 36.3 | Very low | 46.9 | Very low | 73 Ų | 73 | 113.4 Ų | 113.4 | 75% | 0.753 | 73% | 0.725 | S | S | * | * | trans | -66.5 | 101.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | S234 Q238 | S234-G236 PolarHBondContact O-N 2.92Å; G236-Q238 VanDerWaalsContact C-N 3.35Å; G236-Q238 PolarHBondContact O-N 3.13Å | ||
| 237 | S | 39 | Very low | 45.3 | Very low | 115 Ų | 115 | 121.5 Ų | 121.5 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | trans | -73.8 | 96.4 | 158.5 | 51.7 | 0 | 0 | 0 | 0 | 106.7 | S235 G239 | S235-S237 PolarHBondContact O-N 3.09Å; S237-G239 PolarHBondContact O-N 3.5Å | ||
| 238 | Q | 41.3 | Very low | 44 | Very low | 178 Ų | 178 | 123.5 Ų | 123.5 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | trans | -58.5 | 117.8 | 161.2 | -72.2 | -171.2 | -15.6 | 0 | 0 | 107.2 | G236 V240 | G236-Q238 VanDerWaalsContact C-N 3.35Å; G236-Q238 PolarHBondContact O-N 3.13Å; Q238-V240 PolarHBondContact O-N 2.93Å; Q238-V240 VanDerWaalsContact O-N 3.17Å | ||
| 239 | G | 38.3 | Very low | 42.6 | Very low | 71 Ų | 71 | 127 Ų | 127 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | trans | -63 | 111.9 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108 | S237 S241 | S237-G239 PolarHBondContact O-N 3.5Å; G239-S241 PolarHBondContact O-N 3.43Å | ||
| 240 | V | 38.5 | Very low | 41.8 | Very low | 134 Ų | 134 | 131.2 Ų | 131.2 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | trans | -80.4 | 109.8 | 165.6 | -72.7 | 0 | 0 | 0 | 0 | 107.4 | Q238 S242 | Q238-V240 PolarHBondContact O-N 2.93Å; Q238-V240 VanDerWaalsContact O-N 3.17Å; V240-S242 PolarHBondContact O-N 3.4Å | ||
| 241 | S | 37.1 | Very low | 41.5 | Very low | 116 Ų | 116 | 125.6 Ų | 125.6 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 118 | 170.3 | -42.4 | 0 | 0 | 0 | 0 | 109 | G239 | G239-S241 PolarHBondContact O-N 3.43Š|
| 242 | S | 40.7 | Very low | 41.5 | Very low | 115 Ų | 115 | 123.5 Ų | 123.5 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 133 | 168.2 | -62.3 | 0 | 0 | 0 | 0 | 110 | V240 | V240-S242 PolarHBondContact O-N 3.4Š|
| 243 | P | 48.5 | Very low | 42 | Very low | 120 Ų | 120 | 125.5 Ų | 125.5 | 78% | 0.779 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 131.3 | 167 | 29.8 | -28.5 | 0 | 0 | 0 | 109.5 | M245 | P243-M245 PolarHBondContact O-N 3.29Š|
| 244 | A | 44.9 | Very low | 42.1 | Very low | 103 Ų | 103 | 127.4 Ų | 127.4 | 85% | 0.851 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 123 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 245 | M | 50.6 | Low | 42.3 | Very low | 196 Ų | 196 | 129 Ų | 129 | 97% | 0.966 | 84% | 0.839 | S | S | * | * | trans | -86.1 | 109.8 | 161.2 | -76.2 | -138.2 | 174.6 | 0 | 0 | 108.3 | P243 | P243-M245 PolarHBondContact O-N 3.29Š| ||
| 246 | G | 49.6 | Very low | 42.5 | Very low | 66 Ų | 66 | 130.3 Ų | 130.3 | 68% | 0.68 | 84% | 0.843 | S | S | * | * | trans | -100.6 | 120.4 | 161.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 247 | Q | 46 | Very low | 43.1 | Very low | 277 Ų | 277 | 135.5 Ų | 135.5 | 100% | 1.294 | 85% | 0.851 | S | S | * | * | trans | 156.6 | 0 | 133.3 | -85.2 | -175.7 | 91.1 | 0 | 0 | 109.7 |
Retrieved 247 of 247 residues in 722.1 ms
(Link to these results)