| 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 | 39.9 | Very low | 33.3 | Very low | 247 Ų | 247 | 151.9 Ų | 151.9 | 100% | 1.217 | 77% | 0.772 | S | S | * | * | 0 | 108.5 | 0 | -92 | 160.5 | 166.9 | 0 | 0 | 108.1 | |||||
| 2 | A | 33.6 | Very low | 32.8 | Very low | 99 Ų | 99 | 145.8 Ų | 145.8 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -11.3 | 134.8 | 154.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 3 | S | 34 | Very low | 32.9 | Very low | 100 Ų | 100 | 147.3 Ų | 147.3 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | 121.4 | 142 | 62.3 | 166.4 | 0 | 0 | 0 | 0 | 106.5 | |||||
| 4 | K | 38.4 | Very low | 33.3 | Very low | 167 Ų | 167 | 144.6 Ų | 144.6 | 73% | 0.726 | 78% | 0.777 | S | S | * | * | cis | -174.3 | 152.8 | 6.1 | -111.6 | -178 | 175.1 | 176.7 | 0 | 108.4 | ||||
| 5 | D | 37.2 | Very low | 33.2 | Very low | 138 Ų | 138 | 140.1 Ų | 140.1 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | 43.5 | 154.6 | 123.7 | -54.6 | -15.4 | 0 | 0 | 0 | 120.4 | |||||
| 6 | A | 35.1 | Very low | 33 | Very low | 77 Ų | 77 | 142.3 Ų | 142.3 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | cis | 175.1 | 132.5 | -9.6 | 0 | 0 | 0 | 0 | 0 | 103.4 | ||||
| 7 | Q | 31.8 | Very low | 32.9 | Very low | 176 Ų | 176 | 143.2 Ų | 143.2 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | 67.9 | 119.7 | 99.3 | -126.8 | -174.9 | 8.8 | 0 | 0 | 116 | |||||
| 8 | N | 29.4 | Very low | 33 | Very low | 120 Ų | 120 | 142.1 Ų | 142.1 | 64% | 0.642 | 77% | 0.768 | S | S | * | * | 104.9 | 141.8 | 118.9 | -135.3 | -0.2 | 0 | 0 | 0 | 121.4 | |||||
| 9 | Q | 31.1 | Very low | 32.7 | Very low | 148 Ų | 148 | 138.5 Ų | 138.5 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | trans | 75.5 | 152.4 | 150.3 | -60.2 | -154.4 | -8.3 | 0 | 0 | 119.5 | ||||
| 10 | R | 28.1 | Very low | 32.6 | Very low | 182 Ų | 182 | 136.6 Ų | 136.6 | 69% | 0.687 | 77% | 0.77 | S | S | * | * | cis | 173.4 | 151.9 | -24.4 | -144.4 | -176.2 | -171.4 | -177.5 | 4.3 | 103.8 | ||||
| 11 | R | 27.4 | Very low | 33.1 | Very low | 217 Ų | 217 | 135.7 Ų | 135.7 | 82% | 0.819 | 77% | 0.77 | S | S | * | * | trans | 74.5 | 135.8 | 153.8 | -66.1 | 175.2 | 177.9 | 176.6 | -2.1 | 120.5 | ||||
| 12 | G | 27.7 | Very low | 32.9 | Very low | 79 Ų | 79 | 131.3 Ų | 131.3 | 81% | 0.814 | 75% | 0.752 | S | S | * | * | trans | 141.9 | 99.2 | 135.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 13 | L | 33.3 | Very low | 33.5 | Very low | 165 Ų | 165 | 130.9 Ų | 130.9 | 86% | 0.864 | 74% | 0.741 | S | S | * | * | trans | -83.9 | 154.8 | 146.4 | -136.3 | 90.1 | 0 | 0 | 0 | 107 | ||||
| 14 | P | 39.4 | Very low | 33.4 | Very low | 109 Ų | 109 | 133 Ų | 133 | 71% | 0.708 | 74% | 0.744 | S | S | * | * | -158.5 | 158.5 | 81.3 | 40.1 | -18.4 | 0 | 0 | 0 | 118.4 | |||||
| 15 | S | 31.3 | Very low | 33.1 | Very low | 78 Ų | 78 | 133.1 Ų | 133.1 | 55% | 0.545 | 75% | 0.747 | S | S | . | * | trans | 19.8 | 163.9 | 145 | 55.6 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 16 | F | 30.9 | Very low | 32.9 | Very low | 175 Ų | 175 | 133.7 Ų | 133.7 | 77% | 0.768 | 75% | 0.75 | S | S | * | * | trans | 117.8 | 101.1 | 151.6 | -57 | -64.1 | 0 | 0 | 0 | 115.1 | ||||
| 17 | L | 30.1 | Very low | 32.6 | Very low | 157 Ų | 157 | 138 Ų | 138 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | 87.2 | 168.3 | 78.2 | -73.3 | -171 | 0 | 0 | 0 | 113.8 | |||||
| 18 | P | 35.4 | Very low | 33.2 | Very low | 123 Ų | 123 | 135.3 Ų | 135.3 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | -136.2 | -175.6 | -103.7 | 33.1 | -6.3 | 0 | 0 | 0 | 116.6 | |||||
| 19 | G | 27.8 | Very low | 33.2 | Very low | 74 Ų | 74 | 134.3 Ų | 134.3 | 76% | 0.763 | 77% | 0.768 | S | S | * | * | trans | 107.9 | 110.6 | 156.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 20 | A | 30.2 | Very low | 33.2 | Very low | 100 Ų | 100 | 132.8 Ų | 132.8 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | 99 | 160.9 | 80.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 21 | P | 42.3 | Very low | 33.3 | Very low | 119 Ų | 119 | 130 Ų | 130 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | cis | -136.7 | 176.5 | -39.8 | 37.2 | -18.3 | 0 | 0 | 0 | 116.2 | ||||
| 22 | D | 36.7 | Very low | 33.6 | Very low | 154 Ų | 154 | 125.4 Ų | 125.4 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | trans | 76.6 | 163.1 | 145.8 | -108.4 | 12.2 | 0 | 0 | 0 | 124.2 | ||||
| 23 | P | 45.2 | Very low | 33.9 | Very low | 90 Ų | 90 | 129 Ų | 129 | 58% | 0.584 | 78% | 0.784 | S | S | * | * | cis | -136.5 | 173.1 | -44.3 | 26.6 | -4.7 | 0 | 0 | 0 | 116.2 | ||||
| 24 | D | 32.8 | Very low | 34.3 | Very low | 146 Ų | 146 | 127 Ų | 127 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | trans | 59.9 | 119.9 | 147.2 | -62 | -24.6 | 0 | 0 | 0 | 124 | ||||
| 25 | Q | 32.1 | Very low | 33.8 | Very low | 169 Ų | 169 | 125 Ų | 125 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | 177.5 | 136.6 | 91.8 | -88.7 | -170.2 | 5.2 | 0 | 0 | 114.2 | |||||
| 26 | N | 32.3 | Very low | 34 | Very low | 150 Ų | 150 | 129 Ų | 129 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | 87.2 | 104 | 150.7 | -60.2 | -21.5 | 0 | 0 | 0 | 121.6 | ||||
| 27 | L | 30 | Very low | 34.1 | Very low | 167 Ų | 167 | 130.3 Ų | 130.3 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | -99.4 | 179.1 | 160.8 | -87.6 | 165.6 | 0 | 0 | 0 | 109.7 | ||||
| 28 | P | 42.8 | Very low | 34.3 | Very low | 120 Ų | 120 | 126.7 Ų | 126.7 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | cis | -136.4 | 158.9 | 5.8 | 28.1 | -5.4 | 0 | 0 | 0 | 116.2 | ||||
| 29 | A | 30.8 | Very low | 34.2 | Very low | 98 Ų | 98 | 132.9 Ų | 132.9 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | trans | -148 | 126.2 | 139.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 30 | S | 29.7 | Very low | 34.6 | Very low | 117 Ų | 117 | 138.3 Ų | 138.3 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -70.8 | 131.8 | -173.3 | 50 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 31 | S | 31.9 | Very low | 34.7 | Very low | 123 Ų | 123 | 141.3 Ų | 141.3 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | -165.8 | 138.6 | 127 | 58.3 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 32 | S | 33.8 | Very low | 34.6 | Very low | 121 Ų | 121 | 141 Ų | 141 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | -79.8 | 129.8 | -174.7 | 47.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 33 | N | 33.2 | Very low | 35.1 | Very low | 153 Ų | 153 | 144.6 Ų | 144.6 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -76.9 | -176.4 | 162.1 | -105.9 | -7.5 | 0 | 0 | 0 | 111 | ||||
| 34 | P | 41.9 | Very low | 35.1 | Very low | 124 Ų | 124 | 146.2 Ų | 146.2 | 81% | 0.805 | 82% | 0.824 | S | S | * | * | cis | -137.4 | 173.6 | -25 | 31.6 | -11.2 | 0 | 0 | 0 | 113.1 | ||||
| 35 | G | 28.7 | Very low | 35.8 | Very low | 66 Ų | 66 | 146.5 Ų | 146.5 | 68% | 0.68 | 83% | 0.825 | S | S | * | * | trans | 154.6 | 119.7 | 156.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 36 | N | 34.5 | Very low | 36.4 | Very low | 163 Ų | 163 | 143.7 Ų | 143.7 | 87% | 0.872 | 82% | 0.821 | S | S | * | * | trans | 77.7 | 74.3 | 158.7 | -54 | -14 | 0 | 0 | 0 | 118.1 | A38 | N36-A38 VanDerWaalsContact C-N 3.33Å; N36-A38 PolarHBondContact O-N 2.85Å | ||
| 37 | Q | 34.9 | Very low | 37.2 | Very low | 202 Ų | 202 | 148.9 Ų | 148.9 | 94% | 0.944 | 83% | 0.829 | S | S | * | * | trans | -78.5 | 86.7 | 151.7 | -72.2 | -176.5 | 5.7 | 0 | 0 | 109.2 | ||||
| 38 | A | 33.8 | Very low | 38.2 | Very low | 82 Ų | 82 | 144.5 Ų | 144.5 | 68% | 0.678 | 81% | 0.813 | S | S | * | * | trans | -92.3 | 124.4 | 161.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | N36 Q40 | N36-A38 VanDerWaalsContact C-N 3.33Å; N36-A38 PolarHBondContact O-N 2.85Å; A38-Q40 PolarHBondContact O-N 3.06Å | ||
| 39 | W | 33.3 | Very low | 38.4 | Very low | 252 Ų | 252 | 148.3 Ų | 148.3 | 96% | 0.955 | 82% | 0.817 | S | S | * | * | trans | -45.1 | 101.5 | 174 | -63.2 | 95.5 | 0 | 0 | 0 | 112.4 | L41 | W39-L41 PolarHBondContact O-N 3.1Š| ||
| 40 | Q | 35.6 | Very low | 38.7 | Very low | 189 Ų | 189 | 151.1 Ų | 151.1 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | trans | -83.8 | 93.7 | 163.5 | -70.8 | -145.2 | -29.2 | 0 | 0 | 108.6 | A38 S42 | A38-Q40 PolarHBondContact O-N 3.06Å; Q40-S42 PolarHBondContact O-N 2.93Å | ||
| 41 | L | 33 | Very low | 39.2 | Very low | 163 Ų | 163 | 151.3 Ų | 151.3 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | trans | -54.3 | 126.5 | 165.7 | -145.8 | 82.1 | 0 | 0 | 0 | 108.8 | W39 R43 | W39-L41 PolarHBondContact O-N 3.1Å; L41-R43 PolarHBondContact O-N 3.22Å | ||
| 42 | S | 40.1 | Very low | 39.7 | Very low | 112 Ų | 112 | 151.5 Ų | 151.5 | 78% | 0.783 | 81% | 0.812 | S | S | * | * | trans | -44.2 | 123.4 | 176.4 | -46.9 | 0 | 0 | 0 | 0 | 111.7 | Q40 | Q40-S42 PolarHBondContact O-N 2.93Š| ||
| 43 | R | 45.7 | Very low | 40.7 | Very low | 230 Ų | 230 | 151.4 Ų | 151.4 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 131.5 | 170.3 | -68.9 | -178 | -178.2 | -164.8 | 0.2 | 108.9 | L41 L45 | L41-R43 PolarHBondContact O-N 3.22Å; R43-L45 PolarHBondContact O-N 2.98Å |
| 44 | P | 45.9 | Very low | 42.4 | Very low | 124 Ų | 124 | 149 Ų | 149 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 132.5 | 171 | -10.2 | 24.5 | 0 | 0 | 0 | 109.2 | ||
| 45 | L | 46.8 | Very low | 44.2 | Very low | 152 Ų | 152 | 145.8 Ų | 145.8 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 145.5 | 166.8 | -95.9 | 82.1 | 0 | 0 | 0 | 109.8 | R43 R47 | R43-L45 PolarHBondContact O-N 2.98Å; L45-R47 PolarHBondContact O-N 2.82Å |
| 46 | P | 44.6 | Very low | 46.9 | Very low | 109 Ų | 109 | 143.7 Ų | 143.7 | 71% | 0.708 | 75% | 0.752 | S | S | * | * | trans | -58.8 | 113.6 | 170.8 | -16.7 | 28.6 | 0 | 0 | 0 | 109.8 | S48 | P46-S48 VanDerWaalsContact C-N 3.27Å; P46-S48 PolarHBondContact O-N 3.42Å | ||
| 47 | R | 49.1 | Very low | 49.4 | Very low | 259 Ų | 259 | 139.6 Ų | 139.6 | 98% | 0.977 | 73% | 0.734 | S | S | * | * | trans | -69.9 | 85.4 | 166.8 | -78.7 | 179.1 | 174.7 | 172.3 | -2.3 | 108.3 | L45 | L45-R47 PolarHBondContact O-N 2.82Š| ||
| 48 | S | 52 | Low | 51.9 | Low | 75 Ų | 75 | 130.2 Ų | 130.2 | 52% | 0.524 | 69% | 0.691 | S | S | . | * | trans | -147.8 | 49.2 | 176.2 | 64.4 | 0 | 0 | 0 | 0 | 113.1 | P46 | P46-S48 VanDerWaalsContact C-N 3.27Å; P46-S48 PolarHBondContact O-N 3.42Å | ||
| 49 | F | 47.1 | Very low | 54.7 | Low | 201 Ų | 201 | 126.3 Ų | 126.3 | 88% | 0.882 | 66% | 0.659 | S | S | * | * | trans | -150.6 | 31 | 165.9 | -70.3 | -72.1 | 0 | 0 | 0 | 113.3 | ||||
| 50 | L | 37.5 | Very low | 57.5 | Low | 157 Ų | 157 | 118.7 Ų | 118.7 | 82% | 0.822 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -96.2 | 132.8 | 157.2 | -69.8 | 172.1 | 0 | 0 | 0 | 106.1 | T52 | L50-T52 VanDerWaalsContact C-N 3.26Å; L50-T52 PolarHBondContact O-N 2.85Å |
| 51 | P | 40.1 | Very low | 60.1 | Low | 121 Ų | 121 | 114.9 Ų | 114.9 | 79% | 0.786 | 61% | 0.613 | S | S | * | * | trans | -58.8 | 103.2 | 164.2 | 1.2 | 9.8 | 0 | 0 | 0 | 105 | V53 | P51-V53 PolarHBondContact O-N 2.69Š| ||
| 52 | T | 42.7 | Very low | 63 | Low | 126 Ų | 126 | 107.1 Ų | 107.1 | 77% | 0.773 | 57% | 0.572 | S | S | * | * | trans | -57.3 | 104.9 | 160.8 | 27.8 | 0 | 0 | 0 | 0 | 103.8 | L50 S54 | L50-T52 VanDerWaalsContact C-N 3.26Å; L50-T52 PolarHBondContact O-N 2.85Å; T52-S54 PolarHBondContact O-N 2.69Å | ||
| 53 | V | 54.8 | Low | 65.5 | Low | 120 Ų | 120 | 104.1 Ų | 104.1 | 73% | 0.727 | 55% | 0.551 | S | S | * | * | trans | -52.5 | 99.1 | 159.9 | 175.3 | 0 | 0 | 0 | 0 | 103.4 | P51 L55 | P51-V53 PolarHBondContact O-N 2.69Å; V53-L55 VanDerWaalsContact C-N 3.29Å; V53-L55 PolarHBondContact O-N 3.44Å | ||
| 54 | S | 67.6 | Low | 67.6 | Low | 103 Ų | 103 | 100.6 Ų | 100.6 | 72% | 0.72 | 54% | 0.544 | S | S | * | . | trans | -69.1 | 98.6 | -174.5 | 52.3 | 0 | 0 | 0 | 0 | 104.9 | T52 | T52-S54 PolarHBondContact O-N 2.69Š| ||
| 55 | L | 80.6 | Confident | 69.8 | Low | 55 Ų | 55 | 95.3 Ų | 95.3 | 29% | 0.288 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 133.7 | -178.4 | -154.5 | 73.2 | 0 | 0 | 0 | 108.2 | V53 P57 E60 V247 | V53-L55 VanDerWaalsContact C-N 3.29Å; V53-L55 PolarHBondContact O-N 3.44Å; L55-P57 WeakPolarHBondContact O-CD 3.44Å; L55-E60 VanDerWaalsContact CD2-CA 3.42Å; L55-E60 HydrophobicContact CD2-CB 4.2Å; L55-E60 HydrophobicContact CD2-CG 4.1Å; L55-V247 HydrophobicContact CD1-CB 4.14Å; L55-V247 HydrophobicContact CD1-CG1 3.81Å; L55-V247 HydrophobicContact CD1-CG2 3.24Å; L55-V247 HydrophobicContact CD2-CG1 4.28Å; L55-V247 HydrophobicContact CD2-CG2 4.38Å; L55-V247 HydrophobicContact CG-CG1 4.43Å; L55-V247 HydrophobicContact CG-CG2 3.73Å |
| 56 | P | 84.7 | Confident | 72 | Confident | 23 Ų | 23 | 92.3 Ų | 92.3 | 15% | 0.149 | 49% | 0.494 | C | S | . | . | P | Polyproline II helix | trans | -55.1 | 128.5 | 177 | -25.7 | 34.4 | 0 | 0 | 0 | 109.7 | G58 L59 A157 V163 T248 | P56-G58 PolarHBondContact O-N 2.86Å; P56-L59 HydrophobicContact CB-CD1 3.94Å; P56-L59 HydrophobicContact CB-CG 4.14Å; P56-L59 HydrophobicContact CG-CD1 4.09Å; P56-L59 WeakPolarHBondContact O-CB 3.3Å; P56-L59 PolarHBondContact O-N 3.34Å; P56-L59 VanDerWaalsContact O-N 3.09Å; P56-A157 HydrophobicContact CB-CB 4.31Å; P56-V163 HydrophobicContact CG-CG1 4.3Å; P56-T248 HydrophobicContact CG-CG2 3.92Å |
| 57 | P | 87.3 | Confident | 74.3 | Confident | 77 Ų | 77 | 88.1 Ų | 88.1 | 50% | 0.5 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 132.3 | -179 | -29.4 | 33.6 | 0 | 0 | 0 | 111.9 | L55 E60 | L55-P57 WeakPolarHBondContact O-CD 3.44Å; P57-E60 WeakPolarHBondContact CA-OE1 3.27Å |
| 58 | G | 87.1 | Confident | 76.5 | Confident | 4 Ų | 4 | 75.8 Ų | 75.8 | 4% | 0.041 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 93 | -10.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | P56 E60 Y100 | P56-G58 PolarHBondContact O-N 2.86Å; G58-E60 WeakPolarHBondContact CA-OE2 3.3Å; G58-E60 VanDerWaalsContact N-CD 3.32Å; G58-E60 PolarHBondContact N-OE1 2.92Å; G58-E60 PolarHBondContact N-OE2 3.27Å; G58-Y100 WeakPolarHBondContact O-CE1 3.14Å; G58-Y100 PolarHBondContact O-OH 2.7Å |
| 59 | L | 92.4 | Very high | 78.4 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 40% | 0.398 | C | S | . | . | trans | -95.2 | 3.7 | 175.8 | -58.3 | -165.5 | 0 | 0 | 0 | 113.9 | P56 Y61 L62 I133 A157 V247 A251 | P56-L59 HydrophobicContact CB-CD1 3.94Å; P56-L59 HydrophobicContact CB-CG 4.14Å; P56-L59 HydrophobicContact CG-CD1 4.09Å; P56-L59 WeakPolarHBondContact O-CB 3.3Å; P56-L59 PolarHBondContact O-N 3.34Å; P56-L59 VanDerWaalsContact O-N 3.09Å; L59-Y61 PolarHBondContact O-N 3.44Å; L59-L62 HydrophobicContact CD2-CD1 4.06Å; L59-L62 WeakPolarHBondContact O-CB 3.38Å; L59-L62 PolarHBondContact O-N 3.2Å; L59-I133 HydrophobicContact CD2-CD1 3.54Å; L59-I133 HydrophobicContact CD2-CG1 3.5Å; L59-A157 HydrophobicContact CD1-CB 3.84Å; L59-A157 HydrophobicContact CD2-CB 4.24Å; L59-A157 HydrophobicContact CG-CB 4.12Å; L59-V247 HydrophobicContact CB-CB 4.08Å; L59-V247 HydrophobicContact CB-CG2 3.82Å; L59-V247 HydrophobicContact CD1-CB 4.32Å; L59-V247 HydrophobicContact CD1-CG2 3.84Å; L59-A251 HydrophobicContact CD1-CB 4.23Å | ||
| 60 | E | 92.8 | Very high | 80.5 | Confident | 93 Ų | 93 | 63.5 Ų | 63.5 | 44% | 0.435 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -56.9 | -39 | -175.7 | -57.1 | 78.9 | -177.4 | 0 | 0 | 112.1 | L55 P57 G58 L62 S63 | L55-E60 VanDerWaalsContact CD2-CA 3.42Å; L55-E60 HydrophobicContact CD2-CB 4.2Å; L55-E60 HydrophobicContact CD2-CG 4.1Å; P57-E60 WeakPolarHBondContact CA-OE1 3.27Å; G58-E60 WeakPolarHBondContact CA-OE2 3.3Å; G58-E60 VanDerWaalsContact N-CD 3.32Å; G58-E60 PolarHBondContact N-OE1 2.92Å; G58-E60 PolarHBondContact N-OE2 3.27Å; E60-L62 VanDerWaalsContact C-N 3.28Å; E60-L62 PolarHBondContact O-N 3.06Å; E60-S63 WeakPolarHBondContact O-CB 3.4Å; E60-S63 PolarHBondContact O-N 2.98Å; E60-S63 PolarHBondContact O-OG 3.31Å |
| 61 | Y | 91.3 | Very high | 82.9 | Confident | 109 Ų | 109 | 57.5 Ų | 57.5 | 43% | 0.427 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -65.3 | -33.4 | -179.4 | -153.4 | -77.9 | 0 | 0 | 0 | 112.1 | L59 S63 Q64 L65 N93 I99 | L59-Y61 PolarHBondContact O-N 3.44Å; Y61-S63 PolarHBondContact O-N 3.09Å; Y61-Q64 PolarHBondContact O-N 3.22Å; Y61-L65 HydrophobicContact CD1-CD1 3.93Å; Y61-L65 HydrophobicContact CD1-CD2 4.32Å; Y61-L65 HydrophobicContact CD1-CG 4.23Å; Y61-L65 HydrophobicContact CE1-CD1 4.2Å; Y61-L65 HydrophobicContact CE1-CD2 3.97Å; Y61-L65 HydrophobicContact CE1-CG 4.37Å; Y61-L65 WeakPolarHBondContact O-CG 3.44Å; Y61-N93 PolarHBondContact OH-ND2 2.9Å; Y61-I99 HydrophobicContact CD1-CB 3.98Å; Y61-I99 HydrophobicContact CD1-CD1 4.19Å; Y61-I99 HydrophobicContact CD1-CG2 3.65Å; Y61-I99 HydrophobicContact CE1-CB 4.05Å; Y61-I99 HydrophobicContact CE1-CG2 3.19Å; Y61-I99 HydrophobicContact CE2-CG2 4.43Å; Y61-I99 HydrophobicContact CG-CG2 4.44Å |
| 62 | L | 93.3 | Very high | 85 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -66.8 | -23.5 | 179 | -63.7 | -176.7 | 0 | 0 | 0 | 113.1 | L59 E60 Q64 L65 I68 I99 Y100 V247 K250 A251 I254 | L59-L62 HydrophobicContact CD2-CD1 4.06Å; L59-L62 WeakPolarHBondContact O-CB 3.38Å; L59-L62 PolarHBondContact O-N 3.2Å; E60-L62 VanDerWaalsContact C-N 3.28Å; E60-L62 PolarHBondContact O-N 3.06Å; L62-Q64 PolarHBondContact O-N 2.64Å; L62-Q64 VanDerWaalsContact O-N 3.12Å; L62-L65 HydrophobicContact CD2-CD1 4.15Å; L62-L65 PolarHBondContact O-N 2.97Å; L62-I68 HydrophobicContact CD2-CD1 3.92Å; L62-I68 HydrophobicContact CD2-CG1 4.41Å; L62-I99 HydrophobicContact CD2-CD1 4.37Å; L62-Y100 HydrophobicContact CD2-CE2 3.73Å; L62-Y100 HydrophobicContact CG-CE2 3.98Å; L62-V247 HydrophobicContact CB-CB 4.25Å; L62-V247 HydrophobicContact CB-CG1 4.11Å; L62-K250 HydrophobicContact CB-CD 4.31Å; L62-K250 HydrophobicContact CD1-CB 4.24Å; L62-K250 WeakPolarHBondContact O-CD 3.47Å; L62-K250 PolarHBondContact O-NZ 3.45Å; L62-A251 HydrophobicContact CD1-CB 4.42Å; L62-I254 HydrophobicContact CD1-CD1 4.12Å; L62-I254 HydrophobicContact CD2-CD1 4.04Å |
| 63 | S | 91.6 | Very high | 86.7 | Confident | 48 Ų | 48 | 49.8 Ų | 49.8 | 34% | 0.336 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -63.4 | -18.4 | -177.8 | 68.3 | 0 | 0 | 0 | 0 | 113.9 | E60 Y61 | E60-S63 WeakPolarHBondContact O-CB 3.4Å; E60-S63 PolarHBondContact O-N 2.98Å; E60-S63 PolarHBondContact O-OG 3.31Å; Y61-S63 PolarHBondContact O-N 3.09Å |
| 64 | Q | 90.2 | Very high | 87.4 | Confident | 156 Ų | 156 | 47.7 Ų | 47.7 | 73% | 0.729 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -107.9 | -3.6 | -176 | -60 | 175.8 | 28.5 | 0 | 0 | 113 | Y61 L62 | Y61-Q64 PolarHBondContact O-N 3.22Å; L62-Q64 PolarHBondContact O-N 2.64Å; L62-Q64 VanDerWaalsContact O-N 3.12Å |
| 65 | L | 92.6 | Very high | 87.2 | Confident | 13 Ų | 13 | 46.2 Ų | 46.2 | 7% | 0.068 | 24% | 0.238 | C | C | . | . | trans | -95.9 | 130.2 | -172.3 | -60.1 | -176.2 | 0 | 0 | 0 | 112.3 | Y61 L62 I68 N93 I99 K250 | Y61-L65 HydrophobicContact CD1-CD1 3.93Å; Y61-L65 HydrophobicContact CD1-CD2 4.32Å; Y61-L65 HydrophobicContact CD1-CG 4.23Å; Y61-L65 HydrophobicContact CE1-CD1 4.2Å; Y61-L65 HydrophobicContact CE1-CD2 3.97Å; Y61-L65 HydrophobicContact CE1-CG 4.37Å; Y61-L65 WeakPolarHBondContact O-CG 3.44Å; L62-L65 HydrophobicContact CD2-CD1 4.15Å; L62-L65 PolarHBondContact O-N 2.97Å; L65-I68 HydrophobicContact CB-CG1 4.18Å; L65-I68 HydrophobicContact CD1-CG1 3.99Å; L65-N93 HydrophobicContact CD2-CB 3.96Å; L65-I99 HydrophobicContact CD1-CD1 3.36Å; L65-K250 WeakPolarHBondContact O-CE 3.4Å; L65-K250 PolarHBondContact O-NZ 3.27Å | ||
| 66 | D | 93.1 | Very high | 86.1 | Confident | 89 Ų | 89 | 48.9 Ų | 48.9 | 48% | 0.476 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -98.3 | -22.6 | 166.8 | 58.9 | -12.1 | 0 | 0 | 0 | 112.3 | H240 V241 A243 | D66-H240 WeakPolarHBondContact O-CA 3.32Å; D66-V241 CarbonylContact C-O 3.45Å; D66-V241 WeakPolarHBondContact CA-O 2.94Å; D66-V241 WeakPolarHBondContact CB-O 3.49Å; D66-V241 PolarHBondContact O-N 2.84Å; D66-V241 VanDerWaalsContact O-O 3.04Å; D66-A243 HydrophobicContact CB-CB 4.49Å |
| 67 | L | 93.5 | Very high | 84.5 | Confident | 21 Ų | 21 | 53.9 Ų | 53.9 | 11% | 0.11 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 123.9 | 175.7 | 177.5 | 57.5 | 0 | 0 | 0 | 111.7 | I69 I239 | L67-I69 HydrophobicContact CD1-CG1 4.24Å; L67-I69 HydrophobicContact CD2-CD1 4.28Å; L67-I69 HydrophobicContact CD2-CG1 4.35Å; L67-I69 HydrophobicContact CG-CD1 4.48Å; L67-I69 HydrophobicContact CG-CG1 4.07Å; L67-I239 WeakPolarHBondContact CA-O 3.48Å; L67-I239 WeakPolarHBondContact CD1-O 3.23Å |
| 68 | I | 94.6 | Very high | 83.1 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 126.5 | 171.8 | -55 | 159.3 | 0 | 0 | 0 | 108.1 | L62 L65 I91 I239 K250 I254 | L62-I68 HydrophobicContact CD2-CD1 3.92Å; L62-I68 HydrophobicContact CD2-CG1 4.41Å; L65-I68 HydrophobicContact CB-CG1 4.18Å; L65-I68 HydrophobicContact CD1-CG1 3.99Å; I68-I91 HydrophobicContact CG2-CG2 3.45Å; I68-I91 VanDerWaalsContact CG2-CG2 3.45Å; I68-I239 HydrophobicContact CB-CB 4.14Å; I68-I239 HydrophobicContact CB-CD1 4.36Å; I68-I239 HydrophobicContact CG2-CD1 4.46Å; I68-I239 PolarHBondContact N-O 3.15Å; I68-I239 PolarHBondContact O-N 2.88Å; I68-K250 HydrophobicContact CD1-CB 4.28Å; I68-I254 HydrophobicContact CD1-CD1 4.23Å; I68-I254 HydrophobicContact CD1-CG1 4.38Å; I68-I254 HydrophobicContact CG2-CD1 4.33Å; I68-I254 HydrophobicContact CG2-CG1 4.25Å |
| 69 | I | 92.5 | Very high | 81.6 | Confident | 16 Ų | 16 | 56.2 Ų | 56.2 | 8% | 0.082 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 129.2 | -179.8 | -59.1 | 171.9 | 0 | 0 | 0 | 108.2 | L67 I91 K92 F231 N236 F237 | L67-I69 HydrophobicContact CD1-CG1 4.24Å; L67-I69 HydrophobicContact CD2-CD1 4.28Å; L67-I69 HydrophobicContact CD2-CG1 4.35Å; L67-I69 HydrophobicContact CG-CD1 4.48Å; L67-I69 HydrophobicContact CG-CG1 4.07Å; I69-I91 CarbonylContact O-C 3.55Å; I69-I91 WeakPolarHBondContact O-CA 3.09Å; I69-K92 HydrophobicContact CB-CB 4.22Å; I69-K92 PolarHBondContact N-O 2.88Å; I69-K92 PolarHBondContact O-N 2.86Å; I69-F231 HydrophobicContact CD1-CE1 3.94Å; I69-F231 HydrophobicContact CG1-CE1 4.39Å; I69-N236 HydrophobicContact CG2-CB 4.45Å; I69-F237 CarbonylContact C-O 3.52Å; I69-F237 WeakPolarHBondContact CA-O 3.41Å |
| 70 | I | 91.5 | Very high | 79.6 | Confident | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 118.7 | 174.9 | -56.4 | 176.4 | 0 | 0 | 0 | 107.7 | Y89 I91 N236 F237 I239 I254 C257 F258 | I70-Y89 HydrophobicContact CG2-CD1 4.05Å; I70-Y89 HydrophobicContact CG2-CG 4.41Å; I70-I91 HydrophobicContact CG1-CG1 4.38Å; I70-N236 WeakPolarHBondContact O-CA 3.39Å; I70-F237 HydrophobicContact CB-CB 4.26Å; I70-F237 PolarHBondContact N-O 2.9Å; I70-F237 PolarHBondContact O-N 2.91Å; I70-I239 HydrophobicContact CD1-CD1 4.19Å; I70-I254 HydrophobicContact CD1-CG2 4.17Å; I70-C257 HydrophobicContact CD1-CB 3.52Å; I70-F258 HydrophobicContact CD1-CZ 4.32Å; I70-F258 HydrophobicContact CG2-CE1 3.8Å; I70-F258 HydrophobicContact CG2-CZ 4.09Å |
| 71 | H | 87.4 | Confident | 77.6 | Confident | 32 Ų | 32 | 63.4 Ų | 63.4 | 15% | 0.148 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 115.4 | -174.9 | 175.9 | -126.1 | 0 | 0 | 0 | 109.8 | Q73 Y89 E90 K92 A234 N236 | H71-Q73 PolarHBondContact ND1-NE2 2.86Å; H71-Y89 CarbonylContact O-C 3.59Å; H71-Y89 VanDerWaalsContact O-CA 3.28Å; H71-Y89 WeakPolarHBondContact O-CA 3.47Å; H71-E90 HydrophobicContact CB-CB 4.37Å; H71-E90 PolarHBondContact N-O 3.04Å; H71-E90 IonicContact ND1-OE2 3.74Å; H71-E90 PolarHBondContact O-N 3.18Å; H71-K92 HydrophobicContact CB-CD 4.49Å; H71-K92 PolarHBondContact ND1-NZ 2.8Å; H71-A234 WeakPolarHBondContact CD2-CB 3.29Å; H71-A234 WeakPolarHBondContact NE2-CB 3.1Å; H71-N236 WeakPolarHBondContact CA-OD1 3.4Å; H71-N236 VanDerWaalsContact CB-OD1 3.3Å; H71-N236 WeakPolarHBondContact CB-OD1 3.37Å; H71-N236 PolarHBondContact CD2-OD1 2.87Å |
| 72 | Q | 83.6 | Confident | 75.7 | Confident | 19 Ų | 19 | 61.4 Ų | 61.4 | 9% | 0.089 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 132 | 176.7 | -171.2 | 172.7 | 8.6 | 0 | 0 | 110.9 | N87 Y89 | Q72-N87 PolarHBondContact NE2-OD1 3.33Å; Q72-Y89 HydrophobicContact CB-CD1 3.66Å; Q72-Y89 HydrophobicContact CB-CE1 3.65Å; Q72-Y89 HydrophobicContact CG-CD1 3.87Å; Q72-Y89 HydrophobicContact CG-CE1 3.53Å |
| 73 | Q | 79.4 | Confident | 73.6 | Confident | 66 Ų | 66 | 65.2 Ų | 65.2 | 31% | 0.308 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 112.6 | 173.5 | -67.8 | -70 | -17.4 | 0 | 0 | 108.7 | H71 K88 E90 | H71-Q73 PolarHBondContact ND1-NE2 2.86Å; Q73-K88 HydrophobicContact CB-CB 4.15Å; Q73-K88 PolarHBondContact N-O 3.28Å; Q73-E90 HydrophobicContact CG-CG 4.22Å; Q73-E90 PolarHBondContact NE2-OE2 2.92Å |
| 74 | V | 68.4 | Low | 71.8 | Confident | 76 Ų | 76 | 69.4 Ų | 69.4 | 46% | 0.461 | 37% | 0.372 | S | S | . | . | trans | -87 | 111 | 177.2 | -174.8 | 0 | 0 | 0 | 0 | 109.1 | L76 M79 | V74-L76 PolarHBondContact O-N 2.86Å; V74-L76 VanDerWaalsContact O-N 3.11Å; V74-M79 HydrophobicContact CG1-CE 3.65Å; V74-M79 HydrophobicContact CG1-SD 4.15Å | ||
| 75 | E | 64.4 | Low | 70.3 | Confident | 71 Ų | 71 | 64.5 Ų | 64.5 | 33% | 0.332 | 35% | 0.353 | S | S | . | . | trans | -82.4 | 86.1 | 174.5 | -68.9 | -168 | 164.7 | 0 | 0 | 110.6 | L77 G78 M79 T85 K88 | E75-L77 PolarHBondContact O-N 2.86Å; E75-L77 VanDerWaalsContact O-N 3.17Å; E75-G78 PolarHBondContact O-N 2.66Å; E75-M79 PolarHBondContact O-N 2.87Å; E75-T85 HydrophobicContact CB-CG2 4.42Å; E75-T85 WeakPolarHBondContact OE2-CB 3.32Å; E75-T85 VanDerWaalsContact OE2-CG2 3.23Å; E75-T85 WeakPolarHBondContact OE2-CG2 3.47Å; E75-K88 WeakPolarHBondContact OE1-CD 3.37Å; E75-K88 WeakPolarHBondContact OE1-CE 3.44Å; E75-K88 IonicContact OE1-NZ 3.26Å; E75-K88 PolarHBondContact OE1-NZ 2.99Å; E75-K88 IonicContact OE2-NZ 3.26Å | ||
| 76 | L | 56.2 | Low | 69.3 | Low | 112 Ų | 112 | 66.5 Ų | 66.5 | 59% | 0.586 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -54.2 | -37 | -177.5 | -160.5 | 77.1 | 0 | 0 | 0 | 112.9 | V74 M79 I80 | V74-L76 PolarHBondContact O-N 2.86Å; V74-L76 VanDerWaalsContact O-N 3.11Å; L76-M79 HydrophobicContact CD1-CE 3.78Å; L76-M79 PolarHBondContact O-N 2.82Å; L76-I80 HydrophobicContact CD2-CD1 4.31Å; L76-I80 HydrophobicContact CG-CD1 4.02Å; L76-I80 WeakPolarHBondContact O-CD1 3.18Å; L76-I80 VanDerWaalsContact O-CG1 3.23Å; L76-I80 WeakPolarHBondContact O-CG1 3.33Å; L76-I80 PolarHBondContact O-N 3.17Å |
| 77 | L | 52.1 | Low | 68.6 | Low | 127 Ų | 127 | 63.8 Ų | 63.8 | 67% | 0.665 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -66.7 | -39.9 | 178.3 | -75.2 | 167.6 | 0 | 0 | 0 | 112.7 | E75 M79 I80 L81 | E75-L77 PolarHBondContact O-N 2.86Å; E75-L77 VanDerWaalsContact O-N 3.17Å; L77-M79 VanDerWaalsContact C-N 3.29Å; L77-M79 PolarHBondContact O-N 2.9Å; L77-I80 PolarHBondContact O-N 3.26Å; L77-L81 HydrophobicContact CB-CD1 4.4Å; L77-L81 WeakPolarHBondContact O-CB 3.21Å; L77-L81 WeakPolarHBondContact O-CD1 3.42Å; L77-L81 PolarHBondContact O-N 3.03Å |
| 78 | G | 57.9 | Low | 68.2 | Low | 6 Ų | 6 | 65.6 Ų | 65.6 | 6% | 0.062 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.3 | -38.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | E75 G82 T83 | E75-G78 PolarHBondContact O-N 2.66Å; G78-G82 PolarHBondContact O-N 2.91Å; G78-G82 VanDerWaalsContact O-N 3.09Å; G78-T83 WeakPolarHBondContact CA-OG1 3.45Å; G78-T83 PolarHBondContact O-N 2.87Å |
| 79 | M | 54.3 | Low | 67.9 | Low | 124 Ų | 124 | 65.8 Ų | 65.8 | 61% | 0.611 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -66.8 | -40.9 | 175 | -60.3 | -161.8 | -56.7 | 0 | 0 | 112.7 | V74 E75 L76 L77 | V74-M79 HydrophobicContact CG1-CE 3.65Å; V74-M79 HydrophobicContact CG1-SD 4.15Å; E75-M79 PolarHBondContact O-N 2.87Å; L76-M79 HydrophobicContact CD1-CE 3.78Å; L76-M79 PolarHBondContact O-N 2.82Å; L77-M79 VanDerWaalsContact C-N 3.29Å; L77-M79 PolarHBondContact O-N 2.9Å |
| 80 | I | 50.7 | Low | 67.9 | Low | 123 Ų | 123 | 66.8 Ų | 66.8 | 63% | 0.631 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -70.7 | -38.2 | 179.7 | -66.8 | 162.8 | 0 | 0 | 0 | 111.6 | L76 L77 | L76-I80 HydrophobicContact CD2-CD1 4.31Å; L76-I80 HydrophobicContact CG-CD1 4.02Å; L76-I80 WeakPolarHBondContact O-CD1 3.18Å; L76-I80 VanDerWaalsContact O-CG1 3.23Å; L76-I80 WeakPolarHBondContact O-CG1 3.33Å; L76-I80 PolarHBondContact O-N 3.17Å; L77-I80 PolarHBondContact O-N 3.26Å |
| 81 | L | 51.3 | Low | 68.1 | Low | 122 Ų | 122 | 66.7 Ų | 66.7 | 64% | 0.639 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -87.6 | -5.5 | -176.5 | -73.6 | 154.2 | 0 | 0 | 0 | 113.4 | L77 T83 | L77-L81 HydrophobicContact CB-CD1 4.4Å; L77-L81 WeakPolarHBondContact O-CB 3.21Å; L77-L81 WeakPolarHBondContact O-CD1 3.42Å; L77-L81 PolarHBondContact O-N 3.03Å; L81-T83 HydrophobicContact CB-CG2 4.26Å; L81-T83 PolarHBondContact O-N 2.87Å |
| 82 | G | 50.3 | Low | 68.3 | Low | 67 Ų | 67 | 67 Ų | 67 | 69% | 0.691 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | 18.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | G78 | G78-G82 PolarHBondContact O-N 2.91Å; G78-G82 VanDerWaalsContact O-N 3.09Å |
| 83 | T | 50.6 | Low | 68.7 | Low | 79 Ų | 79 | 66.4 Ų | 66.4 | 49% | 0.485 | 36% | 0.364 | S | S | . | . | trans | -84.1 | 127.8 | 175.1 | 53 | 0 | 0 | 0 | 0 | 109.1 | G78 L81 T85 | G78-T83 WeakPolarHBondContact CA-OG1 3.45Å; G78-T83 PolarHBondContact O-N 2.87Å; L81-T83 HydrophobicContact CB-CG2 4.26Å; L81-T83 PolarHBondContact O-N 2.87Å; T83-T85 PolarHBondContact O-N 2.96Å | ||
| 84 | E | 53 | Low | 69.1 | Low | 136 Ų | 136 | 66.1 Ų | 66.1 | 64% | 0.636 | 37% | 0.369 | S | S | * | . | trans | -62.1 | 97.4 | 177.5 | -66.2 | -174.1 | 149.2 | 0 | 0 | 110.6 | ||||
| 85 | T | 59.4 | Low | 70 | Confident | 54 Ų | 54 | 68.9 Ų | 68.9 | 33% | 0.331 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -92.8 | 123.7 | 174.7 | 51.8 | 0 | 0 | 0 | 0 | 110 | E75 T83 | E75-T85 HydrophobicContact CB-CG2 4.42Å; E75-T85 WeakPolarHBondContact OE2-CB 3.32Å; E75-T85 VanDerWaalsContact OE2-CG2 3.23Å; E75-T85 WeakPolarHBondContact OE2-CG2 3.47Å; T83-T85 PolarHBondContact O-N 2.96Å |
| 86 | S | 70.4 | Confident | 71.1 | Confident | 55 Ų | 55 | 67.4 Ų | 67.4 | 39% | 0.385 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -52.6 | 137.9 | 168.9 | -78.8 | 0 | 0 | 0 | 0 | 111.9 | K88 E104 | S86-K88 PolarHBondContact O-N 3.07Å; S86-E104 WeakPolarHBondContact CB-O 3.42Å; S86-E104 PolarHBondContact OG-O 3.09Å |
| 87 | N | 78.3 | Confident | 72.7 | Confident | 31 Ų | 31 | 67.1 Ų | 67.1 | 17% | 0.166 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 134 | 173.2 | -69.2 | -47.1 | 0 | 0 | 0 | 110.3 | Q72 Y89 E104 | Q72-N87 PolarHBondContact NE2-OD1 3.33Å; N87-Y89 HydrophobicContact CB-CE2 3.58Å; N87-E104 HydrophobicContact CB-CB 3.99Å; N87-E104 WeakPolarHBondContact CB-OE2 2.84Å; N87-E104 PolarHBondContact ND2-OE2 2.81Å; N87-E104 WeakPolarHBondContact O-CB 3.41Å; N87-E104 PolarHBondContact O-N 3.01Å |
| 88 | K | 86.4 | Confident | 74.6 | Confident | 60 Ų | 60 | 66.2 Ų | 66.2 | 26% | 0.261 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 142.6 | -179.8 | -68.2 | 171.2 | -172.7 | 172.5 | 0 | 109.3 | Q73 E75 S86 F101 A102 V103 | Q73-K88 HydrophobicContact CB-CB 4.15Å; Q73-K88 PolarHBondContact N-O 3.28Å; E75-K88 WeakPolarHBondContact OE1-CD 3.37Å; E75-K88 WeakPolarHBondContact OE1-CE 3.44Å; E75-K88 IonicContact OE1-NZ 3.26Å; E75-K88 PolarHBondContact OE1-NZ 2.99Å; E75-K88 IonicContact OE2-NZ 3.26Å; S86-K88 PolarHBondContact O-N 3.07Å; K88-F101 HydrophobicContact CB-CE2 4.37Å; K88-F101 HydrophobicContact CB-CZ 3.92Å; K88-F101 HydrophobicContact CD-CZ 4.16Å; K88-F101 HydrophobicContact CG-CZ 4.12Å; K88-A102 WeakPolarHBondContact CA-O 3.39Å; K88-V103 HydrophobicContact CG-CG2 4.41Å |
| 89 | Y | 88.6 | Confident | 76.4 | Confident | 3 Ų | 3 | 66.2 Ų | 66.2 | 1% | 0.012 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 139.5 | -177.3 | -52 | -101.1 | 0 | 0 | 0 | 111.3 | I70 H71 Q72 N87 F101 A102 L122 F258 D261 | I70-Y89 HydrophobicContact CG2-CD1 4.05Å; I70-Y89 HydrophobicContact CG2-CG 4.41Å; H71-Y89 CarbonylContact O-C 3.59Å; H71-Y89 VanDerWaalsContact O-CA 3.28Å; H71-Y89 WeakPolarHBondContact O-CA 3.47Å; Q72-Y89 HydrophobicContact CB-CD1 3.66Å; Q72-Y89 HydrophobicContact CB-CE1 3.65Å; Q72-Y89 HydrophobicContact CG-CD1 3.87Å; Q72-Y89 HydrophobicContact CG-CE1 3.53Å; N87-Y89 HydrophobicContact CB-CE2 3.58Å; Y89-F101 VanDerWaalsContact O-CD2 3.29Å; Y89-F101 WeakPolarHBondContact O-CD2 3.19Å; Y89-A102 PolarHBondContact N-O 2.98Å; Y89-A102 PolarHBondContact O-N 3.21Å; Y89-L122 HydrophobicContact CD2-CD2 4.47Å; Y89-L122 HydrophobicContact CE2-CD2 4.33Å; Y89-F258 HydrophobicContact CD1-CD1 4.46Å; Y89-F258 AromaticContact CD1-CE1 3.92Å; Y89-F258 HydrophobicContact CD1-CE1 3.92Å; Y89-F258 HydrophobicContact CD2-CD1 4.2Å; Y89-F258 AromaticContact CD2-CE1 3.63Å; Y89-F258 HydrophobicContact CD2-CE1 3.63Å; Y89-F258 HydrophobicContact CE1-CD1 4.39Å; Y89-F258 HydrophobicContact CE1-CE1 4.29Å; Y89-F258 HydrophobicContact CE2-CD1 4.14Å; Y89-F258 HydrophobicContact CE2-CE1 4.04Å; Y89-F258 HydrophobicContact CG-CD1 4.38Å; Y89-F258 AromaticContact CG-CE1 3.58Å; Y89-F258 HydrophobicContact CG-CE1 3.58Å; Y89-F258 HydrophobicContact CG-CZ 4.47Å; Y89-D261 PolarHBondContact OH-OD2 2.74Å; Y89-D261 VanDerWaalsContact OH-OD2 3.1Å |
| 90 | E | 92.4 | Very high | 78.4 | Confident | 37 Ų | 37 | 60.6 Ų | 60.6 | 17% | 0.173 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 128.3 | 166.4 | -68.7 | -174 | 146.2 | 0 | 0 | 109.6 | H71 Q73 K92 R98 F101 | H71-E90 HydrophobicContact CB-CB 4.37Å; H71-E90 PolarHBondContact N-O 3.04Å; H71-E90 IonicContact ND1-OE2 3.74Å; H71-E90 PolarHBondContact O-N 3.18Å; Q73-E90 HydrophobicContact CG-CG 4.22Å; Q73-E90 PolarHBondContact NE2-OE2 2.92Å; E90-K92 HydrophobicContact CB-CG 4.35Å; E90-K92 WeakPolarHBondContact OE2-CE 3.06Å; E90-K92 IonicContact OE2-NZ 2.61Å; E90-K92 PolarHBondContact OE2-NZ 3.41Å; E90-R98 HydrophobicContact CB-CG 4.38Å; E90-R98 HydrophobicContact CG-CG 4.45Å; E90-F101 HydrophobicContact CG-CD2 4.1Å; E90-F101 HydrophobicContact CG-CE2 4.34Å |
| 91 | I | 93.9 | Very high | 80.5 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 124.7 | 171.2 | -53.5 | 176.4 | 0 | 0 | 0 | 106.6 | I68 I69 I70 I99 Y100 A102 I124 I254 F258 | I68-I91 HydrophobicContact CG2-CG2 3.45Å; I68-I91 VanDerWaalsContact CG2-CG2 3.45Å; I69-I91 CarbonylContact O-C 3.55Å; I69-I91 WeakPolarHBondContact O-CA 3.09Å; I70-I91 HydrophobicContact CG1-CG1 4.38Å; I91-I99 HydrophobicContact CB-CG1 4.35Å; I91-I99 HydrophobicContact CG2-CD1 4.01Å; I91-I99 HydrophobicContact CG2-CG1 3.96Å; I91-I99 WeakPolarHBondContact O-CG1 3.23Å; I91-I99 PolarHBondContact O-N 3.4Å; I91-Y100 HydrophobicContact CG2-CD2 4.32Å; I91-Y100 PolarHBondContact N-O 3.3Å; I91-Y100 PolarHBondContact O-N 2.9Å; I91-A102 HydrophobicContact CD1-CB 4.43Å; I91-I124 HydrophobicContact CD1-CD1 4.21Å; I91-I124 HydrophobicContact CD1-CG2 3.87Å; I91-I254 HydrophobicContact CD1-CG2 3.89Å; I91-F258 HydrophobicContact CD1-CZ 4.35Å |
| 92 | K | 92.8 | Very high | 82.5 | Confident | 39 Ų | 39 | 51.5 Ų | 51.5 | 17% | 0.17 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 155.8 | -170.7 | -60.7 | 174.5 | 179.7 | -179.8 | 0 | 111.4 | I69 H71 E90 G96 Q97 | I69-K92 HydrophobicContact CB-CB 4.22Å; I69-K92 PolarHBondContact N-O 2.88Å; I69-K92 PolarHBondContact O-N 2.86Å; H71-K92 HydrophobicContact CB-CD 4.49Å; H71-K92 PolarHBondContact ND1-NZ 2.8Å; E90-K92 HydrophobicContact CB-CG 4.35Å; E90-K92 WeakPolarHBondContact OE2-CE 3.06Å; E90-K92 IonicContact OE2-NZ 2.61Å; E90-K92 PolarHBondContact OE2-NZ 3.41Å; K92-G96 WeakPolarHBondContact CD-O 3.36Å; K92-Q97 CarbonylContact C-O 3.6Å; K92-Q97 WeakPolarHBondContact CA-O 3.4Å; K92-Q97 WeakPolarHBondContact CB-O 3.26Å |
| 93 | N | 91.7 | Very high | 84.4 | Confident | 6 Ų | 6 | 50 Ų | 50 | 3% | 0.032 | 27% | 0.266 | C | S | . | . | trans | -83.1 | -179.5 | 166.9 | 67.6 | 13.7 | 0 | 0 | 0 | 111.3 | Y61 L65 L95 G96 Q97 I99 | Y61-N93 PolarHBondContact OH-ND2 2.9Å; L65-N93 HydrophobicContact CD2-CB 3.96Å; N93-L95 PolarHBondContact O-N 3.4Å; N93-L95 WeakPolarHBondContact OD1-CA 3.13Å; N93-L95 WeakPolarHBondContact OD1-CB 3.32Å; N93-L95 PolarHBondContact OD1-N 2.85Å; N93-G96 PolarHBondContact O-N 3.04Å; N93-G96 PolarHBondContact OD1-N 3.45Å; N93-Q97 PolarHBondContact N-O 2.96Å; N93-Q97 PolarHBondContact ND2-OE1 3.07Å; N93-Q97 WeakPolarHBondContact OD1-CB 3.49Å; N93-Q97 PolarHBondContact OD1-N 2.8Å; N93-I99 HydrophobicContact CB-CG2 4.1Å | ||
| 94 | S | 87.4 | Confident | 86.1 | Confident | 60 Ų | 60 | 46.5 Ų | 46.5 | 42% | 0.42 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -21.5 | 177 | 54.2 | 0 | 0 | 0 | 0 | 114.7 | G96 | S94-G96 VanDerWaalsContact C-N 3.29Š|
| 95 | L | 88 | Confident | 87.5 | Confident | 135 Ų | 135 | 44.5 Ų | 44.5 | 71% | 0.707 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | 2.4 | 175.8 | -57.8 | 176.2 | 0 | 0 | 0 | 112.7 | N93 Q97 | N93-L95 PolarHBondContact O-N 3.4Å; N93-L95 WeakPolarHBondContact OD1-CA 3.13Å; N93-L95 WeakPolarHBondContact OD1-CB 3.32Å; N93-L95 PolarHBondContact OD1-N 2.85Å; L95-Q97 HydrophobicContact CB-CG 4.19Å; L95-Q97 PolarHBondContact O-N 2.75Å |
| 96 | G | 86.8 | Confident | 87.9 | Confident | 39 Ų | 39 | 44.3 Ų | 44.3 | 40% | 0.402 | 24% | 0.236 | S | C | . | . | S | Bend | trans | 75.1 | 7.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | K92 N93 S94 | K92-G96 WeakPolarHBondContact CD-O 3.36Å; N93-G96 PolarHBondContact O-N 3.04Å; N93-G96 PolarHBondContact OD1-N 3.45Å; S94-G96 VanDerWaalsContact C-N 3.29Å |
| 97 | Q | 90.4 | Very high | 87.2 | Confident | 106 Ų | 106 | 47.6 Ų | 47.6 | 50% | 0.495 | 25% | 0.248 | S | C | . | . | trans | -77.1 | 132.6 | 177.1 | -58.6 | 172.8 | -42 | 0 | 0 | 109.5 | K92 N93 L95 I99 | K92-Q97 CarbonylContact C-O 3.6Å; K92-Q97 WeakPolarHBondContact CA-O 3.4Å; K92-Q97 WeakPolarHBondContact CB-O 3.26Å; N93-Q97 PolarHBondContact N-O 2.96Å; N93-Q97 PolarHBondContact ND2-OE1 3.07Å; N93-Q97 WeakPolarHBondContact OD1-CB 3.49Å; N93-Q97 PolarHBondContact OD1-N 2.8Å; L95-Q97 HydrophobicContact CB-CG 4.19Å; L95-Q97 PolarHBondContact O-N 2.75Å; Q97-I99 PolarHBondContact O-N 3.11Å | ||
| 98 | R | 92.8 | Very high | 85.8 | Confident | 108 Ų | 108 | 49.1 Ų | 49.1 | 41% | 0.408 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 126.5 | 175.4 | -170.5 | -174.8 | 73.4 | -167.5 | 4.4 | 110.2 | E90 Y100 N127 | E90-R98 HydrophobicContact CB-CG 4.38Å; E90-R98 HydrophobicContact CG-CG 4.45Å; R98-Y100 VanDerWaalsContact CG-O 3.28Å; R98-Y100 WeakPolarHBondContact CG-O 3.46Å; R98-N127 PolarHBondContact NE-OD1 3.17Å; R98-N127 PolarHBondContact NH2-OD1 3.48Å; R98-N127 PolarHBondContact O-ND2 3.3Å |
| 99 | I | 94.9 | Very high | 84 | Confident | 7 Ų | 7 | 54.7 Ų | 54.7 | 4% | 0.036 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | -35.2 | 178.3 | 60.3 | 169.8 | 0 | 0 | 0 | 111.2 | Y61 L62 L65 I91 N93 Q97 | Y61-I99 HydrophobicContact CD1-CB 3.98Å; Y61-I99 HydrophobicContact CD1-CD1 4.19Å; Y61-I99 HydrophobicContact CD1-CG2 3.65Å; Y61-I99 HydrophobicContact CE1-CB 4.05Å; Y61-I99 HydrophobicContact CE1-CG2 3.19Å; Y61-I99 HydrophobicContact CE2-CG2 4.43Å; Y61-I99 HydrophobicContact CG-CG2 4.44Å; L62-I99 HydrophobicContact CD2-CD1 4.37Å; L65-I99 HydrophobicContact CD1-CD1 3.36Å; I91-I99 HydrophobicContact CB-CG1 4.35Å; I91-I99 HydrophobicContact CG2-CD1 4.01Å; I91-I99 HydrophobicContact CG2-CG1 3.96Å; I91-I99 WeakPolarHBondContact O-CG1 3.23Å; I91-I99 PolarHBondContact O-N 3.4Å; N93-I99 HydrophobicContact CB-CG2 4.1Å; Q97-I99 PolarHBondContact O-N 3.11Å |
| 100 | Y | 96.3 | Very high | 81.7 | Confident | 6 Ų | 6 | 59.3 Ų | 59.3 | 2% | 0.024 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 163.8 | 174.7 | -54.8 | -72.3 | 0 | 0 | 0 | 110.7 | G58 L62 I91 R98 I124 T125 D126 V132 | G58-Y100 WeakPolarHBondContact O-CE1 3.14Å; G58-Y100 PolarHBondContact O-OH 2.7Å; L62-Y100 HydrophobicContact CD2-CE2 3.73Å; L62-Y100 HydrophobicContact CG-CE2 3.98Å; I91-Y100 HydrophobicContact CG2-CD2 4.32Å; I91-Y100 PolarHBondContact N-O 3.3Å; I91-Y100 PolarHBondContact O-N 2.9Å; R98-Y100 VanDerWaalsContact CG-O 3.28Å; R98-Y100 WeakPolarHBondContact CG-O 3.46Å; Y100-I124 HydrophobicContact CD1-CG2 4.48Å; Y100-I124 HydrophobicContact CG-CG2 4.1Å; Y100-T125 CarbonylContact C-O 3.51Å; Y100-T125 WeakPolarHBondContact CA-O 3.27Å; Y100-T125 WeakPolarHBondContact CB-O 3.49Å; Y100-D126 HydrophobicContact CD1-CB 4.24Å; Y100-D126 HydrophobicContact CE1-CB 4.3Å; Y100-V132 HydrophobicContact CD1-CG2 3.69Å; Y100-V132 HydrophobicContact CE1-CG2 3.67Å |
| 101 | F | 95.1 | Very high | 79.8 | Confident | 53 Ų | 53 | 65.3 Ų | 65.3 | 23% | 0.232 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 127.6 | 173.8 | -174.8 | -107.7 | 0 | 0 | 0 | 109.9 | K88 Y89 E90 V103 I124 T125 | K88-F101 HydrophobicContact CB-CE2 4.37Å; K88-F101 HydrophobicContact CB-CZ 3.92Å; K88-F101 HydrophobicContact CD-CZ 4.16Å; K88-F101 HydrophobicContact CG-CZ 4.12Å; Y89-F101 VanDerWaalsContact O-CD2 3.29Å; Y89-F101 WeakPolarHBondContact O-CD2 3.19Å; E90-F101 HydrophobicContact CG-CD2 4.1Å; E90-F101 HydrophobicContact CG-CE2 4.34Å; F101-V103 HydrophobicContact CD1-CG2 3.81Å; F101-V103 HydrophobicContact CE1-CG2 3.33Å; F101-V103 HydrophobicContact CZ-CG2 4.21Å; F101-I124 CarbonylContact O-C 3.51Å; F101-I124 WeakPolarHBondContact O-CA 3.4Å; F101-T125 PolarHBondContact N-O 3.47Å; F101-T125 PolarHBondContact O-N 3.28Å; F101-T125 PolarHBondContact O-OG1 3.22Å |
| 102 | A | 93.2 | Very high | 77.4 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 135.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | K88 Y89 I91 R123 I124 F258 | K88-A102 WeakPolarHBondContact CA-O 3.39Å; Y89-A102 PolarHBondContact N-O 2.98Å; Y89-A102 PolarHBondContact O-N 3.21Å; I91-A102 HydrophobicContact CD1-CB 4.43Å; A102-R123 CarbonylContact C-O 3.59Å; A102-R123 VanDerWaalsContact CA-O 3.32Å; A102-R123 WeakPolarHBondContact CA-O 3.43Å; A102-I124 HydrophobicContact CB-CG1 3.89Å; A102-F258 HydrophobicContact CB-CE1 4.4Å; A102-F258 HydrophobicContact CB-CE2 4.45Å; A102-F258 HydrophobicContact CB-CZ 3.76Å |
| 103 | V | 89.9 | Confident | 74.8 | Confident | 36 Ų | 36 | 78.6 Ų | 78.6 | 22% | 0.218 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 132 | 173.7 | -176.7 | 0 | 0 | 0 | 0 | 108.6 | K88 F101 L122 R123 | K88-V103 HydrophobicContact CG-CG2 4.41Å; F101-V103 HydrophobicContact CD1-CG2 3.81Å; F101-V103 HydrophobicContact CE1-CG2 3.33Å; F101-V103 HydrophobicContact CZ-CG2 4.21Å; V103-L122 WeakPolarHBondContact O-CA 3.44Å; V103-R123 PolarHBondContact N-O 3.36Å; V103-R123 PolarHBondContact O-N 3.45Å |
| 104 | E | 85.9 | Confident | 72.6 | Confident | 5 Ų | 5 | 80.3 Ų | 80.3 | 2% | 0.023 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 120.9 | 175 | -165 | -149.9 | 118.1 | 0 | 0 | 111 | S86 N87 S106 R118 C120 L122 F262 | S86-E104 WeakPolarHBondContact CB-O 3.42Å; S86-E104 PolarHBondContact OG-O 3.09Å; N87-E104 HydrophobicContact CB-CB 3.99Å; N87-E104 WeakPolarHBondContact CB-OE2 2.84Å; N87-E104 PolarHBondContact ND2-OE2 2.81Å; N87-E104 WeakPolarHBondContact O-CB 3.41Å; N87-E104 PolarHBondContact O-N 3.01Å; E104-S106 WeakPolarHBondContact OE1-CB 3.23Å; E104-S106 PolarHBondContact OE1-OG 2.82Å; E104-R118 IonicContact OE1-CZ 3.78Å; E104-R118 VanDerWaalsContact OE1-CZ 3.26Å; E104-R118 IonicContact OE1-NH1 2.71Å; E104-R118 PolarHBondContact OE1-NH1 3.46Å; E104-R118 IonicContact OE1-NH2 3.6Å; E104-R118 PolarHBondContact OE1-NH2 2.83Å; E104-R118 IonicContact OE2-CZ 3.59Å; E104-R118 IonicContact OE2-NH1 2.81Å; E104-R118 PolarHBondContact OE2-NH1 2.84Å; E104-R118 IonicContact OE2-NH2 3.86Å; E104-R118 PolarHBondContact OE2-NH2 2.85Å; E104-C120 HydrophobicContact CG-CB 4.06Å; E104-L122 HydrophobicContact CB-CD2 4.3Å; E104-L122 HydrophobicContact CG-CD2 4.48Å; E104-L122 HydrophobicContact CG-CG 4.35Å; E104-F262 HydrophobicContact CG-CZ 4.09Å; E104-F262 WeakPolarHBondContact OE2-CE1 3.45Å; E104-F262 WeakPolarHBondContact OE2-CZ 3.28Å |
| 105 | E | 81.8 | Confident | 71 | Confident | 95 Ų | 95 | 79.3 Ų | 79.3 | 44% | 0.444 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 107.3 | 169.3 | -67.8 | -178.4 | 171.9 | 0 | 0 | 108.6 | C120 T121 R123 | E105-C120 WeakPolarHBondContact O-CA 3.28Å; E105-T121 PolarHBondContact N-O 3.24Å; E105-T121 PolarHBondContact O-N 2.81Å; E105-R123 VanDerWaalsContact CD-CD 3.46Å; E105-R123 VanDerWaalsContact OE1-CD 3.3Å; E105-R123 WeakPolarHBondContact OE1-CD 3.2Å; E105-R123 IonicContact OE1-NE 3.75Å; E105-R123 WeakPolarHBondContact OE2-CD 3.47Å; E105-R123 IonicContact OE2-NE 3.88Å; E105-R123 PolarHBondContact OE2-NE 3.4Å |
| 106 | S | 68.4 | Low | 69.3 | Low | 49 Ų | 49 | 74 Ų | 74 | 34% | 0.343 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 135.8 | 175.5 | -94.6 | 0 | 0 | 0 | 0 | 110.5 | E104 R118 | E104-S106 WeakPolarHBondContact OE1-CB 3.23Å; E104-S106 PolarHBondContact OE1-OG 2.82Å; S106-R118 PolarHBondContact OG-NH1 3.22Å |
| 107 | I | 56.9 | Low | 67.8 | Low | 124 Ų | 124 | 75.4 Ų | 75.4 | 64% | 0.636 | 38% | 0.376 | S | S | * | . | trans | -90.1 | -8.2 | -175.6 | -59.4 | 168.5 | 0 | 0 | 0 | 112 | ||||
| 108 | C | 48.8 | Very low | 66.6 | Low | 64 Ų | 64 | 71.5 Ų | 71.5 | 43% | 0.432 | 36% | 0.357 | S | S | . | . | trans | -110.6 | 115.1 | -170.7 | -153.2 | 0 | 0 | 0 | 0 | 113.5 | N110 | C108-N110 PolarHBondContact O-N 3.26Å; C108-N110 VanDerWaalsContact O-N 3.15Å | ||
| 109 | F | 47.3 | Very low | 65.8 | Low | 177 Ų | 177 | 67.5 Ų | 67.5 | 78% | 0.776 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -74.8 | 16.2 | -179.8 | -71.3 | -86 | 0 | 0 | 0 | 115.2 | ||
| 110 | N | 41.3 | Very low | 65.1 | Low | 99 Ų | 99 | 67.2 Ų | 67.2 | 53% | 0.529 | 34% | 0.344 | S | S | . | . | trans | -148.3 | 88.9 | -178.3 | -137.8 | -36.8 | 0 | 0 | 0 | 112.9 | C108 T112 | C108-N110 PolarHBondContact O-N 3.26Å; C108-N110 VanDerWaalsContact O-N 3.15Å; N110-T112 PolarHBondContact O-N 3.2Å | ||
| 111 | R | 51.3 | Low | 64.8 | Low | 163 Ų | 163 | 68.5 Ų | 68.5 | 62% | 0.615 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -20.6 | -177.4 | -160.1 | 173.8 | -177.8 | -163.4 | 0.7 | 113.7 | ||
| 112 | T | 44.9 | Very low | 64.6 | Low | 131 Ų | 131 | 66.1 Ų | 66.1 | 80% | 0.804 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -24.2 | -172.9 | -44.4 | 0 | 0 | 0 | 0 | 114.1 | N110 | N110-T112 PolarHBondContact O-N 3.2Š|
| 113 | F | 38.2 | Very low | 64.7 | Low | 187 Ų | 187 | 70.7 Ų | 70.7 | 82% | 0.82 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.6 | -15.7 | -176.4 | -146.4 | -101.7 | 0 | 0 | 0 | 113.8 | ||
| 114 | C | 45.1 | Very low | 65 | Low | 43 Ų | 43 | 69 Ų | 69 | 29% | 0.291 | 35% | 0.349 | S | S | . | . | trans | -134.6 | 26.2 | -170.5 | -64.4 | 0 | 0 | 0 | 0 | 114.5 | T116 L117 R118 | C114-T116 PolarHBondContact O-N 2.76Å; C114-L117 PolarHBondContact O-N 2.84Å; C114-L117 VanDerWaalsContact O-N 3.13Å; C114-R118 PolarHBondContact O-N 3.5Å | ||
| 115 | S | 54.3 | Low | 65.5 | Low | 39 Ų | 39 | 70.1 Ų | 70.1 | 27% | 0.273 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48 | -53.2 | -169.7 | 63 | 0 | 0 | 0 | 0 | 114.4 | ||
| 116 | T | 51.3 | Low | 66.1 | Low | 24 Ų | 24 | 66.5 Ų | 66.5 | 15% | 0.147 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -7.5 | -177.9 | 54.5 | 0 | 0 | 0 | 0 | 114.5 | C114 R137 H267 | C114-T116 PolarHBondContact O-N 2.76Å; T116-R137 PolarHBondContact O-NH2 3.26Å; T116-H267 VanDerWaalsContact CG2-NE2 3.33Å; T116-H267 WeakPolarHBondContact CG2-NE2 3.09Å |
| 117 | L | 55.6 | Low | 67.2 | Low | 68 Ų | 68 | 68.5 Ų | 68.5 | 36% | 0.356 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 3 | -170.2 | -64.1 | 177.2 | 0 | 0 | 0 | 114 | C114 L139 R140 C141 | C114-L117 PolarHBondContact O-N 2.84Å; C114-L117 VanDerWaalsContact O-N 3.13Å; L117-L139 WeakPolarHBondContact O-CD2 3.02Å; L117-R140 VanDerWaalsContact CD2-O 3.23Å; L117-R140 WeakPolarHBondContact CD2-O 3.12Å; L117-C141 HydrophobicContact CD2-CB 4.47Å |
| 118 | R | 66 | Low | 68.9 | Low | 23 Ų | 23 | 67.9 Ų | 67.9 | 9% | 0.087 | 35% | 0.354 | C | S | . | . | trans | -74.2 | 138.7 | -173 | 63.1 | -168 | -175.5 | 80.6 | -15.3 | 113.6 | E104 S106 C114 R137 E266 | E104-R118 IonicContact OE1-CZ 3.78Å; E104-R118 VanDerWaalsContact OE1-CZ 3.26Å; E104-R118 IonicContact OE1-NH1 2.71Å; E104-R118 PolarHBondContact OE1-NH1 3.46Å; E104-R118 IonicContact OE1-NH2 3.6Å; E104-R118 PolarHBondContact OE1-NH2 2.83Å; E104-R118 IonicContact OE2-CZ 3.59Å; E104-R118 IonicContact OE2-NH1 2.81Å; E104-R118 PolarHBondContact OE2-NH1 2.84Å; E104-R118 IonicContact OE2-NH2 3.86Å; E104-R118 PolarHBondContact OE2-NH2 2.85Å; S106-R118 PolarHBondContact OG-NH1 3.22Å; C114-R118 PolarHBondContact O-N 3.5Å; R118-R137 PolarHBondContact O-NH1 2.61Å; R118-E266 IonicContact CZ-OE1 3.69Å; R118-E266 IonicContact NE-OE1 2.7Å; R118-E266 IonicContact NE-OE2 3.34Å; R118-E266 IonicContact NH2-OE1 2.93Å; R118-E266 PolarHBondContact NH2-OE1 3.24Å; R118-E266 IonicContact NH2-OE2 2.98Å | ||
| 119 | S | 75.6 | Confident | 70.8 | Confident | 24 Ų | 24 | 67.5 Ų | 67.5 | 17% | 0.168 | 36% | 0.36 | C | S | . | . | trans | -79 | 136.6 | 162.9 | 50.2 | 0 | 0 | 0 | 0 | 108.1 | R137 | S119-R137 WeakPolarHBondContact CA-O 3.44Å; S119-R137 VanDerWaalsContact CB-O 3.23Å; S119-R137 WeakPolarHBondContact CB-O 3.5Å | ||
| 120 | C | 81.1 | Confident | 73 | Confident | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.007 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 152 | 175.9 | 62 | 0 | 0 | 0 | 0 | 109.7 | E104 E105 R137 | E104-C120 HydrophobicContact CG-CB 4.06Å; E105-C120 WeakPolarHBondContact O-CA 3.28Å; C120-R137 PolarHBondContact N-O 2.55Å; C120-R137 WeakPolarHBondContact O-CB 3.35Å; C120-R137 PolarHBondContact O-N 2.93Å |
| 121 | T | 89.4 | Confident | 75.6 | Confident | 34 Ų | 34 | 63.2 Ų | 63.2 | 21% | 0.209 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 123 | 169.5 | -67.7 | 0 | 0 | 0 | 0 | 107.5 | E105 R123 T134 V135 N136 | E105-T121 PolarHBondContact N-O 3.24Å; E105-T121 PolarHBondContact O-N 2.81Å; T121-R123 HydrophobicContact CG2-CG 4.25Å; T121-T134 HydrophobicContact CG2-CG2 3.59Å; T121-V135 CarbonylContact C-O 3.57Å; T121-V135 WeakPolarHBondContact CA-O 3.12Å; T121-N136 WeakPolarHBondContact CG2-OD1 3.39Å; T121-N136 PolarHBondContact OG1-OD1 3.25Å |
| 122 | L | 91.2 | Very high | 77.7 | Confident | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 124.1 | 167 | -66.1 | 117 | 0 | 0 | 0 | 109.1 | Y89 V103 E104 T134 V135 F258 F262 | Y89-L122 HydrophobicContact CD2-CD2 4.47Å; Y89-L122 HydrophobicContact CE2-CD2 4.33Å; V103-L122 WeakPolarHBondContact O-CA 3.44Å; E104-L122 HydrophobicContact CB-CD2 4.3Å; E104-L122 HydrophobicContact CG-CD2 4.48Å; E104-L122 HydrophobicContact CG-CG 4.35Å; L122-T134 WeakPolarHBondContact O-CA 3.1Å; L122-V135 HydrophobicContact CB-CB 4.18Å; L122-V135 HydrophobicContact CD1-CB 4.25Å; L122-V135 HydrophobicContact CD1-CG1 4.28Å; L122-V135 PolarHBondContact N-O 3.13Å; L122-V135 PolarHBondContact O-N 3.42Å; L122-F258 HydrophobicContact CD1-CB 3.75Å; L122-F258 HydrophobicContact CD1-CD2 4.11Å; L122-F258 HydrophobicContact CD1-CG 3.95Å; L122-F258 HydrophobicContact CD2-CB 4.24Å; L122-F258 HydrophobicContact CD2-CD1 3.65Å; L122-F258 HydrophobicContact CD2-CD2 3.96Å; L122-F258 HydrophobicContact CD2-CE1 3.91Å; L122-F258 HydrophobicContact CD2-CE2 4.18Å; L122-F258 HydrophobicContact CD2-CG 3.69Å; L122-F258 HydrophobicContact CD2-CZ 4.17Å; L122-F258 HydrophobicContact CG-CG 4.46Å; L122-F262 HydrophobicContact CD1-CE2 4.07Å |
| 123 | R | 94.2 | Very high | 80.2 | Confident | 96 Ų | 96 | 49.3 Ų | 49.3 | 36% | 0.362 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 117.6 | 173.4 | -68.9 | 177.3 | 144.9 | -91.9 | -28.8 | 108.7 | A102 V103 E105 T121 E131 | A102-R123 CarbonylContact C-O 3.59Å; A102-R123 VanDerWaalsContact CA-O 3.32Å; A102-R123 WeakPolarHBondContact CA-O 3.43Å; V103-R123 PolarHBondContact N-O 3.36Å; V103-R123 PolarHBondContact O-N 3.45Å; E105-R123 VanDerWaalsContact CD-CD 3.46Å; E105-R123 VanDerWaalsContact OE1-CD 3.3Å; E105-R123 WeakPolarHBondContact OE1-CD 3.2Å; E105-R123 IonicContact OE1-NE 3.75Å; E105-R123 WeakPolarHBondContact OE2-CD 3.47Å; E105-R123 IonicContact OE2-NE 3.88Å; E105-R123 PolarHBondContact OE2-NE 3.4Å; T121-R123 HydrophobicContact CG2-CG 4.25Å; R123-E131 IonicContact CZ-OE1 3.61Å; R123-E131 IonicContact CZ-OE2 2.64Å; R123-E131 IonicContact NH1-OE1 3.5Å; R123-E131 IonicContact NH1-OE2 3.61Å; R123-E131 PolarHBondContact NH1-OE2 2.78Å; R123-E131 IonicContact NH2-OE1 2.84Å; R123-E131 IonicContact NH2-OE2 2.82Å; R123-E131 PolarHBondContact NH2-OE2 2.87Å |
| 124 | I | 95.9 | Very high | 83 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 123.5 | -180 | -52.4 | 178.4 | 0 | 0 | 0 | 108.3 | I91 Y100 F101 A102 V132 I133 V135 I254 F258 | I91-I124 HydrophobicContact CD1-CD1 4.21Å; I91-I124 HydrophobicContact CD1-CG2 3.87Å; Y100-I124 HydrophobicContact CD1-CG2 4.48Å; Y100-I124 HydrophobicContact CG-CG2 4.1Å; F101-I124 CarbonylContact O-C 3.51Å; F101-I124 WeakPolarHBondContact O-CA 3.4Å; A102-I124 HydrophobicContact CB-CG1 3.89Å; I124-V132 HydrophobicContact CG2-CG2 4.38Å; I124-V132 WeakPolarHBondContact O-CG2 3.41Å; I124-V132 PolarHBondContact O-N 2.95Å; I124-I133 HydrophobicContact CB-CB 3.96Å; I124-I133 WeakPolarHBondContact CB-O 3.37Å; I124-I133 HydrophobicContact CD1-CB 4.01Å; I124-I133 HydrophobicContact CD1-CD1 4.35Å; I124-I133 HydrophobicContact CD1-CG2 4.04Å; I124-I133 HydrophobicContact CG1-CB 4.32Å; I124-I133 PolarHBondContact N-O 3.03Å; I124-I133 PolarHBondContact O-N 2.79Å; I124-V135 HydrophobicContact CD1-CG2 4.3Å; I124-I254 HydrophobicContact CD1-CG2 3.84Å; I124-F258 HydrophobicContact CD1-CE2 4.03Å |
| 125 | T | 96.1 | Very high | 85.4 | Confident | 29 Ų | 29 | 38.7 Ų | 38.7 | 18% | 0.178 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 147 | -176.4 | 55.7 | 0 | 0 | 0 | 0 | 111.1 | Y100 F101 R130 E131 | Y100-T125 CarbonylContact C-O 3.51Å; Y100-T125 WeakPolarHBondContact CA-O 3.27Å; Y100-T125 WeakPolarHBondContact CB-O 3.49Å; F101-T125 PolarHBondContact N-O 3.47Å; F101-T125 PolarHBondContact O-N 3.28Å; F101-T125 PolarHBondContact O-OG1 3.22Å; T125-R130 CarbonylContact C-O 3.51Å; T125-R130 WeakPolarHBondContact CA-O 3.44Å; T125-E131 HydrophobicContact CG2-CB 4.37Å |
| 126 | D | 94.5 | Very high | 87.2 | Confident | 20 Ų | 20 | 38.7 Ų | 38.7 | 11% | 0.107 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 174.7 | 167.6 | 69.5 | 24.3 | 0 | 0 | 0 | 111.7 | Y100 S128 G129 R130 V132 | Y100-D126 HydrophobicContact CD1-CB 4.24Å; Y100-D126 HydrophobicContact CE1-CB 4.3Å; D126-S128 PolarHBondContact O-N 3.02Å; D126-S128 VanDerWaalsContact O-N 3.1Å; D126-S128 VanDerWaalsContact OD1-CA 3.3Å; D126-S128 WeakPolarHBondContact OD1-CA 3.14Å; D126-S128 VanDerWaalsContact OD1-CB 3.27Å; D126-S128 WeakPolarHBondContact OD1-CB 3.44Å; D126-S128 PolarHBondContact OD1-N 2.86Å; D126-G129 PolarHBondContact O-N 3.33Å; D126-G129 PolarHBondContact OD1-N 3.4Å; D126-R130 PolarHBondContact N-O 3.21Å; D126-R130 PolarHBondContact OD1-N 3.24Å; D126-R130 IonicContact OD2-CZ 3.64Å; D126-R130 IonicContact OD2-NE 2.69Å; D126-R130 PolarHBondContact OD2-NE 2.62Å; D126-R130 IonicContact OD2-NH2 3.51Å; D126-R130 PolarHBondContact OD2-NH2 3.21Å; D126-V132 HydrophobicContact CB-CG1 4.02Å |
| 127 | N | 91.4 | Very high | 88.9 | Confident | 90 Ų | 90 | 37.9 Ų | 37.9 | 48% | 0.481 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -11.7 | 179.1 | -77.3 | -35.1 | 0 | 0 | 0 | 114.4 | R98 G129 | R98-N127 PolarHBondContact NE-OD1 3.17Å; R98-N127 PolarHBondContact NH2-OD1 3.48Å; R98-N127 PolarHBondContact O-ND2 3.3Å; N127-G129 VanDerWaalsContact C-N 3.33Å |
| 128 | S | 92.9 | Very high | 90.1 | Very high | 112 Ų | 112 | 37 Ų | 37 | 78% | 0.783 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -0.1 | 172.9 | -49.3 | 0 | 0 | 0 | 0 | 112.2 | D126 R130 | D126-S128 PolarHBondContact O-N 3.02Å; D126-S128 VanDerWaalsContact O-N 3.1Å; D126-S128 VanDerWaalsContact OD1-CA 3.3Å; D126-S128 WeakPolarHBondContact OD1-CA 3.14Å; D126-S128 VanDerWaalsContact OD1-CB 3.27Å; D126-S128 WeakPolarHBondContact OD1-CB 3.44Å; D126-S128 PolarHBondContact OD1-N 2.86Å; S128-R130 VanDerWaalsContact C-N 3.32Å |
| 129 | G | 89.9 | Confident | 90.1 | Very high | 55 Ų | 55 | 41.3 Ų | 41.3 | 57% | 0.567 | 23% | 0.229 | S | C | * | . | S | Bend | trans | 80.8 | 8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | D126 N127 | D126-G129 PolarHBondContact O-N 3.33Å; D126-G129 PolarHBondContact OD1-N 3.4Å; N127-G129 VanDerWaalsContact C-N 3.33Å |
| 130 | R | 93.8 | Very high | 89.7 | Confident | 149 Ų | 149 | 43.6 Ų | 43.6 | 56% | 0.562 | 23% | 0.234 | S | C | * | . | trans | -82.6 | 131.1 | 176.8 | 174.6 | -178.4 | 56.9 | 177 | -0.3 | 109.5 | T125 D126 S128 V132 | T125-R130 CarbonylContact C-O 3.51Å; T125-R130 WeakPolarHBondContact CA-O 3.44Å; D126-R130 PolarHBondContact N-O 3.21Å; D126-R130 PolarHBondContact OD1-N 3.24Å; D126-R130 IonicContact OD2-CZ 3.64Å; D126-R130 IonicContact OD2-NE 2.69Å; D126-R130 PolarHBondContact OD2-NE 2.62Å; D126-R130 IonicContact OD2-NH2 3.51Å; D126-R130 PolarHBondContact OD2-NH2 3.21Å; S128-R130 VanDerWaalsContact C-N 3.32Å; R130-V132 PolarHBondContact O-N 2.52Å | ||
| 131 | E | 94.8 | Very high | 88.6 | Confident | 37 Ų | 37 | 46 Ų | 46 | 17% | 0.173 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 126.5 | 175.4 | -165.5 | -177.3 | 174.3 | 0 | 0 | 110.6 | R123 T125 T134 P159 | R123-E131 IonicContact CZ-OE1 3.61Å; R123-E131 IonicContact CZ-OE2 2.64Å; R123-E131 IonicContact NH1-OE1 3.5Å; R123-E131 IonicContact NH1-OE2 3.61Å; R123-E131 PolarHBondContact NH1-OE2 2.78Å; R123-E131 IonicContact NH2-OE1 2.84Å; R123-E131 IonicContact NH2-OE2 2.82Å; R123-E131 PolarHBondContact NH2-OE2 2.87Å; T125-E131 HydrophobicContact CG2-CB 4.37Å; E131-T134 PolarHBondContact OE1-OG1 2.96Å; E131-P159 HydrophobicContact CB-CG 3.97Å; E131-P159 HydrophobicContact CG-CG 3.52Å |
| 132 | V | 96.4 | Very high | 87.1 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.012 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | -31.4 | -175 | -67.9 | 0 | 0 | 0 | 0 | 112.7 | Y100 I124 D126 R130 | Y100-V132 HydrophobicContact CD1-CG2 3.69Å; Y100-V132 HydrophobicContact CE1-CG2 3.67Å; I124-V132 HydrophobicContact CG2-CG2 4.38Å; I124-V132 WeakPolarHBondContact O-CG2 3.41Å; I124-V132 PolarHBondContact O-N 2.95Å; D126-V132 HydrophobicContact CB-CG1 4.02Å; R130-V132 PolarHBondContact O-N 2.52Å |
| 133 | I | 97 | Very high | 85.3 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 135.5 | 176.2 | -54.2 | 163.1 | 0 | 0 | 0 | 108.7 | L59 I124 V135 I155 Q156 A157 A251 | L59-I133 HydrophobicContact CD2-CD1 3.54Å; L59-I133 HydrophobicContact CD2-CG1 3.5Å; I124-I133 HydrophobicContact CB-CB 3.96Å; I124-I133 WeakPolarHBondContact CB-O 3.37Å; I124-I133 HydrophobicContact CD1-CB 4.01Å; I124-I133 HydrophobicContact CD1-CD1 4.35Å; I124-I133 HydrophobicContact CD1-CG2 4.04Å; I124-I133 HydrophobicContact CG1-CB 4.32Å; I124-I133 PolarHBondContact N-O 3.03Å; I124-I133 PolarHBondContact O-N 2.79Å; I133-V135 HydrophobicContact CG2-CG2 4.07Å; I133-I155 HydrophobicContact CG2-CG2 4.02Å; I133-Q156 CarbonylContact C-O 3.59Å; I133-Q156 VanDerWaalsContact CA-O 3.26Å; I133-Q156 WeakPolarHBondContact CA-O 3.33Å; I133-A157 HydrophobicContact CG1-CB 4.3Å; I133-A251 HydrophobicContact CD1-CB 3.97Å |
| 134 | T | 96.2 | Very high | 83.1 | Confident | 8 Ų | 8 | 49.4 Ų | 49.4 | 5% | 0.049 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 127.2 | 167.5 | -45.7 | 0 | 0 | 0 | 0 | 108.3 | T121 L122 E131 Q156 P159 | T121-T134 HydrophobicContact CG2-CG2 3.59Å; L122-T134 WeakPolarHBondContact O-CA 3.1Å; E131-T134 PolarHBondContact OE1-OG1 2.96Å; T134-Q156 PolarHBondContact N-O 2.97Å; T134-Q156 PolarHBondContact O-N 2.81Å; T134-P159 WeakPolarHBondContact OG1-CB 3.24Å; T134-P159 WeakPolarHBondContact OG1-CG 3.4Å |
| 135 | V | 95.1 | Very high | 81 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 116.7 | 173.7 | 179.9 | 0 | 0 | 0 | 0 | 108.5 | T121 L122 I124 I133 L153 E154 I155 | T121-V135 CarbonylContact C-O 3.57Å; T121-V135 WeakPolarHBondContact CA-O 3.12Å; L122-V135 HydrophobicContact CB-CB 4.18Å; L122-V135 HydrophobicContact CD1-CB 4.25Å; L122-V135 HydrophobicContact CD1-CG1 4.28Å; L122-V135 PolarHBondContact N-O 3.13Å; L122-V135 PolarHBondContact O-N 3.42Å; I124-V135 HydrophobicContact CD1-CG2 4.3Å; I133-V135 HydrophobicContact CG2-CG2 4.07Å; V135-L153 HydrophobicContact CG1-CB 4.34Å; V135-L153 HydrophobicContact CG1-CD1 4.26Å; V135-L153 HydrophobicContact CG1-CD2 4.23Å; V135-E154 WeakPolarHBondContact CA-O 3.46Å; V135-I155 HydrophobicContact CB-CD1 4.26Å; V135-I155 HydrophobicContact CG1-CD1 3.79Å; V135-I155 HydrophobicContact CG2-CD1 3.79Å |
| 136 | N | 92.4 | Very high | 79 | Confident | 39 Ų | 39 | 61.8 Ų | 61.8 | 21% | 0.209 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 120.8 | -180 | -68.9 | -35.7 | 0 | 0 | 0 | 110.2 | T121 L153 E154 Q156 | T121-N136 WeakPolarHBondContact CG2-OD1 3.39Å; T121-N136 PolarHBondContact OG1-OD1 3.25Å; N136-L153 WeakPolarHBondContact O-CA 3.16Å; N136-E154 HydrophobicContact CB-CB 4.31Å; N136-E154 PolarHBondContact N-O 2.89Å; N136-E154 PolarHBondContact O-N 2.76Å; N136-Q156 PolarHBondContact ND2-NE2 2.99Å |
| 137 | R | 87.6 | Confident | 77.2 | Confident | 7 Ų | 7 | 65.6 Ų | 65.6 | 3% | 0.026 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 109.2 | 172.5 | -174.8 | 178.8 | 174 | -137.2 | -3.9 | 109.8 | T116 R118 S119 C120 L153 | T116-R137 PolarHBondContact O-NH2 3.26Å; R118-R137 PolarHBondContact O-NH1 2.61Å; S119-R137 WeakPolarHBondContact CA-O 3.44Å; S119-R137 VanDerWaalsContact CB-O 3.23Å; S119-R137 WeakPolarHBondContact CB-O 3.5Å; C120-R137 PolarHBondContact N-O 2.55Å; C120-R137 WeakPolarHBondContact O-CB 3.35Å; C120-R137 PolarHBondContact O-N 2.93Å; R137-L153 HydrophobicContact CB-CD2 3.49Å; R137-L153 VanDerWaalsContact CB-CD2 3.49Å; R137-L153 HydrophobicContact CG-CD2 3.68Å |
| 138 | P | 79.7 | Confident | 75.4 | Confident | 48 Ų | 48 | 64 Ų | 64 | 31% | 0.312 | 36% | 0.357 | S | S | . | . | trans | -67.4 | 160.3 | 170.7 | 27.5 | -34.8 | 0 | 0 | 0 | 112.4 | R140 E152 | P138-R140 HydrophobicContact CG-CG 4.1Å; P138-R140 PolarHBondContact O-N 2.92Å; P138-E152 VanDerWaalsContact CD-O 3.27Å; P138-E152 WeakPolarHBondContact CD-O 3.36Å | ||
| 139 | L | 67.3 | Low | 74 | Confident | 115 Ų | 115 | 65.9 Ų | 65.9 | 60% | 0.602 | 35% | 0.348 | S | S | * | . | trans | -61.4 | 117.8 | 170.7 | -67 | 169.5 | 0 | 0 | 0 | 109.6 | L117 | L117-L139 WeakPolarHBondContact O-CD2 3.02Š| ||
| 140 | R | 67.4 | Low | 73.4 | Confident | 71 Ų | 71 | 65.9 Ų | 65.9 | 27% | 0.268 | 33% | 0.334 | S | S | . | . | trans | -144.7 | 152.2 | -177 | -64.8 | -65.6 | -176.1 | 163.4 | 4.5 | 110.9 | L117 P138 Q151 E152 | L117-R140 VanDerWaalsContact CD2-O 3.23Å; L117-R140 WeakPolarHBondContact CD2-O 3.12Å; P138-R140 HydrophobicContact CG-CG 4.1Å; P138-R140 PolarHBondContact O-N 2.92Å; R140-Q151 PolarHBondContact O-NE2 3.14Å; R140-Q151 VanDerWaalsContact O-NE2 3.15Å; R140-E152 IonicContact NH2-OE1 2.82Å | ||
| 141 | C | 57.8 | Low | 73 | Confident | 51 Ų | 51 | 58.9 Ų | 58.9 | 35% | 0.345 | 31% | 0.308 | S | S | . | . | trans | -77.8 | 149.9 | -178.1 | -70.4 | 0 | 0 | 0 | 0 | 112.4 | L117 C148 Y149 Q151 | L117-C141 HydrophobicContact CD2-CB 4.47Å; C141-C148 WeakPolarHBondContact CB-O 3.28Å; C141-Y149 PolarHBondContact N-O 3.08Å; C141-Y149 VanDerWaalsContact N-O 3.1Å; C141-Q151 PolarHBondContact O-NE2 2.87Å | ||
| 142 | N | 57.1 | Low | 72.7 | Confident | 57 Ų | 57 | 59.5 Ų | 59.5 | 31% | 0.305 | 31% | 0.311 | S | S | . | . | trans | -109.1 | 17 | 178.2 | -160.3 | 23.2 | 0 | 0 | 0 | 113.4 | M263 | N142-M263 WeakPolarHBondContact OD1-CE 3.48Š| ||
| 143 | S | 54 | Low | 72.5 | Confident | 65 Ų | 65 | 59.6 Ų | 59.6 | 46% | 0.455 | 31% | 0.311 | S | S | . | . | trans | -86.8 | 120.5 | -175.4 | -173.5 | 0 | 0 | 0 | 0 | 112.1 | W145 | S143-W145 PolarHBondContact O-N 3.48Å; S143-W145 PolarHBondContact OG-N 3.23Å | ||
| 144 | C | 48.3 | Very low | 72.5 | Confident | 83 Ų | 83 | 61.9 Ų | 61.9 | 56% | 0.561 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -21.6 | 174.1 | -172.4 | 0 | 0 | 0 | 0 | 113.2 | W170 | C144-W170 PolarHBondContact O-NE1 3.08Š|
| 145 | W | 52.2 | Low | 72.5 | Confident | 241 Ų | 241 | 61.5 Ų | 61.5 | 91% | 0.913 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -3.3 | -171 | -60.1 | 94.2 | 0 | 0 | 0 | 114.4 | S143 | S143-W145 PolarHBondContact O-N 3.48Å; S143-W145 PolarHBondContact OG-N 3.23Å |
| 146 | C | 52.7 | Low | 72.6 | Confident | 48 Ų | 48 | 62.9 Ų | 62.9 | 32% | 0.324 | 33% | 0.326 | S | S | . | . | trans | -136.9 | 127.8 | 174.2 | -178.3 | 0 | 0 | 0 | 0 | 109.1 | C148 | C146-C148 HydrophobicContact CB-CB 4.44Å; C146-C148 WeakPolarHBondContact CB-SG 3.4Å; C146-C148 PolarHBondContact O-N 3.36Å; C146-C148 WeakPolarHBondContact SG-CB 3.3Å; C146-C148 CovalentContact SG-SG 2.05Å; C146-C148 PolarHBondContact SG-SG 2.94Å | ||
| 147 | P | 57.9 | Low | 72.8 | Confident | 100 Ų | 100 | 61.1 Ų | 61.1 | 65% | 0.649 | 32% | 0.317 | S | S | * | . | trans | -68.9 | 9.7 | 175.7 | 30.5 | -35.6 | 0 | 0 | 0 | 113.3 | Y149 | P147-Y149 PolarHBondContact O-N 3.34Š| ||
| 148 | C | 52.9 | Low | 73.1 | Confident | 56 Ų | 56 | 62.9 Ų | 62.9 | 38% | 0.378 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 113.6 | -176.8 | 49.8 | 0 | 0 | 0 | 0 | 110.7 | C141 C146 | C141-C148 WeakPolarHBondContact CB-O 3.28Å; C146-C148 HydrophobicContact CB-CB 4.44Å; C146-C148 WeakPolarHBondContact CB-SG 3.4Å; C146-C148 PolarHBondContact O-N 3.36Å; C146-C148 WeakPolarHBondContact SG-CB 3.3Å; C146-C148 CovalentContact SG-SG 2.05Å; C146-C148 PolarHBondContact SG-SG 2.94Å |
| 149 | Y | 64.2 | Low | 73.7 | Confident | 152 Ų | 152 | 62.9 Ų | 62.9 | 60% | 0.596 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.6 | 58.6 | 174.8 | -59.7 | -95.3 | 0 | 0 | 0 | 116.3 | C141 P147 | C141-Y149 PolarHBondContact N-O 3.08Å; C141-Y149 VanDerWaalsContact N-O 3.1Å; P147-Y149 PolarHBondContact O-N 3.34Å |
| 150 | L | 77.8 | Confident | 74.9 | Confident | 54 Ų | 54 | 60.4 Ų | 60.4 | 28% | 0.283 | 33% | 0.332 | S | S | . | . | trans | -51.8 | 149.8 | 166.1 | -66.9 | 174.4 | 0 | 0 | 0 | 112 | Q168 W170 | L150-Q168 HydrophobicContact CB-CB 4.26Å; L150-Q168 WeakPolarHBondContact CD1-O 3.45Å; L150-Q168 HydrophobicContact CD2-CG 4.18Å; L150-W170 HydrophobicContact CD1-CB 4.1Å; L150-W170 HydrophobicContact CD2-CB 4.35Å | ||
| 151 | Q | 84.2 | Confident | 76.2 | Confident | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.009 | 34% | 0.341 | C | S | . | . | trans | -67.3 | 141.6 | -178.8 | -59.4 | -67.9 | -45.7 | 0 | 0 | 111.3 | R140 C141 Q168 L259 M263 | R140-Q151 PolarHBondContact O-NE2 3.14Å; R140-Q151 VanDerWaalsContact O-NE2 3.15Å; C141-Q151 PolarHBondContact O-NE2 2.87Å; Q151-Q168 HydrophobicContact CB-CB 4.08Å; Q151-Q168 VanDerWaalsContact N-OE1 3.07Å; Q151-Q168 WeakPolarHBondContact O-CB 3.47Å; Q151-Q168 PolarHBondContact O-N 3.35Å; Q151-L259 HydrophobicContact CB-CD1 4.21Å; Q151-L259 HydrophobicContact CB-CD2 4.2Å; Q151-L259 HydrophobicContact CG-CD1 4.34Å; Q151-M263 HydrophobicContact CB-SD 4.36Å; Q151-M263 HydrophobicContact CG-CE 3.88Å; Q151-M263 HydrophobicContact CG-SD 3.8Å | ||
| 152 | E | 89.1 | Confident | 78.1 | Confident | 51 Ų | 51 | 61.2 Ų | 61.2 | 24% | 0.238 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 142 | 172.4 | -172.9 | 178 | 63.4 | 0 | 0 | 107.7 | P138 R140 V166 K184 | P138-E152 VanDerWaalsContact CD-O 3.27Å; P138-E152 WeakPolarHBondContact CD-O 3.36Å; R140-E152 IonicContact NH2-OE1 2.82Å; E152-V166 CarbonylContact C-O 3.49Å; E152-V166 VanDerWaalsContact CA-O 3.28Å; E152-V166 WeakPolarHBondContact CA-O 3.5Å; E152-K184 IonicContact OE1-NZ 3.74Å; E152-K184 IonicContact OE2-NZ 3.42Å; E152-K184 PolarHBondContact OE2-NZ 3.21Å |
| 153 | L | 92.6 | Very high | 79.9 | Confident | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.016 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 139.9 | 169.6 | -61.2 | 175 | 0 | 0 | 0 | 109 | V135 N136 R137 I155 Y165 V166 G255 L259 | V135-L153 HydrophobicContact CG1-CB 4.34Å; V135-L153 HydrophobicContact CG1-CD1 4.26Å; V135-L153 HydrophobicContact CG1-CD2 4.23Å; N136-L153 WeakPolarHBondContact O-CA 3.16Å; R137-L153 HydrophobicContact CB-CD2 3.49Å; R137-L153 VanDerWaalsContact CB-CD2 3.49Å; R137-L153 HydrophobicContact CG-CD2 3.68Å; L153-I155 HydrophobicContact CB-CD1 4.39Å; L153-Y165 CarbonylContact O-C 3.57Å; L153-Y165 WeakPolarHBondContact O-CA 3.46Å; L153-Y165 WeakPolarHBondContact O-CB 3.41Å; L153-V166 HydrophobicContact CB-CB 4.17Å; L153-V166 HydrophobicContact CD1-CB 4.24Å; L153-V166 PolarHBondContact N-O 2.83Å; L153-V166 PolarHBondContact O-N 2.94Å; L153-G255 WeakPolarHBondContact CD1-O 3.42Å; L153-L259 HydrophobicContact CD1-CB 3.54Å; L153-L259 HydrophobicContact CD1-CD2 3.99Å; L153-L259 HydrophobicContact CD1-CG 4.28Å; L153-L259 HydrophobicContact CD2-CB 4.47Å; L153-L259 HydrophobicContact CD2-CD1 4.38Å; L153-L259 HydrophobicContact CG-CB 4.26Å; L153-L259 HydrophobicContact CG-CD2 4.09Å |
| 154 | E | 95.9 | Very high | 82 | Confident | 48 Ų | 48 | 56.2 Ų | 56.2 | 22% | 0.224 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 133.6 | 168.3 | 179.6 | -174.3 | 103.6 | 0 | 0 | 109.6 | V135 N136 Q156 I162 Y165 | V135-E154 WeakPolarHBondContact CA-O 3.46Å; N136-E154 HydrophobicContact CB-CB 4.31Å; N136-E154 PolarHBondContact N-O 2.89Å; N136-E154 PolarHBondContact O-N 2.76Å; E154-Q156 HydrophobicContact CG-CG 4.41Å; E154-Q156 PolarHBondContact OE1-NE2 3.25Å; E154-I162 HydrophobicContact CG-CD1 4.37Å; E154-I162 HydrophobicContact CG-CG1 4.17Å; E154-I162 HydrophobicContact CG-CG2 4.3Å; E154-Y165 HydrophobicContact CB-CD1 3.94Å; E154-Y165 HydrophobicContact CB-CE1 3.9Å; E154-Y165 HydrophobicContact CG-CD1 4.14Å; E154-Y165 HydrophobicContact CG-CE1 3.7Å |
| 155 | I | 97.1 | Very high | 84.3 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 122.3 | -178.8 | -45.6 | -63.3 | 0 | 0 | 0 | 108.4 | I133 V135 L153 V163 G164 A251 A252 | I133-I155 HydrophobicContact CG2-CG2 4.02Å; V135-I155 HydrophobicContact CB-CD1 4.26Å; V135-I155 HydrophobicContact CG1-CD1 3.79Å; V135-I155 HydrophobicContact CG2-CD1 3.79Å; L153-I155 HydrophobicContact CB-CD1 4.39Å; I155-V163 HydrophobicContact CB-CG2 4.16Å; I155-V163 HydrophobicContact CG2-CG2 3.82Å; I155-V163 WeakPolarHBondContact O-CG2 3.5Å; I155-V163 PolarHBondContact O-N 2.71Å; I155-G164 WeakPolarHBondContact CB-O 3.4Å; I155-G164 PolarHBondContact N-O 2.85Å; I155-G164 PolarHBondContact O-N 3.01Å; I155-A251 HydrophobicContact CG2-CB 4.18Å; I155-A252 HydrophobicContact CG1-CB 4.15Å |
| 156 | Q | 97 | Very high | 86.4 | Confident | 30 Ų | 30 | 41.9 Ų | 41.9 | 14% | 0.14 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 133.6 | 176.4 | -56.1 | -178.6 | 0.9 | 0 | 0 | 110.5 | I133 T134 N136 E154 T161 I162 | I133-Q156 CarbonylContact C-O 3.59Å; I133-Q156 VanDerWaalsContact CA-O 3.26Å; I133-Q156 WeakPolarHBondContact CA-O 3.33Å; T134-Q156 PolarHBondContact N-O 2.97Å; T134-Q156 PolarHBondContact O-N 2.81Å; N136-Q156 PolarHBondContact ND2-NE2 2.99Å; E154-Q156 HydrophobicContact CG-CG 4.41Å; E154-Q156 PolarHBondContact OE1-NE2 3.25Å; Q156-T161 CarbonylContact C-O 3.58Å; Q156-T161 WeakPolarHBondContact CA-O 3.03Å; Q156-I162 HydrophobicContact CG-CG1 4.19Å |
| 157 | A | 95.4 | Very high | 88.3 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.008 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -154.4 | 118.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | P56 L59 I133 T161 V163 | P56-A157 HydrophobicContact CB-CB 4.31Å; L59-A157 HydrophobicContact CD1-CB 3.84Å; L59-A157 HydrophobicContact CD2-CB 4.24Å; L59-A157 HydrophobicContact CG-CB 4.12Å; I133-A157 HydrophobicContact CG1-CB 4.3Å; A157-T161 PolarHBondContact N-O 3.01Å; A157-V163 HydrophobicContact CB-CG1 4.03Å; A157-V163 HydrophobicContact CB-CG2 4Å; A157-V163 WeakPolarHBondContact O-CG1 3.25Å |
| 158 | P | 94.2 | Very high | 89.9 | Confident | 44 Ų | 44 | 36.9 Ų | 36.9 | 29% | 0.286 | 21% | 0.208 | S | C | . | . | S | Bend | cis | -59.7 | 171.9 | -16.2 | 30.5 | -37.1 | 0 | 0 | 0 | 111.1 | G160 T161 | P158-G160 PolarHBondContact O-N 3.19Å; P158-T161 PolarHBondContact O-N 2.97Å |
| 159 | P | 93.6 | Very high | 91.7 | Very high | 49 Ų | 49 | 38 Ų | 38 | 32% | 0.318 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | 131.9 | 175.4 | -27.8 | 35.4 | 0 | 0 | 0 | 112.1 | E131 T134 | E131-P159 HydrophobicContact CB-CG 3.97Å; E131-P159 HydrophobicContact CG-CG 3.52Å; T134-P159 WeakPolarHBondContact OG1-CB 3.24Å; T134-P159 WeakPolarHBondContact OG1-CG 3.4Å |
| 160 | G | 92.3 | Very high | 92.6 | Very high | 63 Ų | 63 | 37.6 Ų | 37.6 | 65% | 0.649 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 93.6 | -15.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | P158 | P158-G160 PolarHBondContact O-N 3.19Š|
| 161 | T | 94.9 | Very high | 92.9 | Very high | 77 Ų | 77 | 36.8 Ų | 36.8 | 47% | 0.472 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -110.1 | 109.8 | 177 | -59.5 | 0 | 0 | 0 | 0 | 110.1 | Q156 A157 P158 V163 | Q156-T161 CarbonylContact C-O 3.58Å; Q156-T161 WeakPolarHBondContact CA-O 3.03Å; A157-T161 PolarHBondContact N-O 3.01Å; P158-T161 PolarHBondContact O-N 2.97Å; T161-V163 PolarHBondContact O-N 3.1Å |
| 162 | I | 96.4 | Very high | 92.5 | Very high | 61 Ų | 61 | 40 Ų | 40 | 31% | 0.313 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 126.6 | 178.5 | -60.2 | 169.8 | 0 | 0 | 0 | 109.7 | E154 Q156 Y165 A182 | E154-I162 HydrophobicContact CG-CD1 4.37Å; E154-I162 HydrophobicContact CG-CG1 4.17Å; E154-I162 HydrophobicContact CG-CG2 4.3Å; Q156-I162 HydrophobicContact CG-CG1 4.19Å; I162-Y165 HydrophobicContact CG2-CE1 4.36Å; I162-Y165 HydrophobicContact CG2-CE2 3.79Å; I162-A182 WeakPolarHBondContact O-CB 3.32Å |
| 163 | V | 96.1 | Very high | 92 | Very high | 15 Ų | 15 | 44.9 Ų | 44.9 | 9% | 0.091 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | -22.4 | 177.9 | -64.9 | 0 | 0 | 0 | 0 | 113 | P56 I155 A157 T161 A182 T248 | P56-V163 HydrophobicContact CG-CG1 4.3Å; I155-V163 HydrophobicContact CB-CG2 4.16Å; I155-V163 HydrophobicContact CG2-CG2 3.82Å; I155-V163 WeakPolarHBondContact O-CG2 3.5Å; I155-V163 PolarHBondContact O-N 2.71Å; A157-V163 HydrophobicContact CB-CG1 4.03Å; A157-V163 HydrophobicContact CB-CG2 4Å; A157-V163 WeakPolarHBondContact O-CG1 3.25Å; T161-V163 PolarHBondContact O-N 3.1Å; V163-A182 PolarHBondContact O-N 3.27Å; V163-T248 HydrophobicContact CB-CG2 3.91Å; V163-T248 HydrophobicContact CG1-CG2 4.25Å; V163-T248 HydrophobicContact CG2-CG2 4.48Å |
| 164 | G | 96.3 | Very high | 91.6 | Very high | 2 Ų | 2 | 47.4 Ų | 47.4 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.4 | -179.4 | 178 | 0 | 0 | 0 | 0 | 0 | 114 | I155 Q180 | I155-G164 WeakPolarHBondContact CB-O 3.4Å; I155-G164 PolarHBondContact N-O 2.85Å; I155-G164 PolarHBondContact O-N 3.01Å; G164-Q180 CarbonylContact C-O 3.5Å; G164-Q180 WeakPolarHBondContact CA-O 3.35Å |
| 165 | Y | 97.1 | Very high | 91.2 | Very high | 23 Ų | 23 | 46.2 Ų | 46.2 | 9% | 0.09 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 156.9 | 179.1 | -55.8 | -94.8 | 0 | 0 | 0 | 111 | L153 E154 I162 I179 Q180 N181 K184 | L153-Y165 CarbonylContact O-C 3.57Å; L153-Y165 WeakPolarHBondContact O-CA 3.46Å; L153-Y165 WeakPolarHBondContact O-CB 3.41Å; E154-Y165 HydrophobicContact CB-CD1 3.94Å; E154-Y165 HydrophobicContact CB-CE1 3.9Å; E154-Y165 HydrophobicContact CG-CD1 4.14Å; E154-Y165 HydrophobicContact CG-CE1 3.7Å; I162-Y165 HydrophobicContact CG2-CE1 4.36Å; I162-Y165 HydrophobicContact CG2-CE2 3.79Å; Y165-I179 WeakPolarHBondContact O-CA 3.44Å; Y165-Q180 PolarHBondContact N-O 2.87Å; Y165-Q180 PolarHBondContact O-N 3.48Å; Y165-N181 WeakPolarHBondContact CD2-O 3.35Å; Y165-K184 HydrophobicContact CD2-CG 3.79Å; Y165-K184 HydrophobicContact CE2-CG 3.66Å |
| 166 | V | 96.8 | Very high | 91 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 114.8 | 165.8 | -177.5 | 0 | 0 | 0 | 0 | 107.8 | E152 L153 F177 T178 A252 A256 | E152-V166 CarbonylContact C-O 3.49Å; E152-V166 VanDerWaalsContact CA-O 3.28Å; E152-V166 WeakPolarHBondContact CA-O 3.5Å; L153-V166 HydrophobicContact CB-CB 4.17Å; L153-V166 HydrophobicContact CD1-CB 4.24Å; L153-V166 PolarHBondContact N-O 2.83Å; L153-V166 PolarHBondContact O-N 2.94Å; V166-F177 HydrophobicContact CG1-CB 4.27Å; V166-T178 WeakPolarHBondContact CA-O 3.23Å; V166-A252 HydrophobicContact CG2-CB 4.01Å; V166-A252 WeakPolarHBondContact CG2-O 3.3Å; V166-A256 HydrophobicContact CG1-CB 4.08Å; V166-A256 HydrophobicContact CG2-CB 4.26Å |
| 167 | A | 93.5 | Very high | 90.9 | Very high | 9 Ų | 9 | 46.7 Ų | 46.7 | 7% | 0.074 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 128 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111 | F177 T178 | A167-F177 CarbonylContact O-C 3.59Å; A167-F177 VanDerWaalsContact O-CA 3.29Å; A167-F177 WeakPolarHBondContact O-CA 3.19Å; A167-T178 PolarHBondContact N-O 3.36Å; A167-T178 PolarHBondContact O-N 3.41Å |
| 168 | Q | 90.9 | Very high | 90.9 | Very high | 35 Ų | 35 | 46.8 Ų | 46.8 | 16% | 0.164 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 139.2 | 170.8 | -172.5 | -176.6 | 18.3 | 0 | 0 | 109.9 | L150 Q151 F177 | L150-Q168 HydrophobicContact CB-CB 4.26Å; L150-Q168 WeakPolarHBondContact CD1-O 3.45Å; L150-Q168 HydrophobicContact CD2-CG 4.18Å; Q151-Q168 HydrophobicContact CB-CB 4.08Å; Q151-Q168 VanDerWaalsContact N-OE1 3.07Å; Q151-Q168 WeakPolarHBondContact O-CB 3.47Å; Q151-Q168 PolarHBondContact O-N 3.35Å; Q168-F177 HydrophobicContact CB-CD1 3.68Å; Q168-F177 HydrophobicContact CB-CE1 3.68Å; Q168-F177 HydrophobicContact CG-CD1 4.02Å; Q168-F177 HydrophobicContact CG-CE1 3.72Å; Q168-F177 HydrophobicContact CG-CZ 4.25Å |
| 169 | K | 89.6 | Confident | 91.1 | Very high | 80 Ų | 80 | 44.8 Ų | 44.8 | 35% | 0.348 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 135.3 | 172.9 | -57.9 | -60.6 | -177.7 | -179.7 | 0 | 108.4 | D171 K176 T178 | K169-D171 PolarHBondContact O-N 2.88Å; K169-K176 HydrophobicContact CB-CB 4.31Å; K169-K176 PolarHBondContact N-O 3.4Å; K169-T178 WeakPolarHBondContact CE-OG1 3.36Å; K169-T178 WeakPolarHBondContact CG-OG1 3.21Å |
| 170 | W | 84.1 | Confident | 91.3 | Very high | 143 Ų | 143 | 43.1 Ų | 43.1 | 54% | 0.542 | 23% | 0.228 | S | C | . | . | trans | -68.6 | 130.8 | 176.8 | -174.9 | 88.4 | 0 | 0 | 0 | 109.9 | C144 L150 P172 | C144-W170 PolarHBondContact O-NE1 3.08Å; L150-W170 HydrophobicContact CD1-CB 4.1Å; L150-W170 HydrophobicContact CD2-CB 4.35Å; W170-P172 HydrophobicContact CH2-CB 4Å; W170-P172 HydrophobicContact CH2-CG 4.32Å; W170-P172 HydrophobicContact CZ2-CB 4.36Å; W170-P172 HydrophobicContact CZ3-CG 4.45Å | ||
| 171 | D | 83 | Confident | 91.5 | Very high | 36 Ų | 36 | 41.8 Ų | 41.8 | 19% | 0.193 | 21% | 0.206 | C | C | . | . | trans | -148.9 | 138 | 173.6 | 180 | -67 | 0 | 0 | 0 | 107.5 | K169 F173 L174 K176 | K169-D171 PolarHBondContact O-N 2.88Å; D171-F173 VanDerWaalsContact C-N 3.27Å; D171-F173 PolarHBondContact O-N 3.46Å; D171-F173 PolarHBondContact OD1-N 3.2Å; D171-L174 WeakPolarHBondContact CB-O 3.31Å; D171-L174 PolarHBondContact OD1-N 3.11Å; D171-K176 HydrophobicContact CB-CB 4.47Å; D171-K176 HydrophobicContact CB-CD 3.91Å; D171-K176 HydrophobicContact CB-CG 4.13Å; D171-K176 WeakPolarHBondContact OD2-CD 3.47Å; D171-K176 WeakPolarHBondContact OD2-CE 3.36Å; D171-K176 IonicContact OD2-NZ 3.02Å; D171-K176 PolarHBondContact OD2-NZ 2.95Å | ||
| 172 | P | 76.4 | Confident | 91.4 | Very high | 70 Ų | 70 | 40.3 Ų | 40.3 | 46% | 0.455 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -71.2 | -17.1 | -171.3 | 25.1 | -33.1 | 0 | 0 | 0 | 114.5 | W170 | W170-P172 HydrophobicContact CH2-CB 4Å; W170-P172 HydrophobicContact CH2-CG 4.32Å; W170-P172 HydrophobicContact CZ2-CB 4.36Å; W170-P172 HydrophobicContact CZ3-CG 4.45Å |
| 173 | F | 79.1 | Confident | 91.4 | Very high | 153 Ų | 153 | 43.3 Ų | 43.3 | 67% | 0.671 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -127.1 | -32.2 | -172.1 | -57.4 | -66.8 | 0 | 0 | 0 | 113.6 | D171 C194 | D171-F173 VanDerWaalsContact C-N 3.27Å; D171-F173 PolarHBondContact O-N 3.46Å; D171-F173 PolarHBondContact OD1-N 3.2Å; F173-C194 PolarHBondContact O-SG 3.03Å |
| 174 | L | 84.2 | Confident | 91.3 | Very high | 57 Ų | 57 | 46.9 Ų | 46.9 | 30% | 0.298 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -120.4 | 137.5 | -173.3 | -61.2 | 177.4 | 0 | 0 | 0 | 111.2 | D171 K176 V191 C194 | D171-L174 WeakPolarHBondContact CB-O 3.31Å; D171-L174 PolarHBondContact OD1-N 3.11Å; L174-K176 HydrophobicContact CB-CG 4.37Å; L174-K176 PolarHBondContact O-N 3.29Å; L174-K176 VanDerWaalsContact O-N 3.12Å; L174-V191 HydrophobicContact CB-CG1 4.48Å; L174-V191 HydrophobicContact CD1-CG1 3.95Å; L174-C194 HydrophobicContact CD2-CB 3.77Å |
| 175 | P | 87.7 | Confident | 91.3 | Very high | 22 Ų | 22 | 52.3 Ų | 52.3 | 14% | 0.143 | 26% | 0.258 | C | S | . | . | trans | -68.9 | 112.2 | 167.4 | 29.1 | -31.4 | 0 | 0 | 0 | 109 | F177 G192 P193 F264 | P175-F177 HydrophobicContact CB-CE2 4.06Å; P175-G192 PolarHBondContact O-N 3.4Å; P175-P193 WeakPolarHBondContact CD-O 3.3Å; P175-F264 HydrophobicContact CB-CE1 4.46Å; P175-F264 HydrophobicContact CB-CZ 3.82Å; P175-F264 HydrophobicContact CG-CZ 4.34Å | ||
| 176 | K | 91.8 | Very high | 91.3 | Very high | 39 Ų | 39 | 54.2 Ų | 54.2 | 17% | 0.17 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 137.9 | 178.9 | -70.6 | -172.5 | 177.6 | 168.8 | 0 | 111.3 | K169 D171 L174 E212 | K169-K176 HydrophobicContact CB-CB 4.31Å; K169-K176 PolarHBondContact N-O 3.4Å; D171-K176 HydrophobicContact CB-CB 4.47Å; D171-K176 HydrophobicContact CB-CD 3.91Å; D171-K176 HydrophobicContact CB-CG 4.13Å; D171-K176 WeakPolarHBondContact OD2-CD 3.47Å; D171-K176 WeakPolarHBondContact OD2-CE 3.36Å; D171-K176 IonicContact OD2-NZ 3.02Å; D171-K176 PolarHBondContact OD2-NZ 2.95Å; L174-K176 HydrophobicContact CB-CG 4.37Å; L174-K176 PolarHBondContact O-N 3.29Å; L174-K176 VanDerWaalsContact O-N 3.12Å; K176-E212 IonicContact NZ-OE2 2.85Å |
| 177 | F | 94.9 | Very high | 91.3 | Very high | 1 Ų | 1 | 57 Ų | 57 | 0% | 0.004 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 158.4 | 174.1 | -53.2 | -99.9 | 0 | 0 | 0 | 109.8 | V166 A167 Q168 P175 K189 I190 L259 F260 M263 F264 | V166-F177 HydrophobicContact CG1-CB 4.27Å; A167-F177 CarbonylContact O-C 3.59Å; A167-F177 VanDerWaalsContact O-CA 3.29Å; A167-F177 WeakPolarHBondContact O-CA 3.19Å; Q168-F177 HydrophobicContact CB-CD1 3.68Å; Q168-F177 HydrophobicContact CB-CE1 3.68Å; Q168-F177 HydrophobicContact CG-CD1 4.02Å; Q168-F177 HydrophobicContact CG-CE1 3.72Å; Q168-F177 HydrophobicContact CG-CZ 4.25Å; P175-F177 HydrophobicContact CB-CE2 4.06Å; F177-K189 CarbonylContact O-C 3.52Å; F177-K189 WeakPolarHBondContact O-CA 3.45Å; F177-I190 HydrophobicContact CB-CB 4.23Å; F177-I190 PolarHBondContact N-O 3.18Å; F177-I190 PolarHBondContact O-N 3.39Å; F177-L259 HydrophobicContact CD1-CD2 4.1Å; F177-L259 HydrophobicContact CE1-CD2 3.79Å; F177-F260 HydrophobicContact CD1-CE1 4.1Å; F177-F260 AromaticContact CD2-CE1 3.5Å; F177-F260 HydrophobicContact CD2-CE1 3.5Å; F177-F260 VanDerWaalsContact CD2-CE1 3.5Å; F177-F260 AromaticContact CD2-CZ 3.82Å; F177-F260 HydrophobicContact CD2-CZ 3.82Å; F177-F260 AromaticContact CE1-CE1 3.98Å; F177-F260 HydrophobicContact CE1-CE1 3.98Å; F177-F260 HydrophobicContact CE2-CD1 4.08Å; F177-F260 AromaticContact CE2-CE1 3.36Å; F177-F260 HydrophobicContact CE2-CE1 3.36Å; F177-F260 HydrophobicContact CE2-CZ 4.06Å; F177-F260 AromaticContact CG-CE1 3.88Å; F177-F260 HydrophobicContact CG-CE1 3.88Å; F177-F260 HydrophobicContact CG-CZ 4.26Å; F177-F260 HydrophobicContact CZ-CD1 4.08Å; F177-F260 AromaticContact CZ-CE1 3.63Å; F177-F260 HydrophobicContact CZ-CE1 3.63Å; F177-M263 HydrophobicContact CE1-CE 4.34Å; F177-M263 HydrophobicContact CE1-SD 3.87Å; F177-M263 HydrophobicContact CZ-CE 4.08Å; F177-M263 HydrophobicContact CZ-SD 3.84Å; F177-F264 HydrophobicContact CE2-CE2 4.4Å; F177-F264 HydrophobicContact CZ-CE2 4.24Å; F177-F264 HydrophobicContact CZ-CZ 4.34Å |
| 178 | T | 96.8 | Very high | 91.5 | Very high | 3 Ų | 3 | 57.2 Ų | 57.2 | 2% | 0.018 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 130.6 | 178.3 | -58.8 | 0 | 0 | 0 | 0 | 109.3 | V166 A167 K169 Q180 D186 L188 | V166-T178 WeakPolarHBondContact CA-O 3.23Å; A167-T178 PolarHBondContact N-O 3.36Å; A167-T178 PolarHBondContact O-N 3.41Å; K169-T178 WeakPolarHBondContact CE-OG1 3.36Å; K169-T178 WeakPolarHBondContact CG-OG1 3.21Å; T178-Q180 HydrophobicContact CG2-CG 4.05Å; T178-D186 HydrophobicContact CG2-CB 3.72Å; T178-D186 WeakPolarHBondContact CG2-OD1 3.28Å; T178-L188 CarbonylContact C-O 3.53Å; T178-L188 WeakPolarHBondContact CA-O 3.37Å; T178-L188 WeakPolarHBondContact CG2-O 3.4Å |
| 179 | I | 97.8 | Very high | 91.8 | Very high | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 125.9 | 167.8 | -60.4 | 171 | 0 | 0 | 0 | 107.4 | Y165 I187 L188 I190 V249 A252 M253 | Y165-I179 WeakPolarHBondContact O-CA 3.44Å; I179-I187 PolarHBondContact O-N 2.86Å; I179-L188 HydrophobicContact CB-CB 4.32Å; I179-L188 HydrophobicContact CD1-CB 4.28Å; I179-L188 HydrophobicContact CD1-CD1 4.42Å; I179-L188 PolarHBondContact N-O 3.21Å; I179-L188 PolarHBondContact O-N 2.9Å; I179-I190 HydrophobicContact CD1-CD1 4.02Å; I179-I190 HydrophobicContact CD1-CG1 4.19Å; I179-I190 HydrophobicContact CG1-CD1 3.96Å; I179-I190 HydrophobicContact CG1-CG1 4.26Å; I179-V249 HydrophobicContact CD1-CG1 4.15Å; I179-V249 HydrophobicContact CG2-CG1 4.46Å; I179-A252 HydrophobicContact CG2-CB 3.81Å; I179-M253 HydrophobicContact CD1-CG 3.54Å; I179-M253 HydrophobicContact CD1-SD 4.26Å |
| 180 | Q | 97.6 | Very high | 92.1 | Very high | 15 Ų | 15 | 54 Ų | 54 | 7% | 0.07 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 149.9 | -179.7 | -49.7 | -175.7 | -51.1 | 0 | 0 | 110.6 | G164 Y165 T178 K184 E185 D186 | G164-Q180 CarbonylContact C-O 3.5Å; G164-Q180 WeakPolarHBondContact CA-O 3.35Å; Y165-Q180 PolarHBondContact N-O 2.87Å; Y165-Q180 PolarHBondContact O-N 3.48Å; T178-Q180 HydrophobicContact CG2-CG 4.05Å; Q180-K184 PolarHBondContact NE2-O 3.29Å; Q180-E185 CarbonylContact C-O 3.47Å; Q180-E185 WeakPolarHBondContact CA-O 3.4Å; Q180-D186 PolarHBondContact NE2-OD1 3.29Å |
| 181 | N | 95.8 | Very high | 92.6 | Very high | 34 Ų | 34 | 47.9 Ų | 47.9 | 18% | 0.182 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | -178.7 | 172.4 | 69.1 | 12.5 | 0 | 0 | 0 | 111.8 | Y165 N183 K184 E185 I187 | Y165-N181 WeakPolarHBondContact CD2-O 3.35Å; N181-N183 PolarHBondContact O-N 2.99Å; N181-N183 VanDerWaalsContact O-N 3.14Å; N181-N183 WeakPolarHBondContact OD1-CA 3.48Å; N181-N183 WeakPolarHBondContact OD1-CB 3.47Å; N181-N183 PolarHBondContact OD1-N 2.8Å; N181-K184 PolarHBondContact O-N 3.44Å; N181-K184 PolarHBondContact OD1-N 2.85Å; N181-E185 PolarHBondContact N-O 3.44Å; N181-E185 PolarHBondContact ND2-OE2 3.21Å; N181-E185 WeakPolarHBondContact OD1-CB 3.15Å; N181-E185 PolarHBondContact OD1-N 2.96Å; N181-I187 HydrophobicContact CB-CD1 3.62Å; N181-I187 HydrophobicContact CB-CG1 4.14Å |
| 182 | A | 94.7 | Very high | 92.9 | Very high | 46 Ų | 46 | 46.4 Ų | 46.4 | 38% | 0.38 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -27.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | I162 V163 K184 | I162-A182 WeakPolarHBondContact O-CB 3.32Å; V163-A182 PolarHBondContact O-N 3.27Å; A182-K184 VanDerWaalsContact C-N 3.28Å; A182-K184 PolarHBondContact O-N 2.83Å |
| 183 | N | 95.3 | Very high | 93.3 | Very high | 125 Ų | 125 | 45.9 Ų | 45.9 | 67% | 0.668 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | 6.1 | 176.8 | -59 | -35.1 | 0 | 0 | 0 | 113.2 | N181 E185 | N181-N183 PolarHBondContact O-N 2.99Å; N181-N183 VanDerWaalsContact O-N 3.14Å; N181-N183 WeakPolarHBondContact OD1-CA 3.48Å; N181-N183 WeakPolarHBondContact OD1-CB 3.47Å; N181-N183 PolarHBondContact OD1-N 2.8Å; N183-E185 HydrophobicContact CB-CG 4.08Å; N183-E185 PolarHBondContact O-N 3.12Å |
| 184 | K | 94.7 | Very high | 93 | Very high | 89 Ų | 89 | 40.7 Ų | 40.7 | 39% | 0.387 | 22% | 0.219 | S | C | . | . | trans | 61.2 | 24.6 | -172.5 | -65.1 | -177.8 | 172.1 | -88.7 | 0 | 114.2 | E152 Y165 Q180 N181 A182 | E152-K184 IonicContact OE1-NZ 3.74Å; E152-K184 IonicContact OE2-NZ 3.42Å; E152-K184 PolarHBondContact OE2-NZ 3.21Å; Y165-K184 HydrophobicContact CD2-CG 3.79Å; Y165-K184 HydrophobicContact CE2-CG 3.66Å; Q180-K184 PolarHBondContact NE2-O 3.29Å; N181-K184 PolarHBondContact O-N 3.44Å; N181-K184 PolarHBondContact OD1-N 2.85Å; A182-K184 VanDerWaalsContact C-N 3.28Å; A182-K184 PolarHBondContact O-N 2.83Å | ||
| 185 | E | 96.5 | Very high | 91.7 | Very high | 116 Ų | 116 | 42.3 Ų | 42.3 | 54% | 0.542 | 24% | 0.241 | S | C | . | . | trans | -81.5 | 133.5 | 171.3 | -56.8 | 171.5 | 143.8 | 0 | 0 | 109.7 | Q180 N181 N183 I187 | Q180-E185 CarbonylContact C-O 3.47Å; Q180-E185 WeakPolarHBondContact CA-O 3.4Å; N181-E185 PolarHBondContact N-O 3.44Å; N181-E185 PolarHBondContact ND2-OE2 3.21Å; N181-E185 WeakPolarHBondContact OD1-CB 3.15Å; N181-E185 PolarHBondContact OD1-N 2.96Å; N183-E185 HydrophobicContact CB-CG 4.08Å; N183-E185 PolarHBondContact O-N 3.12Å; E185-I187 PolarHBondContact O-N 3.15Å | ||
| 186 | D | 96.9 | Very high | 89.6 | Confident | 64 Ų | 64 | 47.4 Ų | 47.4 | 34% | 0.342 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 123.1 | -179.4 | -68.6 | -2.6 | 0 | 0 | 0 | 110.4 | T178 Q180 I210 | T178-D186 HydrophobicContact CG2-CB 3.72Å; T178-D186 WeakPolarHBondContact CG2-OD1 3.28Å; Q180-D186 PolarHBondContact NE2-OD1 3.29Å; D186-I210 WeakPolarHBondContact O-CD1 3.5Å |
| 187 | I | 96.3 | Very high | 87.5 | Confident | 58 Ų | 58 | 50 Ų | 50 | 30% | 0.297 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | -49.3 | 178.6 | -54.5 | 175.1 | 0 | 0 | 0 | 110.2 | I179 N181 E185 I210 V249 | I179-I187 PolarHBondContact O-N 2.86Å; N181-I187 HydrophobicContact CB-CD1 3.62Å; N181-I187 HydrophobicContact CB-CG1 4.14Å; E185-I187 PolarHBondContact O-N 3.15Å; I187-I210 WeakPolarHBondContact O-CG1 3.17Å; I187-V249 HydrophobicContact CD1-CG2 4.06Å; I187-V249 HydrophobicContact CG2-CG2 4.21Å |
| 188 | L | 97.3 | Very high | 85.1 | Confident | 13 Ų | 13 | 53.7 Ų | 53.7 | 7% | 0.068 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 160.2 | -172.9 | -66.7 | 166.4 | 0 | 0 | 0 | 110.7 | T178 I179 V207 K208 I216 L245 V249 | T178-L188 CarbonylContact C-O 3.53Å; T178-L188 WeakPolarHBondContact CA-O 3.37Å; T178-L188 WeakPolarHBondContact CG2-O 3.4Å; I179-L188 HydrophobicContact CB-CB 4.32Å; I179-L188 HydrophobicContact CD1-CB 4.28Å; I179-L188 HydrophobicContact CD1-CD1 4.42Å; I179-L188 PolarHBondContact N-O 3.21Å; I179-L188 PolarHBondContact O-N 2.9Å; L188-V207 HydrophobicContact CB-CG1 4.29Å; L188-V207 HydrophobicContact CD1-CG1 4.15Å; L188-K208 WeakPolarHBondContact CD2-O 3.45Å; L188-I216 HydrophobicContact CD1-CD1 3.44Å; L188-I216 VanDerWaalsContact CD1-CD1 3.44Å; L188-I216 HydrophobicContact CD2-CD1 3.5Å; L188-I216 HydrophobicContact CD2-CG1 4.22Å; L188-I216 HydrophobicContact CG-CD1 4.07Å; L188-L245 HydrophobicContact CD1-CD1 4.42Å; L188-V249 HydrophobicContact CD1-CG1 3.5Å; L188-V249 VanDerWaalsContact CD1-CG1 3.5Å |
| 189 | K | 96.9 | Very high | 82.7 | Confident | 48 Ų | 48 | 58 Ų | 58 | 21% | 0.209 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 144.9 | 174.7 | -72.3 | 177.7 | 172 | 174.7 | 0 | 110.5 | F177 V207 K208 I210 E212 | F177-K189 CarbonylContact O-C 3.52Å; F177-K189 WeakPolarHBondContact O-CA 3.45Å; K189-V207 CarbonylContact O-C 3.53Å; K189-V207 WeakPolarHBondContact O-CA 3.33Å; K189-K208 PolarHBondContact N-O 2.97Å; K189-K208 PolarHBondContact O-N 3.38Å; K189-I210 WeakPolarHBondContact CD-O 3.44Å; K189-I210 VanDerWaalsContact CE-O 3.23Å; K189-I210 WeakPolarHBondContact CE-O 3.45Å; K189-I210 PolarHBondContact NZ-O 3.42Å; K189-E212 HydrophobicContact CD-CG 3.52Å; K189-E212 WeakPolarHBondContact CD-OE1 3.41Å; K189-E212 IonicContact NZ-OE1 2.74Å; K189-E212 PolarHBondContact NZ-OE1 2.89Å |
| 190 | I | 96.7 | Very high | 80.4 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 123.9 | 170.1 | -51.3 | 168 | 0 | 0 | 0 | 107.1 | F177 I179 F205 E206 V207 I219 A256 F260 | F177-I190 HydrophobicContact CB-CB 4.23Å; F177-I190 PolarHBondContact N-O 3.18Å; F177-I190 PolarHBondContact O-N 3.39Å; I179-I190 HydrophobicContact CD1-CD1 4.02Å; I179-I190 HydrophobicContact CD1-CG1 4.19Å; I179-I190 HydrophobicContact CG1-CD1 3.96Å; I179-I190 HydrophobicContact CG1-CG1 4.26Å; I190-F205 HydrophobicContact CG2-CB 3.74Å; I190-F205 HydrophobicContact CG2-CD1 4.48Å; I190-E206 CarbonylContact C-O 3.44Å; I190-E206 WeakPolarHBondContact CA-O 3.39Å; I190-V207 HydrophobicContact CG1-CG2 4.18Å; I190-I219 HydrophobicContact CD1-CD1 4.16Å; I190-A256 HydrophobicContact CD1-CB 3.78Å; I190-F260 HydrophobicContact CB-CZ 4.4Å; I190-F260 HydrophobicContact CD1-CZ 4.11Å; I190-F260 HydrophobicContact CG2-CE2 3.93Å; I190-F260 HydrophobicContact CG2-CZ 3.75Å |
| 191 | V | 94.2 | Very high | 78.8 | Confident | 14 Ų | 14 | 69.3 Ų | 69.3 | 9% | 0.085 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 113.1 | -178.1 | -175.3 | 0 | 0 | 0 | 0 | 108.2 | L174 F205 E206 K208 | L174-V191 HydrophobicContact CB-CG1 4.48Å; L174-V191 HydrophobicContact CD1-CG1 3.95Å; V191-F205 CarbonylContact O-C 3.58Å; V191-F205 WeakPolarHBondContact O-CA 3.25Å; V191-E206 PolarHBondContact N-O 2.89Å; V191-E206 PolarHBondContact O-N 2.82Å; V191-K208 HydrophobicContact CG2-CD 4.33Å |
| 192 | G | 89.1 | Confident | 77.5 | Confident | 5 Ų | 5 | 70.7 Ų | 70.7 | 5% | 0.052 | 43% | 0.428 | C | S | . | . | trans | -86.7 | 175.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | P175 | P175-G192 PolarHBondContact O-N 3.4Š| ||
| 193 | P | 84.8 | Confident | 77 | Confident | 60 Ų | 60 | 69.2 Ų | 69.2 | 39% | 0.39 | 41% | 0.414 | S | S | . | . | trans | -74.8 | 158 | -177.8 | 27.9 | -25.9 | 0 | 0 | 0 | 111.5 | P175 A195 V203 N204 | P175-P193 WeakPolarHBondContact CD-O 3.3Å; P193-A195 PolarHBondContact O-N 3.15Å; P193-V203 HydrophobicContact CG-CG1 3.54Å; P193-N204 WeakPolarHBondContact CD-O 3.27Å | ||
| 194 | C | 73.1 | Confident | 76.7 | Confident | 43 Ų | 43 | 66.7 Ų | 66.7 | 29% | 0.291 | 40% | 0.401 | S | S | . | . | trans | -64.5 | 124.6 | 179 | -167.5 | 0 | 0 | 0 | 0 | 110.9 | F173 L174 T196 C197 | F173-C194 PolarHBondContact O-SG 3.03Å; L174-C194 HydrophobicContact CD2-CB 3.77Å; C194-T196 PolarHBondContact O-N 3.32Å; C194-T196 VanDerWaalsContact O-N 3.09Å; C194-T196 PolarHBondContact SG-OG1 2.76Å; C194-C197 PolarHBondContact O-N 3.41Å | ||
| 195 | A | 57.5 | Low | 76.5 | Confident | 92 Ų | 92 | 62.6 Ų | 62.6 | 76% | 0.76 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -13.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114 | P193 | P193-A195 PolarHBondContact O-N 3.15Š|
| 196 | T | 43.6 | Very low | 76.5 | Confident | 128 Ų | 128 | 61 Ų | 61 | 79% | 0.785 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -2.9 | 179.5 | 56.7 | 0 | 0 | 0 | 0 | 114.3 | C194 | C194-T196 PolarHBondContact O-N 3.32Å; C194-T196 VanDerWaalsContact O-N 3.09Å; C194-T196 PolarHBondContact SG-OG1 2.76Å |
| 197 | C | 47.4 | Very low | 76.5 | Confident | 94 Ų | 94 | 57.9 Ų | 57.9 | 64% | 0.635 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -94.2 | 111.9 | 173.2 | -100.2 | 0 | 0 | 0 | 0 | 110.5 | C194 C199 | C194-C197 PolarHBondContact O-N 3.41Å; C197-C199 PolarHBondContact O-N 3.1Å; C197-C199 PolarHBondContact O-SG 2.9Å |
| 198 | G | 44.4 | Very low | 76.5 | Confident | 79 Ų | 79 | 56.9 Ų | 56.9 | 81% | 0.814 | 35% | 0.353 | S | S | * | . | trans | -49.7 | 126 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | F200 | G198-F200 PolarHBondContact O-N 3.15Š| ||
| 199 | C | 46.1 | Very low | 76.5 | Confident | 93 Ų | 93 | 57.9 Ų | 57.9 | 63% | 0.628 | 36% | 0.359 | S | S | * | . | trans | -89.8 | 103.5 | -170.2 | -54.6 | 0 | 0 | 0 | 0 | 111.9 | C197 | C197-C199 PolarHBondContact O-N 3.1Å; C197-C199 PolarHBondContact O-SG 2.9Å | ||
| 200 | F | 49.3 | Very low | 76.3 | Confident | 219 Ų | 219 | 59.7 Ų | 59.7 | 96% | 0.961 | 37% | 0.37 | S | S | * | . | trans | -127.7 | 89.4 | 154.5 | -70.5 | -78.4 | 0 | 0 | 0 | 107.5 | G198 | G198-F200 PolarHBondContact O-N 3.15Š| ||
| 201 | G | 63.4 | Low | 76.2 | Confident | 35 Ų | 35 | 64.3 Ų | 64.3 | 36% | 0.361 | 40% | 0.395 | S | S | . | . | S | Bend | trans | 151.6 | 172.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | W223 | G201-W223 VanDerWaalsContact C-CD1 3.43Å; G201-W223 PolarHBondContact O-NE1 2.74Å; G201-W223 VanDerWaalsContact O-NE1 3.11Å |
| 202 | D | 69.8 | Low | 76 | Confident | 63 Ų | 63 | 66.9 Ų | 66.9 | 34% | 0.337 | 41% | 0.406 | S | S | . | . | trans | -55.2 | 135.5 | 178.5 | -64.4 | -16.9 | 0 | 0 | 0 | 112 | K221 Y222 W223 | D202-K221 WeakPolarHBondContact CA-O 3.07Å; D202-Y222 WeakPolarHBondContact OD1-CA 3.48Å; D202-Y222 WeakPolarHBondContact OD2-CD1 3.21Å; D202-W223 PolarHBondContact OD1-N 2.89Å | ||
| 203 | V | 82.9 | Confident | 76.2 | Confident | 15 Ų | 15 | 75.2 Ų | 75.2 | 9% | 0.091 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 120.8 | -177.3 | -174.3 | 0 | 0 | 0 | 0 | 109.3 | P193 F205 S220 K221 F265 | P193-V203 HydrophobicContact CG-CG1 3.54Å; V203-F205 HydrophobicContact CB-CE2 4.5Å; V203-F205 HydrophobicContact CG1-CD2 4.28Å; V203-F205 HydrophobicContact CG1-CE2 3.61Å; V203-F205 HydrophobicContact CG1-CZ 4.12Å; V203-S220 CarbonylContact O-C 3.47Å; V203-S220 VanDerWaalsContact O-CA 3.29Å; V203-S220 WeakPolarHBondContact O-CA 3.29Å; V203-K221 HydrophobicContact CB-CB 4.45Å; V203-K221 PolarHBondContact N-O 3.37Å; V203-K221 PolarHBondContact O-N 2.96Å; V203-F265 HydrophobicContact CB-CE1 4.42Å; V203-F265 HydrophobicContact CB-CZ 3.89Å; V203-F265 HydrophobicContact CG1-CZ 4.02Å; V203-F265 HydrophobicContact CG2-CE1 3.88Å; V203-F265 HydrophobicContact CG2-CZ 3.85Å |
| 204 | N | 88.8 | Confident | 76.7 | Confident | 72 Ų | 72 | 77.5 Ų | 77.5 | 39% | 0.385 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 126 | -178.4 | -66.6 | -50.1 | 0 | 0 | 0 | 111.7 | P193 S220 | P193-N204 WeakPolarHBondContact CD-O 3.27Å; N204-S220 WeakPolarHBondContact OD1-CB 3.37Å; N204-S220 PolarHBondContact OD1-OG 3Å |
| 205 | F | 92.5 | Very high | 77.8 | Confident | 3 Ų | 3 | 78.7 Ų | 78.7 | 1% | 0.013 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 114.9 | 168.8 | -62.5 | -100.9 | 0 | 0 | 0 | 108.6 | I190 V191 V203 K218 I219 F260 F264 F265 | I190-F205 HydrophobicContact CG2-CB 3.74Å; I190-F205 HydrophobicContact CG2-CD1 4.48Å; V191-F205 CarbonylContact O-C 3.58Å; V191-F205 WeakPolarHBondContact O-CA 3.25Å; V203-F205 HydrophobicContact CB-CE2 4.5Å; V203-F205 HydrophobicContact CG1-CD2 4.28Å; V203-F205 HydrophobicContact CG1-CE2 3.61Å; V203-F205 HydrophobicContact CG1-CZ 4.12Å; F205-K218 CarbonylContact O-C 3.56Å; F205-K218 VanDerWaalsContact O-CA 3.27Å; F205-K218 WeakPolarHBondContact O-CA 3.07Å; F205-I219 HydrophobicContact CB-CB 4.17Å; F205-I219 PolarHBondContact N-O 2.82Å; F205-I219 PolarHBondContact O-N 2.93Å; F205-F260 HydrophobicContact CB-CE2 4.01Å; F205-F260 AromaticContact CD1-CD2 3.98Å; F205-F260 HydrophobicContact CD1-CD2 3.98Å; F205-F260 AromaticContact CD1-CE2 3.73Å; F205-F260 HydrophobicContact CD1-CE2 3.73Å; F205-F260 HydrophobicContact CD1-CG 4.49Å; F205-F260 HydrophobicContact CD1-CZ 4.05Å; F205-F260 AromaticContact CD2-CD2 3.9Å; F205-F260 HydrophobicContact CD2-CD2 3.9Å; F205-F260 HydrophobicContact CD2-CE2 4.2Å; F205-F260 HydrophobicContact CE1-CD1 4.4Å; F205-F260 HydrophobicContact CE1-CD2 4.11Å; F205-F260 HydrophobicContact CE1-CE2 4.24Å; F205-F260 HydrophobicContact CE1-CG 4.2Å; F205-F260 HydrophobicContact CE1-CZ 4.46Å; F205-F260 HydrophobicContact CE2-CB 4.46Å; F205-F260 HydrophobicContact CE2-CD2 4.03Å; F205-F260 HydrophobicContact CE2-CG 4.38Å; F205-F260 AromaticContact CG-CD2 3.89Å; F205-F260 HydrophobicContact CG-CD2 3.89Å; F205-F260 AromaticContact CG-CE2 3.73Å; F205-F260 HydrophobicContact CG-CE2 3.73Å; F205-F260 HydrophobicContact CG-CZ 4.47Å; F205-F260 HydrophobicContact CZ-CB 4.33Å; F205-F260 HydrophobicContact CZ-CD2 4.14Å; F205-F260 HydrophobicContact CZ-CG 4.15Å; F205-F264 HydrophobicContact CE1-CD2 4.25Å; F205-F264 AromaticContact CE1-CE2 3.85Å; F205-F264 HydrophobicContact CE1-CE2 3.85Å; F205-F264 AromaticContact CZ-CD2 3.79Å; F205-F264 HydrophobicContact CZ-CD2 3.79Å; F205-F264 AromaticContact CZ-CE2 3.89Å; F205-F264 HydrophobicContact CZ-CE2 3.89Å; F205-F265 HydrophobicContact CE2-CE2 4.42Å |
| 206 | E | 95.4 | Very high | 79.6 | Confident | 82 Ų | 82 | 76.2 Ų | 76.2 | 38% | 0.383 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 130.7 | -177.2 | -63.3 | -175.6 | 161.9 | 0 | 0 | 110.7 | I190 V191 K208 T215 | I190-E206 CarbonylContact C-O 3.44Å; I190-E206 WeakPolarHBondContact CA-O 3.39Å; V191-E206 PolarHBondContact N-O 2.89Å; V191-E206 PolarHBondContact O-N 2.82Å; E206-K208 HydrophobicContact CB-CG 4.35Å; E206-K208 WeakPolarHBondContact OE2-CE 3.44Å; E206-K208 IonicContact OE2-NZ 3.55Å; E206-K208 PolarHBondContact OE2-NZ 2.83Å; E206-T215 HydrophobicContact CB-CG2 4.28Å |
| 207 | V | 96.8 | Very high | 82 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 120 | 173.1 | -172.4 | 0 | 0 | 0 | 0 | 108.9 | L188 K189 I190 T215 I216 G217 I219 M253 | L188-V207 HydrophobicContact CB-CG1 4.29Å; L188-V207 HydrophobicContact CD1-CG1 4.15Å; K189-V207 CarbonylContact O-C 3.53Å; K189-V207 WeakPolarHBondContact O-CA 3.33Å; I190-V207 HydrophobicContact CG1-CG2 4.18Å; V207-T215 CarbonylContact O-C 3.53Å; V207-T215 WeakPolarHBondContact O-CA 3.49Å; V207-I216 HydrophobicContact CB-CG1 4.13Å; V207-I216 HydrophobicContact CG1-CD1 3.83Å; V207-I216 HydrophobicContact CG1-CG1 3.77Å; V207-I216 VanDerWaalsContact O-CG1 3.29Å; V207-I216 WeakPolarHBondContact O-CG1 3.49Å; V207-I216 PolarHBondContact O-N 3.41Å; V207-G217 PolarHBondContact N-O 3Å; V207-G217 PolarHBondContact O-N 2.71Å; V207-I219 HydrophobicContact CG2-CG1 4.43Å; V207-M253 HydrophobicContact CB-CE 4.28Å; V207-M253 HydrophobicContact CG1-CE 4.35Å; V207-M253 HydrophobicContact CG1-SD 4.45Å; V207-M253 HydrophobicContact CG2-CE 3.49Å; V207-M253 VanDerWaalsContact CG2-CE 3.49Å |
| 208 | K | 96.8 | Very high | 84.3 | Confident | 37 Ų | 37 | 70 Ų | 70 | 16% | 0.161 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 158.7 | -170.9 | -61.7 | -172.5 | 176.7 | 179.5 | 0 | 112.3 | L188 K189 V191 E206 E212 L214 T215 | L188-K208 WeakPolarHBondContact CD2-O 3.45Å; K189-K208 PolarHBondContact N-O 2.97Å; K189-K208 PolarHBondContact O-N 3.38Å; V191-K208 HydrophobicContact CG2-CD 4.33Å; E206-K208 HydrophobicContact CB-CG 4.35Å; E206-K208 WeakPolarHBondContact OE2-CE 3.44Å; E206-K208 IonicContact OE2-NZ 3.55Å; E206-K208 PolarHBondContact OE2-NZ 2.83Å; K208-E212 HydrophobicContact CD-CB 4.41Å; K208-L214 CarbonylContact C-O 3.56Å; K208-L214 WeakPolarHBondContact CA-O 3.3Å; K208-T215 WeakPolarHBondContact CE-OG1 3.35Å |
| 209 | T | 96 | Very high | 86.6 | Confident | 34 Ų | 34 | 66.2 Ų | 66.2 | 21% | 0.209 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 159.4 | 164.8 | 50.8 | 0 | 0 | 0 | 0 | 111.5 | N211 E212 L214 I216 | T209-N211 WeakPolarHBondContact CB-OD1 3.4Å; T209-N211 PolarHBondContact O-N 3.44Å; T209-N211 VanDerWaalsContact O-N 3.1Å; T209-N211 PolarHBondContact OG1-OD1 2.91Å; T209-E212 WeakPolarHBondContact O-CA 3.14Å; T209-E212 PolarHBondContact O-N 2.79Å; T209-L214 HydrophobicContact CG2-CB 3.92Å; T209-L214 HydrophobicContact CG2-CD2 4.31Å; T209-L214 HydrophobicContact CG2-CG 4.5Å; T209-L214 PolarHBondContact N-O 3.12Å; T209-L214 PolarHBondContact OG1-N 3.04Å; T209-L214 PolarHBondContact OG1-O 3.11Å; T209-I216 HydrophobicContact CG2-CG2 4.17Å |
| 210 | I | 94.7 | Very high | 88.7 | Confident | 85 Ų | 85 | 61.8 Ų | 61.8 | 44% | 0.436 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -34.6 | -177.7 | -56.6 | 168.5 | 0 | 0 | 0 | 112.5 | D186 I187 K189 E212 | D186-I210 WeakPolarHBondContact O-CD1 3.5Å; I187-I210 WeakPolarHBondContact O-CG1 3.17Å; K189-I210 WeakPolarHBondContact CD-O 3.44Å; K189-I210 VanDerWaalsContact CE-O 3.23Å; K189-I210 WeakPolarHBondContact CE-O 3.45Å; K189-I210 PolarHBondContact NZ-O 3.42Å; I210-E212 PolarHBondContact O-N 2.75Å |
| 211 | N | 92.9 | Very high | 90.4 | Very high | 97 Ų | 97 | 51.7 Ų | 51.7 | 52% | 0.519 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 1.8 | 177.4 | 67.1 | 6.7 | 0 | 0 | 0 | 114.3 | T209 K213 | T209-N211 WeakPolarHBondContact CB-OD1 3.4Å; T209-N211 PolarHBondContact O-N 3.44Å; T209-N211 VanDerWaalsContact O-N 3.1Å; T209-N211 PolarHBondContact OG1-OD1 2.91Å; N211-K213 HydrophobicContact CB-CG 4.35Å; N211-K213 PolarHBondContact O-N 2.85Å; N211-K213 VanDerWaalsContact O-N 3.09Å; N211-K213 WeakPolarHBondContact OD1-CB 3.46Å; N211-K213 PolarHBondContact OD1-N 3.1Å; N211-K213 VanDerWaalsContact OD1-N 3.11Å |
| 212 | E | 91.6 | Very high | 91 | Very high | 69 Ų | 69 | 51.1 Ų | 51.1 | 32% | 0.322 | 26% | 0.258 | S | S | . | . | S | Bend | trans | 59.9 | 14.4 | 179.9 | -59.3 | 176.3 | -147.5 | 0 | 0 | 115 | K176 K189 K208 T209 I210 | K176-E212 IonicContact NZ-OE2 2.85Å; K189-E212 HydrophobicContact CD-CG 3.52Å; K189-E212 WeakPolarHBondContact CD-OE1 3.41Å; K189-E212 IonicContact NZ-OE1 2.74Å; K189-E212 PolarHBondContact NZ-OE1 2.89Å; K208-E212 HydrophobicContact CD-CB 4.41Å; T209-E212 WeakPolarHBondContact O-CA 3.14Å; T209-E212 PolarHBondContact O-N 2.79Å; I210-E212 PolarHBondContact O-N 2.75Å |
| 213 | K | 91.9 | Very high | 90.7 | Very high | 179 Ų | 179 | 52.2 Ų | 52.2 | 78% | 0.778 | 26% | 0.257 | S | S | * | . | trans | -87.1 | -37.4 | -176.1 | -64.9 | -172.7 | -179.5 | -177.4 | 0 | 114 | N211 | N211-K213 HydrophobicContact CB-CG 4.35Å; N211-K213 PolarHBondContact O-N 2.85Å; N211-K213 VanDerWaalsContact O-N 3.09Å; N211-K213 WeakPolarHBondContact OD1-CB 3.46Å; N211-K213 PolarHBondContact OD1-N 3.1Å; N211-K213 VanDerWaalsContact OD1-N 3.11Å | ||
| 214 | L | 95 | Very high | 89.3 | Confident | 109 Ų | 109 | 55.2 Ų | 55.2 | 57% | 0.571 | 28% | 0.279 | S | S | * | . | trans | -115 | 126.1 | -175.8 | 179.4 | 67.1 | 0 | 0 | 0 | 109.7 | K208 T209 I216 | K208-L214 CarbonylContact C-O 3.56Å; K208-L214 WeakPolarHBondContact CA-O 3.3Å; T209-L214 HydrophobicContact CG2-CB 3.92Å; T209-L214 HydrophobicContact CG2-CD2 4.31Å; T209-L214 HydrophobicContact CG2-CG 4.5Å; T209-L214 PolarHBondContact N-O 3.12Å; T209-L214 PolarHBondContact OG1-N 3.04Å; T209-L214 PolarHBondContact OG1-O 3.11Å; L214-I216 HydrophobicContact CD2-CG2 4.39Å; L214-I216 HydrophobicContact CG-CG2 4.42Å | ||
| 215 | T | 96.4 | Very high | 87.2 | Confident | 68 Ų | 68 | 55.4 Ų | 55.4 | 42% | 0.417 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 120.5 | 168.9 | -57.4 | 0 | 0 | 0 | 0 | 108.8 | E206 V207 K208 G217 | E206-T215 HydrophobicContact CB-CG2 4.28Å; V207-T215 CarbonylContact O-C 3.53Å; V207-T215 WeakPolarHBondContact O-CA 3.49Å; K208-T215 WeakPolarHBondContact CE-OG1 3.35Å; T215-G217 WeakPolarHBondContact CG2-O 3.23Å |
| 216 | I | 95.1 | Very high | 84.7 | Confident | 40 Ų | 40 | 64.5 Ų | 64.5 | 21% | 0.205 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | -20.8 | 179.5 | 62.6 | 152.3 | 0 | 0 | 0 | 112.4 | L188 V207 T209 L214 P242 L245 | L188-I216 HydrophobicContact CD1-CD1 3.44Å; L188-I216 VanDerWaalsContact CD1-CD1 3.44Å; L188-I216 HydrophobicContact CD2-CD1 3.5Å; L188-I216 HydrophobicContact CD2-CG1 4.22Å; L188-I216 HydrophobicContact CG-CD1 4.07Å; V207-I216 HydrophobicContact CB-CG1 4.13Å; V207-I216 HydrophobicContact CG1-CD1 3.83Å; V207-I216 HydrophobicContact CG1-CG1 3.77Å; V207-I216 VanDerWaalsContact O-CG1 3.29Å; V207-I216 WeakPolarHBondContact O-CG1 3.49Å; V207-I216 PolarHBondContact O-N 3.41Å; T209-I216 HydrophobicContact CG2-CG2 4.17Å; L214-I216 HydrophobicContact CD2-CG2 4.39Å; L214-I216 HydrophobicContact CG-CG2 4.42Å; I216-P242 VanDerWaalsContact O-CD 3.3Å; I216-P242 WeakPolarHBondContact O-CD 3.18Å; I216-L245 HydrophobicContact CD1-CD1 4.23Å; I216-L245 HydrophobicContact CD1-CD2 4.45Å |
| 217 | G | 95.1 | Very high | 82.2 | Confident | 11 Ų | 11 | 62.6 Ų | 62.6 | 11% | 0.113 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.6 | -173.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V207 T215 H240 | V207-G217 PolarHBondContact N-O 3Å; V207-G217 PolarHBondContact O-N 2.71Å; T215-G217 WeakPolarHBondContact CG2-O 3.23Å; G217-H240 CarbonylContact C-O 3.52Å; G217-H240 WeakPolarHBondContact CA-O 3.07Å |
| 218 | K | 94.6 | Very high | 79.7 | Confident | 80 Ų | 80 | 69.7 Ų | 69.7 | 35% | 0.348 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 153.5 | 178.5 | 61.3 | 177 | -175.4 | 174.7 | 0 | 112.3 | F205 H240 | F205-K218 CarbonylContact O-C 3.56Å; F205-K218 VanDerWaalsContact O-CA 3.27Å; F205-K218 WeakPolarHBondContact O-CA 3.07Å; K218-H240 HydrophobicContact CG-CB 3.92Å; K218-H240 PolarHBondContact N-O 2.78Å; K218-H240 PolarHBondContact O-N 3.01Å |
| 219 | I | 94 | Very high | 77.3 | Confident | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 121.6 | 166.4 | -64.8 | 167.8 | 0 | 0 | 0 | 106.6 | I190 F205 V207 F237 G238 I239 M253 A256 C257 F260 | I190-I219 HydrophobicContact CD1-CD1 4.16Å; F205-I219 HydrophobicContact CB-CB 4.17Å; F205-I219 PolarHBondContact N-O 2.82Å; F205-I219 PolarHBondContact O-N 2.93Å; V207-I219 HydrophobicContact CG2-CG1 4.43Å; I219-F237 HydrophobicContact CG2-CD1 4.39Å; I219-G238 CarbonylContact C-O 3.55Å; I219-G238 WeakPolarHBondContact CA-O 3.22Å; I219-I239 HydrophobicContact CG1-CG1 4.34Å; I219-I239 HydrophobicContact CG1-CG2 4.33Å; I219-M253 HydrophobicContact CD1-CB 4.33Å; I219-M253 HydrophobicContact CD1-CE 4.35Å; I219-M253 HydrophobicContact CG1-CE 4.12Å; I219-A256 HydrophobicContact CD1-CB 4.18Å; I219-C257 WeakPolarHBondContact CG2-SG 3.29Å; I219-F260 HydrophobicContact CB-CE2 4.49Å; I219-F260 HydrophobicContact CD1-CE2 3.9Å; I219-F260 HydrophobicContact CG2-CD2 4.07Å; I219-F260 HydrophobicContact CG2-CE2 4.28Å |
| 220 | S | 89.4 | Confident | 75 | Confident | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 132.6 | -176.4 | -62.2 | 0 | 0 | 0 | 0 | 110.3 | V203 N204 F237 G238 | V203-S220 CarbonylContact O-C 3.47Å; V203-S220 VanDerWaalsContact O-CA 3.29Å; V203-S220 WeakPolarHBondContact O-CA 3.29Å; N204-S220 WeakPolarHBondContact OD1-CB 3.37Å; N204-S220 PolarHBondContact OD1-OG 3Å; S220-F237 CarbonylContact O-C 3.54Å; S220-F237 VanDerWaalsContact O-CA 3.25Å; S220-F237 WeakPolarHBondContact O-CA 3.46Å; S220-G238 PolarHBondContact N-O 2.81Å; S220-G238 PolarHBondContact O-N 2.78Å |
| 221 | K | 84.6 | Confident | 72.8 | Confident | 6 Ų | 6 | 76.5 Ų | 76.5 | 3% | 0.026 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 122.7 | 162.9 | -169.5 | -176.1 | -177.6 | 98.4 | 0 | 108.7 | D202 V203 F237 D261 F265 | D202-K221 WeakPolarHBondContact CA-O 3.07Å; V203-K221 HydrophobicContact CB-CB 4.45Å; V203-K221 PolarHBondContact N-O 3.37Å; V203-K221 PolarHBondContact O-N 2.96Å; K221-F237 HydrophobicContact CB-CD1 3.92Å; K221-F237 HydrophobicContact CB-CE1 3.68Å; K221-F237 HydrophobicContact CB-CZ 4.17Å; K221-F237 HydrophobicContact CD-CE1 4.13Å; K221-F237 HydrophobicContact CD-CE2 4.29Å; K221-F237 HydrophobicContact CD-CZ 3.76Å; K221-F237 HydrophobicContact CG-CD1 4.29Å; K221-F237 HydrophobicContact CG-CE1 3.93Å; K221-F237 HydrophobicContact CG-CE2 4.22Å; K221-F237 HydrophobicContact CG-CZ 3.89Å; K221-D261 IonicContact NZ-OD1 2.75Å; K221-D261 PolarHBondContact NZ-OD1 2.75Å; K221-F265 HydrophobicContact CB-CE2 4.25Å; K221-F265 HydrophobicContact CB-CZ 4.06Å; K221-F265 HydrophobicContact CD-CB 4.15Å; K221-F265 HydrophobicContact CD-CD1 3.28Å; K221-F265 HydrophobicContact CD-CD2 3.46Å; K221-F265 VanDerWaalsContact CD-CD2 3.46Å; K221-F265 HydrophobicContact CD-CE1 3.33Å; K221-F265 HydrophobicContact CD-CE2 3.5Å; K221-F265 VanDerWaalsContact CD-CE2 3.5Å; K221-F265 HydrophobicContact CD-CG 3.34Å; K221-F265 HydrophobicContact CD-CZ 3.42Å; K221-F265 VanDerWaalsContact CD-CZ 3.42Å; K221-F265 VanDerWaalsContact CE-CD1 3.49Å; K221-F265 VanDerWaalsContact CE-CG 3.41Å; K221-F265 HydrophobicContact CG-CE2 4.47Å; K221-F265 HydrophobicContact CG-CZ 4.37Å |
| 222 | Y | 76.8 | Confident | 70.3 | Confident | 24 Ų | 24 | 75 Ų | 75 | 9% | 0.094 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 134.4 | 177.9 | -57.1 | -74.8 | 0 | 0 | 0 | 110.6 | D202 F231 N236 H240 | D202-Y222 WeakPolarHBondContact OD1-CA 3.48Å; D202-Y222 WeakPolarHBondContact OD2-CD1 3.21Å; Y222-F231 HydrophobicContact CD2-CD1 4.3Å; Y222-F231 HydrophobicContact CE2-CD1 4.32Å; Y222-F231 HydrophobicContact CE2-CE1 4.25Å; Y222-N236 WeakPolarHBondContact CD2-O 3.38Å; Y222-N236 PolarHBondContact N-O 2.84Å; Y222-H240 PolarHBondContact OH-NE2 2.9Å; Y222-H240 VanDerWaalsContact OH-NE2 3.09Å |
| 223 | W | 63.5 | Low | 68 | Low | 86 Ų | 86 | 79.3 Ų | 79.3 | 33% | 0.326 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -90.6 | 136.3 | 171.7 | -72.6 | 86.5 | 0 | 0 | 0 | 110.7 | G201 D202 G225 F265 | G201-W223 VanDerWaalsContact C-CD1 3.43Å; G201-W223 PolarHBondContact O-NE1 2.74Å; G201-W223 VanDerWaalsContact O-NE1 3.11Å; D202-W223 PolarHBondContact OD1-N 2.89Å; W223-G225 PolarHBondContact O-N 3.4Å; W223-F265 HydrophobicContact CZ2-CD1 4.39Å; W223-F265 HydrophobicContact CZ2-CE1 4.49Å |
| 224 | S | 53.2 | Low | 65.8 | Low | 78 Ų | 78 | 71.8 Ų | 71.8 | 55% | 0.545 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | 14.4 | -172.2 | 27 | 0 | 0 | 0 | 0 | 115.8 | ||
| 225 | G | 44.4 | Very low | 63.9 | Low | 75 Ų | 75 | 68.3 Ų | 68.3 | 77% | 0.773 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121 | -4.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | W223 | W223-G225 PolarHBondContact O-N 3.4Š|
| 226 | F | 39.9 | Very low | 62.9 | Low | 194 Ų | 194 | 65.8 Ų | 65.8 | 85% | 0.851 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -130.4 | 0.8 | -167.1 | -138.6 | -95.5 | 0 | 0 | 0 | 116.8 | ||
| 227 | V | 43 | Very low | 62.5 | Low | 43 Ų | 43 | 64.2 Ų | 64.2 | 26% | 0.261 | 36% | 0.357 | S | S | . | . | trans | -112 | 136.3 | -169.9 | -155.5 | 0 | 0 | 0 | 0 | 111.9 | F231 T232 | V227-F231 HydrophobicContact CB-CB 4.44Å; V227-F231 HydrophobicContact CG1-CB 4.25Å; V227-F231 HydrophobicContact CG1-CD2 4.17Å; V227-T232 WeakPolarHBondContact O-CG2 3.37Å | ||
| 228 | N | 44.2 | Very low | 62.3 | Low | 148 Ų | 148 | 63.7 Ų | 63.7 | 79% | 0.791 | 35% | 0.352 | S | S | * | . | trans | -76.7 | 121 | 174.3 | -73.4 | -36.2 | 0 | 0 | 0 | 111.3 | V230 | N228-V230 PolarHBondContact O-N 3.13Š| ||
| 229 | D | 47.3 | Very low | 62.3 | Low | 144 Ų | 144 | 59.9 Ų | 59.9 | 77% | 0.77 | 34% | 0.335 | S | S | * | . | S | Bend | trans | 54.8 | -5.2 | 150.8 | -70 | -19.4 | 0 | 0 | 0 | 123.6 | ||
| 230 | V | 47.9 | Very low | 62.4 | Low | 112 Ų | 112 | 62.7 Ų | 62.7 | 68% | 0.679 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -116.2 | -26.3 | 173 | -175.5 | 0 | 0 | 0 | 0 | 113.6 | N228 | N228-V230 PolarHBondContact O-N 3.13Š|
| 231 | F | 47.7 | Very low | 62.7 | Low | 43 Ų | 43 | 63.3 Ų | 63.3 | 19% | 0.189 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -112.5 | 11.7 | -174.1 | -65.6 | -81.6 | 0 | 0 | 0 | 113.4 | I69 Y222 V227 N233 | I69-F231 HydrophobicContact CD1-CE1 3.94Å; I69-F231 HydrophobicContact CG1-CE1 4.39Å; Y222-F231 HydrophobicContact CD2-CD1 4.3Å; Y222-F231 HydrophobicContact CE2-CD1 4.32Å; Y222-F231 HydrophobicContact CE2-CE1 4.25Å; V227-F231 HydrophobicContact CB-CB 4.44Å; V227-F231 HydrophobicContact CG1-CB 4.25Å; V227-F231 HydrophobicContact CG1-CD2 4.17Å; F231-N233 PolarHBondContact O-N 3.33Å; F231-N233 VanDerWaalsContact O-N 3.1Å |
| 232 | T | 41.3 | Very low | 63.2 | Low | 66 Ų | 66 | 65.3 Ų | 65.3 | 41% | 0.405 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 8.3 | -151.3 | 17.6 | 0 | 0 | 0 | 0 | 118.3 | V227 | V227-T232 WeakPolarHBondContact O-CG2 3.37Š|
| 233 | N | 42.3 | Very low | 63.9 | Low | 160 Ų | 160 | 66.2 Ų | 66.2 | 86% | 0.856 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142.2 | 14.2 | -172.2 | -128 | 8 | 0 | 0 | 0 | 119.1 | F231 | F231-N233 PolarHBondContact O-N 3.33Å; F231-N233 VanDerWaalsContact O-N 3.1Å |
| 234 | A | 45.1 | Very low | 65.2 | Low | 20 Ų | 20 | 69.2 Ų | 69.2 | 17% | 0.165 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -165.6 | 161.2 | 170 | 0 | 0 | 0 | 0 | 0 | 112.4 | H71 N236 | H71-A234 WeakPolarHBondContact CD2-CB 3.29Å; H71-A234 WeakPolarHBondContact NE2-CB 3.1Å; A234-N236 VanDerWaalsContact C-N 3.34Å; A234-N236 VanDerWaalsContact O-CG 3.32Å; A234-N236 PolarHBondContact O-N 3.46Å; A234-N236 PolarHBondContact O-ND2 3.34Å |
| 235 | D | 56.5 | Low | 67.2 | Low | 37 Ų | 37 | 67 Ų | 67 | 20% | 0.198 | 38% | 0.382 | C | S | . | . | trans | -59.4 | 90.3 | 172.3 | -60.9 | -46.5 | 0 | 0 | 0 | 110.4 | ||||
| 236 | N | 74 | Confident | 69.5 | Low | 15 Ų | 15 | 66.7 Ų | 66.7 | 8% | 0.08 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 133.8 | -174.3 | -72.2 | -56.7 | 0 | 0 | 0 | 110.7 | I69 I70 H71 Y222 A234 | I69-N236 HydrophobicContact CG2-CB 4.45Å; I70-N236 WeakPolarHBondContact O-CA 3.39Å; H71-N236 WeakPolarHBondContact CA-OD1 3.4Å; H71-N236 VanDerWaalsContact CB-OD1 3.3Å; H71-N236 WeakPolarHBondContact CB-OD1 3.37Å; H71-N236 PolarHBondContact CD2-OD1 2.87Å; Y222-N236 WeakPolarHBondContact CD2-O 3.38Å; Y222-N236 PolarHBondContact N-O 2.84Å; A234-N236 VanDerWaalsContact C-N 3.34Å; A234-N236 VanDerWaalsContact O-CG 3.32Å; A234-N236 PolarHBondContact O-N 3.46Å; A234-N236 PolarHBondContact O-ND2 3.34Å |
| 237 | F | 87.7 | Confident | 72.2 | Confident | 7 Ų | 7 | 57.7 Ų | 57.7 | 3% | 0.031 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 141.3 | 160.9 | -70 | -98.8 | 0 | 0 | 0 | 109.8 | I69 I70 I219 S220 K221 F260 D261 F265 | I69-F237 CarbonylContact C-O 3.52Å; I69-F237 WeakPolarHBondContact CA-O 3.41Å; I70-F237 HydrophobicContact CB-CB 4.26Å; I70-F237 PolarHBondContact N-O 2.9Å; I70-F237 PolarHBondContact O-N 2.91Å; I219-F237 HydrophobicContact CG2-CD1 4.39Å; S220-F237 CarbonylContact O-C 3.54Å; S220-F237 VanDerWaalsContact O-CA 3.25Å; S220-F237 WeakPolarHBondContact O-CA 3.46Å; K221-F237 HydrophobicContact CB-CD1 3.92Å; K221-F237 HydrophobicContact CB-CE1 3.68Å; K221-F237 HydrophobicContact CB-CZ 4.17Å; K221-F237 HydrophobicContact CD-CE1 4.13Å; K221-F237 HydrophobicContact CD-CE2 4.29Å; K221-F237 HydrophobicContact CD-CZ 3.76Å; K221-F237 HydrophobicContact CG-CD1 4.29Å; K221-F237 HydrophobicContact CG-CE1 3.93Å; K221-F237 HydrophobicContact CG-CE2 4.22Å; K221-F237 HydrophobicContact CG-CZ 3.89Å; F237-F260 HydrophobicContact CE1-CB 4.42Å; F237-D261 HydrophobicContact CE2-CB 3.7Å; F237-D261 VanDerWaalsContact CE2-OD1 3.27Å; F237-D261 WeakPolarHBondContact CE2-OD1 2.77Å; F237-D261 HydrophobicContact CZ-CB 3.69Å; F237-F265 HydrophobicContact CE1-CD2 4.27Å; F237-F265 HydrophobicContact CE1-CE2 4.07Å; F237-F265 AromaticContact CZ-CD2 3.8Å; F237-F265 HydrophobicContact CZ-CD2 3.8Å; F237-F265 HydrophobicContact CZ-CE2 4.07Å |
| 238 | G | 91.4 | Very high | 74.7 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 129.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | I219 S220 | I219-G238 CarbonylContact C-O 3.55Å; I219-G238 WeakPolarHBondContact CA-O 3.22Å; S220-G238 PolarHBondContact N-O 2.81Å; S220-G238 PolarHBondContact O-N 2.78Å |
| 239 | I | 95.1 | Very high | 77.2 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 112.3 | 175 | -51.8 | 177.9 | 0 | 0 | 0 | 107.7 | L67 I68 I70 I219 V241 M253 I254 C257 | L67-I239 WeakPolarHBondContact CA-O 3.48Å; L67-I239 WeakPolarHBondContact CD1-O 3.23Å; I68-I239 HydrophobicContact CB-CB 4.14Å; I68-I239 HydrophobicContact CB-CD1 4.36Å; I68-I239 HydrophobicContact CG2-CD1 4.46Å; I68-I239 PolarHBondContact N-O 3.15Å; I68-I239 PolarHBondContact O-N 2.88Å; I70-I239 HydrophobicContact CD1-CD1 4.19Å; I219-I239 HydrophobicContact CG1-CG1 4.34Å; I219-I239 HydrophobicContact CG1-CG2 4.33Å; I239-V241 HydrophobicContact CG2-CG1 4.16Å; I239-M253 HydrophobicContact CD1-CB 4.33Å; I239-M253 HydrophobicContact CG2-CB 4.18Å; I239-M253 HydrophobicContact CG2-CE 3.48Å; I239-M253 VanDerWaalsContact CG2-CE 3.48Å; I239-I254 HydrophobicContact CD1-CB 4.47Å; I239-I254 HydrophobicContact CD1-CG1 3.85Å; I239-C257 VanDerWaalsContact CG1-SG 3.52Å |
| 240 | H | 95.2 | Very high | 79.5 | Confident | 59 Ų | 59 | 43.2 Ų | 43.2 | 27% | 0.273 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 117.4 | 177.8 | -68.8 | -99.8 | 0 | 0 | 0 | 109.5 | D66 G217 K218 Y222 | D66-H240 WeakPolarHBondContact O-CA 3.32Å; G217-H240 CarbonylContact C-O 3.52Å; G217-H240 WeakPolarHBondContact CA-O 3.07Å; K218-H240 HydrophobicContact CG-CB 3.92Å; K218-H240 PolarHBondContact N-O 2.78Å; K218-H240 PolarHBondContact O-N 3.01Å; Y222-H240 PolarHBondContact OH-NE2 2.9Å; Y222-H240 VanDerWaalsContact OH-NE2 3.09Å |
| 241 | V | 94.9 | Very high | 81.9 | Confident | 12 Ų | 12 | 37.9 Ų | 37.9 | 7% | 0.073 | 21% | 0.214 | C | C | . | . | trans | -148 | 163.3 | -176.1 | -73.5 | 0 | 0 | 0 | 0 | 111.7 | D66 I239 L245 K250 M253 | D66-V241 CarbonylContact C-O 3.45Å; D66-V241 WeakPolarHBondContact CA-O 2.94Å; D66-V241 WeakPolarHBondContact CB-O 3.49Å; D66-V241 PolarHBondContact O-N 2.84Å; D66-V241 VanDerWaalsContact O-O 3.04Å; I239-V241 HydrophobicContact CG2-CG1 4.16Å; V241-L245 HydrophobicContact CB-CD2 3.8Å; V241-L245 HydrophobicContact CG1-CD2 3.75Å; V241-L245 HydrophobicContact CG2-CD2 4.35Å; V241-K250 HydrophobicContact CG2-CD 4.35Å; V241-K250 HydrophobicContact CG2-CG 4.29Å; V241-M253 HydrophobicContact CG1-CE 3.18Å; V241-M253 HydrophobicContact CG1-SD 3.68Å | ||
| 242 | P | 94.9 | Very high | 84.2 | Confident | 49 Ų | 49 | 35.9 Ų | 35.9 | 32% | 0.318 | 21% | 0.205 | S | C | . | . | trans | -62.8 | 141.3 | 171 | -21.4 | 35.3 | 0 | 0 | 0 | 111.3 | I216 D244 L245 K250 | I216-P242 VanDerWaalsContact O-CD 3.3Å; I216-P242 WeakPolarHBondContact O-CD 3.18Å; P242-D244 WeakPolarHBondContact CB-OD1 3.34Å; P242-D244 PolarHBondContact O-N 2.05Å; P242-L245 VanDerWaalsContact O-CB 3.23Å; P242-L245 WeakPolarHBondContact O-CB 3.36Å; P242-L245 PolarHBondContact O-N 2.9Å; P242-L245 VanDerWaalsContact O-N 3.13Å; P242-K250 WeakPolarHBondContact O-CE 3.44Å | ||
| 243 | A | 91.6 | Very high | 86.8 | Confident | 43 Ų | 43 | 32.8 Ų | 32.8 | 36% | 0.355 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -33.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | D66 L245 K250 | D66-A243 HydrophobicContact CB-CB 4.49Å; A243-L245 VanDerWaalsContact C-N 3.27Å; A243-L245 PolarHBondContact O-N 3.37Å; A243-K250 PolarHBondContact O-NZ 2.65Å |
| 244 | D | 91.6 | Very high | 89.4 | Confident | 148 Ų | 148 | 25.1 Ų | 25.1 | 79% | 0.791 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -1.3 | 177.9 | 64.4 | -35.1 | 0 | 0 | 0 | 114.4 | P242 | P242-D244 WeakPolarHBondContact CB-OD1 3.34Å; P242-D244 PolarHBondContact O-N 2.05Å |
| 245 | L | 94.1 | Very high | 91.7 | Very high | 31 Ų | 31 | 24.2 Ų | 24.2 | 16% | 0.162 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -62.2 | 140 | 174.6 | -173.8 | 66.4 | 0 | 0 | 0 | 110.7 | L188 I216 V241 P242 A243 V247 V249 K250 M253 | L188-L245 HydrophobicContact CD1-CD1 4.42Å; I216-L245 HydrophobicContact CD1-CD1 4.23Å; I216-L245 HydrophobicContact CD1-CD2 4.45Å; V241-L245 HydrophobicContact CB-CD2 3.8Å; V241-L245 HydrophobicContact CG1-CD2 3.75Å; V241-L245 HydrophobicContact CG2-CD2 4.35Å; P242-L245 VanDerWaalsContact O-CB 3.23Å; P242-L245 WeakPolarHBondContact O-CB 3.36Å; P242-L245 PolarHBondContact O-N 2.9Å; P242-L245 VanDerWaalsContact O-N 3.13Å; A243-L245 VanDerWaalsContact C-N 3.27Å; A243-L245 PolarHBondContact O-N 3.37Å; L245-V247 PolarHBondContact O-N 2.92Å; L245-V249 HydrophobicContact CD1-CG1 4.23Å; L245-V249 HydrophobicContact CD2-CG1 3.83Å; L245-V249 HydrophobicContact CG-CB 4.32Å; L245-V249 HydrophobicContact CG-CG1 4.08Å; L245-K250 HydrophobicContact CD2-CG 4.32Å; L245-K250 WeakPolarHBondContact O-CE 3.33Å; L245-M253 HydrophobicContact CD2-SD 4.06Å |
| 246 | D | 94.5 | Very high | 93.5 | Very high | 70 Ų | 70 | 22.4 Ų | 22.4 | 37% | 0.374 | 13% | 0.128 | S | C | . | . | trans | -53 | 134.3 | -179.4 | -175.6 | -83.3 | 0 | 0 | 0 | 112.2 | T248 V249 K250 | D246-T248 VanDerWaalsContact C-N 3.28Å; D246-T248 PolarHBondContact O-N 2.86Å; D246-T248 WeakPolarHBondContact OD1-CA 3.4Å; D246-T248 VanDerWaalsContact OD1-CB 3.24Å; D246-T248 WeakPolarHBondContact OD1-CB 3.45Å; D246-T248 PolarHBondContact OD1-N 3.03Å; D246-T248 PolarHBondContact OD1-OG1 2.89Å; D246-V249 HydrophobicContact CB-CB 4.38Å; D246-V249 HydrophobicContact CB-CG2 4.04Å; D246-V249 WeakPolarHBondContact O-CB 3.29Å; D246-V249 PolarHBondContact O-N 3.39Å; D246-V249 VanDerWaalsContact O-N 3.15Å; D246-V249 PolarHBondContact OD1-N 3.09Å; D246-K250 PolarHBondContact O-N 2.77Å | ||
| 247 | V | 95.4 | Very high | 94.4 | Very high | 5 Ų | 5 | 21.8 Ų | 21.8 | 3% | 0.03 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68.2 | -26.9 | -174.3 | -60.6 | 0 | 0 | 0 | 0 | 113.2 | L55 L59 L62 L245 V249 K250 A251 | L55-V247 HydrophobicContact CD1-CB 4.14Å; L55-V247 HydrophobicContact CD1-CG1 3.81Å; L55-V247 HydrophobicContact CD1-CG2 3.24Å; L55-V247 HydrophobicContact CD2-CG1 4.28Å; L55-V247 HydrophobicContact CD2-CG2 4.38Å; L55-V247 HydrophobicContact CG-CG1 4.43Å; L55-V247 HydrophobicContact CG-CG2 3.73Å; L59-V247 HydrophobicContact CB-CB 4.08Å; L59-V247 HydrophobicContact CB-CG2 3.82Å; L59-V247 HydrophobicContact CD1-CB 4.32Å; L59-V247 HydrophobicContact CD1-CG2 3.84Å; L62-V247 HydrophobicContact CB-CB 4.25Å; L62-V247 HydrophobicContact CB-CG1 4.11Å; L245-V247 PolarHBondContact O-N 2.92Å; V247-V249 VanDerWaalsContact C-N 3.32Å; V247-K250 PolarHBondContact O-N 2.96Å; V247-A251 WeakPolarHBondContact O-CB 3.37Å; V247-A251 PolarHBondContact O-N 3.11Å |
| 248 | T | 95.8 | Very high | 94.3 | Very high | 27 Ų | 27 | 21.6 Ų | 21.6 | 17% | 0.166 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -71 | -34.4 | 176 | 71.1 | 0 | 0 | 0 | 0 | 110.4 | P56 V163 D246 A251 A252 | P56-T248 HydrophobicContact CG-CG2 3.92Å; V163-T248 HydrophobicContact CB-CG2 3.91Å; V163-T248 HydrophobicContact CG1-CG2 4.25Å; V163-T248 HydrophobicContact CG2-CG2 4.48Å; D246-T248 VanDerWaalsContact C-N 3.28Å; D246-T248 PolarHBondContact O-N 2.86Å; D246-T248 WeakPolarHBondContact OD1-CA 3.4Å; D246-T248 VanDerWaalsContact OD1-CB 3.24Å; D246-T248 WeakPolarHBondContact OD1-CB 3.45Å; D246-T248 PolarHBondContact OD1-N 3.03Å; D246-T248 PolarHBondContact OD1-OG1 2.89Å; T248-A251 PolarHBondContact O-N 2.82Å; T248-A252 WeakPolarHBondContact O-CB 3.33Å; T248-A252 PolarHBondContact O-N 2.85Å |
| 249 | V | 96.5 | Very high | 94.1 | Very high | 4 Ų | 4 | 21.6 Ų | 21.6 | 2% | 0.024 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.4 | -45.1 | 170.4 | 175.2 | 0 | 0 | 0 | 0 | 110.4 | I179 I187 L188 L245 D246 V247 A251 A252 M253 | I179-V249 HydrophobicContact CD1-CG1 4.15Å; I179-V249 HydrophobicContact CG2-CG1 4.46Å; I187-V249 HydrophobicContact CD1-CG2 4.06Å; I187-V249 HydrophobicContact CG2-CG2 4.21Å; L188-V249 HydrophobicContact CD1-CG1 3.5Å; L188-V249 VanDerWaalsContact CD1-CG1 3.5Å; L245-V249 HydrophobicContact CD1-CG1 4.23Å; L245-V249 HydrophobicContact CD2-CG1 3.83Å; L245-V249 HydrophobicContact CG-CB 4.32Å; L245-V249 HydrophobicContact CG-CG1 4.08Å; D246-V249 HydrophobicContact CB-CB 4.38Å; D246-V249 HydrophobicContact CB-CG2 4.04Å; D246-V249 WeakPolarHBondContact O-CB 3.29Å; D246-V249 PolarHBondContact O-N 3.39Å; D246-V249 VanDerWaalsContact O-N 3.15Å; D246-V249 PolarHBondContact OD1-N 3.09Å; V247-V249 VanDerWaalsContact C-N 3.32Å; V249-A251 VanDerWaalsContact C-N 3.32Å; V249-A251 PolarHBondContact O-N 2.84Å; V249-A252 WeakPolarHBondContact O-CB 3.27Å; V249-A252 PolarHBondContact O-N 2.85Å; V249-A252 VanDerWaalsContact O-N 3.15Å; V249-M253 HydrophobicContact CG1-CG 4.5Å; V249-M253 HydrophobicContact CG1-SD 4.08Å; V249-M253 VanDerWaalsContact O-CG 3.31Å; V249-M253 WeakPolarHBondContact O-CG 3.07Å; V249-M253 PolarHBondContact O-N 3.32Å |
| 250 | K | 96.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.2 | -41.6 | 175 | -65.5 | -176.5 | -172.3 | 175.7 | 0 | 111.9 | L62 L65 I68 V241 P242 A243 L245 D246 V247 A252 M253 I254 | L62-K250 HydrophobicContact CB-CD 4.31Å; L62-K250 HydrophobicContact CD1-CB 4.24Å; L62-K250 WeakPolarHBondContact O-CD 3.47Å; L62-K250 PolarHBondContact O-NZ 3.45Å; L65-K250 WeakPolarHBondContact O-CE 3.4Å; L65-K250 PolarHBondContact O-NZ 3.27Å; I68-K250 HydrophobicContact CD1-CB 4.28Å; V241-K250 HydrophobicContact CG2-CD 4.35Å; V241-K250 HydrophobicContact CG2-CG 4.29Å; P242-K250 WeakPolarHBondContact O-CE 3.44Å; A243-K250 PolarHBondContact O-NZ 2.65Å; L245-K250 HydrophobicContact CD2-CG 4.32Å; L245-K250 WeakPolarHBondContact O-CE 3.33Å; D246-K250 PolarHBondContact O-N 2.77Å; V247-K250 PolarHBondContact O-N 2.96Å; K250-A252 VanDerWaalsContact C-N 3.35Å; K250-M253 PolarHBondContact O-N 2.87Å; K250-I254 WeakPolarHBondContact O-CG1 3.2Å; K250-I254 PolarHBondContact O-N 2.81Å |
| 251 | A | 96.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.6 | -41.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | L59 L62 I133 I155 V247 T248 V249 M253 I254 G255 | L59-A251 HydrophobicContact CD1-CB 4.23Å; L62-A251 HydrophobicContact CD1-CB 4.42Å; I133-A251 HydrophobicContact CD1-CB 3.97Å; I155-A251 HydrophobicContact CG2-CB 4.18Å; V247-A251 WeakPolarHBondContact O-CB 3.37Å; V247-A251 PolarHBondContact O-N 3.11Å; T248-A251 PolarHBondContact O-N 2.82Å; V249-A251 VanDerWaalsContact C-N 3.32Å; V249-A251 PolarHBondContact O-N 2.84Å; A251-M253 VanDerWaalsContact C-N 3.34Å; A251-M253 PolarHBondContact O-N 2.88Å; A251-I254 WeakPolarHBondContact O-CB 3.4Å; A251-I254 PolarHBondContact O-N 2.9Å; A251-G255 PolarHBondContact O-N 2.91Å |
| 252 | A | 97.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.008 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64.6 | -36.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | I155 V166 I179 T248 V249 K250 G255 A256 | I155-A252 HydrophobicContact CG1-CB 4.15Å; V166-A252 HydrophobicContact CG2-CB 4.01Å; V166-A252 WeakPolarHBondContact CG2-O 3.3Å; I179-A252 HydrophobicContact CG2-CB 3.81Å; T248-A252 WeakPolarHBondContact O-CB 3.33Å; T248-A252 PolarHBondContact O-N 2.85Å; V249-A252 WeakPolarHBondContact O-CB 3.27Å; V249-A252 PolarHBondContact O-N 2.85Å; V249-A252 VanDerWaalsContact O-N 3.15Å; K250-A252 VanDerWaalsContact C-N 3.35Å; A252-G255 CarbonylContact O-C 3.55Å; A252-G255 PolarHBondContact O-N 2.88Å; A252-A256 PolarHBondContact O-N 2.76Å |
| 253 | M | 96.8 | Very high | 91 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -67.3 | -36.8 | 175 | -69.1 | 175.4 | 66.6 | 0 | 0 | 112.3 | I179 V207 I219 I239 V241 L245 V249 K250 A251 G255 A256 C257 | I179-M253 HydrophobicContact CD1-CG 3.54Å; I179-M253 HydrophobicContact CD1-SD 4.26Å; V207-M253 HydrophobicContact CB-CE 4.28Å; V207-M253 HydrophobicContact CG1-CE 4.35Å; V207-M253 HydrophobicContact CG1-SD 4.45Å; V207-M253 HydrophobicContact CG2-CE 3.49Å; V207-M253 VanDerWaalsContact CG2-CE 3.49Å; I219-M253 HydrophobicContact CD1-CB 4.33Å; I219-M253 HydrophobicContact CD1-CE 4.35Å; I219-M253 HydrophobicContact CG1-CE 4.12Å; I239-M253 HydrophobicContact CD1-CB 4.33Å; I239-M253 HydrophobicContact CG2-CB 4.18Å; I239-M253 HydrophobicContact CG2-CE 3.48Å; I239-M253 VanDerWaalsContact CG2-CE 3.48Å; V241-M253 HydrophobicContact CG1-CE 3.18Å; V241-M253 HydrophobicContact CG1-SD 3.68Å; L245-M253 HydrophobicContact CD2-SD 4.06Å; V249-M253 HydrophobicContact CG1-CG 4.5Å; V249-M253 HydrophobicContact CG1-SD 4.08Å; V249-M253 VanDerWaalsContact O-CG 3.31Å; V249-M253 WeakPolarHBondContact O-CG 3.07Å; V249-M253 PolarHBondContact O-N 3.32Å; K250-M253 PolarHBondContact O-N 2.87Å; A251-M253 VanDerWaalsContact C-N 3.34Å; A251-M253 PolarHBondContact O-N 2.88Å; M253-G255 VanDerWaalsContact C-N 3.35Å; M253-A256 PolarHBondContact O-N 2.8Å; M253-C257 PolarHBondContact O-N 3.44Å |
| 254 | I | 95.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -59.2 | -47.4 | 169.1 | -70.6 | 164.2 | 0 | 0 | 0 | 110 | L62 I68 I70 I91 I124 I239 K250 A251 A256 C257 F258 | L62-I254 HydrophobicContact CD1-CD1 4.12Å; L62-I254 HydrophobicContact CD2-CD1 4.04Å; I68-I254 HydrophobicContact CD1-CD1 4.23Å; I68-I254 HydrophobicContact CD1-CG1 4.38Å; I68-I254 HydrophobicContact CG2-CD1 4.33Å; I68-I254 HydrophobicContact CG2-CG1 4.25Å; I70-I254 HydrophobicContact CD1-CG2 4.17Å; I91-I254 HydrophobicContact CD1-CG2 3.89Å; I124-I254 HydrophobicContact CD1-CG2 3.84Å; I239-I254 HydrophobicContact CD1-CB 4.47Å; I239-I254 HydrophobicContact CD1-CG1 3.85Å; K250-I254 WeakPolarHBondContact O-CG1 3.2Å; K250-I254 PolarHBondContact O-N 2.81Å; A251-I254 WeakPolarHBondContact O-CB 3.4Å; A251-I254 PolarHBondContact O-N 2.9Å; I254-A256 VanDerWaalsContact C-N 3.34Å; I254-A256 PolarHBondContact O-N 3.12Å; I254-C257 WeakPolarHBondContact O-CB 3.44Å; I254-C257 PolarHBondContact O-N 3.44Å; I254-F258 HydrophobicContact CG2-CD2 4.19Å; I254-F258 HydrophobicContact CG2-CE2 3.49Å; I254-F258 VanDerWaalsContact CG2-CE2 3.49Å; I254-F258 HydrophobicContact CG2-CZ 4.3Å; I254-F258 WeakPolarHBondContact O-CD2 3.23Å; I254-F258 PolarHBondContact O-N 2.82Å |
| 255 | G | 94.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -57 | -44.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L153 A251 A252 M253 C257 F258 L259 | L153-G255 WeakPolarHBondContact CD1-O 3.42Å; A251-G255 PolarHBondContact O-N 2.91Å; A252-G255 CarbonylContact O-C 3.55Å; A252-G255 PolarHBondContact O-N 2.88Å; M253-G255 VanDerWaalsContact C-N 3.35Å; G255-C257 VanDerWaalsContact C-N 3.35Å; G255-C257 PolarHBondContact O-N 2.81Å; G255-F258 PolarHBondContact O-N 3.48Å; G255-L259 PolarHBondContact O-N 2.95Å; G255-L259 VanDerWaalsContact O-N 3.11Å |
| 256 | A | 94.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -61.4 | -39.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V166 I190 I219 A252 M253 I254 F258 L259 F260 | V166-A256 HydrophobicContact CG1-CB 4.08Å; V166-A256 HydrophobicContact CG2-CB 4.26Å; I190-A256 HydrophobicContact CD1-CB 3.78Å; I219-A256 HydrophobicContact CD1-CB 4.18Å; A252-A256 PolarHBondContact O-N 2.76Å; M253-A256 PolarHBondContact O-N 2.8Å; I254-A256 VanDerWaalsContact C-N 3.34Å; I254-A256 PolarHBondContact O-N 3.12Å; A256-F258 VanDerWaalsContact C-N 3.33Å; A256-F258 PolarHBondContact O-N 3.32Å; A256-L259 WeakPolarHBondContact O-CB 3.33Å; A256-L259 PolarHBondContact O-N 3Å; A256-F260 HydrophobicContact CB-CE2 4.28Å; A256-F260 HydrophobicContact CB-CZ 4.07Å; A256-F260 WeakPolarHBondContact O-CD1 3.11Å; A256-F260 WeakPolarHBondContact O-CG 3.39Å; A256-F260 PolarHBondContact O-N 2.97Å |
| 257 | C | 91.3 | Very high | 85.3 | Confident | 1 Ų | 1 | 13.9 Ų | 13.9 | 1% | 0.007 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -55 | -47.7 | 173.6 | -85.3 | 0 | 0 | 0 | 0 | 112 | I70 I219 I239 M253 I254 G255 L259 F260 D261 | I70-C257 HydrophobicContact CD1-CB 3.52Å; I219-C257 WeakPolarHBondContact CG2-SG 3.29Å; I239-C257 VanDerWaalsContact CG1-SG 3.52Å; M253-C257 PolarHBondContact O-N 3.44Å; I254-C257 WeakPolarHBondContact O-CB 3.44Å; I254-C257 PolarHBondContact O-N 3.44Å; G255-C257 VanDerWaalsContact C-N 3.35Å; G255-C257 PolarHBondContact O-N 2.81Å; C257-L259 VanDerWaalsContact C-N 3.33Å; C257-L259 PolarHBondContact O-N 3.32Å; C257-F260 PolarHBondContact O-N 3.1Å; C257-D261 PolarHBondContact O-N 2.9Å |
| 258 | F | 87.1 | Confident | 83 | Confident | 3 Ų | 3 | 16.1 Ų | 16.1 | 1% | 0.013 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62.5 | -42 | 178.2 | -64.2 | -61.7 | 0 | 0 | 0 | 111.6 | I70 Y89 I91 A102 L122 I124 I254 G255 A256 F260 D261 F262 | I70-F258 HydrophobicContact CD1-CZ 4.32Å; I70-F258 HydrophobicContact CG2-CE1 3.8Å; I70-F258 HydrophobicContact CG2-CZ 4.09Å; Y89-F258 HydrophobicContact CD1-CD1 4.46Å; Y89-F258 AromaticContact CD1-CE1 3.92Å; Y89-F258 HydrophobicContact CD1-CE1 3.92Å; Y89-F258 HydrophobicContact CD2-CD1 4.2Å; Y89-F258 AromaticContact CD2-CE1 3.63Å; Y89-F258 HydrophobicContact CD2-CE1 3.63Å; Y89-F258 HydrophobicContact CE1-CD1 4.39Å; Y89-F258 HydrophobicContact CE1-CE1 4.29Å; Y89-F258 HydrophobicContact CE2-CD1 4.14Å; Y89-F258 HydrophobicContact CE2-CE1 4.04Å; Y89-F258 HydrophobicContact CG-CD1 4.38Å; Y89-F258 AromaticContact CG-CE1 3.58Å; Y89-F258 HydrophobicContact CG-CE1 3.58Å; Y89-F258 HydrophobicContact CG-CZ 4.47Å; I91-F258 HydrophobicContact CD1-CZ 4.35Å; A102-F258 HydrophobicContact CB-CE1 4.4Å; A102-F258 HydrophobicContact CB-CE2 4.45Å; A102-F258 HydrophobicContact CB-CZ 3.76Å; L122-F258 HydrophobicContact CD1-CB 3.75Å; L122-F258 HydrophobicContact CD1-CD2 4.11Å; L122-F258 HydrophobicContact CD1-CG 3.95Å; L122-F258 HydrophobicContact CD2-CB 4.24Å; L122-F258 HydrophobicContact CD2-CD1 3.65Å; L122-F258 HydrophobicContact CD2-CD2 3.96Å; L122-F258 HydrophobicContact CD2-CE1 3.91Å; L122-F258 HydrophobicContact CD2-CE2 4.18Å; L122-F258 HydrophobicContact CD2-CG 3.69Å; L122-F258 HydrophobicContact CD2-CZ 4.17Å; L122-F258 HydrophobicContact CG-CG 4.46Å; I124-F258 HydrophobicContact CD1-CE2 4.03Å; I254-F258 HydrophobicContact CG2-CD2 4.19Å; I254-F258 HydrophobicContact CG2-CE2 3.49Å; I254-F258 VanDerWaalsContact CG2-CE2 3.49Å; I254-F258 HydrophobicContact CG2-CZ 4.3Å; I254-F258 WeakPolarHBondContact O-CD2 3.23Å; I254-F258 PolarHBondContact O-N 2.82Å; G255-F258 PolarHBondContact O-N 3.48Å; A256-F258 VanDerWaalsContact C-N 3.33Å; A256-F258 PolarHBondContact O-N 3.32Å; F258-F260 VanDerWaalsContact C-N 3.3Å; F258-F260 PolarHBondContact O-N 2.83Å; F258-D261 PolarHBondContact O-N 2.7Å; F258-F262 HydrophobicContact CB-CE2 4.18Å; F258-F262 WeakPolarHBondContact O-CD2 3.43Å; F258-F262 WeakPolarHBondContact O-CG 3.35Å; F258-F262 PolarHBondContact O-N 3.09Å; F258-F262 VanDerWaalsContact O-N 3.08Å |
| 259 | L | 85.9 | Confident | 80.3 | Confident | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -59.8 | -41.6 | 174.5 | 179.1 | 65.4 | 0 | 0 | 0 | 112 | Q151 L153 F177 G255 A256 C257 F262 M263 | Q151-L259 HydrophobicContact CB-CD1 4.21Å; Q151-L259 HydrophobicContact CB-CD2 4.2Å; Q151-L259 HydrophobicContact CG-CD1 4.34Å; L153-L259 HydrophobicContact CD1-CB 3.54Å; L153-L259 HydrophobicContact CD1-CD2 3.99Å; L153-L259 HydrophobicContact CD1-CG 4.28Å; L153-L259 HydrophobicContact CD2-CB 4.47Å; L153-L259 HydrophobicContact CD2-CD1 4.38Å; L153-L259 HydrophobicContact CG-CB 4.26Å; L153-L259 HydrophobicContact CG-CD2 4.09Å; F177-L259 HydrophobicContact CD1-CD2 4.1Å; F177-L259 HydrophobicContact CE1-CD2 3.79Å; G255-L259 PolarHBondContact O-N 2.95Å; G255-L259 VanDerWaalsContact O-N 3.11Å; A256-L259 WeakPolarHBondContact O-CB 3.33Å; A256-L259 PolarHBondContact O-N 3Å; C257-L259 VanDerWaalsContact C-N 3.33Å; C257-L259 PolarHBondContact O-N 3.32Å; L259-F262 PolarHBondContact O-N 3.11Å; L259-M263 HydrophobicContact CD1-CG 3.88Å; L259-M263 HydrophobicContact CD1-SD 3.69Å; L259-M263 HydrophobicContact CD2-SD 4.06Å; L259-M263 HydrophobicContact CG-CG 4.17Å; L259-M263 HydrophobicContact CG-SD 3.62Å; L259-M263 WeakPolarHBondContact O-CB 3.45Å; L259-M263 VanDerWaalsContact O-CG 3.25Å; L259-M263 WeakPolarHBondContact O-CG 3.41Å; L259-M263 PolarHBondContact O-N 3.39Å |
| 260 | F | 85.9 | Confident | 77.3 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67.3 | -39.3 | 179 | -60 | -16.1 | 0 | 0 | 0 | 111.9 | F177 I190 F205 I219 F237 A256 C257 F258 F262 M263 F264 F265 | F177-F260 HydrophobicContact CD1-CE1 4.1Å; F177-F260 AromaticContact CD2-CE1 3.5Å; F177-F260 HydrophobicContact CD2-CE1 3.5Å; F177-F260 VanDerWaalsContact CD2-CE1 3.5Å; F177-F260 AromaticContact CD2-CZ 3.82Å; F177-F260 HydrophobicContact CD2-CZ 3.82Å; F177-F260 AromaticContact CE1-CE1 3.98Å; F177-F260 HydrophobicContact CE1-CE1 3.98Å; F177-F260 HydrophobicContact CE2-CD1 4.08Å; F177-F260 AromaticContact CE2-CE1 3.36Å; F177-F260 HydrophobicContact CE2-CE1 3.36Å; F177-F260 HydrophobicContact CE2-CZ 4.06Å; F177-F260 AromaticContact CG-CE1 3.88Å; F177-F260 HydrophobicContact CG-CE1 3.88Å; F177-F260 HydrophobicContact CG-CZ 4.26Å; F177-F260 HydrophobicContact CZ-CD1 4.08Å; F177-F260 AromaticContact CZ-CE1 3.63Å; F177-F260 HydrophobicContact CZ-CE1 3.63Å; I190-F260 HydrophobicContact CB-CZ 4.4Å; I190-F260 HydrophobicContact CD1-CZ 4.11Å; I190-F260 HydrophobicContact CG2-CE2 3.93Å; I190-F260 HydrophobicContact CG2-CZ 3.75Å; F205-F260 HydrophobicContact CB-CE2 4.01Å; F205-F260 AromaticContact CD1-CD2 3.98Å; F205-F260 HydrophobicContact CD1-CD2 3.98Å; F205-F260 AromaticContact CD1-CE2 3.73Å; F205-F260 HydrophobicContact CD1-CE2 3.73Å; F205-F260 HydrophobicContact CD1-CG 4.49Å; F205-F260 HydrophobicContact CD1-CZ 4.05Å; F205-F260 AromaticContact CD2-CD2 3.9Å; F205-F260 HydrophobicContact CD2-CD2 3.9Å; F205-F260 HydrophobicContact CD2-CE2 4.2Å; F205-F260 HydrophobicContact CE1-CD1 4.4Å; F205-F260 HydrophobicContact CE1-CD2 4.11Å; F205-F260 HydrophobicContact CE1-CE2 4.24Å; F205-F260 HydrophobicContact CE1-CG 4.2Å; F205-F260 HydrophobicContact CE1-CZ 4.46Å; F205-F260 HydrophobicContact CE2-CB 4.46Å; F205-F260 HydrophobicContact CE2-CD2 4.03Å; F205-F260 HydrophobicContact CE2-CG 4.38Å; F205-F260 AromaticContact CG-CD2 3.89Å; F205-F260 HydrophobicContact CG-CD2 3.89Å; F205-F260 AromaticContact CG-CE2 3.73Å; F205-F260 HydrophobicContact CG-CE2 3.73Å; F205-F260 HydrophobicContact CG-CZ 4.47Å; F205-F260 HydrophobicContact CZ-CB 4.33Å; F205-F260 HydrophobicContact CZ-CD2 4.14Å; F205-F260 HydrophobicContact CZ-CG 4.15Å; I219-F260 HydrophobicContact CB-CE2 4.49Å; I219-F260 HydrophobicContact CD1-CE2 3.9Å; I219-F260 HydrophobicContact CG2-CD2 4.07Å; I219-F260 HydrophobicContact CG2-CE2 4.28Å; F237-F260 HydrophobicContact CE1-CB 4.42Å; A256-F260 HydrophobicContact CB-CE2 4.28Å; A256-F260 HydrophobicContact CB-CZ 4.07Å; A256-F260 WeakPolarHBondContact O-CD1 3.11Å; A256-F260 WeakPolarHBondContact O-CG 3.39Å; A256-F260 PolarHBondContact O-N 2.97Å; C257-F260 PolarHBondContact O-N 3.1Å; F258-F260 VanDerWaalsContact C-N 3.3Å; F258-F260 PolarHBondContact O-N 2.83Å; F260-F262 VanDerWaalsContact C-N 3.34Å; F260-F262 PolarHBondContact O-N 3.39Å; F260-M263 PolarHBondContact O-N 3.22Å; F260-F264 HydrophobicContact CB-CD2 4.14Å; F260-F264 HydrophobicContact CD1-CE2 4.12Å; F260-F264 WeakPolarHBondContact O-CB 3.44Å; F260-F264 WeakPolarHBondContact O-CD2 3.09Å; F260-F264 PolarHBondContact O-N 2.61Å; F260-F265 VanDerWaalsContact O-CD2 3.3Å; F260-F265 WeakPolarHBondContact O-CD2 3.48Å |
| 261 | D | 79.7 | Confident | 74.1 | Confident | 5 Ų | 5 | 26.2 Ų | 26.2 | 3% | 0.027 | 16% | 0.164 | C | C | . | . | I | π-helix | trans | -55.5 | -49.6 | 172.6 | -161.6 | 45.3 | 0 | 0 | 0 | 111.5 | Y89 K221 F237 C257 F258 F265 E266 | Y89-D261 PolarHBondContact OH-OD2 2.74Å; Y89-D261 VanDerWaalsContact OH-OD2 3.1Å; K221-D261 IonicContact NZ-OD1 2.75Å; K221-D261 PolarHBondContact NZ-OD1 2.75Å; F237-D261 HydrophobicContact CE2-CB 3.7Å; F237-D261 VanDerWaalsContact CE2-OD1 3.27Å; F237-D261 WeakPolarHBondContact CE2-OD1 2.77Å; F237-D261 HydrophobicContact CZ-CB 3.69Å; C257-D261 PolarHBondContact O-N 2.9Å; F258-D261 PolarHBondContact O-N 2.7Å; D261-F265 CarbonylContact O-C 3.59Å; D261-F265 WeakPolarHBondContact O-CA 3.4Å; D261-F265 PolarHBondContact O-N 3.43Å; D261-E266 PolarHBondContact O-N 3.33Å |
| 262 | F | 75.2 | Confident | 70.9 | Confident | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.009 | 22% | 0.22 | C | C | . | . | I | π-helix | trans | -66 | -41.3 | 177.4 | -58.8 | -40.4 | 0 | 0 | 0 | 114.1 | E104 L122 F258 L259 F260 E266 | E104-F262 HydrophobicContact CG-CZ 4.09Å; E104-F262 WeakPolarHBondContact OE2-CE1 3.45Å; E104-F262 WeakPolarHBondContact OE2-CZ 3.28Å; L122-F262 HydrophobicContact CD1-CE2 4.07Å; F258-F262 HydrophobicContact CB-CE2 4.18Å; F258-F262 WeakPolarHBondContact O-CD2 3.43Å; F258-F262 WeakPolarHBondContact O-CG 3.35Å; F258-F262 PolarHBondContact O-N 3.09Å; F258-F262 VanDerWaalsContact O-N 3.08Å; L259-F262 PolarHBondContact O-N 3.11Å; F260-F262 VanDerWaalsContact C-N 3.34Å; F260-F262 PolarHBondContact O-N 3.39Å; F262-E266 HydrophobicContact CD1-CG 4.04Å |
| 263 | M | 75.4 | Confident | 69.6 | Low | 13 Ų | 13 | 38.8 Ų | 38.8 | 6% | 0.064 | 23% | 0.231 | C | C | . | . | I | π-helix | trans | -76 | -37.3 | -174.4 | -74.2 | -178 | 74.4 | 0 | 0 | 113.3 | N142 Q151 F177 L259 F260 | N142-M263 WeakPolarHBondContact OD1-CE 3.48Å; Q151-M263 HydrophobicContact CB-SD 4.36Å; Q151-M263 HydrophobicContact CG-CE 3.88Å; Q151-M263 HydrophobicContact CG-SD 3.8Å; F177-M263 HydrophobicContact CE1-CE 4.34Å; F177-M263 HydrophobicContact CE1-SD 3.87Å; F177-M263 HydrophobicContact CZ-CE 4.08Å; F177-M263 HydrophobicContact CZ-SD 3.84Å; L259-M263 HydrophobicContact CD1-CG 3.88Å; L259-M263 HydrophobicContact CD1-SD 3.69Å; L259-M263 HydrophobicContact CD2-SD 4.06Å; L259-M263 HydrophobicContact CG-CG 4.17Å; L259-M263 HydrophobicContact CG-SD 3.62Å; L259-M263 WeakPolarHBondContact O-CB 3.45Å; L259-M263 VanDerWaalsContact O-CG 3.25Å; L259-M263 WeakPolarHBondContact O-CG 3.41Å; L259-M263 PolarHBondContact O-N 3.39Å; F260-M263 PolarHBondContact O-N 3.22Å |
| 264 | F | 73.2 | Confident | 68.1 | Low | 82 Ų | 82 | 40.8 Ų | 40.8 | 36% | 0.36 | 24% | 0.243 | S | C | . | . | I | π-helix | trans | -117.5 | -18.7 | -166.8 | -57.7 | -67.4 | 0 | 0 | 0 | 114.2 | P175 F177 F205 F260 | P175-F264 HydrophobicContact CB-CE1 4.46Å; P175-F264 HydrophobicContact CB-CZ 3.82Å; P175-F264 HydrophobicContact CG-CZ 4.34Å; F177-F264 HydrophobicContact CE2-CE2 4.4Å; F177-F264 HydrophobicContact CZ-CE2 4.24Å; F177-F264 HydrophobicContact CZ-CZ 4.34Å; F205-F264 HydrophobicContact CE1-CD2 4.25Å; F205-F264 AromaticContact CE1-CE2 3.85Å; F205-F264 HydrophobicContact CE1-CE2 3.85Å; F205-F264 AromaticContact CZ-CD2 3.79Å; F205-F264 HydrophobicContact CZ-CD2 3.79Å; F205-F264 AromaticContact CZ-CE2 3.89Å; F205-F264 HydrophobicContact CZ-CE2 3.89Å; F260-F264 HydrophobicContact CB-CD2 4.14Å; F260-F264 HydrophobicContact CD1-CE2 4.12Å; F260-F264 WeakPolarHBondContact O-CB 3.44Å; F260-F264 WeakPolarHBondContact O-CD2 3.09Å; F260-F264 PolarHBondContact O-N 2.61Å |
| 265 | F | 69.8 | Low | 66.6 | Low | 13 Ų | 13 | 43.1 Ų | 43.1 | 6% | 0.057 | 26% | 0.257 | C | S | . | . | I | π-helix | trans | -131.2 | -10.6 | -166.3 | -53.5 | -72.9 | 0 | 0 | 0 | 116 | V203 F205 K221 W223 F237 F260 D261 H267 S268 | V203-F265 HydrophobicContact CB-CE1 4.42Å; V203-F265 HydrophobicContact CB-CZ 3.89Å; V203-F265 HydrophobicContact CG1-CZ 4.02Å; V203-F265 HydrophobicContact CG2-CE1 3.88Å; V203-F265 HydrophobicContact CG2-CZ 3.85Å; F205-F265 HydrophobicContact CE2-CE2 4.42Å; K221-F265 HydrophobicContact CB-CE2 4.25Å; K221-F265 HydrophobicContact CB-CZ 4.06Å; K221-F265 HydrophobicContact CD-CB 4.15Å; K221-F265 HydrophobicContact CD-CD1 3.28Å; K221-F265 HydrophobicContact CD-CD2 3.46Å; K221-F265 VanDerWaalsContact CD-CD2 3.46Å; K221-F265 HydrophobicContact CD-CE1 3.33Å; K221-F265 HydrophobicContact CD-CE2 3.5Å; K221-F265 VanDerWaalsContact CD-CE2 3.5Å; K221-F265 HydrophobicContact CD-CG 3.34Å; K221-F265 HydrophobicContact CD-CZ 3.42Å; K221-F265 VanDerWaalsContact CD-CZ 3.42Å; K221-F265 VanDerWaalsContact CE-CD1 3.49Å; K221-F265 VanDerWaalsContact CE-CG 3.41Å; K221-F265 HydrophobicContact CG-CE2 4.47Å; K221-F265 HydrophobicContact CG-CZ 4.37Å; W223-F265 HydrophobicContact CZ2-CD1 4.39Å; W223-F265 HydrophobicContact CZ2-CE1 4.49Å; F237-F265 HydrophobicContact CE1-CD2 4.27Å; F237-F265 HydrophobicContact CE1-CE2 4.07Å; F237-F265 AromaticContact CZ-CD2 3.8Å; F237-F265 HydrophobicContact CZ-CD2 3.8Å; F237-F265 HydrophobicContact CZ-CE2 4.07Å; F260-F265 VanDerWaalsContact O-CD2 3.3Å; F260-F265 WeakPolarHBondContact O-CD2 3.48Å; D261-F265 CarbonylContact O-C 3.59Å; D261-F265 WeakPolarHBondContact O-CA 3.4Å; D261-F265 PolarHBondContact O-N 3.43Å; F265-H267 PolarHBondContact O-N 3.15Å; F265-H267 VanDerWaalsContact O-N 3.11Å; F265-S268 PolarHBondContact O-N 3.09Å; F265-S268 VanDerWaalsContact O-N 3.12Å; F265-S268 PolarHBondContact O-OG 3.43Å |
| 266 | E | 61.5 | Low | 65 | Low | 21 Ų | 21 | 45.6 Ų | 45.6 | 10% | 0.098 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -22.4 | 174.7 | -95.9 | -164.6 | 149 | 0 | 0 | 113.7 | R118 D261 F262 | R118-E266 IonicContact CZ-OE1 3.69Å; R118-E266 IonicContact NE-OE1 2.7Å; R118-E266 IonicContact NE-OE2 3.34Å; R118-E266 IonicContact NH2-OE1 2.93Å; R118-E266 PolarHBondContact NH2-OE1 3.24Å; R118-E266 IonicContact NH2-OE2 2.98Å; D261-E266 PolarHBondContact O-N 3.33Å; F262-E266 HydrophobicContact CD1-CG 4.04Å |
| 267 | H | 47.7 | Very low | 63.2 | Low | 113 Ų | 113 | 48.5 Ų | 48.5 | 52% | 0.523 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -17.6 | 178 | -68.1 | -61.3 | 0 | 0 | 0 | 114.5 | T116 F265 | T116-H267 VanDerWaalsContact CG2-NE2 3.33Å; T116-H267 WeakPolarHBondContact CG2-NE2 3.09Å; F265-H267 PolarHBondContact O-N 3.15Å; F265-H267 VanDerWaalsContact O-N 3.11Å |
| 268 | S | 46.8 | Very low | 61.3 | Low | 53 Ų | 53 | 51.7 Ų | 51.7 | 37% | 0.371 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -77 | -18.5 | -178.4 | 30.5 | 0 | 0 | 0 | 0 | 114.2 | F265 A270 | F265-S268 PolarHBondContact O-N 3.09Å; F265-S268 VanDerWaalsContact O-N 3.12Å; F265-S268 PolarHBondContact O-OG 3.43Å; S268-A270 VanDerWaalsContact C-N 3.33Å |
| 269 | L | 39.7 | Very low | 59.4 | Low | 81 Ų | 81 | 55.1 Ų | 55.1 | 42% | 0.424 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -81.5 | -10.1 | 176.1 | -73.8 | 164.3 | 0 | 0 | 0 | 113.6 | G271 | L269-G271 VanDerWaalsContact C-N 3.29Š|
| 270 | A | 32.9 | Very low | 57.4 | Low | 91 Ų | 91 | 59.3 Ų | 59.3 | 75% | 0.752 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -87.4 | 4.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | S268 | S268-A270 VanDerWaalsContact C-N 3.33Š|
| 271 | G | 30 | Very low | 55 | Low | 70 Ų | 70 | 64.3 Ų | 64.3 | 72% | 0.722 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -114.2 | 16.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | L269 | L269-G271 VanDerWaalsContact C-N 3.29Š|
| 272 | L | 28.3 | Very low | 52.8 | Low | 227 Ų | 227 | 69.6 Ų | 69.6 | 100% | 1.188 | 42% | 0.415 | S | S | * | . | trans | -105.3 | 0 | 169.9 | -95.1 | 157.1 | 0 | 0 | 0 | 110.5 |
Retrieved 272 of 272 residues in 46.7 ms
(Link to these results)