| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 44 | Very low | 60.8 | Low | 228 Ų | 228 | 151.6 Ų | 151.6 | 100% | 1.123 | 81% | 0.806 | S | S | * | * | 0 | 95.8 | 0 | -72.7 | 173.3 | 109 | 0 | 0 | 105.9 | |||||
| 2 | T | 52.1 | Low | 60.8 | Low | 125 Ų | 125 | 151.7 Ų | 151.7 | 77% | 0.767 | 80% | 0.798 | S | S | * | * | 75.1 | 126.7 | 110.8 | 56 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 3 | T | 55 | Low | 59.8 | Low | 115 Ų | 115 | 153.6 Ų | 153.6 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | cis | 178.1 | 170.6 | 0.7 | 32.2 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 4 | L | 64 | Low | 59 | Low | 151 Ų | 151 | 148.1 Ų | 148.1 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | trans | 82.4 | 107.1 | 172.7 | -69.5 | 77.5 | 0 | 0 | 0 | 114.3 | ||||
| 5 | D | 55.5 | Low | 58.5 | Low | 141 Ų | 141 | 145.6 Ų | 145.6 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | cis | 53.6 | 91 | 28.9 | -98.3 | 8.1 | 0 | 0 | 0 | 113.4 | ||||
| 6 | N | 68.8 | Low | 58 | Low | 148 Ų | 148 | 146.9 Ų | 146.9 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | trans | -149.5 | 105.8 | 147.5 | -111.3 | 31.8 | 0 | 0 | 0 | 109.5 | ||||
| 7 | I | 56 | Low | 57.7 | Low | 136 Ų | 136 | 148.3 Ų | 148.3 | 70% | 0.697 | 80% | 0.803 | S | S | * | * | trans | -85.3 | 116 | 169.3 | -79.5 | 153.9 | 0 | 0 | 0 | 106.6 | ||||
| 8 | D | 67.4 | Low | 57.4 | Low | 143 Ų | 143 | 149.3 Ų | 149.3 | 77% | 0.765 | 81% | 0.807 | S | S | * | * | trans | -123.3 | 91.4 | 160.6 | -80.3 | -34.4 | 0 | 0 | 0 | 104.8 | ||||
| 9 | Q | 63 | Low | 57.2 | Low | 173 Ų | 173 | 147.6 Ų | 147.6 | 81% | 0.808 | 80% | 0.802 | S | S | * | * | 47.2 | 84.5 | 92.7 | -77.2 | -167.4 | -6.7 | 0 | 0 | 114.2 | |||||
| 10 | E | 71.6 | Confident | 56.7 | Low | 182 Ų | 182 | 148.4 Ų | 148.4 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | trans | -74 | 136.6 | 152.6 | -67.1 | -125.5 | 153.2 | 0 | 0 | 109.5 | E12 | E10-E12 PolarHBondContact O-N 3.28Š| ||
| 11 | P | 70.9 | Confident | 56.5 | Low | 126 Ų | 126 | 146.3 Ų | 146.3 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -78.8 | 115.4 | 172.1 | 30.1 | -29.9 | 0 | 0 | 0 | 110.8 | ||||
| 12 | E | 61.3 | Low | 56.4 | Low | 152 Ų | 152 | 143.4 Ų | 143.4 | 71% | 0.71 | 79% | 0.785 | S | S | * | * | trans | -55.2 | 146.5 | 161.2 | -72.1 | -78.4 | 178.8 | 0 | 0 | 113.1 | E10 | E10-E12 PolarHBondContact O-N 3.28Š| ||
| 13 | H | 48.4 | Very low | 56.4 | Low | 177 Ų | 177 | 145.3 Ų | 145.3 | 82% | 0.819 | 79% | 0.79 | S | S | * | * | trans | 75.6 | 110 | 144.7 | -70.3 | 12.8 | 0 | 0 | 0 | 119.6 | ||||
| 14 | G | 48.1 | Very low | 56.4 | Low | 76 Ų | 76 | 147.9 Ų | 147.9 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | trans | -159.7 | 88 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 15 | S | 50.9 | Low | 55.4 | Low | 111 Ų | 111 | 148.8 Ų | 148.8 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | -45.3 | 123.8 | 177.3 | 50.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 16 | D | 51.2 | Low | 54.9 | Low | 167 Ų | 167 | 149.5 Ų | 149.5 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | trans | -129 | 63.7 | 152.1 | -86.8 | -23 | 0 | 0 | 0 | 108.4 | L18 | D16-L18 PolarHBondContact O-N 3.41Š| ||
| 17 | E | 52.8 | Low | 53.8 | Low | 170 Ų | 170 | 152.2 Ų | 152.2 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | -81.4 | 106.2 | 160.9 | -172.4 | 174.6 | -175.7 | 0 | 0 | 106.8 | V19 | E17-V19 PolarHBondContact O-N 3.48Š| ||
| 18 | L | 52 | Low | 53.5 | Low | 167 Ų | 167 | 151.8 Ų | 151.8 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | trans | -67.4 | 90.1 | 169.8 | -84.9 | 166.5 | 0 | 0 | 0 | 108.5 | D16 L20 | D16-L18 PolarHBondContact O-N 3.41Å; L18-L20 PolarHBondContact O-N 3.2Å | ||
| 19 | V | 53.7 | Low | 52.3 | Low | 117 Ų | 117 | 150.1 Ų | 150.1 | 71% | 0.709 | 80% | 0.804 | S | S | * | * | trans | -54.5 | 115.7 | 170.6 | 176.9 | 0 | 0 | 0 | 0 | 108.8 | E17 S21 | E17-V19 PolarHBondContact O-N 3.48Å; V19-S21 PolarHBondContact O-N 3.47Å | ||
| 20 | L | 47.1 | Very low | 51.4 | Low | 162 Ų | 162 | 149 Ų | 149 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | trans | -57.5 | 109.3 | 161.7 | -79.1 | 106.7 | 0 | 0 | 0 | 107.8 | L18 E22 | L18-L20 PolarHBondContact O-N 3.2Å; L20-E22 PolarHBondContact O-N 3Å; L20-E22 VanDerWaalsContact O-N 3.13Å | ||
| 21 | S | 51.7 | Low | 50 | Low | 105 Ų | 105 | 147.4 Ų | 147.4 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | trans | -68 | 111.7 | 170.2 | 45.9 | 0 | 0 | 0 | 0 | 109.3 | V19 N23 | V19-S21 PolarHBondContact O-N 3.47Å; S21-N23 PolarHBondContact O-N 2.92Å | ||
| 22 | E | 43.9 | Very low | 48.7 | Very low | 168 Ų | 168 | 149.1 Ų | 149.1 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | -53.7 | 114.5 | 166.5 | -69.5 | 173.3 | 135.4 | 0 | 0 | 110 | L20 K24 | L20-E22 PolarHBondContact O-N 3Å; L20-E22 VanDerWaalsContact O-N 3.13Å; E22-K24 VanDerWaalsContact C-N 3.33Å; E22-K24 PolarHBondContact O-N 3.06Å | ||
| 23 | N | 52 | Low | 48 | Very low | 165 Ų | 165 | 146.7 Ų | 146.7 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | trans | -70.5 | 96.5 | 161.4 | -77.9 | -34.7 | 0 | 0 | 0 | 108 | S21 E25 | S21-N23 PolarHBondContact O-N 2.92Å; N23-E25 PolarHBondContact O-N 3.07Å | ||
| 24 | K | 54.7 | Low | 47.7 | Very low | 168 Ų | 168 | 145.3 Ų | 145.3 | 73% | 0.73 | 79% | 0.791 | S | S | * | * | trans | -60.1 | 124.6 | 167.3 | -79.3 | 176.8 | 175.2 | 173 | 0 | 110.4 | E22 | E22-K24 VanDerWaalsContact C-N 3.33Å; E22-K24 PolarHBondContact O-N 3.06Å | ||
| 25 | E | 43.1 | Very low | 47.5 | Very low | 170 Ų | 170 | 146.2 Ų | 146.2 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | trans | 39.1 | 94.9 | 133.4 | -60.3 | -178 | 156.6 | 0 | 0 | 116.4 | N23 | N23-E25 PolarHBondContact O-N 3.07Š| ||
| 26 | N | 44.1 | Very low | 47.6 | Very low | 157 Ų | 157 | 150.6 Ų | 150.6 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | trans | -129.1 | 86.3 | 142.2 | -82.8 | -33 | 0 | 0 | 0 | 107.3 | T28 | N26-T28 PolarHBondContact O-N 3.11Š| ||
| 27 | K | 46.5 | Very low | 47.6 | Very low | 204 Ų | 204 | 147.8 Ų | 147.8 | 89% | 0.887 | 78% | 0.776 | S | S | * | * | trans | -91.4 | 80.9 | 167.3 | -159.1 | 174.1 | -171.7 | 178.8 | 0 | 106.7 | S29 | K27-S29 PolarHBondContact O-N 2.81Š| ||
| 28 | T | 49 | Very low | 47.7 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | trans | -82.2 | 95.1 | 169.5 | 52.4 | 0 | 0 | 0 | 0 | 107.9 | N26 | N26-T28 PolarHBondContact O-N 3.11Š| ||
| 29 | S | 42.7 | Very low | 47.7 | Very low | 109 Ų | 109 | 143.3 Ų | 143.3 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | trans | -68.6 | 116 | 152.1 | 51.8 | 0 | 0 | 0 | 0 | 107.8 | K27 | K27-S29 PolarHBondContact O-N 2.81Š| ||
| 30 | D | 43.8 | Very low | 47.6 | Very low | 148 Ų | 148 | 142 Ų | 142 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | -168.1 | 150.3 | 125.7 | -136.1 | -22.3 | 0 | 0 | 0 | 111.1 | |||||
| 31 | N | 42.8 | Very low | 48 | Very low | 149 Ų | 149 | 140.6 Ų | 140.6 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | trans | -67.1 | 127.3 | -174.3 | -59.3 | -80.4 | 0 | 0 | 0 | 112.5 | ||||
| 32 | H | 42.1 | Very low | 48.6 | Very low | 163 Ų | 163 | 137.7 Ų | 137.7 | 76% | 0.755 | 73% | 0.728 | S | S | * | * | trans | -159.4 | 98.4 | 153 | -152 | 65.4 | 0 | 0 | 0 | 108.6 | ||||
| 33 | V | 46.8 | Very low | 50.2 | Low | 101 Ų | 101 | 135.3 Ų | 135.3 | 61% | 0.612 | 72% | 0.717 | S | S | * | * | 54.6 | 102.1 | 99 | -174.3 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 34 | D | 42.4 | Very low | 51.6 | Low | 148 Ų | 148 | 134.3 Ų | 134.3 | 79% | 0.791 | 71% | 0.709 | S | S | * | * | trans | 26.3 | 100.4 | 149.5 | -55.4 | -27.3 | 0 | 0 | 0 | 118.1 | ||||
| 35 | N | 44.6 | Very low | 53 | Low | 95 Ų | 95 | 136.1 Ų | 136.1 | 51% | 0.508 | 71% | 0.711 | S | S | . | * | trans | -155.1 | 68.8 | 159.1 | -98.6 | -30.2 | 0 | 0 | 0 | 111.9 | T37 | N35-T37 VanDerWaalsContact C-N 3.31Š| ||
| 36 | E | 52 | Low | 55 | Low | 202 Ų | 202 | 132.6 Ų | 132.6 | 94% | 0.944 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -79.6 | -2.4 | 173.5 | -84.8 | -100.9 | 145.2 | 0 | 0 | 113.7 | ||
| 37 | T | 52.4 | Low | 57.1 | Low | 109 Ų | 109 | 130.6 Ų | 130.6 | 67% | 0.669 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -116.7 | -11.3 | -175.5 | 52.9 | 0 | 0 | 0 | 0 | 115.5 | N35 | N35-T37 VanDerWaalsContact C-N 3.31Š|
| 38 | D | 53.9 | Low | 59.4 | Low | 102 Ų | 102 | 123.6 Ų | 123.6 | 55% | 0.545 | 66% | 0.663 | S | S | . | * | S | Bend | trans | -105 | -9.5 | -171.3 | -75.3 | 0.1 | 0 | 0 | 0 | 114.8 | S40 | D38-S40 VanDerWaalsContact C-N 3.34Š|
| 39 | Q | 52.6 | Low | 61.4 | Low | 140 Ų | 140 | 122.4 Ų | 122.4 | 65% | 0.654 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -16.4 | 175.4 | -64.7 | -174.5 | 5 | 0 | 0 | 113.4 | I41 H43 | Q39-I41 VanDerWaalsContact C-N 3.31Å; Q39-I41 PolarHBondContact O-N 3.45Å; Q39-H43 PolarHBondContact O-CD2 3.28Å; Q39-H43 PolarHBondContact O-NE2 3.05Å |
| 40 | S | 51.9 | Low | 63.7 | Low | 91 Ų | 91 | 125.6 Ų | 125.6 | 64% | 0.636 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -68.2 | -27.2 | -178 | -166.1 | 0 | 0 | 0 | 0 | 113.7 | D38 | D38-S40 VanDerWaalsContact C-N 3.34Å |
| 41 | I | 55.8 | Low | 66 | Low | 131 Ų | 131 | 126.5 Ų | 126.5 | 67% | 0.672 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -85.1 | -17.6 | -167 | -58 | 161.7 | 0 | 0 | 0 | 112.3 | Q39 | Q39-I41 VanDerWaalsContact C-N 3.31Å; Q39-I41 PolarHBondContact O-N 3.45Å |
| 42 | G | 63.8 | Low | 68.5 | Low | 44 Ų | 44 | 126.6 Ų | 126.6 | 45% | 0.454 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -87.6 | -36.5 | 179 | 0 | 0 | 0 | 0 | 0 | 115.2 | M44 R45 | G42-M44 VanDerWaalsContact C-N 3.31Å; G42-M44 PolarHBondContact O-N 2.78Å; G42-R45 PolarHBondContact O-N 3.47Å |
| 43 | H | 77.7 | Confident | 71 | Confident | 119 Ų | 119 | 124.6 Ų | 124.6 | 55% | 0.551 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -70.4 | -22.5 | -172.6 | -62.1 | -52.1 | 0 | 0 | 0 | 114.5 | Q39 R45 E47 | Q39-H43 PolarHBondContact O-CD2 3.28Å; Q39-H43 PolarHBondContact O-NE2 3.05Å; H43-R45 VanDerWaalsContact C-N 3.33Å; H43-R45 PolarHBondContact O-N 2.98Å; H43-E47 WeakPolarHBondContact O-CB 3.43Å; H43-E47 PolarHBondContact O-N 2.91Å |
| 44 | M | 80.4 | Confident | 73.2 | Confident | 144 Ų | 144 | 128.5 Ų | 128.5 | 71% | 0.709 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -65.8 | -36.6 | -179.7 | -165.6 | -171.3 | -44.8 | 0 | 0 | 112.3 | G42 A48 | G42-M44 VanDerWaalsContact C-N 3.31Å; G42-M44 PolarHBondContact O-N 2.78Å; M44-A48 WeakPolarHBondContact O-CB 3.35Å; M44-A48 PolarHBondContact O-N 2.92Å |
| 45 | R | 84.5 | Confident | 75.7 | Confident | 206 Ų | 206 | 125.2 Ų | 125.2 | 78% | 0.777 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -71.6 | -43.1 | -178.3 | -147.1 | -178.1 | -166.1 | 116.8 | -1.2 | 110.8 | G42 H43 A48 L49 | G42-R45 PolarHBondContact O-N 3.47Å; H43-R45 VanDerWaalsContact C-N 3.33Å; H43-R45 PolarHBondContact O-N 2.98Å; R45-A48 PolarHBondContact O-N 3.25Å; R45-L49 WeakPolarHBondContact O-CG 3.35Å; R45-L49 PolarHBondContact O-N 2.85Å |
| 46 | D | 85.2 | Confident | 78 | Confident | 96 Ų | 96 | 127.2 Ų | 127.2 | 51% | 0.513 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -66.6 | -42.3 | 177.3 | -70 | -19.9 | 0 | 0 | 0 | 111.9 | A48 L49 R50 | D46-A48 PolarHBondContact O-N 3.08Å; D46-L49 PolarHBondContact O-N 3.31Å; D46-R50 PolarHBondContact O-N 3.24Å |
| 47 | E | 89.2 | Confident | 79.9 | Confident | 115 Ų | 115 | 122.7 Ų | 122.7 | 54% | 0.537 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66.1 | -37.6 | 176 | -170.8 | 56.3 | -146.3 | 0 | 0 | 111.8 | H43 L49 R50 R51 | H43-E47 WeakPolarHBondContact O-CB 3.43Å; H43-E47 PolarHBondContact O-N 2.91Å; E47-L49 VanDerWaalsContact C-N 3.34Å; E47-L49 PolarHBondContact O-N 2.99Å; E47-R50 PolarHBondContact O-N 3.42Å; E47-R51 WeakPolarHBondContact O-CB 3.41Å; E47-R51 PolarHBondContact O-N 2.75Å |
| 48 | A | 93.1 | Very high | 81.6 | Confident | 56 Ų | 56 | 121.4 Ų | 121.4 | 46% | 0.463 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -63.8 | -37.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | M44 R45 D46 K52 | M44-A48 WeakPolarHBondContact O-CB 3.35Å; M44-A48 PolarHBondContact O-N 2.92Å; R45-A48 PolarHBondContact O-N 3.25Å; D46-A48 PolarHBondContact O-N 3.08Å; A48-K52 WeakPolarHBondContact O-CB 3.38Å; A48-K52 PolarHBondContact O-N 3.18Å |
| 49 | L | 92 | Very high | 83.3 | Confident | 102 Ų | 102 | 125.7 Ų | 125.7 | 53% | 0.534 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67 | -45.8 | 175 | -72.5 | 174.2 | 0 | 0 | 0 | 111.7 | R45 D46 E47 R51 K52 E53 | R45-L49 WeakPolarHBondContact O-CG 3.35Å; R45-L49 PolarHBondContact O-N 2.85Å; D46-L49 PolarHBondContact O-N 3.31Å; E47-L49 VanDerWaalsContact C-N 3.34Å; E47-L49 PolarHBondContact O-N 2.99Å; L49-R51 VanDerWaalsContact C-N 3.33Å; L49-R51 PolarHBondContact O-N 2.67Å; L49-K52 WeakPolarHBondContact O-CB 3.36Å; L49-K52 PolarHBondContact O-N 3.01Å; L49-K52 VanDerWaalsContact O-N 3.17Å; L49-E53 PolarHBondContact O-N 3.11Å |
| 50 | R | 90.9 | Very high | 84.9 | Confident | 176 Ų | 176 | 124.6 Ų | 124.6 | 66% | 0.664 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -57.8 | -43.3 | 173.8 | -74.5 | 178.8 | 171.4 | 174.6 | -1.3 | 112.1 | D46 E47 E53 R54 | D46-R50 PolarHBondContact O-N 3.24Å; E47-R50 PolarHBondContact O-N 3.42Å; R50-E53 PolarHBondContact O-N 3.32Å; R50-R54 WeakPolarHBondContact O-CB 3.39Å; R50-R54 PolarHBondContact O-N 2.89Å |
| 51 | R | 92.2 | Very high | 86.6 | Confident | 167 Ų | 167 | 127.1 Ų | 127.1 | 63% | 0.63 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -63.6 | -43.3 | 175.1 | -175.3 | 178.7 | 179.9 | 87.2 | -1.2 | 112 | E47 L49 E53 R54 L55 | E47-R51 WeakPolarHBondContact O-CB 3.41Å; E47-R51 PolarHBondContact O-N 2.75Å; L49-R51 VanDerWaalsContact C-N 3.33Å; L49-R51 PolarHBondContact O-N 2.67Å; R51-E53 VanDerWaalsContact C-N 3.33Å; R51-E53 PolarHBondContact O-N 3.11Å; R51-R54 PolarHBondContact O-N 3.36Å; R51-L55 HydrophobicContact CG-CD1 3.99Å; R51-L55 HydrophobicContact CG-CG 4.41Å; R51-L55 WeakPolarHBondContact O-CB 2.84Å; R51-L55 WeakPolarHBondContact O-CG 3.16Å; R51-L55 PolarHBondContact O-N 2.91Å |
| 52 | K | 96.2 | Very high | 87.9 | Confident | 152 Ų | 152 | 125.2 Ų | 125.2 | 66% | 0.661 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -60.6 | -43.4 | 177.7 | -178.1 | -178.8 | 178 | -178 | 0 | 111.1 | A48 L49 L55 K56 | A48-K52 WeakPolarHBondContact O-CB 3.38Å; A48-K52 PolarHBondContact O-N 3.18Å; L49-K52 WeakPolarHBondContact O-CB 3.36Å; L49-K52 PolarHBondContact O-N 3.01Å; L49-K52 VanDerWaalsContact O-N 3.17Å; K52-L55 PolarHBondContact O-N 2.91Å; K52-K56 WeakPolarHBondContact O-CB 3.49Å; K52-K56 PolarHBondContact O-N 3.07Å |
| 53 | E | 93.2 | Very high | 88.6 | Confident | 121 Ų | 121 | 126 Ų | 126 | 57% | 0.565 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -66.5 | -46.8 | 177.2 | -171.5 | 170.6 | -162.2 | 0 | 0 | 112 | L49 R50 R51 L55 K56 Q57 | L49-E53 PolarHBondContact O-N 3.11Å; R50-E53 PolarHBondContact O-N 3.32Å; R51-E53 VanDerWaalsContact C-N 3.33Å; R51-E53 PolarHBondContact O-N 3.11Å; E53-L55 VanDerWaalsContact C-N 3.33Å; E53-L55 PolarHBondContact O-N 3.46Å; E53-K56 WeakPolarHBondContact O-CB 3.43Å; E53-K56 PolarHBondContact O-N 3.49Å; E53-K56 VanDerWaalsContact O-N 3.08Å; E53-Q57 WeakPolarHBondContact O-CG 3.32Å; E53-Q57 PolarHBondContact O-N 2.92Å |
| 54 | R | 93.2 | Very high | 88.3 | Confident | 183 Ų | 183 | 123.8 Ų | 123.8 | 69% | 0.691 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -56.5 | -45.6 | 173.8 | -177.4 | 178.9 | 178.1 | 143.1 | 0.6 | 112 | R50 R51 K56 Q57 L58 | R50-R54 WeakPolarHBondContact O-CB 3.39Å; R50-R54 PolarHBondContact O-N 2.89Å; R51-R54 PolarHBondContact O-N 3.36Å; R54-K56 VanDerWaalsContact C-N 3.34Å; R54-Q57 PolarHBondContact O-N 2.89Å; R54-L58 WeakPolarHBondContact O-CB 3.49Å; R54-L58 PolarHBondContact O-N 2.96Å |
| 55 | L | 94.5 | Very high | 87.5 | Confident | 79 Ų | 79 | 122.4 Ų | 122.4 | 41% | 0.414 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.2 | -36.3 | 176.5 | -76.3 | 171.4 | 0 | 0 | 0 | 112 | R51 K52 E53 L58 R59 | R51-L55 HydrophobicContact CG-CD1 3.99Å; R51-L55 HydrophobicContact CG-CG 4.41Å; R51-L55 WeakPolarHBondContact O-CB 2.84Å; R51-L55 WeakPolarHBondContact O-CG 3.16Å; R51-L55 PolarHBondContact O-N 2.91Å; K52-L55 PolarHBondContact O-N 2.91Å; E53-L55 VanDerWaalsContact C-N 3.33Å; E53-L55 PolarHBondContact O-N 3.46Å; L55-L58 PolarHBondContact O-N 3Å; L55-R59 VanDerWaalsContact O-CB 3.31Å; L55-R59 WeakPolarHBondContact O-CB 3.3Å; L55-R59 VanDerWaalsContact O-CG 3.28Å; L55-R59 WeakPolarHBondContact O-CG 3.41Å; L55-R59 PolarHBondContact O-N 3.3Å |
| 56 | K | 93.3 | Very high | 86.4 | Confident | 137 Ų | 137 | 119.2 Ų | 119.2 | 60% | 0.596 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.8 | -45.7 | 174.1 | -171.5 | -177.9 | 177.8 | -173.5 | 0 | 110.8 | K52 E53 R54 L58 R59 M60 | K52-K56 WeakPolarHBondContact O-CB 3.49Å; K52-K56 PolarHBondContact O-N 3.07Å; E53-K56 WeakPolarHBondContact O-CB 3.43Å; E53-K56 PolarHBondContact O-N 3.49Å; E53-K56 VanDerWaalsContact O-N 3.08Å; R54-K56 VanDerWaalsContact C-N 3.34Å; K56-L58 PolarHBondContact O-N 2.92Å; K56-R59 PolarHBondContact O-N 3.3Å; K56-M60 VanDerWaalsContact O-CG 3.25Å; K56-M60 WeakPolarHBondContact O-CG 3.34Å; K56-M60 PolarHBondContact O-N 2.86Å |
| 57 | Q | 91 | Very high | 84.9 | Confident | 107 Ų | 107 | 116.6 Ų | 116.6 | 50% | 0.5 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62 | -42.4 | 175.7 | -68.3 | 176.2 | 1.8 | 0 | 0 | 112.1 | E53 R54 M60 K61 | E53-Q57 WeakPolarHBondContact O-CG 3.32Å; E53-Q57 PolarHBondContact O-N 2.92Å; R54-Q57 PolarHBondContact O-N 2.89Å; Q57-M60 PolarHBondContact O-N 3.09Å; Q57-K61 WeakPolarHBondContact O-CG 3.34Å; Q57-K61 PolarHBondContact O-N 2.98Å |
| 58 | L | 89.1 | Confident | 83.3 | Confident | 82 Ų | 82 | 116.5 Ų | 116.5 | 43% | 0.429 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.8 | -38.6 | 178 | -149.5 | 155.8 | 0 | 0 | 0 | 111.2 | R54 L55 K56 K61 N62 | R54-L58 WeakPolarHBondContact O-CB 3.49Å; R54-L58 PolarHBondContact O-N 2.96Å; L55-L58 PolarHBondContact O-N 3Å; K56-L58 PolarHBondContact O-N 2.92Å; L58-K61 PolarHBondContact O-N 3.3Å; L58-N62 VanDerWaalsContact CD2-ND2 3.33Å; L58-N62 WeakPolarHBondContact CD2-ND2 3.49Å; L58-N62 VanDerWaalsContact O-CB 3.27Å; L58-N62 WeakPolarHBondContact O-CB 3.41Å; L58-N62 PolarHBondContact O-N 3.4Å |
| 59 | R | 90.1 | Very high | 81.6 | Confident | 191 Ų | 191 | 120.1 Ų | 120.1 | 72% | 0.721 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62.2 | -41.4 | 171.2 | -79.8 | 176.5 | 170.3 | 174.2 | -2.7 | 112.2 | L55 K56 A63 | L55-R59 VanDerWaalsContact O-CB 3.31Å; L55-R59 WeakPolarHBondContact O-CB 3.3Å; L55-R59 VanDerWaalsContact O-CG 3.28Å; L55-R59 WeakPolarHBondContact O-CG 3.41Å; L55-R59 PolarHBondContact O-N 3.3Å; K56-R59 PolarHBondContact O-N 3.3Å; R59-A63 VanDerWaalsContact O-CB 3.25Å; R59-A63 WeakPolarHBondContact O-CB 3.21Å; R59-A63 PolarHBondContact O-N 3.21Å |
| 60 | M | 86.3 | Confident | 79.7 | Confident | 117 Ų | 117 | 120.9 Ų | 120.9 | 58% | 0.576 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.6 | -47.4 | 176.2 | -68.7 | -67.4 | 149.1 | 0 | 0 | 111.3 | K56 Q57 N62 A63 S64 | K56-M60 VanDerWaalsContact O-CG 3.25Å; K56-M60 WeakPolarHBondContact O-CG 3.34Å; K56-M60 PolarHBondContact O-N 2.86Å; Q57-M60 PolarHBondContact O-N 3.09Å; M60-N62 PolarHBondContact O-N 3.13Å; M60-A63 PolarHBondContact O-N 3.45Å; M60-S64 PolarHBondContact O-N 2.85Å; M60-S64 PolarHBondContact O-OG 3.48Å |
| 61 | K | 85.9 | Confident | 77.9 | Confident | 144 Ų | 144 | 117.5 Ų | 117.5 | 63% | 0.626 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -60.4 | -43.2 | 175.6 | -73.2 | 179.9 | 176.4 | -177.5 | 0 | 112.2 | Q57 L58 S64 H65 | Q57-K61 WeakPolarHBondContact O-CG 3.34Å; Q57-K61 PolarHBondContact O-N 2.98Å; L58-K61 PolarHBondContact O-N 3.3Å; K61-S64 PolarHBondContact O-N 3.26Å; K61-H65 WeakPolarHBondContact O-CB 3.36Å; K61-H65 PolarHBondContact O-N 3.23Å |
| 62 | N | 84.6 | Confident | 76 | Confident | 91 Ų | 91 | 114.1 Ų | 114.1 | 49% | 0.487 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -73.4 | -27.9 | 177.7 | -74.4 | 6.4 | 0 | 0 | 0 | 112.6 | L58 M60 S64 H65 K66 | L58-N62 VanDerWaalsContact CD2-ND2 3.33Å; L58-N62 WeakPolarHBondContact CD2-ND2 3.49Å; L58-N62 VanDerWaalsContact O-CB 3.27Å; L58-N62 WeakPolarHBondContact O-CB 3.41Å; L58-N62 PolarHBondContact O-N 3.4Å; M60-N62 PolarHBondContact O-N 3.13Å; N62-S64 VanDerWaalsContact C-N 3.35Å; N62-H65 PolarHBondContact O-N 2.97Å; N62-K66 WeakPolarHBondContact O-CA 3.47Å; N62-K66 WeakPolarHBondContact O-CB 3.32Å; N62-K66 PolarHBondContact O-N 3.43Å |
| 63 | A | 77.6 | Confident | 73.7 | Confident | 60 Ų | 60 | 113 Ų | 113 | 50% | 0.496 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.7 | -41.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | R59 M60 S67 | R59-A63 VanDerWaalsContact O-CB 3.25Å; R59-A63 WeakPolarHBondContact O-CB 3.21Å; R59-A63 PolarHBondContact O-N 3.21Å; M60-A63 PolarHBondContact O-N 3.45Å; A63-S67 WeakPolarHBondContact O-CB 3.41Å; A63-S67 PolarHBondContact O-N 2.85Å; A63-S67 PolarHBondContact O-OG 2.83Å |
| 64 | S | 70.8 | Confident | 71.6 | Confident | 73 Ų | 73 | 109.7 Ų | 109.7 | 51% | 0.51 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -69.8 | -32.5 | 172.5 | -61 | 0 | 0 | 0 | 0 | 113.7 | M60 K61 N62 S67 I68 | M60-S64 PolarHBondContact O-N 2.85Å; M60-S64 PolarHBondContact O-OG 3.48Å; K61-S64 PolarHBondContact O-N 3.26Å; N62-S64 VanDerWaalsContact C-N 3.35Å; S64-S67 VanDerWaalsContact C-OG 3.31Å; S64-S67 WeakPolarHBondContact CA-OG 3.23Å; S64-S67 PolarHBondContact O-OG 3.39Å; S64-I68 WeakPolarHBondContact O-CG1 3.33Å; S64-I68 PolarHBondContact O-N 3.25Å |
| 65 | H | 63.8 | Low | 69.5 | Low | 116 Ų | 116 | 108.7 Ų | 108.7 | 54% | 0.537 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -81.7 | -32.6 | 176.7 | -109.1 | -73.9 | 0 | 0 | 0 | 113 | K61 N62 S67 I68 I69 | K61-H65 WeakPolarHBondContact O-CB 3.36Å; K61-H65 PolarHBondContact O-N 3.23Å; N62-H65 PolarHBondContact O-N 2.97Å; H65-S67 VanDerWaalsContact C-N 3.28Å; H65-I68 WeakPolarHBondContact O-CA 3.48Å; H65-I68 PolarHBondContact O-N 2.84Å; H65-I69 PolarHBondContact O-N 3.24Å |
| 66 | K | 61.4 | Low | 67.4 | Low | 138 Ų | 138 | 111.9 Ų | 111.9 | 60% | 0.6 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -70.3 | -31.7 | 171.6 | -169.1 | 170.9 | -173.5 | 179.7 | 0 | 110.2 | N62 I69 H70 | N62-K66 WeakPolarHBondContact O-CA 3.47Å; N62-K66 WeakPolarHBondContact O-CB 3.32Å; N62-K66 PolarHBondContact O-N 3.43Å; K66-I69 PolarHBondContact O-N 3.36Å; K66-H70 WeakPolarHBondContact O-CB 3.47Å; K66-H70 PolarHBondContact O-CD2 3.16Å; K66-H70 PolarHBondContact O-N 3.41Å |
| 67 | S | 54.8 | Low | 65.8 | Low | 42 Ų | 42 | 109.6 Ų | 109.6 | 29% | 0.294 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.4 | -47.9 | 163.5 | 78.5 | 0 | 0 | 0 | 0 | 108.8 | A63 S64 H65 I69 H70 L71 | A63-S67 WeakPolarHBondContact O-CB 3.41Å; A63-S67 PolarHBondContact O-N 2.85Å; A63-S67 PolarHBondContact O-OG 2.83Å; S64-S67 VanDerWaalsContact C-OG 3.31Å; S64-S67 WeakPolarHBondContact CA-OG 3.23Å; S64-S67 PolarHBondContact O-OG 3.39Å; H65-S67 VanDerWaalsContact C-N 3.28Å; S67-I69 PolarHBondContact O-N 3.44Å; S67-H70 CarbonylContact O-C 3.54Å; S67-H70 VanDerWaalsContact O-C 3.29Å; S67-H70 PolarHBondContact O-N 3Å; S67-L71 VanDerWaalsContact O-CA 3.26Å; S67-L71 WeakPolarHBondContact O-CA 3.36Å; S67-L71 WeakPolarHBondContact O-CB 3.48Å; S67-L71 VanDerWaalsContact O-CD1 3.3Å; S67-L71 WeakPolarHBondContact O-CD1 3.41Å; S67-L71 WeakPolarHBondContact O-CG 3.36Å; S67-L71 PolarHBondContact O-N 2.81Å; S67-L71 VanDerWaalsContact OG-CD1 3.29Å; S67-L71 WeakPolarHBondContact OG-CD1 3.5Å |
| 68 | I | 55.4 | Low | 64.3 | Low | 112 Ų | 112 | 112.1 Ų | 112.1 | 57% | 0.574 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -58.8 | -28.1 | 178.6 | -71.1 | 163.7 | 0 | 0 | 0 | 114.8 | S64 H65 L71 | S64-I68 WeakPolarHBondContact O-CG1 3.33Å; S64-I68 PolarHBondContact O-N 3.25Å; H65-I68 WeakPolarHBondContact O-CA 3.48Å; H65-I68 PolarHBondContact O-N 2.84Å; I68-L71 HydrophobicContact CG1-CD1 4.17Å |
| 69 | I | 57.2 | Low | 63.4 | Low | 133 Ų | 133 | 115.5 Ų | 115.5 | 68% | 0.682 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -88.2 | -16.9 | 175.9 | -60.4 | 170.7 | 0 | 0 | 0 | 112.5 | H65 K66 S67 | H65-I69 PolarHBondContact O-N 3.24Å; K66-I69 PolarHBondContact O-N 3.36Å; S67-I69 PolarHBondContact O-N 3.44Å |
| 70 | H | 52.9 | Low | 62.5 | Low | 117 Ų | 117 | 109.1 Ų | 109.1 | 54% | 0.542 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -127.4 | 15.8 | 179.7 | -66 | -72.1 | 0 | 0 | 0 | 114.6 | K66 S67 N72 | K66-H70 WeakPolarHBondContact O-CB 3.47Å; K66-H70 PolarHBondContact O-CD2 3.16Å; K66-H70 PolarHBondContact O-N 3.41Å; S67-H70 CarbonylContact O-C 3.54Å; S67-H70 VanDerWaalsContact O-C 3.29Å; S67-H70 PolarHBondContact O-N 3Å; H70-N72 VanDerWaalsContact C-N 3.31Å; H70-N72 PolarHBondContact O-N 3.46Å; H70-N72 VanDerWaalsContact O-N 3.13Å |
| 71 | L | 52.1 | Low | 62.1 | Low | 105 Ų | 105 | 111.5 Ų | 111.5 | 55% | 0.55 | 61% | 0.611 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.4 | 77.6 | 179.3 | -88.8 | 161.9 | 0 | 0 | 0 | 106.4 | S67 I68 | S67-L71 VanDerWaalsContact O-CA 3.26Å; S67-L71 WeakPolarHBondContact O-CA 3.36Å; S67-L71 WeakPolarHBondContact O-CB 3.48Å; S67-L71 VanDerWaalsContact O-CD1 3.3Å; S67-L71 WeakPolarHBondContact O-CD1 3.41Å; S67-L71 WeakPolarHBondContact O-CG 3.36Å; S67-L71 PolarHBondContact O-N 2.81Å; S67-L71 VanDerWaalsContact OG-CD1 3.29Å; S67-L71 WeakPolarHBondContact OG-CD1 3.5Å; I68-L71 HydrophobicContact CG1-CD1 4.17Å |
| 72 | N | 52.7 | Low | 61.7 | Low | 96 Ų | 96 | 108 Ų | 108 | 51% | 0.513 | 60% | 0.604 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -176.1 | 26.1 | 147.9 | -85.9 | -17.8 | 0 | 0 | 0 | 110.9 | H70 G74 P80 | H70-N72 VanDerWaalsContact C-N 3.31Å; H70-N72 PolarHBondContact O-N 3.46Å; H70-N72 VanDerWaalsContact O-N 3.13Å; N72-G74 PolarHBondContact O-N 3.04Å; N72-G74 VanDerWaalsContact O-N 3.08Å; N72-P80 HydrophobicContact CB-CB 3.33Å; N72-P80 HydrophobicContact CB-CG 3.42Å; N72-P80 VanDerWaalsContact CB-CG 3.42Å |
| 73 | N | 47.6 | Very low | 61.7 | Low | 130 Ų | 130 | 109.1 Ų | 109.1 | 70% | 0.695 | 61% | 0.608 | S | S | * | * | trans | -82 | 76.2 | 159.7 | -79.1 | 13.2 | 0 | 0 | 0 | 107.3 | ||||
| 74 | G | 48.3 | Very low | 62 | Low | 51 Ų | 51 | 106.7 Ų | 106.7 | 53% | 0.526 | 59% | 0.586 | S | S | . | * | trans | -68.2 | 135.6 | 162.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | N72 N76 | N72-G74 PolarHBondContact O-N 3.04Å; N72-G74 VanDerWaalsContact O-N 3.08Å; G74-N76 PolarHBondContact O-N 3.2Å | ||
| 75 | D | 50.8 | Low | 62.7 | Low | 162 Ų | 162 | 112.7 Ų | 112.7 | 87% | 0.866 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -66.6 | 50.5 | -174.1 | -71.3 | -46.3 | 0 | 0 | 0 | 114.5 | ||
| 76 | N | 50.3 | Low | 63.7 | Low | 145 Ų | 145 | 114.7 Ų | 114.7 | 78% | 0.775 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -150.7 | 42.5 | 175 | -75.6 | -46.4 | 0 | 0 | 0 | 112.4 | G74 E78 | G74-N76 PolarHBondContact O-N 3.2Å; N76-E78 PolarHBondContact O-N 2.9Å |
| 77 | G | 58.5 | Low | 65 | Low | 89 Ų | 89 | 115.1 Ų | 115.1 | 92% | 0.918 | 61% | 0.612 | S | S | * | * | S | Bend | trans | 57.2 | 8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 78 | E | 60.2 | Low | 66.3 | Low | 161 Ų | 161 | 120.5 Ų | 120.5 | 75% | 0.752 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 119.3 | -172 | -132.3 | 161.9 | -164.6 | 0 | 0 | 108.4 | N76 | N76-E78 PolarHBondContact O-N 2.9Š|
| 79 | L | 69.5 | Low | 67.8 | Low | 153 Ų | 153 | 115.8 Ų | 115.8 | 80% | 0.801 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 149 | -177.2 | -69.5 | 162.9 | 0 | 0 | 0 | 110.4 | K81 | L79-K81 PolarHBondContact O-N 2.76Š|
| 80 | P | 72.2 | Confident | 69 | Low | 57 Ų | 57 | 119 Ų | 119 | 37% | 0.37 | 62% | 0.618 | S | S | . | * | P | Polyproline II helix | trans | -48.7 | 126.8 | 171.5 | -22.9 | 29.2 | 0 | 0 | 0 | 111.3 | N72 P82 | N72-P80 HydrophobicContact CB-CB 3.33Å; N72-P80 HydrophobicContact CB-CG 3.42Å; N72-P80 VanDerWaalsContact CB-CG 3.42Å; P80-P82 WeakPolarHBondContact O-CD 3.4Å |
| 81 | K | 76.9 | Confident | 70.4 | Confident | 167 Ų | 167 | 116 Ų | 116 | 73% | 0.726 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 124.4 | 174.3 | -69 | -171.5 | 179 | -171.2 | 0 | 109.6 | L79 | L79-K81 PolarHBondContact O-N 2.76Š|
| 82 | P | 78.3 | Confident | 71.7 | Confident | 71 Ų | 71 | 118.1 Ų | 118.1 | 46% | 0.461 | 62% | 0.618 | S | S | . | * | P | Polyproline II helix | trans | -68.2 | 140.6 | -176.8 | 26.8 | -34.6 | 0 | 0 | 0 | 111.6 | P80 F84 | P80-P82 WeakPolarHBondContact O-CD 3.4Å; P82-F84 HydrophobicContact CB-CE1 4.04Å; P82-F84 HydrophobicContact CB-CE2 4.38Å; P82-F84 HydrophobicContact CB-CZ 3.77Å; P82-F84 HydrophobicContact CG-CE1 4.2Å; P82-F84 HydrophobicContact CG-CE2 4.04Å; P82-F84 HydrophobicContact CG-CZ 3.47Å; P82-F84 VanDerWaalsContact CG-CZ 3.47Å |
| 83 | I | 83.8 | Confident | 73 | Confident | 114 Ų | 114 | 121.8 Ų | 121.8 | 59% | 0.585 | 63% | 0.632 | S | S | * | * | trans | -105.3 | 120.8 | 177.4 | -58 | 173.8 | 0 | 0 | 0 | 109.2 | G97 L99 | I83-G97 CarbonylContact C-O 3.59Å; I83-G97 WeakPolarHBondContact CA-O 3.5Å; I83-L99 HydrophobicContact CG2-CD1 3.31Å; I83-L99 HydrophobicContact CG2-CD2 4.5Å; I83-L99 HydrophobicContact CG2-CG 3.63Å | ||
| 84 | F | 84.2 | Confident | 74.4 | Confident | 8 Ų | 8 | 118.6 Ų | 118.6 | 4% | 0.035 | 62% | 0.615 | C | S | . | * | B | Isolated β-bridge | trans | -96.7 | 107.6 | -174.7 | -52.9 | -69.9 | 0 | 0 | 0 | 110.9 | P82 Y87 P89 L94 G97 L99 | P82-F84 HydrophobicContact CB-CE1 4.04Å; P82-F84 HydrophobicContact CB-CE2 4.38Å; P82-F84 HydrophobicContact CB-CZ 3.77Å; P82-F84 HydrophobicContact CG-CE1 4.2Å; P82-F84 HydrophobicContact CG-CE2 4.04Å; P82-F84 HydrophobicContact CG-CZ 3.47Å; P82-F84 VanDerWaalsContact CG-CZ 3.47Å; F84-Y87 WeakPolarHBondContact CB-O 3.21Å; F84-Y87 HydrophobicContact CD1-CD2 4.13Å; F84-Y87 AromaticContact CD1-CE1 3.91Å; F84-Y87 HydrophobicContact CD1-CE1 3.91Å; F84-Y87 AromaticContact CD1-CE2 3.28Å; F84-Y87 HydrophobicContact CD1-CE2 3.28Å; F84-Y87 AromaticContact CD1-CZ 3.19Å; F84-Y87 WeakPolarHBondContact CD1-OH 3.38Å; F84-Y87 AromaticContact CE1-CE2 3.63Å; F84-Y87 HydrophobicContact CE1-CE2 3.63Å; F84-Y87 AromaticContact CE1-CZ 3.55Å; F84-Y87 WeakPolarHBondContact CE1-OH 3.29Å; F84-Y87 HydrophobicContact CG-CE2 4.17Å; F84-P89 HydrophobicContact CD2-CB 4.25Å; F84-P89 HydrophobicContact CD2-CG 3.69Å; F84-P89 HydrophobicContact CE2-CB 4.17Å; F84-P89 HydrophobicContact CE2-CG 3.98Å; F84-P89 HydrophobicContact CG-CG 4.21Å; F84-P89 HydrophobicContact CZ-CB 4.41Å; F84-L94 WeakPolarHBondContact CD2-O 3.35Å; F84-L94 HydrophobicContact CE1-CD2 4.27Å; F84-L94 HydrophobicContact CE2-CB 3.61Å; F84-L94 HydrophobicContact CE2-CD2 4.12Å; F84-L94 HydrophobicContact CE2-CG 3.9Å; F84-L94 WeakPolarHBondContact CE2-O 3.36Å; F84-L94 HydrophobicContact CZ-CB 3.86Å; F84-L94 HydrophobicContact CZ-CD2 3.45Å; F84-L94 VanDerWaalsContact CZ-CD2 3.45Å; F84-L94 HydrophobicContact CZ-CG 3.69Å; F84-G97 PolarHBondContact N-O 3.33Å; F84-L99 PolarHBondContact O-N 2.86Å; F84-L99 VanDerWaalsContact O-N 3.1Å |
| 85 | R | 86.1 | Confident | 75.8 | Confident | 199 Ų | 199 | 120.7 Ų | 120.7 | 75% | 0.751 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -90.4 | -46.2 | 179.1 | -70 | 173.9 | 131.6 | 117.1 | -0.8 | 112.9 | L99 | R85-L99 HydrophobicContact CB-CD1 4.48Å; R85-L99 HydrophobicContact CG-CD1 3.48Å; R85-L99 VanDerWaalsContact CG-CD1 3.48Å |
| 86 | N | 85.6 | Confident | 77.2 | Confident | 159 Ų | 159 | 119.7 Ų | 119.7 | 85% | 0.85 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -107.3 | -8.3 | -163.5 | -62.1 | -7.8 | 0 | 0 | 0 | 113.6 | ||
| 87 | Y | 86.9 | Confident | 78.6 | Confident | 147 Ų | 147 | 113.6 Ų | 113.6 | 58% | 0.576 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -145.8 | 157.9 | -177.5 | 64.1 | -88.1 | 0 | 0 | 0 | 110.6 | F84 | F84-Y87 WeakPolarHBondContact CB-O 3.21Å; F84-Y87 HydrophobicContact CD1-CD2 4.13Å; F84-Y87 AromaticContact CD1-CE1 3.91Å; F84-Y87 HydrophobicContact CD1-CE1 3.91Å; F84-Y87 AromaticContact CD1-CE2 3.28Å; F84-Y87 HydrophobicContact CD1-CE2 3.28Å; F84-Y87 AromaticContact CD1-CZ 3.19Å; F84-Y87 WeakPolarHBondContact CD1-OH 3.38Å; F84-Y87 AromaticContact CE1-CE2 3.63Å; F84-Y87 HydrophobicContact CE1-CE2 3.63Å; F84-Y87 AromaticContact CE1-CZ 3.55Å; F84-Y87 WeakPolarHBondContact CE1-OH 3.29Å; F84-Y87 HydrophobicContact CG-CE2 4.17Å |
| 88 | K | 83.6 | Confident | 79.6 | Confident | 154 Ų | 154 | 112.6 Ų | 112.6 | 67% | 0.67 | 55% | 0.547 | S | S | * | . | trans | -98 | 120.1 | 175.4 | -53.8 | -162.8 | 173.2 | -168.8 | 0 | 108.8 | E98 | K88-E98 WeakPolarHBondContact CD-OE1 3.2Å; K88-E98 WeakPolarHBondContact CE-OE1 3.22Å; K88-E98 VanDerWaalsContact CG-OE1 3.27Å; K88-E98 WeakPolarHBondContact CG-OE1 3.41Å; K88-E98 IonicContact NZ-OE1 2.81Å | ||
| 89 | P | 85.7 | Confident | 80.3 | Confident | 13 Ų | 13 | 108.8 Ų | 108.8 | 8% | 0.084 | 53% | 0.531 | C | S | . | . | trans | -64.9 | 139.8 | 177.1 | 26.6 | -32.3 | 0 | 0 | 0 | 110.4 | F84 L94 | F84-P89 HydrophobicContact CD2-CB 4.25Å; F84-P89 HydrophobicContact CD2-CG 3.69Å; F84-P89 HydrophobicContact CE2-CB 4.17Å; F84-P89 HydrophobicContact CE2-CG 3.98Å; F84-P89 HydrophobicContact CG-CG 4.21Å; F84-P89 HydrophobicContact CZ-CB 4.41Å; P89-L94 HydrophobicContact CB-CB 3.47Å; P89-L94 VanDerWaalsContact CB-CB 3.47Å; P89-L94 HydrophobicContact CB-CD2 4.31Å; P89-L94 HydrophobicContact CG-CB 3.87Å; P89-L94 WeakPolarHBondContact CG-O 3.44Å | ||
| 90 | Q | 82.9 | Confident | 80.6 | Confident | 200 Ų | 200 | 107 Ų | 107 | 94% | 0.935 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -78.6 | -30.3 | 179.4 | -70.1 | -179.1 | -31.1 | 0 | 0 | 112.6 | ||
| 91 | S | 83.3 | Confident | 80.9 | Confident | 55 Ų | 55 | 108.7 Ų | 108.7 | 39% | 0.385 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -81.6 | 143.2 | -179.5 | 50.5 | 0 | 0 | 0 | 0 | 111.8 | E93 L94 | S91-E93 VanDerWaalsContact C-N 3.32Å; S91-E93 PolarHBondContact O-N 3Å; S91-L94 PolarHBondContact O-N 3.21Å |
| 92 | E | 79.5 | Confident | 80.9 | Confident | 149 Ų | 149 | 104.1 Ų | 104.1 | 70% | 0.696 | 55% | 0.548 | S | S | * | . | G | 310 helix | trans | -64.4 | -36.7 | -177.7 | -57.6 | -134.8 | 117.7 | 0 | 0 | 112.7 | L94 K95 | E92-L94 PolarHBondContact O-N 3.13Å; E92-K95 WeakPolarHBondContact O-CB 3.31Å; E92-K95 PolarHBondContact O-N 3.01Å; E92-K95 IonicContact OE1-NZ 3.73Å; E92-K95 PolarHBondContact OE1-NZ 3.42Å |
| 93 | E | 79.6 | Confident | 80.9 | Confident | 174 Ų | 174 | 110.2 Ų | 110.2 | 81% | 0.813 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -63.8 | -22.1 | -179.3 | -61 | 176.7 | -178.1 | 0 | 0 | 113.9 | S91 | S91-E93 VanDerWaalsContact C-N 3.32Å; S91-E93 PolarHBondContact O-N 3Å |
| 94 | L | 77.1 | Confident | 80.8 | Confident | 63 Ų | 63 | 110.7 Ų | 110.7 | 33% | 0.33 | 58% | 0.577 | S | S | . | * | G | 310 helix | trans | -98.4 | -11.5 | -178.1 | -86 | 64.7 | 0 | 0 | 0 | 112.3 | F84 P89 S91 E92 D96 G97 | F84-L94 WeakPolarHBondContact CD2-O 3.35Å; F84-L94 HydrophobicContact CE1-CD2 4.27Å; F84-L94 HydrophobicContact CE2-CB 3.61Å; F84-L94 HydrophobicContact CE2-CD2 4.12Å; F84-L94 HydrophobicContact CE2-CG 3.9Å; F84-L94 WeakPolarHBondContact CE2-O 3.36Å; F84-L94 HydrophobicContact CZ-CB 3.86Å; F84-L94 HydrophobicContact CZ-CD2 3.45Å; F84-L94 VanDerWaalsContact CZ-CD2 3.45Å; F84-L94 HydrophobicContact CZ-CG 3.69Å; P89-L94 HydrophobicContact CB-CB 3.47Å; P89-L94 VanDerWaalsContact CB-CB 3.47Å; P89-L94 HydrophobicContact CB-CD2 4.31Å; P89-L94 HydrophobicContact CG-CB 3.87Å; P89-L94 WeakPolarHBondContact CG-O 3.44Å; S91-L94 PolarHBondContact O-N 3.21Å; E92-L94 PolarHBondContact O-N 3.13Å; L94-D96 PolarHBondContact O-N 3.34Å; L94-G97 PolarHBondContact O-N 3.3Å |
| 95 | K | 77.8 | Confident | 80.6 | Confident | 95 Ų | 95 | 115.9 Ų | 115.9 | 41% | 0.413 | 61% | 0.61 | S | S | . | * | G | 310 helix | trans | -60.2 | -30.7 | 179.6 | -70.2 | 176.6 | -175.1 | 170.2 | 0 | 112.5 | E92 G97 E98 | E92-K95 WeakPolarHBondContact O-CB 3.31Å; E92-K95 PolarHBondContact O-N 3.01Å; E92-K95 IonicContact OE1-NZ 3.73Å; E92-K95 PolarHBondContact OE1-NZ 3.42Å; K95-G97 PolarHBondContact O-N 2.92Å; K95-G97 VanDerWaalsContact O-N 3.11Å; K95-E98 WeakPolarHBondContact O-CB 3.41Å; K95-E98 PolarHBondContact O-N 3.23Å |
| 96 | D | 79 | Confident | 80.4 | Confident | 141 Ų | 141 | 111 Ų | 111 | 75% | 0.754 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -59.3 | -22 | 176.7 | -70.1 | -9.4 | 0 | 0 | 0 | 113.4 | L94 | L94-D96 PolarHBondContact O-N 3.34Š|
| 97 | G | 80.1 | Confident | 80.4 | Confident | 17 Ų | 17 | 108.3 Ų | 108.3 | 18% | 0.175 | 58% | 0.584 | C | S | . | * | G | 310 helix | trans | -92.7 | -0.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | I83 F84 L94 K95 L99 | I83-G97 CarbonylContact C-O 3.59Å; I83-G97 WeakPolarHBondContact CA-O 3.5Å; F84-G97 PolarHBondContact N-O 3.33Å; L94-G97 PolarHBondContact O-N 3.3Å; K95-G97 PolarHBondContact O-N 2.92Å; K95-G97 VanDerWaalsContact O-N 3.11Å; G97-L99 PolarHBondContact O-N 2.82Å |
| 98 | E | 78.6 | Confident | 80.4 | Confident | 68 Ų | 68 | 106 Ų | 106 | 32% | 0.318 | 58% | 0.581 | S | S | . | * | B | Isolated β-bridge | trans | -73.5 | 116.1 | -179.3 | -170.2 | 176.7 | 163.7 | 0 | 0 | 110.3 | K88 K95 | K88-E98 WeakPolarHBondContact CD-OE1 3.2Å; K88-E98 WeakPolarHBondContact CE-OE1 3.22Å; K88-E98 VanDerWaalsContact CG-OE1 3.27Å; K88-E98 WeakPolarHBondContact CG-OE1 3.41Å; K88-E98 IonicContact NZ-OE1 2.81Å; K95-E98 WeakPolarHBondContact O-CB 3.41Å; K95-E98 PolarHBondContact O-N 3.23Å |
| 99 | L | 75.5 | Confident | 80.4 | Confident | 81 Ų | 81 | 106.4 Ų | 106.4 | 42% | 0.424 | 58% | 0.583 | S | S | . | * | P | Polyproline II helix | trans | -69.3 | 132.1 | 172 | -84 | 156.8 | 0 | 0 | 0 | 108.9 | I83 F84 R85 G97 A101 | I83-L99 HydrophobicContact CG2-CD1 3.31Å; I83-L99 HydrophobicContact CG2-CD2 4.5Å; I83-L99 HydrophobicContact CG2-CG 3.63Å; F84-L99 PolarHBondContact O-N 2.86Å; F84-L99 VanDerWaalsContact O-N 3.1Å; R85-L99 HydrophobicContact CB-CD1 4.48Å; R85-L99 HydrophobicContact CG-CD1 3.48Å; R85-L99 VanDerWaalsContact CG-CD1 3.48Å; G97-L99 PolarHBondContact O-N 2.82Å; L99-A101 PolarHBondContact O-N 3.07Å |
| 100 | P | 76.9 | Confident | 80.3 | Confident | 114 Ų | 114 | 111.7 Ų | 111.7 | 74% | 0.74 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 134.3 | 177.4 | 25.4 | -33.3 | 0 | 0 | 0 | 109.5 | G102 | P100-G102 PolarHBondContact O-N 2.86Š|
| 101 | A | 77.4 | Confident | 80.4 | Confident | 94 Ų | 94 | 106 Ų | 106 | 78% | 0.777 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 127.1 | 176 | 0 | 0 | 0 | 0 | 0 | 109.5 | L99 K103 | L99-A101 PolarHBondContact O-N 3.07Å; A101-K103 PolarHBondContact O-N 3.2Å |
| 102 | G | 76.6 | Confident | 80.6 | Confident | 71 Ų | 71 | 108.2 Ų | 108.2 | 73% | 0.732 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 134.1 | 177 | 0 | 0 | 0 | 0 | 0 | 110.2 | P100 | P100-G102 PolarHBondContact O-N 2.86Š|
| 103 | K | 79.6 | Confident | 80.8 | Confident | 198 Ų | 198 | 103.8 Ų | 103.8 | 86% | 0.861 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 133.9 | 174.4 | -66.2 | -178.3 | -178.9 | 179.9 | 0 | 108.4 | A101 V105 | A101-K103 PolarHBondContact O-N 3.2Å; K103-V105 PolarHBondContact O-N 3.45Å |
| 104 | P | 80.2 | Confident | 81.1 | Confident | 124 Ų | 124 | 102.1 Ų | 102.1 | 81% | 0.805 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -59 | 141.3 | 177.1 | 25.1 | -32.8 | 0 | 0 | 0 | 109.6 | D106 | P104-D106 PolarHBondContact O-N 3.32Š|
| 105 | V | 80.8 | Confident | 81.4 | Confident | 118 Ų | 118 | 103.9 Ų | 103.9 | 72% | 0.715 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -63 | 132 | 175.5 | 178.5 | 0 | 0 | 0 | 0 | 108.2 | K103 L107 | K103-V105 PolarHBondContact O-N 3.45Å; V105-L107 HydrophobicContact CG1-CD2 4.4Å; V105-L107 PolarHBondContact O-N 3.33Å |
| 106 | D | 82.4 | Confident | 81.5 | Confident | 97 Ų | 97 | 106.1 Ų | 106.1 | 52% | 0.519 | 59% | 0.59 | S | S | . | * | trans | -71.8 | 101.2 | 178.8 | -172.5 | 7.6 | 0 | 0 | 0 | 110.5 | P104 N108 | P104-D106 PolarHBondContact O-N 3.32Å; D106-N108 VanDerWaalsContact C-N 3.28Å; D106-N108 PolarHBondContact O-N 2.89Å; D106-N108 VanDerWaalsContact OD1-CB 3.31Å; D106-N108 WeakPolarHBondContact OD1-CB 3.38Å; D106-N108 PolarHBondContact OD1-N 3.01Å; D106-N108 PolarHBondContact OD1-ND2 3.4Å | ||
| 107 | L | 84.8 | Confident | 81.5 | Confident | 102 Ų | 102 | 103 Ų | 103 | 53% | 0.534 | 58% | 0.584 | S | S | . | * | trans | -80.7 | -7.1 | -177.6 | -59.2 | -179.2 | 0 | 0 | 0 | 113 | V105 K109 H110 I111 | V105-L107 HydrophobicContact CG1-CD2 4.4Å; V105-L107 PolarHBondContact O-N 3.33Å; L107-K109 PolarHBondContact O-N 3.17Å; L107-K109 VanDerWaalsContact O-N 3.15Å; L107-H110 WeakPolarHBondContact O-CB 3.18Å; L107-H110 PolarHBondContact O-N 2.91Å; L107-I111 HydrophobicContact CB-CD1 4.32Å; L107-I111 PolarHBondContact O-N 3.2Å | ||
| 108 | N | 86.8 | Confident | 81.2 | Confident | 97 Ų | 97 | 105.6 Ų | 105.6 | 52% | 0.519 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -54.2 | -40.2 | -175.1 | -71.4 | -39.8 | 0 | 0 | 0 | 112.1 | D106 H110 I111 I112 | D106-N108 VanDerWaalsContact C-N 3.28Å; D106-N108 PolarHBondContact O-N 2.89Å; D106-N108 VanDerWaalsContact OD1-CB 3.31Å; D106-N108 WeakPolarHBondContact OD1-CB 3.38Å; D106-N108 PolarHBondContact OD1-N 3.01Å; D106-N108 PolarHBondContact OD1-ND2 3.4Å; N108-H110 VanDerWaalsContact C-N 3.32Å; N108-H110 PolarHBondContact O-N 3.4Å; N108-I111 PolarHBondContact O-N 3.38Å; N108-I112 WeakPolarHBondContact O-CB 3.32Å; N108-I112 WeakPolarHBondContact O-CD1 3.2Å; N108-I112 WeakPolarHBondContact O-CG1 3.47Å; N108-I112 PolarHBondContact O-N 3.4Å |
| 109 | K | 84.3 | Confident | 81 | Confident | 163 Ų | 163 | 108.9 Ų | 108.9 | 71% | 0.709 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -61.1 | -38.3 | 177.2 | -62.6 | -176.9 | -179.7 | -177.2 | 0 | 113.2 | L107 A113 | L107-K109 PolarHBondContact O-N 3.17Å; L107-K109 VanDerWaalsContact O-N 3.15Å; K109-A113 PolarHBondContact O-N 3.43Å; K109-A113 VanDerWaalsContact O-N 3.15Å |
| 110 | H | 82.6 | Confident | 80.7 | Confident | 124 Ų | 124 | 107.3 Ų | 107.3 | 57% | 0.574 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -73.7 | -39.3 | 179.2 | -72.9 | 80 | 0 | 0 | 0 | 111.3 | L107 N108 I112 A113 Q114 | L107-H110 WeakPolarHBondContact O-CB 3.18Å; L107-H110 PolarHBondContact O-N 2.91Å; N108-H110 VanDerWaalsContact C-N 3.32Å; N108-H110 PolarHBondContact O-N 3.4Å; H110-I112 VanDerWaalsContact C-N 3.35Å; H110-A113 PolarHBondContact O-N 3.48Å; H110-Q114 WeakPolarHBondContact O-CG 3.46Å; H110-Q114 PolarHBondContact O-N 2.99Å |
| 111 | I | 86.5 | Confident | 80.1 | Confident | 80 Ų | 80 | 107.2 Ų | 107.2 | 41% | 0.41 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -63.9 | -44.3 | 177 | -63.9 | 167.5 | 0 | 0 | 0 | 109.9 | L107 N108 A113 Q114 L115 | L107-I111 HydrophobicContact CB-CD1 4.32Å; L107-I111 PolarHBondContact O-N 3.2Å; N108-I111 PolarHBondContact O-N 3.38Å; I111-A113 PolarHBondContact O-N 3.3Å; I111-Q114 PolarHBondContact O-N 3Å; I111-L115 HydrophobicContact CG2-CD1 3.83Å; I111-L115 HydrophobicContact CG2-CG 4.28Å; I111-L115 WeakPolarHBondContact O-CB 3.39Å; I111-L115 WeakPolarHBondContact O-CG 3.22Å; I111-L115 PolarHBondContact O-N 3.04Å |
| 112 | I | 86.5 | Confident | 79.3 | Confident | 103 Ų | 103 | 108.4 Ų | 108.4 | 53% | 0.528 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -60.5 | -47.6 | 177.5 | -67.1 | 161.4 | 0 | 0 | 0 | 110.6 | N108 H110 Q114 L115 E116 | N108-I112 WeakPolarHBondContact O-CB 3.32Å; N108-I112 WeakPolarHBondContact O-CD1 3.2Å; N108-I112 WeakPolarHBondContact O-CG1 3.47Å; N108-I112 PolarHBondContact O-N 3.4Å; H110-I112 VanDerWaalsContact C-N 3.35Å; I112-Q114 VanDerWaalsContact C-N 3.28Å; I112-Q114 PolarHBondContact O-N 3.3Å; I112-L115 PolarHBondContact O-N 3.31Å; I112-E116 WeakPolarHBondContact O-CB 3.4Å; I112-E116 PolarHBondContact O-N 3.44Å |
| 113 | A | 84.8 | Confident | 78.4 | Confident | 56 Ų | 56 | 112 Ų | 112 | 46% | 0.463 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -61.2 | -36.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | K109 H110 I111 A117 | K109-A113 PolarHBondContact O-N 3.43Å; K109-A113 VanDerWaalsContact O-N 3.15Å; H110-A113 PolarHBondContact O-N 3.48Å; I111-A113 PolarHBondContact O-N 3.3Å; A113-A117 VanDerWaalsContact O-CB 3.3Å; A113-A117 WeakPolarHBondContact O-CB 3.35Å; A113-A117 PolarHBondContact O-N 2.97Å |
| 114 | Q | 84.7 | Confident | 77.4 | Confident | 138 Ų | 138 | 107 Ų | 107 | 65% | 0.645 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -72.2 | -39.8 | 176.4 | -74.6 | 178.8 | -15.6 | 0 | 0 | 112.6 | H110 I111 I112 A117 A118 | H110-Q114 WeakPolarHBondContact O-CG 3.46Å; H110-Q114 PolarHBondContact O-N 2.99Å; I111-Q114 PolarHBondContact O-N 3Å; I112-Q114 VanDerWaalsContact C-N 3.28Å; I112-Q114 PolarHBondContact O-N 3.3Å; Q114-A117 PolarHBondContact O-N 2.92Å; Q114-A118 WeakPolarHBondContact O-CB 3.44Å; Q114-A118 PolarHBondContact O-N 2.92Å |
| 115 | L | 82.8 | Confident | 76.5 | Confident | 101 Ų | 101 | 107.3 Ų | 107.3 | 53% | 0.529 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -66.6 | -42.6 | 175.5 | -72.7 | 172.5 | 0 | 0 | 0 | 111 | I111 I112 A117 A118 D119 | I111-L115 HydrophobicContact CG2-CD1 3.83Å; I111-L115 HydrophobicContact CG2-CG 4.28Å; I111-L115 WeakPolarHBondContact O-CB 3.39Å; I111-L115 WeakPolarHBondContact O-CG 3.22Å; I111-L115 PolarHBondContact O-N 3.04Å; I112-L115 PolarHBondContact O-N 3.31Å; L115-A117 VanDerWaalsContact C-N 3.33Å; L115-A117 PolarHBondContact O-N 3.49Å; L115-A118 CarbonylContact O-C 3.29Å; L115-A118 PolarHBondContact O-N 3.39Å; L115-A118 VanDerWaalsContact O-N 3.09Å; L115-D119 WeakPolarHBondContact O-CB 3.41Å; L115-D119 PolarHBondContact O-N 2.82Å |
| 116 | E | 80.8 | Confident | 75.4 | Confident | 141 Ų | 141 | 110 Ų | 110 | 66% | 0.659 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -63.4 | -39 | 175.4 | -172.2 | 173.2 | -164.4 | 0 | 0 | 111.8 | I112 A118 D119 A120 | I112-E116 WeakPolarHBondContact O-CB 3.4Å; I112-E116 PolarHBondContact O-N 3.44Å; E116-A118 VanDerWaalsContact C-N 3.28Å; E116-A118 PolarHBondContact O-N 2.94Å; E116-D119 PolarHBondContact O-N 3.25Å; E116-A120 WeakPolarHBondContact O-CB 3.29Å; E116-A120 PolarHBondContact O-N 3.46Å |
| 117 | A | 79.5 | Confident | 74.3 | Confident | 75 Ų | 75 | 109.4 Ų | 109.4 | 62% | 0.62 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -67.8 | -26 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A113 Q114 L115 | A113-A117 VanDerWaalsContact O-CB 3.3Å; A113-A117 WeakPolarHBondContact O-CB 3.35Å; A113-A117 PolarHBondContact O-N 2.97Å; Q114-A117 PolarHBondContact O-N 2.92Å; L115-A117 VanDerWaalsContact C-N 3.33Å; L115-A117 PolarHBondContact O-N 3.49Å |
| 118 | A | 73.6 | Confident | 73.2 | Confident | 72 Ų | 72 | 110.3 Ų | 110.3 | 60% | 0.595 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -85.2 | -34.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q114 L115 E116 | Q114-A118 WeakPolarHBondContact O-CB 3.44Å; Q114-A118 PolarHBondContact O-N 2.92Å; L115-A118 CarbonylContact O-C 3.29Å; L115-A118 PolarHBondContact O-N 3.39Å; L115-A118 VanDerWaalsContact O-N 3.09Å; E116-A118 VanDerWaalsContact C-N 3.28Å; E116-A118 PolarHBondContact O-N 2.94Å |
| 119 | D | 73.1 | Confident | 71.9 | Confident | 137 Ų | 137 | 112.7 Ų | 112.7 | 73% | 0.733 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -80.3 | -19.4 | 175.9 | -82.2 | -12.6 | 0 | 0 | 0 | 112.5 | L115 E116 P121 | L115-D119 WeakPolarHBondContact O-CB 3.41Å; L115-D119 PolarHBondContact O-N 2.82Å; E116-D119 PolarHBondContact O-N 3.25Å; D119-P121 VanDerWaalsContact O-N 3.09Å |
| 120 | A | 69.7 | Low | 71 | Confident | 49 Ų | 49 | 109.1 Ų | 109.1 | 41% | 0.405 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -50.1 | 121.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | E116 V122 | E116-A120 WeakPolarHBondContact O-CB 3.29Å; E116-A120 PolarHBondContact O-N 3.46Å; A120-V122 PolarHBondContact O-N 3.17Å |
| 121 | P | 63.8 | Low | 70.1 | Confident | 112 Ų | 112 | 107.1 Ų | 107.1 | 73% | 0.727 | 62% | 0.623 | S | S | * | * | trans | -58.5 | 114.4 | -175.7 | 24.3 | -32.5 | 0 | 0 | 0 | 105.8 | D119 I123 | D119-P121 VanDerWaalsContact O-N 3.09Å; P121-I123 PolarHBondContact O-N 3.4Å | ||
| 122 | V | 61.9 | Low | 69 | Low | 119 Ų | 119 | 109.5 Ų | 109.5 | 72% | 0.721 | 64% | 0.636 | S | S | * | * | trans | -55.3 | 104.3 | 169.6 | -178.6 | 0 | 0 | 0 | 0 | 103.6 | A120 V124 | A120-V122 PolarHBondContact O-N 3.17Å; V122-V124 HydrophobicContact CB-CG2 4.11Å; V122-V124 HydrophobicContact CG1-CG2 3.55Å; V122-V124 PolarHBondContact O-N 2.95Å | ||
| 123 | I | 57.9 | Low | 68.4 | Low | 145 Ų | 145 | 107 Ų | 107 | 74% | 0.744 | 63% | 0.631 | S | S | * | * | trans | -68.5 | 81 | 167.2 | -56.3 | 169.3 | 0 | 0 | 0 | 102.4 | P121 D125 | P121-I123 PolarHBondContact O-N 3.4Å; I123-D125 PolarHBondContact O-N 3.42Å | ||
| 124 | V | 57.9 | Low | 68 | Low | 94 Ų | 94 | 110.6 Ų | 110.6 | 57% | 0.57 | 65% | 0.65 | S | S | * | * | trans | -66.8 | 89.6 | 161.1 | -171.8 | 0 | 0 | 0 | 0 | 101.6 | V122 E126 | V122-V124 HydrophobicContact CB-CG2 4.11Å; V122-V124 HydrophobicContact CG1-CG2 3.55Å; V122-V124 PolarHBondContact O-N 2.95Å; V124-E126 VanDerWaalsContact C-N 3.26Å; V124-E126 PolarHBondContact O-N 2.94Å | ||
| 125 | D | 61.1 | Low | 67.8 | Low | 130 Ų | 130 | 110.5 Ų | 110.5 | 70% | 0.695 | 64% | 0.644 | S | S | * | * | trans | -46 | 110.2 | 152.6 | -84 | -14.9 | 0 | 0 | 0 | 103.9 | I123 V127 | I123-D125 PolarHBondContact O-N 3.42Å; D125-V127 VanDerWaalsContact C-N 3.26Å; D125-V127 VanDerWaalsContact O-CG2 3.29Å; D125-V127 WeakPolarHBondContact O-CG2 3.42Å; D125-V127 PolarHBondContact O-N 3.35Å | ||
| 126 | E | 57.2 | Low | 67.9 | Low | 174 Ų | 174 | 113.4 Ų | 113.4 | 81% | 0.813 | 65% | 0.652 | S | S | * | * | trans | -52 | 96.6 | -172.3 | -67.4 | 180 | 174.6 | 0 | 0 | 107.8 | V124 N128 | V124-E126 VanDerWaalsContact C-N 3.26Å; V124-E126 PolarHBondContact O-N 2.94Å; E126-N128 VanDerWaalsContact C-N 3.3Å; E126-N128 PolarHBondContact O-N 3.03Å | ||
| 127 | V | 60.3 | Low | 68 | Low | 86 Ų | 86 | 112.3 Ų | 112.3 | 52% | 0.521 | 66% | 0.657 | S | S | . | * | trans | -68.4 | 103.3 | 179.6 | -167.7 | 0 | 0 | 0 | 0 | 103.2 | D125 L129 L132 | D125-V127 VanDerWaalsContact C-N 3.26Å; D125-V127 VanDerWaalsContact O-CG2 3.29Å; D125-V127 WeakPolarHBondContact O-CG2 3.42Å; D125-V127 PolarHBondContact O-N 3.35Å; V127-L129 PolarHBondContact O-N 2.82Å; V127-L132 HydrophobicContact CG1-CD1 4.08Å | ||
| 128 | N | 61.6 | Low | 68.5 | Low | 120 Ų | 120 | 113 Ų | 113 | 64% | 0.642 | 65% | 0.651 | S | S | * | * | trans | -50.3 | 100.2 | -178.7 | -98.2 | -58.3 | 0 | 0 | 0 | 108.9 | E126 A130 S131 | E126-N128 VanDerWaalsContact C-N 3.3Å; E126-N128 PolarHBondContact O-N 3.03Å; N128-A130 PolarHBondContact O-N 3.35Å; N128-S131 WeakPolarHBondContact O-CB 3.35Å; N128-S131 PolarHBondContact O-N 2.74Å; N128-S131 PolarHBondContact O-OG 3.33Å | ||
| 129 | L | 59.1 | Low | 69.2 | Low | 147 Ų | 147 | 114.3 Ų | 114.3 | 77% | 0.77 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -59 | -23.2 | -174.3 | -65.2 | 168.7 | 0 | 0 | 0 | 111.6 | V127 S131 L132 A133 | V127-L129 PolarHBondContact O-N 2.82Å; L129-S131 PolarHBondContact O-N 3.03Å; L129-L132 PolarHBondContact O-N 2.65Å; L129-A133 PolarHBondContact O-N 2.74Å |
| 130 | A | 64.5 | Low | 69.9 | Low | 89 Ų | 89 | 112.6 Ų | 112.6 | 74% | 0.736 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -64.2 | -22.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | N128 | N128-A130 PolarHBondContact O-N 3.35Å |
| 131 | S | 64.7 | Low | 70.9 | Confident | 81 Ų | 81 | 115.8 Ų | 115.8 | 57% | 0.566 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -87.2 | -26.2 | 177.5 | 73.1 | 0 | 0 | 0 | 0 | 113.5 | N128 L129 | N128-S131 WeakPolarHBondContact O-CB 3.35Å; N128-S131 PolarHBondContact O-N 2.74Å; N128-S131 PolarHBondContact O-OG 3.33Å; L129-S131 PolarHBondContact O-N 3.03Å |
| 132 | L | 63.6 | Low | 72.1 | Confident | 130 Ų | 130 | 116.8 Ų | 116.8 | 68% | 0.681 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -84.1 | -16.2 | 175.8 | -115.7 | 82.6 | 0 | 0 | 0 | 113 | V127 L129 | V127-L132 HydrophobicContact CG1-CD1 4.08Å; L129-L132 PolarHBondContact O-N 2.65Å |
| 133 | A | 72.9 | Confident | 73.4 | Confident | 50 Ų | 50 | 118 Ų | 118 | 41% | 0.413 | 63% | 0.625 | S | S | . | * | S | Bend | trans | -56.8 | 140 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | L129 R135 | L129-A133 PolarHBondContact O-N 2.74Å; A133-R135 PolarHBondContact O-N 2.82Å |
| 134 | P | 77.9 | Confident | 75 | Confident | 133 Ų | 133 | 113.3 Ų | 113.3 | 86% | 0.864 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 117.8 | 175.5 | -24.4 | 32.6 | 0 | 0 | 0 | 110.3 | ||
| 135 | R | 80.7 | Confident | 76.6 | Confident | 136 Ų | 136 | 111.4 Ų | 111.4 | 51% | 0.513 | 60% | 0.601 | S | S | . | * | P | Polyproline II helix | trans | -74.3 | 154.1 | 178.8 | -61.1 | 178.5 | 81 | 156.9 | 13.5 | 109.5 | A133 W139 | A133-R135 PolarHBondContact O-N 2.82Å; R135-W139 HydrophobicContact CB-CB 3.9Å; R135-W139 VanDerWaalsContact CB-CD1 3.5Å; R135-W139 HydrophobicContact CB-CD2 3.89Å; R135-W139 HydrophobicContact CB-CG 3.45Å; R135-W139 VanDerWaalsContact CB-CG 3.45Å; R135-W139 HydrophobicContact CG-CD2 4.33Å; R135-W139 HydrophobicContact CG-CG 4.34Å; R135-W139 VanDerWaalsContact NH1-CE3 3.27Å |
| 136 | K | 83.7 | Confident | 78.2 | Confident | 161 Ų | 161 | 110.5 Ų | 110.5 | 70% | 0.7 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 136.8 | 173.8 | -65.7 | -172.5 | 176.7 | -178.8 | 0 | 109.5 | D138 W139 | K136-D138 PolarHBondContact O-N 2.87Å; K136-W139 WeakPolarHBondContact O-CB 3.47Å; K136-W139 PolarHBondContact O-N 3.49Å |
| 137 | P | 83.5 | Confident | 79.8 | Confident | 119 Ų | 119 | 109 Ų | 109 | 77% | 0.773 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.5 | -29.1 | -175.2 | 20.6 | -33.3 | 0 | 0 | 0 | 114 | W139 | P137-W139 VanDerWaalsContact C-N 3.28Å; P137-W139 PolarHBondContact O-N 2.86Å |
| 138 | D | 89.3 | Confident | 81.5 | Confident | 90 Ų | 90 | 112.5 Ų | 112.5 | 48% | 0.481 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.1 | -1.5 | 178.1 | -48.1 | -30.7 | 0 | 0 | 0 | 114.7 | K136 D140 L141 K142 | K136-D138 PolarHBondContact O-N 2.87Å; D138-D140 VanDerWaalsContact C-N 3.26Å; D138-D140 PolarHBondContact O-N 2.92Å; D138-L141 PolarHBondContact O-N 3.49Å; D138-K142 WeakPolarHBondContact O-CG 3.28Å; D138-K142 PolarHBondContact O-N 2.87Å |
| 139 | W | 89.6 | Confident | 83.1 | Confident | 99 Ų | 99 | 110.9 Ų | 110.9 | 38% | 0.375 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.5 | -35.6 | -172.5 | 77.7 | -78.9 | 0 | 0 | 0 | 112.8 | R135 K136 P137 R143 | R135-W139 HydrophobicContact CB-CB 3.9Å; R135-W139 VanDerWaalsContact CB-CD1 3.5Å; R135-W139 HydrophobicContact CB-CD2 3.89Å; R135-W139 HydrophobicContact CB-CG 3.45Å; R135-W139 VanDerWaalsContact CB-CG 3.45Å; R135-W139 HydrophobicContact CG-CD2 4.33Å; R135-W139 HydrophobicContact CG-CG 4.34Å; R135-W139 VanDerWaalsContact NH1-CE3 3.27Å; K136-W139 WeakPolarHBondContact O-CB 3.47Å; K136-W139 PolarHBondContact O-N 3.49Å; P137-W139 VanDerWaalsContact C-N 3.28Å; P137-W139 PolarHBondContact O-N 2.86Å; W139-R143 PolarHBondContact O-N 3.42Å |
| 140 | D | 88 | Confident | 84.7 | Confident | 101 Ų | 101 | 110.1 Ų | 110.1 | 54% | 0.54 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -76.2 | -42 | 180 | -170.2 | 49.9 | 0 | 0 | 0 | 110.8 | D138 K142 R143 G144 | D138-D140 VanDerWaalsContact C-N 3.26Å; D138-D140 PolarHBondContact O-N 2.92Å; D140-K142 VanDerWaalsContact C-N 3.34Å; D140-K142 PolarHBondContact O-N 3.38Å; D140-R143 WeakPolarHBondContact O-CB 3.41Å; D140-R143 PolarHBondContact O-N 2.91Å; D140-R143 VanDerWaalsContact O-N 3.17Å; D140-G144 PolarHBondContact O-N 2.74Å |
| 141 | L | 90.2 | Very high | 86.1 | Confident | 115 Ų | 115 | 112 Ų | 112 | 60% | 0.602 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -58.6 | -46.4 | 174 | -174.7 | 62.7 | 0 | 0 | 0 | 111.1 | D138 R143 G144 V145 | D138-L141 PolarHBondContact O-N 3.49Å; L141-R143 VanDerWaalsContact C-N 3.34Å; L141-R143 PolarHBondContact O-N 3.25Å; L141-G144 PolarHBondContact O-N 2.7Å; L141-V145 HydrophobicContact CD1-CG2 3.75Å; L141-V145 HydrophobicContact CG-CG2 4.14Å; L141-V145 VanDerWaalsContact O-CB 3.22Å; L141-V145 WeakPolarHBondContact O-CB 3.31Å; L141-V145 WeakPolarHBondContact O-CG2 3.41Å; L141-V145 PolarHBondContact O-N 2.84Å |
| 142 | K | 88.2 | Confident | 87.6 | Confident | 133 Ų | 133 | 112.8 Ų | 112.8 | 58% | 0.578 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -57.6 | -47.1 | 175.9 | -74.4 | -178.4 | -179 | -172.2 | 0 | 111.3 | D138 D140 G144 V145 E146 | D138-K142 WeakPolarHBondContact O-CG 3.28Å; D138-K142 PolarHBondContact O-N 2.87Å; D140-K142 VanDerWaalsContact C-N 3.34Å; D140-K142 PolarHBondContact O-N 3.38Å; K142-G144 PolarHBondContact O-N 3.08Å; K142-V145 PolarHBondContact O-N 3.45Å; K142-E146 WeakPolarHBondContact O-CB 3.33Å; K142-E146 PolarHBondContact O-N 2.93Å |
| 143 | R | 89.3 | Confident | 89.2 | Confident | 144 Ų | 144 | 111.7 Ų | 111.7 | 54% | 0.543 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -59.2 | -45.2 | 179.8 | -175.7 | -174 | -61.3 | -116.4 | -11.7 | 112.5 | W139 D140 L141 | W139-R143 PolarHBondContact O-N 3.42Å; D140-R143 WeakPolarHBondContact O-CB 3.41Å; D140-R143 PolarHBondContact O-N 2.91Å; D140-R143 VanDerWaalsContact O-N 3.17Å; L141-R143 VanDerWaalsContact C-N 3.34Å; L141-R143 PolarHBondContact O-N 3.25Å |
| 144 | G | 91 | Very high | 90.3 | Very high | 48 Ų | 48 | 116 Ų | 116 | 50% | 0.495 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -70.2 | -38.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | D140 L141 K142 | D140-G144 PolarHBondContact O-N 2.74Å; L141-G144 PolarHBondContact O-N 2.7Å; K142-G144 PolarHBondContact O-N 3.08Å |
| 145 | V | 93.3 | Very high | 91.2 | Very high | 53 Ų | 53 | 118 Ų | 118 | 32% | 0.321 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -80.6 | -29.8 | -175.8 | 173.9 | 0 | 0 | 0 | 0 | 112.3 | L141 K142 K147 K148 L149 | L141-V145 HydrophobicContact CD1-CG2 3.75Å; L141-V145 HydrophobicContact CG-CG2 4.14Å; L141-V145 VanDerWaalsContact O-CB 3.22Å; L141-V145 WeakPolarHBondContact O-CB 3.31Å; L141-V145 WeakPolarHBondContact O-CG2 3.41Å; L141-V145 PolarHBondContact O-N 2.84Å; K142-V145 PolarHBondContact O-N 3.45Å; V145-K147 VanDerWaalsContact C-N 3.31Å; V145-K147 PolarHBondContact O-N 3.35Å; V145-K148 CarbonylContact O-C 3.59Å; V145-K148 WeakPolarHBondContact O-CA 3.4Å; V145-K148 WeakPolarHBondContact O-CB 3.3Å; V145-K148 PolarHBondContact O-N 3.33Å; V145-L149 HydrophobicContact CG1-CD1 3.66Å; V145-L149 HydrophobicContact CG1-CD2 4.47Å; V145-L149 HydrophobicContact CG1-CG 3.66Å; V145-L149 PolarHBondContact O-N 3.03Å |
| 146 | E | 93.4 | Very high | 92 | Very high | 112 Ų | 112 | 114.7 Ų | 114.7 | 52% | 0.523 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -52.3 | -46 | -178.2 | -171.9 | 59.4 | -139.6 | 0 | 0 | 112.5 | K142 K148 L149 R150 | K142-E146 WeakPolarHBondContact O-CB 3.33Å; K142-E146 PolarHBondContact O-N 2.93Å; E146-K148 VanDerWaalsContact C-N 3.27Å; E146-K148 PolarHBondContact O-N 3.5Å; E146-L149 PolarHBondContact O-N 3.03Å; E146-R150 WeakPolarHBondContact O-CB 3.25Å; E146-R150 PolarHBondContact O-N 3.42Å |
| 147 | K | 92.3 | Very high | 92.6 | Very high | 143 Ų | 143 | 112.2 Ų | 112.2 | 62% | 0.622 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.2 | -33.7 | 179 | -173 | 176.7 | -179 | 178.4 | 0 | 112.4 | V145 | V145-K147 VanDerWaalsContact C-N 3.31Å; V145-K147 PolarHBondContact O-N 3.35Å |
| 148 | K | 94.6 | Very high | 93.3 | Very high | 158 Ų | 158 | 114.2 Ų | 114.2 | 69% | 0.687 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -76.7 | -45.5 | 177.7 | -64.8 | 179.8 | -179.4 | 176.5 | 0 | 110.5 | V145 E146 R150 K151 L152 | V145-K148 CarbonylContact O-C 3.59Å; V145-K148 WeakPolarHBondContact O-CA 3.4Å; V145-K148 WeakPolarHBondContact O-CB 3.3Å; V145-K148 PolarHBondContact O-N 3.33Å; E146-K148 VanDerWaalsContact C-N 3.27Å; E146-K148 PolarHBondContact O-N 3.5Å; K148-R150 PolarHBondContact O-N 2.9Å; K148-K151 PolarHBondContact O-N 3.3Å; K148-K151 VanDerWaalsContact O-N 3.16Å; K148-L152 PolarHBondContact O-N 2.9Å |
| 149 | L | 95 | Very high | 93.7 | Very high | 87 Ų | 87 | 112 Ų | 112 | 46% | 0.455 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58 | -46.1 | 175.8 | -75.3 | 176.5 | 0 | 0 | 0 | 111.6 | V145 E146 K151 L152 E153 | V145-L149 HydrophobicContact CG1-CD1 3.66Å; V145-L149 HydrophobicContact CG1-CD2 4.47Å; V145-L149 HydrophobicContact CG1-CG 3.66Å; V145-L149 PolarHBondContact O-N 3.03Å; E146-L149 PolarHBondContact O-N 3.03Å; L149-K151 VanDerWaalsContact C-N 3.25Å; L149-K151 PolarHBondContact O-N 3.46Å; L149-L152 CarbonylContact O-C 3.6Å; L149-L152 PolarHBondContact O-N 3.5Å; L149-E153 VanDerWaalsContact O-CB 3.31Å; L149-E153 WeakPolarHBondContact O-CB 3.45Å; L149-E153 PolarHBondContact O-N 3.09Å |
| 150 | R | 93.4 | Very high | 94 | Very high | 130 Ų | 130 | 111.6 Ų | 111.6 | 49% | 0.491 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -57.2 | -36 | 176.8 | -169.2 | -177.8 | 71.6 | 168.9 | 2.3 | 113.5 | E146 K148 R154 | E146-R150 WeakPolarHBondContact O-CB 3.25Å; E146-R150 PolarHBondContact O-N 3.42Å; K148-R150 PolarHBondContact O-N 2.9Å; R150-R154 WeakPolarHBondContact O-CG 3.33Å; R150-R154 PolarHBondContact O-N 3.45Å |
| 151 | K | 94.5 | Very high | 94.5 | Very high | 128 Ų | 128 | 108.4 Ų | 108.4 | 56% | 0.557 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -72.8 | -41.8 | 175.8 | -73.3 | -178.1 | 178.5 | -174 | 0 | 111.4 | K148 L149 R155 | K148-K151 PolarHBondContact O-N 3.3Å; K148-K151 VanDerWaalsContact O-N 3.16Å; L149-K151 VanDerWaalsContact C-N 3.25Å; L149-K151 PolarHBondContact O-N 3.46Å; K151-R155 PolarHBondContact O-N 2.86Å |
| 152 | L | 96.4 | Very high | 94.7 | Very high | 99 Ų | 99 | 108 Ų | 108 | 52% | 0.518 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65 | -50.9 | 179 | -174.3 | 60.2 | 0 | 0 | 0 | 110.2 | K148 L149 R154 R155 T156 | K148-L152 PolarHBondContact O-N 2.9Å; L149-L152 CarbonylContact O-C 3.6Å; L149-L152 PolarHBondContact O-N 3.5Å; L152-R154 VanDerWaalsContact C-N 3.29Å; L152-R154 PolarHBondContact O-N 2.9Å; L152-R155 CarbonylContact O-C 3.58Å; L152-R155 WeakPolarHBondContact O-CA 3.25Å; L152-R155 WeakPolarHBondContact O-CB 3.27Å; L152-R155 PolarHBondContact O-N 3.44Å; L152-T156 PolarHBondContact O-N 3.22Å; L152-T156 PolarHBondContact O-OG1 3.4Å |
| 153 | E | 95.9 | Very high | 95.1 | Very high | 106 Ų | 106 | 106.9 Ų | 106.9 | 50% | 0.495 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -51.9 | -44.1 | 177.7 | -174.4 | -178.2 | -169.2 | 0 | 0 | 112.3 | L149 R155 T156 Q157 | L149-E153 VanDerWaalsContact O-CB 3.31Å; L149-E153 WeakPolarHBondContact O-CB 3.45Å; L149-E153 PolarHBondContact O-N 3.09Å; E153-R155 VanDerWaalsContact C-N 3.32Å; E153-R155 PolarHBondContact O-N 2.84Å; E153-T156 PolarHBondContact O-N 3.04Å; E153-Q157 WeakPolarHBondContact O-CB 3.34Å; E153-Q157 VanDerWaalsContact O-CG 3.29Å; E153-Q157 WeakPolarHBondContact O-CG 3.34Å; E153-Q157 PolarHBondContact O-N 2.82Å |
| 154 | R | 96.3 | Very high | 95.4 | Very high | 142 Ų | 142 | 105.1 Ų | 105.1 | 54% | 0.536 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.7 | -36.2 | 174.2 | -75 | 178.2 | 178 | -173.5 | -2.2 | 113.4 | R150 L152 R158 | R150-R154 WeakPolarHBondContact O-CG 3.33Å; R150-R154 PolarHBondContact O-N 3.45Å; L152-R154 VanDerWaalsContact C-N 3.29Å; L152-R154 PolarHBondContact O-N 2.9Å; R154-R158 WeakPolarHBondContact O-CG 3.46Å; R154-R158 PolarHBondContact O-N 2.84Å |
| 155 | R | 96.8 | Very high | 95.6 | Very high | 174 Ų | 174 | 110.9 Ų | 110.9 | 66% | 0.657 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -73.2 | -40.2 | 175.4 | -67.8 | 176 | 177.2 | 176.5 | -3.6 | 110.7 | K151 L152 E153 R158 A159 | K151-R155 PolarHBondContact O-N 2.86Å; L152-R155 CarbonylContact O-C 3.58Å; L152-R155 WeakPolarHBondContact O-CA 3.25Å; L152-R155 WeakPolarHBondContact O-CB 3.27Å; L152-R155 PolarHBondContact O-N 3.44Å; E153-R155 VanDerWaalsContact C-N 3.32Å; E153-R155 PolarHBondContact O-N 2.84Å; R155-R158 WeakPolarHBondContact O-CB 3.49Å; R155-R158 PolarHBondContact O-N 3.46Å; R155-A159 PolarHBondContact O-N 2.93Å |
| 156 | T | 97.4 | Very high | 95.6 | Very high | 67 Ų | 67 | 113.6 Ų | 113.6 | 41% | 0.411 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 176 | -31.9 | 0 | 0 | 0 | 0 | 110.9 | L152 E153 R158 A159 I160 | L152-T156 PolarHBondContact O-N 3.22Å; L152-T156 PolarHBondContact O-OG1 3.4Å; E153-T156 PolarHBondContact O-N 3.04Å; T156-R158 VanDerWaalsContact C-N 3.31Å; T156-R158 PolarHBondContact O-N 3.34Å; T156-A159 PolarHBondContact O-N 3.37Å; T156-I160 HydrophobicContact CG2-CD1 4.17Å; T156-I160 WeakPolarHBondContact O-CB 3.18Å; T156-I160 WeakPolarHBondContact O-CD1 3.34Å; T156-I160 WeakPolarHBondContact O-CG1 3.49Å; T156-I160 PolarHBondContact O-N 3.33Å |
| 157 | Q | 97.4 | Very high | 95.6 | Very high | 109 Ų | 109 | 117.1 Ų | 117.1 | 51% | 0.509 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60 | -39.2 | 174.5 | -74.7 | 173.9 | -1.6 | 0 | 0 | 112.1 | E153 A161 | E153-Q157 WeakPolarHBondContact O-CB 3.34Å; E153-Q157 VanDerWaalsContact O-CG 3.29Å; E153-Q157 WeakPolarHBondContact O-CG 3.34Å; E153-Q157 PolarHBondContact O-N 2.82Å; Q157-A161 WeakPolarHBondContact O-CB 3.49Å; Q157-A161 PolarHBondContact O-N 2.86Å |
| 158 | R | 97.2 | Very high | 95.6 | Very high | 160 Ų | 160 | 115.9 Ų | 115.9 | 60% | 0.604 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66 | -47.7 | 174.6 | -75.1 | 176.3 | -175.4 | 139.5 | -2.3 | 112.5 | R154 R155 T156 I160 A161 E162 | R154-R158 WeakPolarHBondContact O-CG 3.46Å; R154-R158 PolarHBondContact O-N 2.84Å; R155-R158 WeakPolarHBondContact O-CB 3.49Å; R155-R158 PolarHBondContact O-N 3.46Å; T156-R158 VanDerWaalsContact C-N 3.31Å; T156-R158 PolarHBondContact O-N 3.34Å; R158-I160 VanDerWaalsContact C-N 3.33Å; R158-I160 PolarHBondContact O-N 3.5Å; R158-A161 WeakPolarHBondContact O-CB 3.41Å; R158-A161 PolarHBondContact O-N 3.42Å; R158-A161 VanDerWaalsContact O-N 3.13Å; R158-E162 WeakPolarHBondContact O-CG 3.44Å; R158-E162 PolarHBondContact O-N 3.15Å |
| 159 | A | 97.3 | Very high | 95.4 | Very high | 44 Ų | 44 | 113.7 Ų | 113.7 | 36% | 0.364 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.6 | -41.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | R155 T156 A161 E162 L163 | R155-A159 PolarHBondContact O-N 2.93Å; T156-A159 PolarHBondContact O-N 3.37Å; A159-A161 VanDerWaalsContact C-N 3.34Å; A159-A161 PolarHBondContact O-N 3.24Å; A159-E162 PolarHBondContact O-N 3.02Å; A159-L163 WeakPolarHBondContact O-CB 3.42Å; A159-L163 WeakPolarHBondContact O-CG 3.37Å; A159-L163 PolarHBondContact O-N 2.9Å |
| 160 | I | 96.8 | Very high | 95.1 | Very high | 90 Ų | 90 | 115.3 Ų | 115.3 | 46% | 0.462 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 173.4 | -70.2 | 165.3 | 0 | 0 | 0 | 110.4 | T156 R158 E162 L163 I164 | T156-I160 HydrophobicContact CG2-CD1 4.17Å; T156-I160 WeakPolarHBondContact O-CB 3.18Å; T156-I160 WeakPolarHBondContact O-CD1 3.34Å; T156-I160 WeakPolarHBondContact O-CG1 3.49Å; T156-I160 PolarHBondContact O-N 3.33Å; R158-I160 VanDerWaalsContact C-N 3.33Å; R158-I160 PolarHBondContact O-N 3.5Å; I160-E162 PolarHBondContact O-N 2.84Å; I160-L163 PolarHBondContact O-N 3.42Å; I160-I164 HydrophobicContact CG2-CD1 3.75Å; I160-I164 HydrophobicContact CG2-CG1 4.47Å; I160-I164 VanDerWaalsContact O-CG1 3.23Å; I160-I164 WeakPolarHBondContact O-CG1 3.38Å; I160-I164 PolarHBondContact O-N 3.43Å |
| 161 | A | 97 | Very high | 94.7 | Very high | 34 Ų | 34 | 112.3 Ų | 112.3 | 28% | 0.281 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65 | -37.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q157 R158 A159 R165 | Q157-A161 WeakPolarHBondContact O-CB 3.49Å; Q157-A161 PolarHBondContact O-N 2.86Å; R158-A161 WeakPolarHBondContact O-CB 3.41Å; R158-A161 PolarHBondContact O-N 3.42Å; R158-A161 VanDerWaalsContact O-N 3.13Å; A159-A161 VanDerWaalsContact C-N 3.34Å; A159-A161 PolarHBondContact O-N 3.24Å; A161-R165 WeakPolarHBondContact O-CG 3.29Å; A161-R165 PolarHBondContact O-N 3.23Å; A161-R165 VanDerWaalsContact O-N 3.09Å |
| 162 | E | 96 | Very high | 93.9 | Very high | 108 Ų | 108 | 108.7 Ų | 108.7 | 51% | 0.505 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.2 | -49.6 | 174.1 | -76.2 | 166 | -170 | 0 | 0 | 111.4 | R158 A159 I160 I164 R165 E166 | R158-E162 WeakPolarHBondContact O-CG 3.44Å; R158-E162 PolarHBondContact O-N 3.15Å; A159-E162 PolarHBondContact O-N 3.02Å; I160-E162 PolarHBondContact O-N 2.84Å; E162-I164 VanDerWaalsContact C-N 3.29Å; E162-I164 PolarHBondContact O-N 2.92Å; E162-R165 WeakPolarHBondContact O-CA 3.02Å; E162-R165 WeakPolarHBondContact O-CB 3.34Å; E162-R165 PolarHBondContact O-N 2.8Å; E162-E166 PolarHBondContact O-N 3.03Å |
| 163 | L | 96.6 | Very high | 92.8 | Very high | 109 Ų | 109 | 106.3 Ų | 106.3 | 57% | 0.571 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -58.8 | -38.7 | 176.5 | -72.2 | 171.8 | 0 | 0 | 0 | 112.6 | A159 I160 R167 | A159-L163 WeakPolarHBondContact O-CB 3.42Å; A159-L163 WeakPolarHBondContact O-CG 3.37Å; A159-L163 PolarHBondContact O-N 2.9Å; I160-L163 PolarHBondContact O-N 3.42Å; L163-R167 WeakPolarHBondContact O-CB 3.5Å; L163-R167 PolarHBondContact O-N 3.49Å |
| 164 | I | 95.3 | Very high | 91.5 | Very high | 107 Ų | 107 | 106 Ų | 106 | 55% | 0.549 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.9 | -39.9 | 174.8 | -68.9 | 166.8 | 0 | 0 | 0 | 110.9 | I160 E162 L168 | I160-I164 HydrophobicContact CG2-CD1 3.75Å; I160-I164 HydrophobicContact CG2-CG1 4.47Å; I160-I164 VanDerWaalsContact O-CG1 3.23Å; I160-I164 WeakPolarHBondContact O-CG1 3.38Å; I160-I164 PolarHBondContact O-N 3.43Å; E162-I164 VanDerWaalsContact C-N 3.29Å; E162-I164 PolarHBondContact O-N 2.92Å; I164-L168 WeakPolarHBondContact O-CB 3.34Å; I164-L168 PolarHBondContact O-N 3.15Å |
| 165 | R | 94.1 | Very high | 89.9 | Confident | 169 Ų | 169 | 102.1 Ų | 102.1 | 64% | 0.638 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.6 | -44.6 | 177.3 | -76.6 | 179.3 | -171.1 | 121.8 | -0.7 | 112 | A161 E162 L168 L169 | A161-R165 WeakPolarHBondContact O-CG 3.29Å; A161-R165 PolarHBondContact O-N 3.23Å; A161-R165 VanDerWaalsContact O-N 3.09Å; E162-R165 WeakPolarHBondContact O-CA 3.02Å; E162-R165 WeakPolarHBondContact O-CB 3.34Å; E162-R165 PolarHBondContact O-N 2.8Å; R165-L168 PolarHBondContact O-N 2.73Å; R165-L169 WeakPolarHBondContact O-CB 2.93Å; R165-L169 PolarHBondContact O-N 3.05Å |
| 166 | E | 93.8 | Very high | 88.4 | Confident | 110 Ų | 110 | 98.1 Ų | 98.1 | 51% | 0.514 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.1 | -50 | 176.3 | -72.3 | 173.8 | 175.8 | 0 | 0 | 110.5 | E162 L168 L169 E170 | E162-E166 PolarHBondContact O-N 3.03Å; E166-L168 VanDerWaalsContact C-N 3.3Å; E166-L168 PolarHBondContact O-N 3.07Å; E166-L169 WeakPolarHBondContact O-CB 2.97Å; E166-L169 PolarHBondContact O-N 2.73Å; E166-L169 VanDerWaalsContact O-N 3.11Å; E166-E170 WeakPolarHBondContact O-CG 3.4Å; E166-E170 PolarHBondContact O-N 3.03Å |
| 167 | R | 93.5 | Very high | 86.7 | Confident | 186 Ų | 186 | 100.1 Ų | 100.1 | 70% | 0.702 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.4 | -40.6 | 177.6 | -170 | 179.6 | -175.1 | -150.2 | 0.2 | 112.4 | L163 T171 | L163-R167 WeakPolarHBondContact O-CB 3.5Å; L163-R167 PolarHBondContact O-N 3.49Å; R167-T171 WeakPolarHBondContact O-CG2 3.31Å; R167-T171 PolarHBondContact O-N 2.97Å; R167-T171 PolarHBondContact O-OG1 3.43Å; R167-T171 VanDerWaalsContact O-OG1 3.11Å |
| 168 | L | 92.7 | Very high | 84.9 | Confident | 117 Ų | 117 | 99.3 Ų | 99.3 | 61% | 0.613 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.9 | -39.5 | 177.5 | -170.1 | 65.5 | 0 | 0 | 0 | 111.4 | I164 R165 E166 T171 S172 | I164-L168 WeakPolarHBondContact O-CB 3.34Å; I164-L168 PolarHBondContact O-N 3.15Å; R165-L168 PolarHBondContact O-N 2.73Å; E166-L168 VanDerWaalsContact C-N 3.3Å; E166-L168 PolarHBondContact O-N 3.07Å; L168-T171 WeakPolarHBondContact CA-OG1 3.49Å; L168-T171 PolarHBondContact O-OG1 3.45Å; L168-S172 WeakPolarHBondContact O-CB 3.47Å; L168-S172 PolarHBondContact O-N 2.91Å; L168-S172 PolarHBondContact O-OG 3.02Å |
| 169 | L | 90.7 | Very high | 83.2 | Confident | 111 Ų | 111 | 100.2 Ų | 100.2 | 58% | 0.581 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63 | -50.8 | 176.4 | -175.6 | 65.1 | 0 | 0 | 0 | 111 | R165 E166 T171 S172 V173 | R165-L169 WeakPolarHBondContact O-CB 2.93Å; R165-L169 PolarHBondContact O-N 3.05Å; E166-L169 WeakPolarHBondContact O-CB 2.97Å; E166-L169 PolarHBondContact O-N 2.73Å; E166-L169 VanDerWaalsContact O-N 3.11Å; L169-T171 PolarHBondContact O-N 3.05Å; L169-S172 WeakPolarHBondContact CA-OG 3.3Å; L169-S172 PolarHBondContact O-N 3.3Å; L169-S172 VanDerWaalsContact O-N 3.08Å; L169-S172 PolarHBondContact O-OG 2.72Å; L169-V173 HydrophobicContact CD1-CG2 4.12Å; L169-V173 HydrophobicContact CG-CG2 4.28Å; L169-V173 VanDerWaalsContact O-CG2 3.3Å; L169-V173 WeakPolarHBondContact O-CG2 3.44Å; L169-V173 PolarHBondContact O-N 2.59Å |
| 170 | E | 87.6 | Confident | 81.7 | Confident | 121 Ų | 121 | 100.6 Ų | 100.6 | 57% | 0.565 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -53.5 | -51.4 | 175.6 | -71.1 | 171.4 | 175.6 | 0 | 0 | 111 | E166 S172 V173 D174 | E166-E170 WeakPolarHBondContact O-CG 3.4Å; E166-E170 PolarHBondContact O-N 3.03Å; E170-S172 VanDerWaalsContact C-N 3.27Å; E170-S172 PolarHBondContact O-N 3.24Å; E170-V173 PolarHBondContact O-N 3.47Å; E170-D174 WeakPolarHBondContact O-CB 3.26Å; E170-D174 VanDerWaalsContact O-CG 3.23Å; E170-D174 PolarHBondContact O-N 3.45Å |
| 171 | T | 84.4 | Confident | 80.1 | Confident | 67 Ų | 67 | 101.6 Ų | 101.6 | 41% | 0.411 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.2 | -30.5 | 178.8 | 59.9 | 0 | 0 | 0 | 0 | 113.6 | R167 L168 L169 S175 | R167-T171 WeakPolarHBondContact O-CG2 3.31Å; R167-T171 PolarHBondContact O-N 2.97Å; R167-T171 PolarHBondContact O-OG1 3.43Å; R167-T171 VanDerWaalsContact O-OG1 3.11Å; L168-T171 WeakPolarHBondContact CA-OG1 3.49Å; L168-T171 PolarHBondContact O-OG1 3.45Å; L169-T171 PolarHBondContact O-N 3.05Å; T171-S175 VanDerWaalsContact O-CB 3.32Å; T171-S175 WeakPolarHBondContact O-CB 3.2Å; T171-S175 PolarHBondContact O-N 3.39Å; T171-S175 PolarHBondContact O-OG 2.74Å |
| 172 | S | 78.8 | Confident | 78.4 | Confident | 52 Ų | 52 | 106.4 Ų | 106.4 | 36% | 0.364 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -79.1 | -34.8 | 177.7 | 73.9 | 0 | 0 | 0 | 0 | 113.1 | L168 L169 E170 T176 | L168-S172 WeakPolarHBondContact O-CB 3.47Å; L168-S172 PolarHBondContact O-N 2.91Å; L168-S172 PolarHBondContact O-OG 3.02Å; L169-S172 WeakPolarHBondContact CA-OG 3.3Å; L169-S172 PolarHBondContact O-N 3.3Å; L169-S172 VanDerWaalsContact O-N 3.08Å; L169-S172 PolarHBondContact O-OG 2.72Å; E170-S172 VanDerWaalsContact C-N 3.27Å; E170-S172 PolarHBondContact O-N 3.24Å; S172-T176 WeakPolarHBondContact O-CG2 3.39Å; S172-T176 PolarHBondContact O-N 3.08Å; S172-T176 PolarHBondContact O-OG1 2.82Å; S172-T176 VanDerWaalsContact O-OG1 3.06Å |
| 173 | V | 74 | Confident | 77 | Confident | 50 Ų | 50 | 105.3 Ų | 105.3 | 30% | 0.303 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -71.7 | -46.7 | 176.7 | 174.7 | 0 | 0 | 0 | 0 | 109.3 | L169 E170 S175 T176 E177 | L169-V173 HydrophobicContact CD1-CG2 4.12Å; L169-V173 HydrophobicContact CG-CG2 4.28Å; L169-V173 VanDerWaalsContact O-CG2 3.3Å; L169-V173 WeakPolarHBondContact O-CG2 3.44Å; L169-V173 PolarHBondContact O-N 2.59Å; E170-V173 PolarHBondContact O-N 3.47Å; V173-S175 VanDerWaalsContact C-N 3.25Å; V173-S175 PolarHBondContact O-N 3.13Å; V173-T176 PolarHBondContact O-N 3.23Å; V173-T176 PolarHBondContact O-OG1 3.33Å; V173-T176 VanDerWaalsContact O-OG1 3.07Å; V173-E177 HydrophobicContact CG1-CG 4.08Å; V173-E177 WeakPolarHBondContact CG1-OE1 3.16Å; V173-E177 WeakPolarHBondContact O-CB 3.41Å; V173-E177 WeakPolarHBondContact O-CG 3.48Å; V173-E177 PolarHBondContact O-N 3.02Å |
| 174 | D | 67.3 | Low | 75.3 | Confident | 99 Ų | 99 | 108.8 Ų | 108.8 | 53% | 0.529 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -58.7 | -39.7 | 175 | -68.5 | -14.1 | 0 | 0 | 0 | 111.5 | E170 T178 | E170-D174 WeakPolarHBondContact O-CB 3.26Å; E170-D174 VanDerWaalsContact O-CG 3.23Å; E170-D174 PolarHBondContact O-N 3.45Å; D174-T178 WeakPolarHBondContact O-CB 3.22Å; D174-T178 WeakPolarHBondContact O-CG2 3.09Å; D174-T178 PolarHBondContact O-N 3.33Å; D174-T178 VanDerWaalsContact O-N 3.11Å; D174-T178 PolarHBondContact O-OG1 2.72Å |
| 175 | S | 64.2 | Low | 73.8 | Confident | 60 Ų | 60 | 108.4 Ų | 108.4 | 42% | 0.42 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.7 | -44.4 | 174.8 | -62 | 0 | 0 | 0 | 0 | 111.6 | T171 V173 T178 Y179 | T171-S175 VanDerWaalsContact O-CB 3.32Å; T171-S175 WeakPolarHBondContact O-CB 3.2Å; T171-S175 PolarHBondContact O-N 3.39Å; T171-S175 PolarHBondContact O-OG 2.74Å; V173-S175 VanDerWaalsContact C-N 3.25Å; V173-S175 PolarHBondContact O-N 3.13Å; S175-T178 PolarHBondContact O-OG1 3.23Å; S175-Y179 WeakPolarHBondContact O-CD2 3.34Å; S175-Y179 WeakPolarHBondContact O-CE2 3.15Å; S175-Y179 PolarHBondContact O-N 3.07Å |
| 176 | T | 64.2 | Low | 72.2 | Confident | 91 Ų | 91 | 106.4 Ų | 106.4 | 56% | 0.558 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -75.5 | -34.9 | -178 | 53.7 | 0 | 0 | 0 | 0 | 113.4 | S172 V173 Y179 A180 | S172-T176 WeakPolarHBondContact O-CG2 3.39Å; S172-T176 PolarHBondContact O-N 3.08Å; S172-T176 PolarHBondContact O-OG1 2.82Å; S172-T176 VanDerWaalsContact O-OG1 3.06Å; V173-T176 PolarHBondContact O-N 3.23Å; V173-T176 PolarHBondContact O-OG1 3.33Å; V173-T176 VanDerWaalsContact O-OG1 3.07Å; T176-Y179 PolarHBondContact O-N 3.1Å; T176-A180 WeakPolarHBondContact O-CB 3.27Å; T176-A180 PolarHBondContact O-N 3.11Å |
| 177 | E | 61 | Low | 70 | Confident | 109 Ų | 109 | 113.4 Ų | 113.4 | 51% | 0.509 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -69.5 | -35.3 | 176.6 | -72.6 | -175.3 | -179.9 | 0 | 0 | 112.3 | V173 A180 N181 | V173-E177 HydrophobicContact CG1-CG 4.08Å; V173-E177 WeakPolarHBondContact CG1-OE1 3.16Å; V173-E177 WeakPolarHBondContact O-CB 3.41Å; V173-E177 WeakPolarHBondContact O-CG 3.48Å; V173-E177 PolarHBondContact O-N 3.02Å; E177-A180 PolarHBondContact O-N 3.23Å; E177-N181 PolarHBondContact O-N 3.2Å; E177-N181 PolarHBondContact O-ND2 3.18Å |
| 178 | T | 60 | Low | 68.8 | Low | 91 Ų | 91 | 109.8 Ų | 109.8 | 56% | 0.558 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66 | -37.5 | 175.3 | 49.7 | 0 | 0 | 0 | 0 | 112.4 | D174 S175 | D174-T178 WeakPolarHBondContact O-CB 3.22Å; D174-T178 WeakPolarHBondContact O-CG2 3.09Å; D174-T178 PolarHBondContact O-N 3.33Å; D174-T178 VanDerWaalsContact O-N 3.11Å; D174-T178 PolarHBondContact O-OG1 2.72Å; S175-T178 PolarHBondContact O-OG1 3.23Å |
| 179 | Y | 62.9 | Low | 67.6 | Low | 180 Ų | 180 | 109.4 Ų | 109.4 | 71% | 0.706 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -76.4 | -34.1 | 175.2 | -64.7 | -62.3 | 0 | 0 | 0 | 113.6 | S175 T176 S183 | S175-Y179 WeakPolarHBondContact O-CD2 3.34Å; S175-Y179 WeakPolarHBondContact O-CE2 3.15Å; S175-Y179 PolarHBondContact O-N 3.07Å; T176-Y179 PolarHBondContact O-N 3.1Å; Y179-S183 PolarHBondContact O-N 3.33Å |
| 180 | A | 65.4 | Low | 66.3 | Low | 51 Ų | 51 | 109.3 Ų | 109.3 | 42% | 0.421 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -71.4 | -32.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | T176 E177 S183 | T176-A180 WeakPolarHBondContact O-CB 3.27Å; T176-A180 PolarHBondContact O-N 3.11Å; E177-A180 PolarHBondContact O-N 3.23Å; A180-S183 PolarHBondContact O-OG 2.81Å |
| 181 | N | 63 | Low | 65.1 | Low | 112 Ų | 112 | 108.6 Ų | 108.6 | 60% | 0.599 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -77.2 | -28.3 | 177.9 | -71.2 | -45.9 | 0 | 0 | 0 | 112.6 | E177 | E177-N181 PolarHBondContact O-N 3.2Å; E177-N181 PolarHBondContact O-ND2 3.18Å |
| 182 | H | 61.5 | Low | 63.9 | Low | 135 Ų | 135 | 111.3 Ų | 111.3 | 63% | 0.625 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -74.8 | -32 | 179.3 | -166.9 | 62.1 | 0 | 0 | 0 | 113.2 | ||
| 183 | S | 65.4 | Low | 62.9 | Low | 84 Ų | 84 | 115.2 Ų | 115.2 | 59% | 0.587 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -76.2 | -23 | -178 | 62.5 | 0 | 0 | 0 | 0 | 114.5 | Y179 A180 S185 | Y179-S183 PolarHBondContact O-N 3.33Å; A180-S183 PolarHBondContact O-OG 2.81Å; S183-S185 VanDerWaalsContact C-N 3.3Å; S183-S185 PolarHBondContact O-N 3.41Å |
| 184 | K | 62.2 | Low | 62.1 | Low | 183 Ų | 183 | 119.9 Ų | 119.9 | 80% | 0.796 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -2 | 179.1 | -89.4 | 175.4 | 177.6 | 174.7 | 0 | 115.2 | ||
| 185 | S | 62.5 | Low | 61.7 | Low | 99 Ų | 99 | 121.5 Ų | 121.5 | 69% | 0.692 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.9 | 12.1 | -178 | -57.2 | 0 | 0 | 0 | 0 | 114.3 | S183 | S183-S185 VanDerWaalsContact C-N 3.3Å; S183-S185 PolarHBondContact O-N 3.41Å |
| 186 | I | 61.9 | Low | 61.4 | Low | 126 Ų | 126 | 126.6 Ų | 126.6 | 65% | 0.646 | 66% | 0.659 | S | S | * | * | trans | -110.5 | 3.7 | -174 | -67.2 | 176.3 | 0 | 0 | 0 | 113.6 | ||||
| 187 | E | 47.4 | Very low | 61.2 | Low | 258 Ų | 258 | 129.8 Ų | 129.8 | 100% | 1.206 | 67% | 0.668 | S | S | * | * | trans | -113.7 | 0 | 169.5 | -98.5 | 171.3 | 162 | 0 | 0 | 111.4 |
Retrieved 187 of 187 residues in 88.6 ms
(Link to these results)