| 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 | 27.1 | Very low | 28.5 | Very low | 225 Ų | 225 | 146.1 Ų | 146.1 | 100% | 1.108 | 81% | 0.812 | S | S | * | * | 0 | 91.9 | 0 | -79.6 | 158 | 104.9 | 0 | 0 | 106.4 | |||||
| 2 | T | 24.9 | Very low | 28.6 | Very low | 120 Ų | 120 | 144.7 Ų | 144.7 | 74% | 0.736 | 82% | 0.817 | S | S | * | * | 84.2 | 97.8 | 92 | 49.8 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 3 | S | 24.3 | Very low | 28.8 | Very low | 109 Ų | 109 | 146.2 Ų | 146.2 | 76% | 0.762 | 82% | 0.82 | S | S | * | * | 99.5 | 120.8 | 74.1 | 61.7 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 4 | E | 25.6 | Very low | 28.8 | Very low | 169 Ų | 169 | 147.4 Ų | 147.4 | 79% | 0.79 | 82% | 0.823 | S | S | * | * | trans | -44.6 | 177.2 | 154.1 | -101.6 | -166.9 | -170.8 | 0 | 0 | 114 | ||||
| 5 | P | 39.9 | Very low | 28.7 | Very low | 98 Ų | 98 | 149.6 Ų | 149.6 | 64% | 0.636 | 83% | 0.831 | S | S | * | * | cis | -145.1 | 175 | 12.7 | 18.8 | 9.9 | 0 | 0 | 0 | 118.2 | ||||
| 6 | L | 27.4 | Very low | 28.7 | Very low | 152 Ų | 152 | 145.1 Ų | 145.1 | 80% | 0.796 | 83% | 0.829 | S | S | * | * | trans | 25.8 | 110.8 | 136.8 | -64.1 | 143.9 | 0 | 0 | 0 | 120 | ||||
| 7 | V | 30.2 | Very low | 29 | Very low | 132 Ų | 132 | 147.8 Ų | 147.8 | 80% | 0.8 | 83% | 0.832 | S | S | * | * | trans | -164 | 116.3 | 133 | 178.6 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 8 | F | 27.5 | Very low | 29.1 | Very low | 187 Ų | 187 | 150.2 Ų | 150.2 | 82% | 0.82 | 84% | 0.839 | S | S | * | * | trans | 164 | 75.3 | 151.7 | -97.4 | -71.2 | 0 | 0 | 0 | 109.9 | ||||
| 9 | C | 29.8 | Very low | 29 | Very low | 131 Ų | 131 | 146.4 Ų | 146.4 | 89% | 0.885 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -163.8 | 45.6 | 159.7 | -117.6 | 0 | 0 | 0 | 0 | 112.5 | ||
| 10 | L | 28.3 | Very low | 29.1 | Very low | 165 Ų | 165 | 148 Ų | 148 | 86% | 0.864 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -138.7 | 19.5 | 177.3 | -124.9 | 105 | 0 | 0 | 0 | 115.3 | ||
| 11 | T | 29.1 | Very low | 29.2 | Very low | 119 Ų | 119 | 149.1 Ų | 149.1 | 73% | 0.73 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -115.1 | 6.2 | -176.4 | 39.6 | 0 | 0 | 0 | 0 | 115.7 | ||
| 12 | C | 29.8 | Very low | 29.3 | Very low | 129 Ų | 129 | 147 Ų | 147 | 87% | 0.872 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -101.4 | 8.6 | 175.5 | -74.3 | 0 | 0 | 0 | 0 | 115.1 | ||
| 13 | L | 30.5 | Very low | 29.7 | Very low | 165 Ų | 165 | 149.7 Ų | 149.7 | 86% | 0.864 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -106.1 | 9.7 | -177.3 | -94.3 | 162.3 | 0 | 0 | 0 | 115.3 | ||
| 14 | L | 28.5 | Very low | 30.2 | Very low | 163 Ų | 163 | 148.5 Ų | 148.5 | 85% | 0.853 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -127.5 | 10.6 | -176.5 | -76.1 | 172.3 | 0 | 0 | 0 | 116.1 | ||
| 15 | L | 28.5 | Very low | 30.5 | Very low | 180 Ų | 180 | 149.3 Ų | 149.3 | 94% | 0.942 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -135.3 | 85 | 172.1 | -74.2 | 168.9 | 0 | 0 | 0 | 109.8 | ||
| 16 | G | 28.2 | Very low | 30.2 | Very low | 78 Ų | 78 | 149.5 Ų | 149.5 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | trans | 175 | 37.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 17 | Q | 33.5 | Very low | 30.6 | Very low | 190 Ų | 190 | 144.5 Ų | 144.5 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | trans | -87.3 | 132.1 | 159.2 | -127.6 | 174.4 | -6.6 | 0 | 0 | 106.5 | ||||
| 18 | M | 31.1 | Very low | 31 | Very low | 192 Ų | 192 | 145 Ų | 145 | 95% | 0.946 | 81% | 0.805 | S | S | * | * | S | Bend | trans | 92.8 | 92 | -176.2 | -50.4 | -71.5 | -79.3 | 0 | 0 | 114.7 | ||
| 19 | G | 27.4 | Very low | 31.2 | Very low | 77 Ų | 77 | 145.2 Ų | 145.2 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | trans | 151.3 | 92.9 | 163.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 20 | E | 30 | Very low | 31.4 | Very low | 178 Ų | 178 | 143 Ų | 143 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | 31.8 | 118.1 | 151.6 | -56.1 | -163.8 | 163 | 0 | 0 | 121.5 | F22 | E20-F22 VanDerWaalsContact C-N 3.33Å; E20-F22 PolarHBondContact O-N 3.47Å; E20-F22 VanDerWaalsContact O-N 3.13Å | ||
| 21 | I | 32.1 | Very low | 31.7 | Very low | 173 Ų | 173 | 142.7 Ų | 142.7 | 89% | 0.887 | 78% | 0.776 | S | S | * | * | trans | -79.7 | 81.8 | 160.2 | -59.3 | 170 | 0 | 0 | 0 | 108.2 | ||||
| 22 | F | 29.8 | Very low | 32.1 | Very low | 180 Ų | 180 | 140 Ų | 140 | 79% | 0.789 | 76% | 0.762 | S | S | * | * | trans | -140.8 | 137.5 | 155.2 | -100.5 | -91.7 | 0 | 0 | 0 | 105.4 | E20 | E20-F22 VanDerWaalsContact C-N 3.33Å; E20-F22 PolarHBondContact O-N 3.47Å; E20-F22 VanDerWaalsContact O-N 3.13Å | ||
| 23 | I | 32.7 | Very low | 32.4 | Very low | 176 Ų | 176 | 136.6 Ų | 136.6 | 90% | 0.903 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 96.5 | 79.6 | -169.2 | -48.6 | 155.3 | 0 | 0 | 0 | 113 | ||
| 24 | S | 34.3 | Very low | 32.5 | Very low | 84 Ų | 84 | 133.9 Ų | 133.9 | 59% | 0.587 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -167.2 | -2.7 | 136.2 | -158.1 | 0 | 0 | 0 | 0 | 114.5 | S26 | S24-S26 VanDerWaalsContact C-N 3.31Å; S24-S26 PolarHBondContact O-N 3.27Å |
| 25 | F | 31.9 | Very low | 32.7 | Very low | 187 Ų | 187 | 129.1 Ų | 129.1 | 82% | 0.82 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -72.3 | -22.9 | 175.6 | -89.7 | -85.1 | 0 | 0 | 0 | 114.2 | ||
| 26 | S | 33.6 | Very low | 33.1 | Very low | 101 Ų | 101 | 127.8 Ų | 127.8 | 71% | 0.706 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -75.5 | -28.7 | 179.2 | 153.9 | 0 | 0 | 0 | 0 | 113.5 | S24 T30 | S24-S26 VanDerWaalsContact C-N 3.31Å; S24-S26 PolarHBondContact O-N 3.27Å; S26-T30 PolarHBondContact O-OG1 3.39Å |
| 27 | G | 35.1 | Very low | 33.5 | Very low | 47 Ų | 47 | 131.9 Ų | 131.9 | 49% | 0.485 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -76.7 | -30.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | F31 | G27-F31 PolarHBondContact O-N 3.01Å |
| 28 | F | 40.1 | Very low | 33.5 | Very low | 144 Ų | 144 | 129.5 Ų | 129.5 | 63% | 0.632 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -74.3 | -38 | -177.7 | -117.1 | -90.1 | 0 | 0 | 0 | 113 | T30 F31 C32 | F28-T30 VanDerWaalsContact C-N 3.32Å; F28-T30 PolarHBondContact O-N 3.26Å; F28-F31 PolarHBondContact O-N 3.35Å; F28-C32 PolarHBondContact O-N 3.18Å |
| 29 | Y | 31.8 | Very low | 33.9 | Very low | 191 Ų | 191 | 124.1 Ų | 124.1 | 75% | 0.749 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -62.6 | -40.1 | 177.4 | -110.9 | -87.7 | 0 | 0 | 0 | 112 | F31 A33 | Y29-F31 VanDerWaalsContact C-N 3.34Å; Y29-F31 PolarHBondContact O-N 3.47Å; Y29-A33 VanDerWaalsContact O-CB 3.24Å; Y29-A33 WeakPolarHBondContact O-CB 3.33Å; Y29-A33 PolarHBondContact O-N 3.27Å |
| 30 | T | 33.2 | Very low | 34.1 | Very low | 85 Ų | 85 | 124.7 Ų | 124.7 | 52% | 0.521 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -70 | -31.8 | 179.5 | -43.7 | 0 | 0 | 0 | 0 | 112 | S26 F28 N34 | S26-T30 PolarHBondContact O-OG1 3.39Å; F28-T30 VanDerWaalsContact C-N 3.32Å; F28-T30 PolarHBondContact O-N 3.26Å; T30-N34 PolarHBondContact O-N 3.46Å; T30-N34 PolarHBondContact O-ND2 3.44Å |
| 31 | F | 34.6 | Very low | 34.6 | Very low | 158 Ų | 158 | 127.8 Ų | 127.8 | 69% | 0.693 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -76.8 | -41.2 | 177.8 | -160.7 | -96.9 | 0 | 0 | 0 | 112.4 | G27 F28 Y29 S35 | G27-F31 PolarHBondContact O-N 3.01Å; F28-F31 PolarHBondContact O-N 3.35Å; Y29-F31 VanDerWaalsContact C-N 3.34Å; Y29-F31 PolarHBondContact O-N 3.47Å; F31-S35 PolarHBondContact O-N 2.93Å |
| 32 | C | 36.8 | Very low | 34.8 | Very low | 63 Ų | 63 | 128 Ų | 128 | 43% | 0.426 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -68.5 | -36.5 | 174.9 | -76.1 | 0 | 0 | 0 | 0 | 112.6 | F28 S35 L36 | F28-C32 PolarHBondContact O-N 3.18Å; C32-S35 PolarHBondContact O-N 3.39Å; C32-L36 PolarHBondContact O-N 3.3Å; C32-L36 VanDerWaalsContact O-N 3.16Å |
| 33 | A | 36.8 | Very low | 35.1 | Very low | 56 Ų | 56 | 129 Ų | 129 | 46% | 0.463 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -64.6 | -40.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y29 S35 L36 | Y29-A33 VanDerWaalsContact O-CB 3.24Å; Y29-A33 WeakPolarHBondContact O-CB 3.33Å; Y29-A33 PolarHBondContact O-N 3.27Å; A33-S35 VanDerWaalsContact C-N 3.31Å; A33-S35 PolarHBondContact O-N 3.09Å; A33-L36 PolarHBondContact O-N 3.28Å |
| 34 | N | 32 | Very low | 35.2 | Very low | 109 Ų | 109 | 126.2 Ų | 126.2 | 58% | 0.583 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -72 | -23.2 | 177.2 | -79.1 | -20.3 | 0 | 0 | 0 | 113.4 | T30 | T30-N34 PolarHBondContact O-N 3.46Å; T30-N34 PolarHBondContact O-ND2 3.44Å |
| 35 | S | 33.9 | Very low | 35.4 | Very low | 63 Ų | 63 | 126 Ų | 126 | 44% | 0.441 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -82.3 | -28 | 176.9 | -167.9 | 0 | 0 | 0 | 0 | 112.9 | F31 C32 A33 Q37 N38 | F31-S35 PolarHBondContact O-N 2.93Å; C32-S35 PolarHBondContact O-N 3.39Å; A33-S35 VanDerWaalsContact C-N 3.31Å; A33-S35 PolarHBondContact O-N 3.09Å; S35-Q37 PolarHBondContact O-N 3.03Å; S35-N38 PolarHBondContact O-N 2.97Å |
| 36 | L | 35.8 | Very low | 35.7 | Very low | 151 Ų | 151 | 122.4 Ų | 122.4 | 79% | 0.791 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -68.7 | -19.6 | 174.8 | -86.5 | 157.1 | 0 | 0 | 0 | 113.7 | C32 A33 N38 | C32-L36 PolarHBondContact O-N 3.3Å; C32-L36 VanDerWaalsContact O-N 3.16Å; A33-L36 PolarHBondContact O-N 3.28Å; L36-N38 VanDerWaalsContact C-N 3.35Å |
| 37 | Q | 36.7 | Very low | 35.9 | Very low | 164 Ų | 164 | 125.4 Ų | 125.4 | 77% | 0.766 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -9.6 | 179.1 | -137.1 | 162.4 | 17 | 0 | 0 | 113.8 | S35 | S35-Q37 PolarHBondContact O-N 3.03Š|
| 38 | N | 34.2 | Very low | 36 | Very low | 140 Ų | 140 | 130 Ų | 130 | 75% | 0.749 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.6 | 33 | -175.4 | -107 | -2.9 | 0 | 0 | 0 | 114.1 | S35 L36 S40 | S35-N38 PolarHBondContact O-N 2.97Å; L36-N38 VanDerWaalsContact C-N 3.35Å; N38-S40 VanDerWaalsContact C-N 3.29Å; N38-S40 PolarHBondContact O-N 3.48Å |
| 39 | G | 38.7 | Very low | 35.7 | Very low | 80 Ų | 80 | 131.9 Ų | 131.9 | 83% | 0.825 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 56.9 | 25.8 | 151.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||
| 40 | S | 32.9 | Very low | 35.9 | Very low | 88 Ų | 88 | 126.4 Ų | 126.4 | 62% | 0.615 | 68% | 0.675 | S | S | * | * | trans | -111.2 | 88.6 | 177.1 | 49.8 | 0 | 0 | 0 | 0 | 111.8 | N38 E42 | N38-S40 VanDerWaalsContact C-N 3.29Å; N38-S40 PolarHBondContact O-N 3.48Å; S40-E42 PolarHBondContact O-N 3.28Å | ||
| 41 | R | 38.8 | Very low | 36.2 | Very low | 244 Ų | 244 | 125.1 Ų | 125.1 | 92% | 0.921 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 100.8 | 160 | -85.4 | 180 | 171.1 | 178 | -2.6 | 107.7 | ||
| 42 | E | 37.7 | Very low | 36.6 | Very low | 178 Ų | 178 | 122.8 Ų | 122.8 | 83% | 0.832 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 179.1 | 5.6 | 148.5 | -105 | 171.1 | -166.3 | 0 | 0 | 117.3 | S40 | S40-E42 PolarHBondContact O-N 3.28Š|
| 43 | F | 35.2 | Very low | 36.6 | Very low | 200 Ų | 200 | 127.1 Ų | 127.1 | 88% | 0.877 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -114.8 | 39.5 | -171 | -109.2 | -88.6 | 0 | 0 | 0 | 116.5 | ||
| 44 | C | 34.6 | Very low | 36.5 | Very low | 117 Ų | 117 | 128.8 Ų | 128.8 | 79% | 0.791 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -131.7 | 21.8 | -178.9 | -120.1 | 0 | 0 | 0 | 0 | 116 | ||
| 45 | S | 39.4 | Very low | 36.6 | Very low | 81 Ų | 81 | 126.4 Ų | 126.4 | 57% | 0.566 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -105.3 | -22.5 | -177.8 | 63.3 | 0 | 0 | 0 | 0 | 115.4 | Y49 | S45-Y49 WeakPolarHBondContact O-CD2 3.45Š|
| 46 | T | 37.7 | Very low | 36.7 | Very low | 111 Ų | 111 | 128.4 Ų | 128.4 | 68% | 0.681 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -93.8 | -26.9 | -169.9 | 8.9 | 0 | 0 | 0 | 0 | 115.3 | ||
| 47 | E | 37.3 | Very low | 36.8 | Very low | 163 Ų | 163 | 126.9 Ų | 126.9 | 76% | 0.762 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -84.1 | -13.7 | 174.8 | -65.8 | -155.5 | 164 | 0 | 0 | 113.4 | S50 A51 | E47-S50 PolarHBondContact O-OG 3.5Å; E47-A51 PolarHBondContact O-N 2.92Å |
| 48 | F | 38.7 | Very low | 37.1 | Very low | 144 Ų | 144 | 124.3 Ų | 124.3 | 63% | 0.632 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -71.1 | -34.2 | 175.4 | -147 | -97.4 | 0 | 0 | 0 | 111.8 | I52 | F48-I52 HydrophobicContact CD1-CD1 3.76Å; F48-I52 HydrophobicContact CE1-CD1 3.84Å; F48-I52 WeakPolarHBondContact O-CG1 3.42Å; F48-I52 PolarHBondContact O-N 3.41Å |
| 49 | Y | 33.2 | Very low | 37.2 | Very low | 184 Ų | 184 | 123 Ų | 123 | 72% | 0.722 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -76.4 | -26.6 | -179.6 | -87 | -84.9 | 0 | 0 | 0 | 113.9 | S45 | S45-Y49 WeakPolarHBondContact O-CD2 3.45Å |
| 50 | S | 36.2 | Very low | 37.2 | Very low | 75 Ų | 75 | 127.4 Ų | 127.4 | 52% | 0.524 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -83 | -29.8 | 177.6 | 60.8 | 0 | 0 | 0 | 0 | 112.9 | E47 L53 S54 | E47-S50 PolarHBondContact O-OG 3.5Å; S50-L53 PolarHBondContact O-N 2.92Å; S50-S54 PolarHBondContact O-N 2.91Å; S50-S54 PolarHBondContact O-OG 3.37Å |
| 51 | A | 39.2 | Very low | 37.4 | Very low | 58 Ų | 58 | 129 Ų | 129 | 48% | 0.479 | 71% | 0.706 | S | S | . | * | H | α-helix | trans | -72.1 | -31.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | E47 L53 S54 A55 | E47-A51 PolarHBondContact O-N 2.92Å; A51-L53 VanDerWaalsContact C-N 3.32Å; A51-S54 PolarHBondContact O-OG 3.2Å; A51-A55 PolarHBondContact O-N 3.3Å |
| 52 | I | 42 | Very low | 38 | Very low | 110 Ų | 110 | 121.5 Ų | 121.5 | 56% | 0.564 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -71.8 | -28.3 | 175.9 | -65.5 | 171.6 | 0 | 0 | 0 | 111.4 | F48 | F48-I52 HydrophobicContact CD1-CD1 3.76Å; F48-I52 HydrophobicContact CE1-CD1 3.84Å; F48-I52 WeakPolarHBondContact O-CG1 3.42Å; F48-I52 PolarHBondContact O-N 3.41Å |
| 53 | L | 38.3 | Very low | 39.1 | Very low | 154 Ų | 154 | 115 Ų | 115 | 81% | 0.806 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -85.5 | -14.7 | 179.4 | -112.9 | 83.4 | 0 | 0 | 0 | 114.7 | S50 A51 | S50-L53 PolarHBondContact O-N 2.92Å; A51-L53 VanDerWaalsContact C-N 3.32Å |
| 54 | S | 35.1 | Very low | 40.4 | Very low | 90 Ų | 90 | 107.6 Ų | 107.6 | 63% | 0.629 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -105.2 | -4.7 | 179.3 | 63.6 | 0 | 0 | 0 | 0 | 113.6 | S50 A51 P56 | S50-S54 PolarHBondContact O-N 2.91Å; S50-S54 PolarHBondContact O-OG 3.37Å; A51-S54 PolarHBondContact O-OG 3.2Å; S54-P56 WeakPolarHBondContact O-CD 3.39Å |
| 55 | A | 33.2 | Very low | 42 | Very low | 60 Ų | 60 | 102.1 Ų | 102.1 | 50% | 0.496 | 60% | 0.6 | S | S | . | * | S | Bend | trans | -61.4 | 122 | 163.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | A51 | A51-A55 PolarHBondContact O-N 3.3Š|
| 56 | P | 35.5 | Very low | 43.8 | Very low | 105 Ų | 105 | 101.5 Ų | 101.5 | 68% | 0.682 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 141.4 | 167.9 | 23.1 | -30.2 | 0 | 0 | 0 | 107.2 | S54 S58 | S54-P56 WeakPolarHBondContact O-CD 3.39Å; P56-S58 PolarHBondContact O-N 2.91Å |
| 57 | P | 38.7 | Very low | 45.8 | Very low | 118 Ų | 118 | 96.5 Ų | 96.5 | 77% | 0.766 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -47.9 | 123.1 | 172.8 | 20.7 | -30.8 | 0 | 0 | 0 | 106 | V59 | P57-V59 PolarHBondContact O-N 3.42Š|
| 58 | S | 43.5 | Very low | 47.6 | Very low | 110 Ų | 110 | 96.9 Ų | 96.9 | 77% | 0.769 | 56% | 0.557 | S | S | * | * | trans | -41.6 | 113.8 | 176.4 | 39.1 | 0 | 0 | 0 | 0 | 106.2 | P56 L60 | P56-S58 PolarHBondContact O-N 2.91Å; S58-L60 PolarHBondContact O-N 3.28Å | ||
| 59 | V | 36 | Very low | 49.5 | Very low | 114 Ų | 114 | 92.3 Ų | 92.3 | 69% | 0.691 | 54% | 0.543 | S | S | * | . | trans | -47 | 115.2 | 172.2 | 172.4 | 0 | 0 | 0 | 0 | 103.6 | P57 T61 | P57-V59 PolarHBondContact O-N 3.42Å; V59-T61 PolarHBondContact O-N 2.89Å; V59-T61 PolarHBondContact O-OG1 3.49Å | ||
| 60 | L | 37.8 | Very low | 51.8 | Low | 171 Ų | 171 | 85.3 Ų | 85.3 | 90% | 0.895 | 52% | 0.52 | S | S | * | . | trans | -54.7 | 88 | 163.5 | -87.7 | 156.4 | 0 | 0 | 0 | 103.8 | S58 S62 | S58-L60 PolarHBondContact O-N 3.28Å; L60-S62 VanDerWaalsContact C-N 3.26Å; L60-S62 PolarHBondContact O-N 3.24Å | ||
| 61 | T | 38.3 | Very low | 54.2 | Low | 122 Ų | 122 | 88 Ų | 88 | 75% | 0.748 | 52% | 0.523 | S | S | * | . | trans | -74.4 | 100.3 | 179.6 | -12.3 | 0 | 0 | 0 | 0 | 100.7 | V59 S63 | V59-T61 PolarHBondContact O-N 2.89Å; V59-T61 PolarHBondContact O-OG1 3.49Å; T61-S63 PolarHBondContact O-N 3.45Å | ||
| 62 | S | 51.3 | Low | 56.6 | Low | 87 Ų | 87 | 87.7 Ų | 87.7 | 61% | 0.608 | 51% | 0.513 | S | S | * | . | trans | -47.8 | 121.1 | 171.7 | 52.9 | 0 | 0 | 0 | 0 | 106.3 | L60 P64 | L60-S62 VanDerWaalsContact C-N 3.26Å; L60-S62 PolarHBondContact O-N 3.24Å; S62-P64 VanDerWaalsContact O-N 3.12Å | ||
| 63 | S | 59.1 | Low | 59 | Low | 42 Ų | 42 | 85.7 Ų | 85.7 | 29% | 0.294 | 51% | 0.509 | S | S | . | . | trans | -49.6 | 124.9 | 177 | -178.3 | 0 | 0 | 0 | 0 | 107.3 | T61 V65 H66 | T61-S63 PolarHBondContact O-N 3.45Å; S63-V65 PolarHBondContact O-N 2.96Å; S63-V65 PolarHBondContact OG-O 3.18Å; S63-H66 PolarHBondContact O-CE1 2.8Å; S63-H66 PolarHBondContact O-ND1 2.75Å; S63-H66 PolarHBondContact O-NE2 3.11Å; S63-H66 VanDerWaalsContact O-NE2 3.16Å | ||
| 64 | P | 62.8 | Low | 61.6 | Low | 43 Ų | 43 | 78.7 Ų | 78.7 | 28% | 0.279 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -68.3 | -0.3 | -176 | 31.3 | -38.1 | 0 | 0 | 0 | 112 | S62 Y86 E87 F158 | S62-P64 VanDerWaalsContact O-N 3.12Å; P64-Y86 HydrophobicContact CB-CE2 4.36Å; P64-Y86 CarbonylContact O-C 3.5Å; P64-Y86 WeakPolarHBondContact O-CA 3.24Å; P64-Y86 WeakPolarHBondContact O-CD2 3.3Å; P64-E87 PolarHBondContact O-N 2.95Å; P64-F158 HydrophobicContact CB-CZ 4.43Å; P64-F158 HydrophobicContact CG-CD2 4.31Å; P64-F158 HydrophobicContact CG-CE1 3.62Å; P64-F158 HydrophobicContact CG-CE2 3.44Å; P64-F158 VanDerWaalsContact CG-CE2 3.44Å; P64-F158 HydrophobicContact CG-CZ 3.04Å |
| 65 | V | 69.4 | Low | 64.3 | Low | 2 Ų | 2 | 77.8 Ų | 77.8 | 1% | 0.012 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 127.8 | 165.1 | 167.7 | 0 | 0 | 0 | 0 | 111.1 | S63 C84 S85 Y86 C156 F158 | S63-V65 PolarHBondContact O-N 2.96Å; S63-V65 PolarHBondContact OG-O 3.18Å; V65-C84 WeakPolarHBondContact CG1-SG 3.28Å; V65-S85 WeakPolarHBondContact CA-O 3.35Å; V65-Y86 HydrophobicContact CG2-CD2 3.66Å; V65-Y86 HydrophobicContact CG2-CG 4.39Å; V65-C156 HydrophobicContact CG1-CB 4.17Å; V65-F158 HydrophobicContact CB-CD1 3.45Å; V65-F158 VanDerWaalsContact CB-CD1 3.45Å; V65-F158 HydrophobicContact CB-CE1 3.81Å; V65-F158 HydrophobicContact CB-CG 4.41Å; V65-F158 HydrophobicContact CG2-CB 3.68Å; V65-F158 HydrophobicContact CG2-CD1 3.04Å; V65-F158 HydrophobicContact CG2-CE1 3.79Å; V65-F158 HydrophobicContact CG2-CG 3.54Å |
| 66 | H | 76.8 | Confident | 67.2 | Low | 68 Ų | 68 | 78 Ų | 78 | 32% | 0.315 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 106.1 | 176.9 | -55.6 | -68.4 | 0 | 0 | 0 | 110.1 | S63 C84 S85 | S63-H66 PolarHBondContact O-CE1 2.8Å; S63-H66 PolarHBondContact O-ND1 2.75Å; S63-H66 PolarHBondContact O-NE2 3.11Å; S63-H66 VanDerWaalsContact O-NE2 3.16Å; H66-C84 WeakPolarHBondContact O-CA 3.07Å; H66-S85 PolarHBondContact N-O 3.45Å; H66-S85 PolarHBondContact O-N 2.9Å; H66-S85 PolarHBondContact O-OG 3.41Å |
| 67 | L | 78.9 | Confident | 70 | Confident | 7 Ų | 7 | 75 Ų | 75 | 4% | 0.037 | 45% | 0.448 | C | S | . | . | trans | -113.1 | 114 | 152 | 168.7 | 69.8 | 0 | 0 | 0 | 104.7 | S69 R83 C84 W96 Y154 C156 A170 | L67-S69 PolarHBondContact O-N 2.91Å; L67-R83 WeakPolarHBondContact CD1-O 3.44Å; L67-C84 HydrophobicContact CB-CB 4.43Å; L67-W96 HydrophobicContact CD1-CH2 4.5Å; L67-W96 HydrophobicContact CD2-CH2 4.32Å; L67-W96 HydrophobicContact CD2-CZ3 4.12Å; L67-Y154 WeakPolarHBondContact CD2-O 3.44Å; L67-C156 HydrophobicContact CB-CB 4.37Å; L67-C156 HydrophobicContact CD2-CB 4.46Å; L67-A170 HydrophobicContact CD1-CB 4.31Å; L67-A170 HydrophobicContact CD2-CB 4.08Å; L67-A170 HydrophobicContact CG-CB 4.34Å | ||
| 68 | K | 74.9 | Confident | 72.7 | Confident | 170 Ų | 170 | 70.4 Ų | 70.4 | 74% | 0.739 | 42% | 0.422 | S | S | * | . | trans | -63.2 | 129.2 | -177.3 | -177.4 | 175.7 | -180 | 176.7 | 0 | 109.7 | S70 | K68-S70 PolarHBondContact O-N 3.26Å; K68-S70 VanDerWaalsContact O-N 3.08Å; K68-S70 PolarHBondContact O-OG 2.88Å | ||
| 69 | S | 78.6 | Confident | 75.2 | Confident | 48 Ų | 48 | 71 Ų | 71 | 34% | 0.336 | 41% | 0.413 | S | S | . | . | trans | -50.1 | 119.2 | 170.1 | -172.1 | 0 | 0 | 0 | 0 | 110.1 | L67 E168 G169 | L67-S69 PolarHBondContact O-N 2.91Å; S69-E168 WeakPolarHBondContact CB-OE2 3.16Å; S69-E168 PolarHBondContact N-OE2 3.06Å; S69-G169 WeakPolarHBondContact CA-O 3.07Å | ||
| 70 | S | 82.7 | Confident | 78.1 | Confident | 37 Ų | 37 | 66 Ų | 66 | 26% | 0.259 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 145.9 | -176.2 | 51 | 0 | 0 | 0 | 0 | 111.1 | K68 A170 T171 | K68-S70 PolarHBondContact O-N 3.26Å; K68-S70 VanDerWaalsContact O-N 3.08Å; K68-S70 PolarHBondContact O-OG 2.88Å; S70-A170 WeakPolarHBondContact OG-CB 3.38Å; S70-T171 PolarHBondContact O-N 3.08Å |
| 71 | F | 85.7 | Confident | 80.8 | Confident | 132 Ų | 132 | 60.3 Ų | 60.3 | 58% | 0.579 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 113 | 170.4 | -78.4 | -88.7 | 0 | 0 | 0 | 107.8 | T171 F280 | F71-T171 WeakPolarHBondContact CA-O 3.5Å; F71-T171 HydrophobicContact CD1-CG2 4Å; F71-T171 HydrophobicContact CE1-CG2 3.89Å; F71-F280 HydrophobicContact CE1-CE1 4.46Å; F71-F280 HydrophobicContact CE1-CZ 4.16Å |
| 72 | I | 90.9 | Very high | 83.5 | Confident | 51 Ų | 51 | 54.7 Ų | 54.7 | 26% | 0.262 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 123.9 | -176.3 | -55.8 | 172.3 | 0 | 0 | 0 | 108.2 | V80 L82 T171 V172 I173 | I72-V80 HydrophobicContact CD1-CG2 4.05Å; I72-V80 HydrophobicContact CG2-CG2 3.85Å; I72-L82 HydrophobicContact CD1-CD2 3.61Å; I72-T171 PolarHBondContact N-O 3.24Å; I72-V172 HydrophobicContact CB-CG2 4.48Å; I72-V172 CarbonylContact O-C 3.58Å; I72-V172 WeakPolarHBondContact O-CA 3.34Å; I72-I173 PolarHBondContact O-N 2.93Å |
| 73 | S | 91 | Very high | 85.5 | Confident | 69 Ų | 69 | 59.2 Ų | 59.2 | 48% | 0.483 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 128.2 | 172 | -175.6 | 0 | 0 | 0 | 0 | 108.5 | I173 K175 | S73-I173 WeakPolarHBondContact CA-O 3.39Å; S73-K175 VanDerWaalsContact OG-CD 3.25Å; S73-K175 WeakPolarHBondContact OG-CD 3.49Å; S73-K175 WeakPolarHBondContact OG-CE 3.12Å; S73-K175 PolarHBondContact OG-NZ 2.85Å |
| 74 | A | 92.6 | Very high | 87.1 | Confident | 7 Ų | 7 | 57.2 Ų | 57.2 | 6% | 0.058 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 148.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.2 | L146 I173 I174 K175 | A74-L146 HydrophobicContact CB-CD1 3.56Å; A74-I173 PolarHBondContact N-O 3.17Å; A74-I174 HydrophobicContact CB-CD1 4.16Å; A74-I174 CarbonylContact O-C 3.58Å; A74-I174 VanDerWaalsContact O-CA 3.27Å; A74-I174 WeakPolarHBondContact O-CA 3.48Å; A74-K175 PolarHBondContact O-N 2.88Å |
| 75 | P | 93.1 | Very high | 88.3 | Confident | 70 Ų | 70 | 56.7 Ų | 56.7 | 46% | 0.455 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 158.1 | 176.3 | 31.6 | -34.4 | 0 | 0 | 0 | 112.2 | G78 K175 | P75-G78 PolarHBondContact O-N 3.39Å; P75-G78 VanDerWaalsContact O-N 3.16Å; P75-K175 CarbonylContact C-O 3.53Å; P75-K175 VanDerWaalsContact CA-O 3.24Å; P75-K175 WeakPolarHBondContact CA-O 3.39Å |
| 76 | V | 93 | Very high | 88.9 | Confident | 64 Ų | 64 | 57.1 Ų | 57.1 | 39% | 0.388 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | 142.8 | 166.7 | 178.3 | 0 | 0 | 0 | 0 | 110.5 | G78 M148 I174 K175 D176 | V76-G78 PolarHBondContact O-N 3.13Å; V76-G78 VanDerWaalsContact O-N 3.07Å; V76-M148 HydrophobicContact CG2-CE 3.08Å; V76-I174 HydrophobicContact CG2-CG2 3.95Å; V76-K175 PolarHBondContact N-O 2.79Å; V76-D176 HydrophobicContact CG2-CB 3.99Å |
| 77 | G | 94.6 | Very high | 89.1 | Confident | 43 Ų | 43 | 59.6 Ų | 59.6 | 44% | 0.443 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | -9.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | L146 | G77-L146 PolarHBondContact N-O 3.3Š|
| 78 | G | 95.5 | Very high | 88.8 | Confident | 21 Ų | 21 | 60.1 Ų | 60.1 | 22% | 0.216 | 33% | 0.328 | C | S | . | . | trans | -71.2 | -165.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | P75 V76 N145 L146 | P75-G78 PolarHBondContact O-N 3.39Å; P75-G78 VanDerWaalsContact O-N 3.16Å; V76-G78 PolarHBondContact O-N 3.13Å; V76-G78 VanDerWaalsContact O-N 3.07Å; G78-N145 PolarHBondContact O-N 3.35Å; G78-L146 VanDerWaalsContact O-CG 3.31Å; G78-L146 WeakPolarHBondContact O-CG 3.43Å; G78-L146 PolarHBondContact O-N 3.01Å | ||
| 79 | E | 96.8 | Very high | 88.6 | Confident | 122 Ų | 122 | 58 Ų | 58 | 57% | 0.57 | 33% | 0.325 | S | S | * | . | trans | -137 | 145.2 | 178.7 | -177.7 | 178.7 | 96.1 | 0 | 0 | 110.9 | I142 I143 | E79-I142 HydrophobicContact CG-CG2 3.71Å; E79-I143 WeakPolarHBondContact CA-O 3.45Å | ||
| 80 | V | 96 | Very high | 88.5 | Confident | 10 Ų | 10 | 59.5 Ų | 59.5 | 6% | 0.061 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 143.2 | 171 | 70.7 | 0 | 0 | 0 | 0 | 110.5 | I72 L82 I142 I143 L146 V172 | I72-V80 HydrophobicContact CD1-CG2 4.05Å; I72-V80 HydrophobicContact CG2-CG2 3.85Å; V80-L82 HydrophobicContact CG2-CD2 4.15Å; V80-I142 WeakPolarHBondContact O-CA 3.41Å; V80-I143 HydrophobicContact CG1-CB 3.97Å; V80-I143 HydrophobicContact CG1-CD1 4.2Å; V80-I143 HydrophobicContact CG1-CG1 4.25Å; V80-I143 PolarHBondContact N-O 3.23Å; V80-I143 PolarHBondContact O-N 3.48Å; V80-L146 HydrophobicContact CB-CD1 4.27Å; V80-L146 HydrophobicContact CG1-CD1 4.41Å; V80-L146 HydrophobicContact CG1-CD2 4.04Å; V80-V172 HydrophobicContact CG1-CG1 4.33Å; V80-V172 HydrophobicContact CG2-CG2 4.4Å |
| 81 | T | 95.6 | Very high | 88.5 | Confident | 52 Ų | 52 | 60.9 Ų | 60.9 | 32% | 0.319 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 118 | 172.5 | -62.5 | 0 | 0 | 0 | 0 | 109.7 | R83 N140 L141 I142 | T81-R83 HydrophobicContact CG2-CG 4.18Å; T81-N140 HydrophobicContact CG2-CB 4.13Å; T81-L141 WeakPolarHBondContact CA-O 3.4Å; T81-I142 HydrophobicContact CG2-CG1 4.07Å |
| 82 | L | 95.1 | Very high | 88.6 | Confident | 3 Ų | 3 | 54.6 Ų | 54.6 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 123 | 176.2 | -57.9 | 177.8 | 0 | 0 | 0 | 109.4 | I72 V80 W96 N140 L141 Y154 A170 V172 | I72-L82 HydrophobicContact CD1-CD2 3.61Å; V80-L82 HydrophobicContact CG2-CD2 4.15Å; L82-W96 HydrophobicContact CB-CH2 3.74Å; L82-W96 HydrophobicContact CB-CZ3 3.93Å; L82-W96 HydrophobicContact CD1-CZ3 4.24Å; L82-N140 CarbonylContact O-C 3.45Å; L82-N140 VanDerWaalsContact O-CA 3.27Å; L82-N140 WeakPolarHBondContact O-CA 3.22Å; L82-L141 HydrophobicContact CB-CB 4.41Å; L82-L141 HydrophobicContact CD1-CD2 4.48Å; L82-L141 PolarHBondContact N-O 3.38Å; L82-L141 PolarHBondContact O-N 3.11Å; L82-Y154 HydrophobicContact CD1-CD1 4.03Å; L82-Y154 HydrophobicContact CD1-CD2 3.9Å; L82-Y154 HydrophobicContact CD1-CG 3.49Å; L82-Y154 VanDerWaalsContact CD1-CG 3.49Å; L82-A170 HydrophobicContact CD2-CB 3.85Å; L82-V172 HydrophobicContact CD1-CG2 4.29Å; L82-V172 HydrophobicContact CD2-CG2 3.93Å |
| 83 | R | 92.8 | Very high | 88.5 | Confident | 182 Ų | 182 | 57.3 Ų | 57.3 | 69% | 0.687 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 121.6 | -174.2 | -55.9 | -171.4 | 179.9 | 162 | 0.4 | 110.9 | L67 T81 N140 | L67-R83 WeakPolarHBondContact CD1-O 3.44Å; T81-R83 HydrophobicContact CG2-CG 4.18Å; R83-N140 WeakPolarHBondContact CB-OD1 3.47Å; R83-N140 WeakPolarHBondContact CG-OD1 3.44Å |
| 84 | C | 91.6 | Very high | 88.6 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.007 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 127.7 | 175 | 174.7 | 0 | 0 | 0 | 0 | 109.6 | V65 H66 L67 W96 T138 T139 C156 | V65-C84 WeakPolarHBondContact CG1-SG 3.28Å; H66-C84 WeakPolarHBondContact O-CA 3.07Å; L67-C84 HydrophobicContact CB-CB 4.43Å; C84-W96 HydrophobicContact CB-CH2 3.83Å; C84-W96 HydrophobicContact CB-CZ2 3.44Å; C84-W96 VanDerWaalsContact CB-CZ2 3.44Å; C84-T138 CarbonylContact O-C 3.57Å; C84-T138 WeakPolarHBondContact O-CA 3.33Å; C84-T139 PolarHBondContact N-O 2.99Å; C84-T139 PolarHBondContact O-N 3.5Å; C84-C156 HydrophobicContact CB-CB 3.49Å; C84-C156 VanDerWaalsContact CB-CB 3.49Å; C84-C156 WeakPolarHBondContact CB-SG 3.25Å; C84-C156 WeakPolarHBondContact SG-CB 3.12Å; C84-C156 CovalentContact SG-SG 2.03Å; C84-C156 PolarHBondContact SG-SG 2.75Å |
| 85 | S | 88.2 | Confident | 88.6 | Confident | 31 Ų | 31 | 54.3 Ų | 54.3 | 22% | 0.217 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 144.1 | 170.7 | 56.1 | 0 | 0 | 0 | 0 | 111.2 | V65 H66 R137 | V65-S85 WeakPolarHBondContact CA-O 3.35Å; H66-S85 PolarHBondContact N-O 3.45Å; H66-S85 PolarHBondContact O-N 2.9Å; H66-S85 PolarHBondContact O-OG 3.41Å; S85-R137 WeakPolarHBondContact CA-O 3.43Å |
| 86 | Y | 83.4 | Confident | 88.8 | Confident | 12 Ų | 12 | 51 Ų | 51 | 5% | 0.047 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 116.8 | 172.6 | 172.6 | -115.4 | 0 | 0 | 0 | 109.3 | P64 V65 G88 E90 I94 V113 R137 F158 | P64-Y86 HydrophobicContact CB-CE2 4.36Å; P64-Y86 CarbonylContact O-C 3.5Å; P64-Y86 WeakPolarHBondContact O-CA 3.24Å; P64-Y86 WeakPolarHBondContact O-CD2 3.3Å; V65-Y86 HydrophobicContact CG2-CD2 3.66Å; V65-Y86 HydrophobicContact CG2-CG 4.39Å; Y86-G88 WeakPolarHBondContact CE1-O 3.36Å; Y86-G88 VanDerWaalsContact CZ-CA 3.44Å; Y86-G88 WeakPolarHBondContact OH-CA 3.32Å; Y86-E90 WeakPolarHBondContact OH-CB 3.36Å; Y86-E90 PolarHBondContact OH-N 3.47Å; Y86-E90 PolarHBondContact OH-O 3.03Å; Y86-I94 HydrophobicContact CD1-CD1 4.5Å; Y86-I94 HydrophobicContact CD2-CD1 4.31Å; Y86-I94 HydrophobicContact CG-CD1 4.09Å; Y86-V113 HydrophobicContact CD1-CG2 4.39Å; Y86-V113 HydrophobicContact CE1-CG2 4.36Å; Y86-R137 PolarHBondContact N-O 3.17Å; Y86-R137 WeakPolarHBondContact O-CB 3.43Å; Y86-F158 HydrophobicContact CE2-CD2 4.11Å; Y86-F158 HydrophobicContact CE2-CG 4.34Å |
| 87 | E | 79.1 | Confident | 88.9 | Confident | 120 Ų | 120 | 50.1 Ų | 50.1 | 56% | 0.561 | 26% | 0.262 | S | S | * | . | trans | -102 | 0.8 | -175.8 | -68.2 | -173.5 | -173.7 | 0 | 0 | 113.6 | P64 R137 | P64-E87 PolarHBondContact O-N 2.95Å; E87-R137 PolarHBondContact O-NH1 2.94Å; E87-R137 VanDerWaalsContact O-NH1 3.1Å | ||
| 88 | G | 73.7 | Confident | 88.9 | Confident | 18 Ų | 18 | 48.6 Ų | 48.6 | 19% | 0.186 | 24% | 0.243 | C | C | . | . | trans | -76.5 | 158.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y86 | Y86-G88 WeakPolarHBondContact CE1-O 3.36Å; Y86-G88 VanDerWaalsContact CZ-CA 3.44Å; Y86-G88 WeakPolarHBondContact OH-CA 3.32Å | ||
| 89 | D | 70.9 | Confident | 88.8 | Confident | 125 Ų | 125 | 50.3 Ų | 50.3 | 67% | 0.668 | 25% | 0.245 | S | C | * | . | trans | -100.5 | 8.6 | 173.8 | -66 | -29.5 | 0 | 0 | 0 | 112 | R137 | D89-R137 IonicContact OD1-CZ 3.39Å; D89-R137 IonicContact OD1-NH1 2.68Å; D89-R137 PolarHBondContact OD1-NH1 2.85Å; D89-R137 IonicContact OD1-NH2 3.2Å; D89-R137 PolarHBondContact OD1-NH2 3.39Å | ||
| 90 | E | 76.4 | Confident | 88.5 | Confident | 79 Ų | 79 | 46.3 Ų | 46.3 | 37% | 0.369 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -86.1 | 150.3 | -172.8 | -57.1 | 175.5 | 155.1 | 0 | 0 | 112.3 | Y86 A92 Y160 | Y86-E90 WeakPolarHBondContact OH-CB 3.36Å; Y86-E90 PolarHBondContact OH-N 3.47Å; Y86-E90 PolarHBondContact OH-O 3.03Å; E90-A92 VanDerWaalsContact C-N 3.33Å; E90-A92 PolarHBondContact O-N 3.49Å; E90-Y160 HydrophobicContact CB-CD2 3.67Å; E90-Y160 HydrophobicContact CB-CE2 3.82Å; E90-Y160 HydrophobicContact CB-CG 4.03Å; E90-Y160 VanDerWaalsContact CD-CD1 3.42Å; E90-Y160 VanDerWaalsContact CD-CE1 3.47Å; E90-Y160 HydrophobicContact CG-CD1 4.44Å; E90-Y160 HydrophobicContact CG-CD2 4.34Å; E90-Y160 HydrophobicContact CG-CE1 4.31Å; E90-Y160 HydrophobicContact CG-CE2 4.23Å; E90-Y160 HydrophobicContact CG-CG 4.42Å; E90-Y160 WeakPolarHBondContact OE1-CE1 3.46Å; E90-Y160 WeakPolarHBondContact OE2-CD1 3.37Å |
| 91 | S | 83 | Confident | 88.1 | Confident | 66 Ų | 66 | 47.2 Ų | 47.2 | 46% | 0.462 | 23% | 0.234 | S | C | . | . | trans | -67.7 | 87.9 | 169.4 | -63.9 | 0 | 0 | 0 | 0 | 110.4 | Y114 | S91-Y114 WeakPolarHBondContact OG-CE2 3.32Š| ||
| 92 | A | 86.8 | Confident | 87.4 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -113.6 | 156.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | E90 F112 V113 T159 | E90-A92 VanDerWaalsContact C-N 3.33Å; E90-A92 PolarHBondContact O-N 3.49Å; A92-F112 WeakPolarHBondContact O-CD2 3.5Å; A92-V113 HydrophobicContact CB-CG2 4.42Å; A92-V113 WeakPolarHBondContact O-CG2 3.46Å; A92-V113 PolarHBondContact O-N 3.43Å; A92-T159 WeakPolarHBondContact CA-O 3.4Å | ||
| 93 | W | 90.3 | Very high | 87 | Confident | 109 Ų | 109 | 51.5 Ų | 51.5 | 41% | 0.413 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 134.8 | 160.1 | -76 | 84.1 | 0 | 0 | 0 | 109.3 | F111 F112 I119 F158 T159 | W93-F111 WeakPolarHBondContact CA-O 3.24Å; W93-F112 AromaticContact CD1-CD2 3.92Å; W93-F112 HydrophobicContact CD2-CB 4.1Å; W93-F112 HydrophobicContact CD2-CD2 4.36Å; W93-F112 HydrophobicContact CE3-CB 4.23Å; W93-F112 HydrophobicContact CG-CD2 4.28Å; W93-F112 HydrophobicContact CH2-CB 4.12Å; W93-F112 HydrophobicContact CZ2-CB 3.98Å; W93-F112 HydrophobicContact CZ3-CB 4.24Å; W93-F112 AromaticContact NE1-CD2 3.77Å; W93-I119 HydrophobicContact CZ3-CD1 4.47Å; W93-F158 CarbonylContact O-C 3.53Å; W93-F158 WeakPolarHBondContact O-CA 3.27Å; W93-T159 PolarHBondContact N-O 2.97Å; W93-T159 PolarHBondContact O-N 3.33Å |
| 94 | I | 91.6 | Very high | 86.8 | Confident | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 130.6 | 170.6 | -52.3 | -60 | 0 | 0 | 0 | 108.3 | Y86 S110 F111 V113 T139 A157 F158 | Y86-I94 HydrophobicContact CD1-CD1 4.5Å; Y86-I94 HydrophobicContact CD2-CD1 4.31Å; Y86-I94 HydrophobicContact CG-CD1 4.09Å; I94-S110 CarbonylContact O-C 3.57Å; I94-S110 VanDerWaalsContact O-CA 3.23Å; I94-S110 WeakPolarHBondContact O-CA 3.38Å; I94-F111 HydrophobicContact CB-CD1 4.3Å; I94-F111 HydrophobicContact CB-CE1 3.72Å; I94-F111 HydrophobicContact CB-CE2 3.99Å; I94-F111 HydrophobicContact CB-CZ 3.56Å; I94-F111 HydrophobicContact CG1-CE2 3.97Å; I94-F111 HydrophobicContact CG1-CZ 3.86Å; I94-F111 HydrophobicContact CG2-CE1 3.89Å; I94-F111 HydrophobicContact CG2-CZ 3.89Å; I94-F111 PolarHBondContact N-O 3.39Å; I94-F111 PolarHBondContact O-N 3.5Å; I94-V113 HydrophobicContact CD1-CG2 4.34Å; I94-V113 HydrophobicContact CG1-CG2 3.97Å; I94-T139 HydrophobicContact CG2-CG2 4.29Å; I94-A157 WeakPolarHBondContact CA-O 3.3Å; I94-F158 HydrophobicContact CD1-CB 3.64Å |
| 95 | C | 93.5 | Very high | 86.8 | Confident | 10 Ų | 10 | 52.3 Ų | 52.3 | 7% | 0.068 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 137.1 | -177.1 | -62.8 | 0 | 0 | 0 | 0 | 110.4 | Y97 L107 S109 C156 A157 | C95-Y97 HydrophobicContact CB-CD2 4.19Å; C95-Y97 HydrophobicContact CB-CE2 3.43Å; C95-Y97 VanDerWaalsContact CB-CE2 3.43Å; C95-L107 HydrophobicContact CB-CD1 3.78Å; C95-S109 CarbonylContact C-O 3.49Å; C95-S109 WeakPolarHBondContact CA-O 3.35Å; C95-C156 CarbonylContact O-C 3.6Å; C95-C156 WeakPolarHBondContact O-CA 3.4Å; C95-A157 PolarHBondContact N-O 3.47Å; C95-A157 PolarHBondContact O-N 3.24Å |
| 96 | W | 95.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 129.8 | 170.2 | -82.4 | 94.2 | 0 | 0 | 0 | 110.1 | L67 L82 C84 I108 S109 T139 L141 Y155 C156 | L67-W96 HydrophobicContact CD1-CH2 4.5Å; L67-W96 HydrophobicContact CD2-CH2 4.32Å; L67-W96 HydrophobicContact CD2-CZ3 4.12Å; L82-W96 HydrophobicContact CB-CH2 3.74Å; L82-W96 HydrophobicContact CB-CZ3 3.93Å; L82-W96 HydrophobicContact CD1-CZ3 4.24Å; C84-W96 HydrophobicContact CB-CH2 3.83Å; C84-W96 HydrophobicContact CB-CZ2 3.44Å; C84-W96 VanDerWaalsContact CB-CZ2 3.44Å; W96-I108 HydrophobicContact CB-CB 4.21Å; W96-I108 HydrophobicContact CB-CD1 4.41Å; W96-I108 WeakPolarHBondContact O-CB 3.42Å; W96-I108 PolarHBondContact O-N 3.37Å; W96-S109 PolarHBondContact N-O 3.37Å; W96-S109 PolarHBondContact O-N 2.96Å; W96-T139 PolarHBondContact NE1-OG1 3.43Å; W96-L141 HydrophobicContact CB-CD2 4.47Å; W96-L141 HydrophobicContact CD2-CB 3.89Å; W96-L141 HydrophobicContact CD2-CD2 3.99Å; W96-L141 HydrophobicContact CE3-CB 4.02Å; W96-L141 HydrophobicContact CE3-CD2 3.67Å; W96-L141 HydrophobicContact CE3-CG 4.49Å; W96-L141 HydrophobicContact CG-CD2 4.36Å; W96-L141 HydrophobicContact CH2-CB 4.03Å; W96-L141 HydrophobicContact CZ2-CB 3.91Å; W96-L141 HydrophobicContact CZ3-CB 4.09Å; W96-L141 HydrophobicContact CZ3-CD2 4.2Å; W96-Y155 CarbonylContact C-O 3.52Å; W96-Y155 WeakPolarHBondContact CA-O 3.25Å; W96-C156 HydrophobicContact CD2-CB 4.47Å; W96-C156 HydrophobicContact CE3-CB 4.41Å; W96-C156 HydrophobicContact CH2-CB 4.23Å; W96-C156 HydrophobicContact CZ2-CB 4.26Å; W96-C156 HydrophobicContact CZ3-CB 4.29Å |
| 97 | Y | 95.6 | Very high | 87.7 | Confident | 46 Ų | 46 | 57 Ų | 57 | 18% | 0.18 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 143.6 | 178.4 | -64.9 | -90.3 | 0 | 0 | 0 | 111.1 | C95 P105 K106 L107 Y154 Y155 A157 F166 | C95-Y97 HydrophobicContact CB-CD2 4.19Å; C95-Y97 HydrophobicContact CB-CE2 3.43Å; C95-Y97 VanDerWaalsContact CB-CE2 3.43Å; Y97-P105 HydrophobicContact CD1-CB 4.21Å; Y97-K106 CarbonylContact C-O 3.51Å; Y97-K106 VanDerWaalsContact CA-O 3.25Å; Y97-K106 WeakPolarHBondContact CA-O 3.28Å; Y97-L107 HydrophobicContact CD1-CB 4.16Å; Y97-L107 HydrophobicContact CD1-CD1 4.13Å; Y97-L107 HydrophobicContact CE1-CB 3.9Å; Y97-L107 HydrophobicContact CE1-CD1 3.67Å; Y97-L107 HydrophobicContact CE1-CG 4.37Å; Y97-L107 HydrophobicContact CE2-CD1 4.16Å; Y97-Y154 CarbonylContact O-C 3.56Å; Y97-Y154 VanDerWaalsContact O-CA 3.29Å; Y97-Y154 WeakPolarHBondContact O-CA 3.48Å; Y97-Y155 PolarHBondContact N-O 2.83Å; Y97-Y155 PolarHBondContact O-N 2.81Å; Y97-A157 HydrophobicContact CD2-CB 4.21Å; Y97-A157 HydrophobicContact CE2-CB 3.89Å; Y97-F166 AromaticContact CD2-CE1 3.8Å; Y97-F166 HydrophobicContact CD2-CE1 3.8Å; Y97-F166 AromaticContact CE2-CE1 3.94Å; Y97-F166 HydrophobicContact CE2-CE1 3.94Å; Y97-F166 HydrophobicContact CE2-CZ 4.3Å; Y97-F166 HydrophobicContact CG-CE1 4.37Å |
| 98 | K | 95.4 | Very high | 88.6 | Confident | 11 Ų | 11 | 51.2 Ų | 51.2 | 5% | 0.048 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 123.7 | 166.9 | -178.8 | -178.7 | 179.1 | -177.3 | 0 | 108.5 | K106 I108 F124 S149 D150 A152 Y154 | K98-K106 PolarHBondContact N-O 3.05Å; K98-K106 PolarHBondContact O-N 3.29Å; K98-I108 HydrophobicContact CB-CD1 3.76Å; K98-I108 HydrophobicContact CB-CG1 3.85Å; K98-F124 HydrophobicContact CB-CZ 4.26Å; K98-F124 HydrophobicContact CD-CE1 4.16Å; K98-F124 HydrophobicContact CD-CZ 3.91Å; K98-S149 WeakPolarHBondContact CE-O 3.26Å; K98-S149 PolarHBondContact NZ-O 2.03Å; K98-D150 IonicContact NZ-OD1 3.33Å; K98-A152 HydrophobicContact CD-CB 4.31Å; K98-A152 HydrophobicContact CG-CB 3.64Å; K98-Y154 HydrophobicContact CB-CD1 4.21Å; K98-Y154 HydrophobicContact CB-CE1 3.93Å; K98-Y154 HydrophobicContact CD-CE1 4.1Å; K98-Y154 HydrophobicContact CG-CD1 4.38Å; K98-Y154 HydrophobicContact CG-CE1 3.79Å |
| 99 | Q | 93.1 | Very high | 89.7 | Confident | 57 Ų | 57 | 50.4 Ų | 50.4 | 27% | 0.266 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 101.3 | 171.4 | -169 | 176.6 | 17.9 | 0 | 0 | 109.9 | Q103 P105 A152 T153 Y155 | Q99-Q103 VanDerWaalsContact CG-O 3.27Å; Q99-Q103 WeakPolarHBondContact CG-O 3.28Å; Q99-Q103 PolarHBondContact NE2-O 3.35Å; Q99-Q103 VanDerWaalsContact NE2-O 3.08Å; Q99-P105 HydrophobicContact CB-CB 4.33Å; Q99-P105 HydrophobicContact CB-CG 4.24Å; Q99-P105 HydrophobicContact CG-CG 4.05Å; Q99-A152 WeakPolarHBondContact O-CB 3.4Å; Q99-T153 PolarHBondContact N-O 2.78Å; Q99-T153 PolarHBondContact O-N 2.84Å; Q99-Y155 HydrophobicContact CB-CD2 4.33Å; Q99-Y155 HydrophobicContact CB-CE2 3.81Å; Q99-Y155 VanDerWaalsContact OE1-CE2 3.28Å; Q99-Y155 PolarHBondContact OE1-OH 2.96Å |
| 100 | T | 90.4 | Very high | 90.8 | Very high | 38 Ų | 38 | 44.7 Ų | 44.7 | 23% | 0.233 | 24% | 0.236 | C | C | . | . | trans | -64.8 | 145.7 | 168.4 | -52.3 | 0 | 0 | 0 | 0 | 109.3 | G102 Q103 | T100-G102 PolarHBondContact O-N 3Å; T100-Q103 HydrophobicContact CG2-CG 4.43Å; T100-Q103 PolarHBondContact O-N 3Å | ||
| 101 | L | 86.8 | Confident | 91.5 | Very high | 30 Ų | 30 | 41.4 Ų | 41.4 | 16% | 0.157 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 124 | -177.6 | -171.6 | 64.1 | 0 | 0 | 0 | 111.8 | Q103 Y217 F219 V271 I278 | L101-Q103 PolarHBondContact O-N 3.44Å; L101-Y217 HydrophobicContact CD1-CG 4.42Å; L101-Y217 HydrophobicContact CD2-CD2 3.42Å; L101-Y217 VanDerWaalsContact CD2-CD2 3.42Å; L101-Y217 HydrophobicContact CD2-CE2 3.59Å; L101-Y217 HydrophobicContact CD2-CG 4.05Å; L101-Y217 HydrophobicContact CG-CD1 4.24Å; L101-Y217 HydrophobicContact CG-CD2 3.79Å; L101-Y217 HydrophobicContact CG-CE1 4.29Å; L101-Y217 HydrophobicContact CG-CE2 3.81Å; L101-Y217 HydrophobicContact CG-CG 4.02Å; L101-Y217 PolarHBondContact O-OH 3.1Å; L101-F219 HydrophobicContact CD1-CE2 3.76Å; L101-F219 HydrophobicContact CD1-CZ 3.57Å; L101-V271 HydrophobicContact CD2-CG1 3.73Å; L101-I278 HydrophobicContact CB-CD1 4.14Å; L101-I278 HydrophobicContact CD2-CD1 4.31Å; L101-I278 HydrophobicContact CD2-CG1 4.41Å; L101-I278 HydrophobicContact CD2-CG2 4.06Å |
| 102 | G | 81.3 | Confident | 91.9 | Very high | 45 Ų | 45 | 41 Ų | 41 | 46% | 0.464 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | 2.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | T100 | T100-G102 PolarHBondContact O-N 3Š|
| 103 | Q | 86 | Confident | 91.9 | Very high | 99 Ų | 99 | 43.6 Ų | 43.6 | 46% | 0.463 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -107.9 | 165.1 | 177.3 | -59.8 | -169.8 | -12.4 | 0 | 0 | 111.3 | Q99 T100 L101 | Q99-Q103 VanDerWaalsContact CG-O 3.27Å; Q99-Q103 WeakPolarHBondContact CG-O 3.28Å; Q99-Q103 PolarHBondContact NE2-O 3.35Å; Q99-Q103 VanDerWaalsContact NE2-O 3.08Å; T100-Q103 HydrophobicContact CG2-CG 4.43Å; T100-Q103 PolarHBondContact O-N 3Å; L101-Q103 PolarHBondContact O-N 3.44Å |
| 104 | N | 89.6 | Confident | 91.7 | Very high | 140 Ų | 140 | 45.7 Ų | 45.7 | 75% | 0.749 | 24% | 0.236 | S | C | * | . | P | Polyproline II helix | trans | -71.8 | 146 | 173 | -64.7 | -20.9 | 0 | 0 | 0 | 110.4 | K106 | N104-K106 PolarHBondContact O-N 3.06Š|
| 105 | P | 92.4 | Very high | 91.5 | Very high | 60 Ų | 60 | 47.5 Ų | 47.5 | 39% | 0.39 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -57.4 | 130.1 | 172.9 | -22.1 | 32.1 | 0 | 0 | 0 | 111.5 | Y97 Q99 | Y97-P105 HydrophobicContact CD1-CB 4.21Å; Q99-P105 HydrophobicContact CB-CB 4.33Å; Q99-P105 HydrophobicContact CB-CG 4.24Å; Q99-P105 HydrophobicContact CG-CG 4.05Å |
| 106 | K | 95.3 | Very high | 91 | Very high | 89 Ų | 89 | 52.3 Ų | 52.3 | 39% | 0.387 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 135 | 172.8 | -62.8 | -173.8 | -173.6 | -177.8 | 0 | 109.8 | Y97 K98 N104 I108 E123 F124 | Y97-K106 CarbonylContact C-O 3.51Å; Y97-K106 VanDerWaalsContact CA-O 3.25Å; Y97-K106 WeakPolarHBondContact CA-O 3.28Å; K98-K106 PolarHBondContact N-O 3.05Å; K98-K106 PolarHBondContact O-N 3.29Å; N104-K106 PolarHBondContact O-N 3.06Å; K106-I108 PolarHBondContact O-N 3.04Å; K106-E123 WeakPolarHBondContact CD-OE1 3.46Å; K106-E123 IonicContact NZ-OE1 3.07Å; K106-E123 PolarHBondContact NZ-OE1 3.32Å; K106-E123 IonicContact NZ-OE2 2.72Å; K106-F124 HydrophobicContact CB-CE2 4.45Å |
| 107 | L | 95.5 | Very high | 90.6 | Very high | 52 Ų | 52 | 58.7 Ų | 58.7 | 27% | 0.272 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 124.3 | 174.7 | -175.3 | 66.2 | 0 | 0 | 0 | 109.6 | C95 Y97 Y121 | C95-L107 HydrophobicContact CB-CD1 3.78Å; Y97-L107 HydrophobicContact CD1-CB 4.16Å; Y97-L107 HydrophobicContact CD1-CD1 4.13Å; Y97-L107 HydrophobicContact CE1-CB 3.9Å; Y97-L107 HydrophobicContact CE1-CD1 3.67Å; Y97-L107 HydrophobicContact CE1-CG 4.37Å; Y97-L107 HydrophobicContact CE2-CD1 4.16Å; L107-Y121 HydrophobicContact CD2-CD1 4.46Å; L107-Y121 HydrophobicContact CD2-CD2 3.5Å; L107-Y121 HydrophobicContact CD2-CE1 4.48Å; L107-Y121 HydrophobicContact CD2-CE2 3.53Å; L107-Y121 HydrophobicContact CD2-CG 3.99Å; L107-Y121 HydrophobicContact CG-CD2 3.72Å; L107-Y121 HydrophobicContact CG-CE2 4.1Å; L107-Y121 HydrophobicContact CG-CG 4.37Å |
| 108 | I | 97 | Very high | 90.5 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | -57.6 | 175.5 | -55 | 173.8 | 0 | 0 | 0 | 109.2 | W96 K98 K106 F120 Y121 F124 F130 L141 Y154 | W96-I108 HydrophobicContact CB-CB 4.21Å; W96-I108 HydrophobicContact CB-CD1 4.41Å; W96-I108 WeakPolarHBondContact O-CB 3.42Å; W96-I108 PolarHBondContact O-N 3.37Å; K98-I108 HydrophobicContact CB-CD1 3.76Å; K98-I108 HydrophobicContact CB-CG1 3.85Å; K106-I108 PolarHBondContact O-N 3.04Å; I108-F120 HydrophobicContact CG2-CD1 4.23Å; I108-F120 HydrophobicContact CG2-CE1 4.28Å; I108-F120 WeakPolarHBondContact O-CA 3.49Å; I108-Y121 PolarHBondContact O-N 2.8Å; I108-F124 HydrophobicContact CB-CD2 4.18Å; I108-F124 HydrophobicContact CB-CE2 4.43Å; I108-F124 HydrophobicContact CB-CG 4.3Å; I108-F124 HydrophobicContact CG1-CD2 4.26Å; I108-F124 HydrophobicContact CG1-CE1 4.33Å; I108-F124 HydrophobicContact CG1-CE2 4.01Å; I108-F124 HydrophobicContact CG1-CZ 4.06Å; I108-F124 HydrophobicContact CG2-CB 4.02Å; I108-F124 HydrophobicContact CG2-CD1 4.01Å; I108-F124 HydrophobicContact CG2-CD2 4.2Å; I108-F124 HydrophobicContact CG2-CG 3.8Å; I108-F130 HydrophobicContact CG2-CD1 4.12Å; I108-L141 HydrophobicContact CD1-CD2 3.69Å; I108-L141 HydrophobicContact CG2-CD1 4.48Å; I108-Y154 HydrophobicContact CD1-CD1 3.73Å; I108-Y154 HydrophobicContact CD1-CE1 3.82Å |
| 109 | S | 95.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 151.1 | -173 | 179.2 | 0 | 0 | 0 | 0 | 110.8 | C95 W96 I119 L132 | C95-S109 CarbonylContact C-O 3.49Å; C95-S109 WeakPolarHBondContact CA-O 3.35Å; W96-S109 PolarHBondContact N-O 3.37Å; W96-S109 PolarHBondContact O-N 2.96Å; S109-I119 CarbonylContact C-O 3.6Å; S109-I119 WeakPolarHBondContact CA-O 3.31Å; S109-I119 VanDerWaalsContact CB-O 3.27Å; S109-I119 WeakPolarHBondContact CB-O 3.46Å; S109-I119 PolarHBondContact OG-O 2.98Å; S109-L132 WeakPolarHBondContact OG-CD2 3.41Å |
| 110 | S | 94.3 | Very high | 90.6 | Very high | 5 Ų | 5 | 60.7 Ų | 60.7 | 4% | 0.035 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 153.9 | 170.1 | 86.5 | 0 | 0 | 0 | 0 | 111 | I94 I119 Y121 | I94-S110 CarbonylContact O-C 3.57Å; I94-S110 VanDerWaalsContact O-CA 3.23Å; I94-S110 WeakPolarHBondContact O-CA 3.38Å; S110-I119 PolarHBondContact N-O 2.87Å; S110-I119 PolarHBondContact O-N 3.01Å; S110-Y121 WeakPolarHBondContact OG-CE2 3.32Å; S110-Y121 PolarHBondContact OG-OH 2.68Å |
| 111 | F | 92.4 | Very high | 90.9 | Very high | 10 Ų | 10 | 62.7 Ų | 62.7 | 4% | 0.044 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 150.7 | 169.9 | 63.1 | -84.7 | 0 | 0 | 0 | 110.5 | W93 I94 E117 L132 R134 T139 | W93-F111 WeakPolarHBondContact CA-O 3.24Å; I94-F111 HydrophobicContact CB-CD1 4.3Å; I94-F111 HydrophobicContact CB-CE1 3.72Å; I94-F111 HydrophobicContact CB-CE2 3.99Å; I94-F111 HydrophobicContact CB-CZ 3.56Å; I94-F111 HydrophobicContact CG1-CE2 3.97Å; I94-F111 HydrophobicContact CG1-CZ 3.86Å; I94-F111 HydrophobicContact CG2-CE1 3.89Å; I94-F111 HydrophobicContact CG2-CZ 3.89Å; I94-F111 PolarHBondContact N-O 3.39Å; I94-F111 PolarHBondContact O-N 3.5Å; F111-E117 WeakPolarHBondContact CB-O 3Å; F111-L132 HydrophobicContact CD1-CD2 3.66Å; F111-L132 HydrophobicContact CE1-CD2 3.74Å; F111-R134 HydrophobicContact CE1-CG 4.36Å; F111-R134 VanDerWaalsContact CE2-CD 3.45Å; F111-R134 HydrophobicContact CE2-CG 4.24Å; F111-R134 HydrophobicContact CZ-CG 4Å; F111-T139 HydrophobicContact CE1-CG2 4.38Å; F111-T139 HydrophobicContact CZ-CG2 3.65Å |
| 112 | F | 90.7 | Very high | 91.3 | Very high | 59 Ų | 59 | 64.2 Ų | 64.2 | 26% | 0.259 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 137.6 | 169.5 | -174.4 | -120.2 | 0 | 0 | 0 | 109.3 | A92 W93 Y114 S115 | A92-F112 WeakPolarHBondContact O-CD2 3.5Å; W93-F112 AromaticContact CD1-CD2 3.92Å; W93-F112 HydrophobicContact CD2-CB 4.1Å; W93-F112 HydrophobicContact CD2-CD2 4.36Å; W93-F112 HydrophobicContact CE3-CB 4.23Å; W93-F112 HydrophobicContact CG-CD2 4.28Å; W93-F112 HydrophobicContact CH2-CB 4.12Å; W93-F112 HydrophobicContact CZ2-CB 3.98Å; W93-F112 HydrophobicContact CZ3-CB 4.24Å; W93-F112 AromaticContact NE1-CD2 3.77Å; F112-Y114 HydrophobicContact CD1-CD2 4.31Å; F112-Y114 AromaticContact CE1-CD2 3.52Å; F112-Y114 HydrophobicContact CE1-CD2 3.52Å; F112-Y114 HydrophobicContact CE1-CG 4.19Å; F112-Y114 AromaticContact CZ-CD2 3.74Å; F112-Y114 HydrophobicContact CZ-CD2 3.74Å; F112-Y114 HydrophobicContact CZ-CE2 4.38Å; F112-Y114 PolarHBondContact O-N 3.02Å; F112-S115 WeakPolarHBondContact O-CB 3.45Å; F112-S115 PolarHBondContact O-N 2.78Å |
| 113 | V | 87.2 | Confident | 91.9 | Very high | 54 Ų | 54 | 67.2 Ų | 67.2 | 33% | 0.327 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -32.7 | -172.8 | 170.4 | 0 | 0 | 0 | 0 | 113.1 | Y86 A92 I94 | Y86-V113 HydrophobicContact CD1-CG2 4.39Å; Y86-V113 HydrophobicContact CE1-CG2 4.36Å; A92-V113 HydrophobicContact CB-CG2 4.42Å; A92-V113 WeakPolarHBondContact O-CG2 3.46Å; A92-V113 PolarHBondContact O-N 3.43Å; I94-V113 HydrophobicContact CD1-CG2 4.34Å; I94-V113 HydrophobicContact CG1-CG2 3.97Å |
| 114 | Y | 85.2 | Confident | 92.3 | Very high | 152 Ų | 152 | 62.8 Ų | 62.8 | 60% | 0.596 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -5.5 | 178.9 | -56.1 | -63.4 | 0 | 0 | 0 | 114.9 | S91 F112 | S91-Y114 WeakPolarHBondContact OG-CE2 3.32Å; F112-Y114 HydrophobicContact CD1-CD2 4.31Å; F112-Y114 AromaticContact CE1-CD2 3.52Å; F112-Y114 HydrophobicContact CE1-CD2 3.52Å; F112-Y114 HydrophobicContact CE1-CG 4.19Å; F112-Y114 AromaticContact CZ-CD2 3.74Å; F112-Y114 HydrophobicContact CZ-CD2 3.74Å; F112-Y114 HydrophobicContact CZ-CE2 4.38Å; F112-Y114 PolarHBondContact O-N 3.02Å |
| 115 | S | 87.2 | Confident | 92.4 | Very high | 40 Ų | 40 | 62.1 Ų | 62.1 | 28% | 0.28 | 32% | 0.324 | S | S | . | . | trans | -83.8 | 137.8 | 179 | 179.3 | 0 | 0 | 0 | 0 | 111.1 | F112 E117 R134 | F112-S115 WeakPolarHBondContact O-CB 3.45Å; F112-S115 PolarHBondContact O-N 2.78Å; S115-E117 PolarHBondContact O-N 2.84Å; S115-E117 PolarHBondContact OG-N 2.83Å; S115-R134 PolarHBondContact O-NH1 2.93Å | ||
| 116 | P | 83.8 | Confident | 92.3 | Very high | 111 Ų | 111 | 67.1 Ų | 67.1 | 72% | 0.721 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -76.6 | -4.6 | 173.2 | 33.4 | -35.5 | 0 | 0 | 0 | 113.1 | R134 | P116-R134 PolarHBondContact O-NH2 3.42Š|
| 117 | E | 88.6 | Confident | 92.2 | Very high | 135 Ų | 135 | 64.9 Ų | 64.9 | 63% | 0.631 | 34% | 0.34 | S | S | * | . | trans | -102.7 | 145.2 | -175.9 | -66.4 | 175.8 | -170.4 | 0 | 0 | 112.4 | F111 S115 R134 | F111-E117 WeakPolarHBondContact CB-O 3Å; S115-E117 PolarHBondContact O-N 2.84Å; S115-E117 PolarHBondContact OG-N 2.83Å; E117-R134 PolarHBondContact O-NH1 2.85Å | ||
| 118 | N | 92.3 | Very high | 92.1 | Very high | 49 Ų | 49 | 67.8 Ų | 67.8 | 26% | 0.262 | 36% | 0.364 | S | S | . | . | trans | -106.9 | 126.2 | 167.5 | -65.7 | -36.6 | 0 | 0 | 0 | 108 | F120 L132 R134 | N118-F120 HydrophobicContact CB-CE2 4.15Å; N118-L132 HydrophobicContact CB-CD2 4.28Å; N118-L132 PolarHBondContact ND2-O 2.81Å; N118-R134 VanDerWaalsContact OD1-CD 3.25Å; N118-R134 WeakPolarHBondContact OD1-CD 3.35Å; N118-R134 PolarHBondContact OD1-NE 3.38Å; N118-R134 PolarHBondContact OD1-NH1 2.92Å | ||
| 119 | I | 95.1 | Very high | 92.1 | Very high | 69 Ų | 69 | 68.8 Ų | 68.8 | 35% | 0.354 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 129.3 | 177.3 | -53.5 | 171.8 | 0 | 0 | 0 | 107.5 | W93 S109 S110 Y121 | W93-I119 HydrophobicContact CZ3-CD1 4.47Å; S109-I119 CarbonylContact C-O 3.6Å; S109-I119 WeakPolarHBondContact CA-O 3.31Å; S109-I119 VanDerWaalsContact CB-O 3.27Å; S109-I119 WeakPolarHBondContact CB-O 3.46Å; S109-I119 PolarHBondContact OG-O 2.98Å; S110-I119 PolarHBondContact N-O 2.87Å; S110-I119 PolarHBondContact O-N 3.01Å; I119-Y121 HydrophobicContact CB-CE2 4.15Å; I119-Y121 HydrophobicContact CG2-CE1 3.85Å; I119-Y121 HydrophobicContact CG2-CE2 3.85Å; I119-Y121 VanDerWaalsContact CG2-CZ 3.47Å |
| 120 | F | 96.6 | Very high | 92.1 | Very high | 37 Ų | 37 | 69.2 Ų | 69.2 | 16% | 0.162 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 152.9 | 172.1 | -75.1 | -95.6 | 0 | 0 | 0 | 109.7 | I108 N118 F124 E125 F130 L132 | I108-F120 HydrophobicContact CG2-CD1 4.23Å; I108-F120 HydrophobicContact CG2-CE1 4.28Å; I108-F120 WeakPolarHBondContact O-CA 3.49Å; N118-F120 HydrophobicContact CB-CE2 4.15Å; F120-F124 HydrophobicContact CD1-CB 4.18Å; F120-E125 HydrophobicContact CB-CB 4.39Å; F120-F130 HydrophobicContact CE1-CB 4.13Å; F120-L132 HydrophobicContact CE2-CB 4.37Å; F120-L132 HydrophobicContact CZ-CB 3.75Å |
| 121 | Y | 96.3 | Very high | 92.2 | Very high | 80 Ų | 80 | 72 Ų | 72 | 31% | 0.314 | 39% | 0.386 | S | S | . | . | trans | -126.9 | 146.6 | -172.5 | -60.6 | -88.3 | 0 | 0 | 0 | 112.4 | L107 I108 S110 I119 E123 F124 | L107-Y121 HydrophobicContact CD2-CD1 4.46Å; L107-Y121 HydrophobicContact CD2-CD2 3.5Å; L107-Y121 HydrophobicContact CD2-CE1 4.48Å; L107-Y121 HydrophobicContact CD2-CE2 3.53Å; L107-Y121 HydrophobicContact CD2-CG 3.99Å; L107-Y121 HydrophobicContact CG-CD2 3.72Å; L107-Y121 HydrophobicContact CG-CE2 4.1Å; L107-Y121 HydrophobicContact CG-CG 4.37Å; I108-Y121 PolarHBondContact O-N 2.8Å; S110-Y121 WeakPolarHBondContact OG-CE2 3.32Å; S110-Y121 PolarHBondContact OG-OH 2.68Å; I119-Y121 HydrophobicContact CB-CE2 4.15Å; I119-Y121 HydrophobicContact CG2-CE1 3.85Å; I119-Y121 HydrophobicContact CG2-CE2 3.85Å; I119-Y121 VanDerWaalsContact CG2-CZ 3.47Å; Y121-E123 PolarHBondContact O-N 3.24Å; Y121-F124 WeakPolarHBondContact O-CB 3.39Å; Y121-F124 WeakPolarHBondContact O-CD2 3.47Å; Y121-F124 PolarHBondContact O-N 3.31Å; Y121-F124 VanDerWaalsContact O-N 3.1Å | ||
| 122 | G | 94.6 | Very high | 92.3 | Very high | 63 Ų | 63 | 72 Ų | 72 | 65% | 0.649 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | 57 | -126 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | F124 E125 | G122-F124 PolarHBondContact O-N 2.84Å; G122-E125 PolarHBondContact O-N 3.26Å |
| 123 | E | 93.2 | Very high | 92.4 | Very high | 107 Ų | 107 | 73 Ų | 73 | 50% | 0.5 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -66.4 | -7.3 | -178.3 | 68.2 | -174.2 | 151.6 | 0 | 0 | 114.5 | K106 Y121 N127 | K106-E123 WeakPolarHBondContact CD-OE1 3.46Å; K106-E123 IonicContact NZ-OE1 3.07Å; K106-E123 PolarHBondContact NZ-OE1 3.32Å; K106-E123 IonicContact NZ-OE2 2.72Å; Y121-E123 PolarHBondContact O-N 3.24Å; E123-N127 PolarHBondContact O-ND2 2.88Å |
| 124 | F | 95.1 | Very high | 92.6 | Very high | 7 Ų | 7 | 74.2 Ų | 74.2 | 3% | 0.031 | 39% | 0.393 | C | S | . | . | G | 310 helix | trans | -101.2 | -15.7 | -178.2 | -50.6 | -74.7 | 0 | 0 | 0 | 113.6 | K98 K106 I108 F120 Y121 G122 N126 N127 F130 | K98-F124 HydrophobicContact CB-CZ 4.26Å; K98-F124 HydrophobicContact CD-CE1 4.16Å; K98-F124 HydrophobicContact CD-CZ 3.91Å; K106-F124 HydrophobicContact CB-CE2 4.45Å; I108-F124 HydrophobicContact CB-CD2 4.18Å; I108-F124 HydrophobicContact CB-CE2 4.43Å; I108-F124 HydrophobicContact CB-CG 4.3Å; I108-F124 HydrophobicContact CG1-CD2 4.26Å; I108-F124 HydrophobicContact CG1-CE1 4.33Å; I108-F124 HydrophobicContact CG1-CE2 4.01Å; I108-F124 HydrophobicContact CG1-CZ 4.06Å; I108-F124 HydrophobicContact CG2-CB 4.02Å; I108-F124 HydrophobicContact CG2-CD1 4.01Å; I108-F124 HydrophobicContact CG2-CD2 4.2Å; I108-F124 HydrophobicContact CG2-CG 3.8Å; F120-F124 HydrophobicContact CD1-CB 4.18Å; Y121-F124 WeakPolarHBondContact O-CB 3.39Å; Y121-F124 WeakPolarHBondContact O-CD2 3.47Å; Y121-F124 PolarHBondContact O-N 3.31Å; Y121-F124 VanDerWaalsContact O-N 3.1Å; G122-F124 PolarHBondContact O-N 2.84Å; F124-N126 PolarHBondContact O-N 2.81Å; F124-N127 PolarHBondContact O-N 2.83Å; F124-F130 HydrophobicContact CD1-CD1 4.06Å; F124-F130 AromaticContact CD1-CD2 3.94Å; F124-F130 HydrophobicContact CD1-CD2 3.94Å; F124-F130 AromaticContact CD1-CE1 3.93Å; F124-F130 HydrophobicContact CD1-CE1 3.93Å; F124-F130 AromaticContact CD1-CE2 3.8Å; F124-F130 HydrophobicContact CD1-CE2 3.8Å; F124-F130 HydrophobicContact CD1-CG 4.07Å; F124-F130 AromaticContact CD1-CZ 3.82Å; F124-F130 HydrophobicContact CD1-CZ 3.82Å; F124-F130 HydrophobicContact CE1-CD1 4.46Å; F124-F130 AromaticContact CE1-CE1 3.89Å; F124-F130 HydrophobicContact CE1-CE1 3.89Å; F124-F130 HydrophobicContact CE1-CE2 4.03Å; F124-F130 AromaticContact CE1-CZ 3.66Å; F124-F130 HydrophobicContact CE1-CZ 3.66Å |
| 125 | E | 92.3 | Very high | 92.6 | Very high | 126 Ų | 126 | 74.3 Ų | 74.3 | 59% | 0.589 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -46 | -172.4 | -169.4 | 172.5 | -176.1 | 0 | 0 | 113.4 | F120 G122 | F120-E125 HydrophobicContact CB-CB 4.39Å; G122-E125 PolarHBondContact O-N 3.26Å |
| 126 | N | 89.5 | Confident | 92.3 | Very high | 164 Ų | 164 | 80.1 Ų | 80.1 | 88% | 0.877 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.3 | 28.8 | 179 | -69.5 | -35.2 | 0 | 0 | 0 | 112.5 | F124 | F124-N126 PolarHBondContact O-N 2.81Š|
| 127 | N | 93.8 | Very high | 92.3 | Very high | 43 Ų | 43 | 80.5 Ų | 80.5 | 23% | 0.23 | 41% | 0.411 | C | S | . | . | trans | -108.6 | 93.5 | -175 | -159.3 | -27.7 | 0 | 0 | 0 | 111.1 | E123 F124 R129 F130 | E123-N127 PolarHBondContact O-ND2 2.88Å; F124-N127 PolarHBondContact O-N 2.83Å; N127-R129 PolarHBondContact O-N 2.92Å; N127-R129 WeakPolarHBondContact OD1-CB 3.34Å; N127-R129 WeakPolarHBondContact OD1-CG 3.38Å; N127-R129 PolarHBondContact OD1-N 3.06Å; N127-R129 PolarHBondContact OD1-NE 2.92Å; N127-F130 HydrophobicContact CB-CD2 4.15Å; N127-F130 PolarHBondContact O-N 2.81Å | ||
| 128 | S | 93.6 | Very high | 92.2 | Very high | 112 Ų | 112 | 76.6 Ų | 76.6 | 78% | 0.783 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -12.1 | -178.2 | 58.7 | 0 | 0 | 0 | 0 | 114.8 | F130 | S128-F130 VanDerWaalsContact C-N 3.32Š|
| 129 | R | 96.9 | Very high | 92.2 | Very high | 22 Ų | 22 | 74.6 Ų | 74.6 | 8% | 0.083 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -28.6 | 174.1 | -59.4 | -171.9 | -48.1 | 113.5 | -3.9 | 113 | N127 I143 S144 N145 D150 | N127-R129 PolarHBondContact O-N 2.92Å; N127-R129 WeakPolarHBondContact OD1-CB 3.34Å; N127-R129 WeakPolarHBondContact OD1-CG 3.38Å; N127-R129 PolarHBondContact OD1-N 3.06Å; N127-R129 PolarHBondContact OD1-NE 2.92Å; R129-I143 WeakPolarHBondContact O-CA 3.46Å; R129-S144 WeakPolarHBondContact CA-OG 3.34Å; R129-S144 WeakPolarHBondContact CB-O 3.32Å; R129-S144 PolarHBondContact NH1-O 3.07Å; R129-S144 PolarHBondContact O-N 2.03Å; R129-S144 PolarHBondContact O-OG 2.85Å; R129-N145 HydrophobicContact CG-CB 4.4Å; R129-N145 PolarHBondContact NH1-O 2.93Å; R129-D150 IonicContact CZ-OD2 3.55Å; R129-D150 IonicContact NH1-OD1 3.59Å; R129-D150 IonicContact NH1-OD2 2.87Å; R129-D150 PolarHBondContact NH1-OD2 2.78Å; R129-D150 IonicContact NH2-OD1 2.78Å; R129-D150 PolarHBondContact NH2-OD1 2.82Å; R129-D150 VanDerWaalsContact NH2-OD1 3.1Å; R129-D150 IonicContact NH2-OD2 4Å; R129-D150 PolarHBondContact NH2-OD2 2.86Å |
| 130 | F | 96.5 | Very high | 92.1 | Very high | 9 Ų | 9 | 72.7 Ų | 72.7 | 4% | 0.039 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 115.4 | -180 | -71.1 | -98.3 | 0 | 0 | 0 | 109.1 | I108 F120 F124 N127 S128 L141 I142 I143 Y154 | I108-F130 HydrophobicContact CG2-CD1 4.12Å; F120-F130 HydrophobicContact CE1-CB 4.13Å; F124-F130 HydrophobicContact CD1-CD1 4.06Å; F124-F130 AromaticContact CD1-CD2 3.94Å; F124-F130 HydrophobicContact CD1-CD2 3.94Å; F124-F130 AromaticContact CD1-CE1 3.93Å; F124-F130 HydrophobicContact CD1-CE1 3.93Å; F124-F130 AromaticContact CD1-CE2 3.8Å; F124-F130 HydrophobicContact CD1-CE2 3.8Å; F124-F130 HydrophobicContact CD1-CG 4.07Å; F124-F130 AromaticContact CD1-CZ 3.82Å; F124-F130 HydrophobicContact CD1-CZ 3.82Å; F124-F130 HydrophobicContact CE1-CD1 4.46Å; F124-F130 AromaticContact CE1-CE1 3.89Å; F124-F130 HydrophobicContact CE1-CE1 3.89Å; F124-F130 HydrophobicContact CE1-CE2 4.03Å; F124-F130 AromaticContact CE1-CZ 3.66Å; F124-F130 HydrophobicContact CE1-CZ 3.66Å; N127-F130 HydrophobicContact CB-CD2 4.15Å; N127-F130 PolarHBondContact O-N 2.81Å; S128-F130 VanDerWaalsContact C-N 3.32Å; F130-L141 HydrophobicContact CD1-CD1 4.37Å; F130-I142 WeakPolarHBondContact CA-O 3.48Å; F130-I143 HydrophobicContact CD1-CD1 4.22Å; F130-I143 HydrophobicContact CD1-CG1 3.86Å; F130-I143 HydrophobicContact CD1-CG2 4.24Å; F130-I143 HydrophobicContact CE1-CB 4.43Å; F130-I143 HydrophobicContact CE1-CD1 3.67Å; F130-I143 HydrophobicContact CE1-CG1 3.76Å; F130-I143 HydrophobicContact CE1-CG2 3.85Å; F130-I143 HydrophobicContact CE2-CG2 4.2Å; F130-I143 HydrophobicContact CZ-CD1 4.44Å; F130-I143 HydrophobicContact CZ-CG2 3.81Å; F130-Y154 HydrophobicContact CE1-CE1 4.39Å |
| 131 | T | 95.6 | Very high | 92.1 | Very high | 62 Ų | 62 | 71 Ų | 71 | 38% | 0.38 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 133.8 | 178.6 | -58.6 | 0 | 0 | 0 | 0 | 109.7 | I133 I142 | T131-I133 HydrophobicContact CG2-CG1 4Å; T131-I142 PolarHBondContact N-O 2.68Å; T131-I142 PolarHBondContact O-N 2.92Å |
| 132 | L | 95 | Very high | 92.1 | Very high | 11 Ų | 11 | 68.4 Ų | 68.4 | 6% | 0.058 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 109.8 | 176.5 | -174.6 | 63.6 | 0 | 0 | 0 | 110.3 | S109 F111 N118 F120 L141 | S109-L132 WeakPolarHBondContact OG-CD2 3.41Å; F111-L132 HydrophobicContact CD1-CD2 3.66Å; F111-L132 HydrophobicContact CE1-CD2 3.74Å; N118-L132 HydrophobicContact CB-CD2 4.28Å; N118-L132 PolarHBondContact ND2-O 2.81Å; F120-L132 HydrophobicContact CE2-CB 4.37Å; F120-L132 HydrophobicContact CZ-CB 3.75Å; L132-L141 HydrophobicContact CD1-CB 4.44Å |
| 133 | I | 92.7 | Very high | 92.2 | Very high | 81 Ų | 81 | 65.4 Ų | 65.4 | 42% | 0.415 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 125.6 | 178.5 | -56.2 | -174.1 | 0 | 0 | 0 | 109.4 | T131 N140 I142 | T131-I133 HydrophobicContact CG2-CG1 4Å; I133-N140 HydrophobicContact CB-CB 4.48Å; I133-N140 PolarHBondContact N-O 3.4Å; I133-N140 PolarHBondContact O-N 3Å; I133-I142 HydrophobicContact CD1-CD1 3.52Å; I133-I142 HydrophobicContact CG1-CD1 4.11Å |
| 134 | R | 90.1 | Very high | 92.4 | Very high | 79 Ų | 79 | 61.9 Ų | 61.9 | 30% | 0.298 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 129.4 | 176.7 | -62.3 | 174.1 | -61.8 | 175 | 2.7 | 109.5 | F111 S115 P116 E117 N118 | F111-R134 HydrophobicContact CE1-CG 4.36Å; F111-R134 VanDerWaalsContact CE2-CD 3.45Å; F111-R134 HydrophobicContact CE2-CG 4.24Å; F111-R134 HydrophobicContact CZ-CG 4Å; S115-R134 PolarHBondContact O-NH1 2.93Å; P116-R134 PolarHBondContact O-NH2 3.42Å; E117-R134 PolarHBondContact O-NH1 2.85Å; N118-R134 VanDerWaalsContact OD1-CD 3.25Å; N118-R134 WeakPolarHBondContact OD1-CD 3.35Å; N118-R134 PolarHBondContact OD1-NE 3.38Å; N118-R134 PolarHBondContact OD1-NH1 2.92Å |
| 135 | K | 85 | Confident | 92.5 | Very high | 153 Ų | 153 | 65.9 Ų | 65.9 | 67% | 0.665 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 112.9 | 176.3 | -171.3 | 176.5 | -178 | 177.8 | 0 | 109.2 | R137 T138 | K135-R137 PolarHBondContact O-N 3.22Å; K135-T138 PolarHBondContact N-O 3.28Å; K135-T138 PolarHBondContact O-N 3.42Å; K135-T138 PolarHBondContact O-OG1 3.22Å |
| 136 | N | 82.4 | Confident | 92.6 | Very high | 162 Ų | 162 | 60 Ų | 60 | 87% | 0.866 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | -124.9 | -177.4 | -166.9 | 17.6 | 0 | 0 | 0 | 110.4 | T138 | N136-T138 VanDerWaalsContact C-N 3.29Å; N136-T138 PolarHBondContact O-N 3.25Å |
| 137 | R | 82.2 | Confident | 92.8 | Very high | 119 Ų | 119 | 57.1 Ų | 57.1 | 45% | 0.449 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 14.6 | 176.6 | -71.4 | -169.5 | -173.8 | -146.2 | -4.6 | 114.8 | S85 Y86 E87 D89 K135 | S85-R137 WeakPolarHBondContact CA-O 3.43Å; Y86-R137 PolarHBondContact N-O 3.17Å; Y86-R137 WeakPolarHBondContact O-CB 3.43Å; E87-R137 PolarHBondContact O-NH1 2.94Å; E87-R137 VanDerWaalsContact O-NH1 3.1Å; D89-R137 IonicContact OD1-CZ 3.39Å; D89-R137 IonicContact OD1-NH1 2.68Å; D89-R137 PolarHBondContact OD1-NH1 2.85Å; D89-R137 IonicContact OD1-NH2 3.2Å; D89-R137 PolarHBondContact OD1-NH2 3.39Å; K135-R137 PolarHBondContact O-N 3.22Å |
| 138 | T | 87.9 | Confident | 92.5 | Very high | 53 Ų | 53 | 56.9 Ų | 56.9 | 33% | 0.325 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 143.7 | -177.6 | 63.8 | 0 | 0 | 0 | 0 | 112.2 | C84 K135 N136 | C84-T138 CarbonylContact O-C 3.57Å; C84-T138 WeakPolarHBondContact O-CA 3.33Å; K135-T138 PolarHBondContact N-O 3.28Å; K135-T138 PolarHBondContact O-N 3.42Å; K135-T138 PolarHBondContact O-OG1 3.22Å; N136-T138 VanDerWaalsContact C-N 3.29Å; N136-T138 PolarHBondContact O-N 3.25Å |
| 139 | T | 91.3 | Very high | 92.3 | Very high | 7 Ų | 7 | 55.1 Ų | 55.1 | 4% | 0.043 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 120.7 | -176.8 | 103.7 | 0 | 0 | 0 | 0 | 106.6 | C84 I94 W96 F111 | C84-T139 PolarHBondContact N-O 2.99Å; C84-T139 PolarHBondContact O-N 3.5Å; I94-T139 HydrophobicContact CG2-CG2 4.29Å; W96-T139 PolarHBondContact NE1-OG1 3.43Å; F111-T139 HydrophobicContact CE1-CG2 4.38Å; F111-T139 HydrophobicContact CZ-CG2 3.65Å |
| 140 | N | 93.7 | Very high | 92.2 | Very high | 30 Ų | 30 | 54.2 Ų | 54.2 | 16% | 0.16 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 113.6 | -174.5 | -64.1 | -20.6 | 0 | 0 | 0 | 108.9 | T81 L82 R83 I133 | T81-N140 HydrophobicContact CG2-CB 4.13Å; L82-N140 CarbonylContact O-C 3.45Å; L82-N140 VanDerWaalsContact O-CA 3.27Å; L82-N140 WeakPolarHBondContact O-CA 3.22Å; R83-N140 WeakPolarHBondContact CB-OD1 3.47Å; R83-N140 WeakPolarHBondContact CG-OD1 3.44Å; I133-N140 HydrophobicContact CB-CB 4.48Å; I133-N140 PolarHBondContact N-O 3.4Å; I133-N140 PolarHBondContact O-N 3Å |
| 141 | L | 95.9 | Very high | 92 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 115.6 | 170.1 | 179.9 | 65.7 | 0 | 0 | 0 | 108.6 | T81 L82 W96 I108 F130 L132 I143 Y154 | T81-L141 WeakPolarHBondContact CA-O 3.4Å; L82-L141 HydrophobicContact CB-CB 4.41Å; L82-L141 HydrophobicContact CD1-CD2 4.48Å; L82-L141 PolarHBondContact N-O 3.38Å; L82-L141 PolarHBondContact O-N 3.11Å; W96-L141 HydrophobicContact CB-CD2 4.47Å; W96-L141 HydrophobicContact CD2-CB 3.89Å; W96-L141 HydrophobicContact CD2-CD2 3.99Å; W96-L141 HydrophobicContact CE3-CB 4.02Å; W96-L141 HydrophobicContact CE3-CD2 3.67Å; W96-L141 HydrophobicContact CE3-CG 4.49Å; W96-L141 HydrophobicContact CG-CD2 4.36Å; W96-L141 HydrophobicContact CH2-CB 4.03Å; W96-L141 HydrophobicContact CZ2-CB 3.91Å; W96-L141 HydrophobicContact CZ3-CB 4.09Å; W96-L141 HydrophobicContact CZ3-CD2 4.2Å; I108-L141 HydrophobicContact CD1-CD2 3.69Å; I108-L141 HydrophobicContact CG2-CD1 4.48Å; F130-L141 HydrophobicContact CD1-CD1 4.37Å; L132-L141 HydrophobicContact CD1-CB 4.44Å; L141-I143 HydrophobicContact CD2-CD1 4.41Å; L141-I143 HydrophobicContact CG-CG1 4.25Å; L141-Y154 HydrophobicContact CD2-CD1 4.02Å; L141-Y154 HydrophobicContact CD2-CE1 4.45Å |
| 142 | I | 96.4 | Very high | 91.9 | Very high | 27 Ų | 27 | 51.3 Ų | 51.3 | 14% | 0.138 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 130.9 | 175.9 | -54.4 | 178.9 | 0 | 0 | 0 | 108 | E79 V80 T81 F130 T131 I133 | E79-I142 HydrophobicContact CG-CG2 3.71Å; V80-I142 WeakPolarHBondContact O-CA 3.41Å; T81-I142 HydrophobicContact CG2-CG1 4.07Å; F130-I142 WeakPolarHBondContact CA-O 3.48Å; T131-I142 PolarHBondContact N-O 2.68Å; T131-I142 PolarHBondContact O-N 2.92Å; I133-I142 HydrophobicContact CD1-CD1 3.52Å; I133-I142 HydrophobicContact CG1-CD1 4.11Å |
| 143 | I | 97.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 107.3 | 175.7 | -44.7 | 172.9 | 0 | 0 | 0 | 107.3 | E79 V80 R129 F130 L141 L146 Y154 | E79-I143 WeakPolarHBondContact CA-O 3.45Å; V80-I143 HydrophobicContact CG1-CB 3.97Å; V80-I143 HydrophobicContact CG1-CD1 4.2Å; V80-I143 HydrophobicContact CG1-CG1 4.25Å; V80-I143 PolarHBondContact N-O 3.23Å; V80-I143 PolarHBondContact O-N 3.48Å; R129-I143 WeakPolarHBondContact O-CA 3.46Å; F130-I143 HydrophobicContact CD1-CD1 4.22Å; F130-I143 HydrophobicContact CD1-CG1 3.86Å; F130-I143 HydrophobicContact CD1-CG2 4.24Å; F130-I143 HydrophobicContact CE1-CB 4.43Å; F130-I143 HydrophobicContact CE1-CD1 3.67Å; F130-I143 HydrophobicContact CE1-CG1 3.76Å; F130-I143 HydrophobicContact CE1-CG2 3.85Å; F130-I143 HydrophobicContact CE2-CG2 4.2Å; F130-I143 HydrophobicContact CZ-CD1 4.44Å; F130-I143 HydrophobicContact CZ-CG2 3.81Å; L141-I143 HydrophobicContact CD2-CD1 4.41Å; L141-I143 HydrophobicContact CG-CG1 4.25Å; I143-L146 HydrophobicContact CB-CD2 3.95Å; I143-L146 HydrophobicContact CG2-CD2 3.72Å; I143-Y154 HydrophobicContact CD1-CD1 4.17Å; I143-Y154 HydrophobicContact CD1-CE1 3.42Å; I143-Y154 VanDerWaalsContact CD1-CE1 3.42Å; I143-Y154 HydrophobicContact CD1-CE2 4.2Å; I143-Y154 VanDerWaalsContact CD1-CZ 3.43Å; I143-Y154 WeakPolarHBondContact CD1-OH 3.39Å |
| 144 | S | 97.4 | Very high | 91.9 | Very high | 33 Ų | 33 | 48.2 Ų | 48.2 | 23% | 0.231 | 24% | 0.242 | C | C | . | . | trans | -97.4 | 165.7 | 179.5 | 66.3 | 0 | 0 | 0 | 0 | 111.8 | R129 L146 | R129-S144 WeakPolarHBondContact CA-OG 3.34Å; R129-S144 WeakPolarHBondContact CB-O 3.32Å; R129-S144 PolarHBondContact NH1-O 3.07Å; R129-S144 PolarHBondContact O-N 2.03Å; R129-S144 PolarHBondContact O-OG 2.85Å; S144-L146 VanDerWaalsContact C-N 3.33Å; S144-L146 PolarHBondContact O-N 2.83Å | ||
| 145 | N | 96.1 | Very high | 92.1 | Very high | 91 Ų | 91 | 46.7 Ų | 46.7 | 49% | 0.487 | 24% | 0.237 | S | C | . | . | S | Bend | trans | 46.2 | 58.7 | -177.9 | -174.2 | 19.2 | 0 | 0 | 0 | 111.2 | G78 R129 K147 | G78-N145 PolarHBondContact O-N 3.35Å; R129-N145 HydrophobicContact CG-CB 4.4Å; R129-N145 PolarHBondContact NH1-O 2.93Å; N145-K147 PolarHBondContact O-N 3.17Å |
| 146 | L | 95.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | trans | -58.8 | 133.8 | -171.8 | -72.2 | 168.3 | 0 | 0 | 0 | 112 | A74 G77 G78 V80 I143 S144 D150 I174 | A74-L146 HydrophobicContact CB-CD1 3.56Å; G77-L146 PolarHBondContact N-O 3.3Å; G78-L146 VanDerWaalsContact O-CG 3.31Å; G78-L146 WeakPolarHBondContact O-CG 3.43Å; G78-L146 PolarHBondContact O-N 3.01Å; V80-L146 HydrophobicContact CB-CD1 4.27Å; V80-L146 HydrophobicContact CG1-CD1 4.41Å; V80-L146 HydrophobicContact CG1-CD2 4.04Å; I143-L146 HydrophobicContact CB-CD2 3.95Å; I143-L146 HydrophobicContact CG2-CD2 3.72Å; S144-L146 VanDerWaalsContact C-N 3.33Å; S144-L146 PolarHBondContact O-N 2.83Å; L146-D150 HydrophobicContact CD2-CB 4.29Å; L146-I174 HydrophobicContact CB-CD1 4.01Å; L146-I174 HydrophobicContact CB-CG1 4.44Å; L146-I174 HydrophobicContact CB-CG2 4.26Å; L146-I174 HydrophobicContact CD1-CD1 3.79Å; L146-I174 HydrophobicContact CD2-CD1 3.92Å; L146-I174 HydrophobicContact CG-CD1 4.11Å | ||
| 147 | K | 92.6 | Very high | 92.9 | Very high | 104 Ų | 104 | 31.7 Ų | 31.7 | 45% | 0.452 | 16% | 0.164 | S | C | . | . | trans | -110.5 | 156.3 | 176.1 | -60.1 | -176.6 | -179.9 | -175.7 | 0 | 109.9 | N145 S149 D150 I174 | N145-K147 PolarHBondContact O-N 3.17Å; K147-S149 PolarHBondContact O-N 3.38Å; K147-S149 VanDerWaalsContact O-N 3.1Å; K147-D150 PolarHBondContact N-OD2 2.76Å; K147-D150 WeakPolarHBondContact O-CB 3.37Å; K147-D150 PolarHBondContact O-N 3.16Å; K147-I174 WeakPolarHBondContact O-CG1 3.25Å | ||
| 148 | M | 88.1 | Confident | 93.2 | Very high | 39 Ų | 39 | 26.6 Ų | 26.6 | 19% | 0.192 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -49.2 | -40.3 | 173.3 | -78.9 | -62.6 | 110.5 | 0 | 0 | 112.8 | V76 D150 S151 I174 D176 Q277 | V76-M148 HydrophobicContact CG2-CE 3.08Å; M148-D150 PolarHBondContact O-N 3.4Å; M148-D150 VanDerWaalsContact O-N 3.13Å; M148-S151 WeakPolarHBondContact O-CB 3.22Å; M148-S151 PolarHBondContact O-N 2.8Å; M148-S151 VanDerWaalsContact O-N 3.07Å; M148-S151 PolarHBondContact O-OG 3.45Å; M148-I174 HydrophobicContact CE-CB 3.76Å; M148-I174 HydrophobicContact CE-CG2 3.41Å; M148-I174 VanDerWaalsContact CE-CG2 3.41Å; M148-I174 WeakPolarHBondContact CE-O 3.06Å; M148-D176 HydrophobicContact CE-CB 4.09Å; M148-Q277 HydrophobicContact SD-CG 3.9Å |
| 149 | S | 89.9 | Confident | 93.1 | Very high | 75 Ų | 75 | 25.8 Ų | 25.8 | 52% | 0.524 | 14% | 0.14 | S | C | . | . | G | 310 helix | trans | -64.5 | -11.5 | 177.9 | 59.1 | 0 | 0 | 0 | 0 | 114.9 | K98 K147 S151 | K98-S149 WeakPolarHBondContact CE-O 3.26Å; K98-S149 PolarHBondContact NZ-O 2.03Å; K147-S149 PolarHBondContact O-N 3.38Å; K147-S149 VanDerWaalsContact O-N 3.1Å; S149-S151 VanDerWaalsContact C-N 3.29Å |
| 150 | D | 93.3 | Very high | 92.7 | Very high | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.016 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -84.8 | -4.4 | 175 | -58.6 | -40.3 | 0 | 0 | 0 | 112.5 | K98 R129 L146 K147 M148 A152 Y154 I174 | K98-D150 IonicContact NZ-OD1 3.33Å; R129-D150 IonicContact CZ-OD2 3.55Å; R129-D150 IonicContact NH1-OD1 3.59Å; R129-D150 IonicContact NH1-OD2 2.87Å; R129-D150 PolarHBondContact NH1-OD2 2.78Å; R129-D150 IonicContact NH2-OD1 2.78Å; R129-D150 PolarHBondContact NH2-OD1 2.82Å; R129-D150 VanDerWaalsContact NH2-OD1 3.1Å; R129-D150 IonicContact NH2-OD2 4Å; R129-D150 PolarHBondContact NH2-OD2 2.86Å; L146-D150 HydrophobicContact CD2-CB 4.29Å; K147-D150 PolarHBondContact N-OD2 2.76Å; K147-D150 WeakPolarHBondContact O-CB 3.37Å; K147-D150 PolarHBondContact O-N 3.16Å; M148-D150 PolarHBondContact O-N 3.4Å; M148-D150 VanDerWaalsContact O-N 3.13Å; D150-A152 PolarHBondContact O-N 2.98Å; D150-A152 VanDerWaalsContact O-N 3.08Å; D150-Y154 WeakPolarHBondContact O-CE2 3.03Å; D150-Y154 PolarHBondContact O-OH 2.94Å; D150-I174 HydrophobicContact CB-CG1 4.34Å |
| 151 | S | 92.6 | Very high | 92.1 | Very high | 6 Ų | 6 | 31.9 Ų | 31.9 | 4% | 0.042 | 18% | 0.176 | C | C | . | . | trans | -64.4 | 110 | 170.5 | -56.6 | 0 | 0 | 0 | 0 | 110.4 | M148 S149 V172 I174 | M148-S151 WeakPolarHBondContact O-CB 3.22Å; M148-S151 PolarHBondContact O-N 2.8Å; M148-S151 VanDerWaalsContact O-N 3.07Å; M148-S151 PolarHBondContact O-OG 3.45Å; S149-S151 VanDerWaalsContact C-N 3.29Å; S151-V172 CarbonylContact C-O 3.6Å; S151-V172 VanDerWaalsContact CA-O 3.25Å; S151-V172 WeakPolarHBondContact CA-O 2.85Å; S151-I174 PolarHBondContact OG-N 3.3Å | ||
| 152 | A | 93.4 | Very high | 91.2 | Very high | 3 Ų | 3 | 41 Ų | 41 | 3% | 0.025 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.7 | 167.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | K98 Q99 D150 Y154 V172 | K98-A152 HydrophobicContact CD-CB 4.31Å; K98-A152 HydrophobicContact CG-CB 3.64Å; Q99-A152 WeakPolarHBondContact O-CB 3.4Å; D150-A152 PolarHBondContact O-N 2.98Å; D150-A152 VanDerWaalsContact O-N 3.08Å; A152-Y154 HydrophobicContact CB-CD2 4.36Å; A152-Y154 HydrophobicContact CB-CE2 3.8Å; A152-Y154 WeakPolarHBondContact O-CD2 3.43Å; A152-V172 PolarHBondContact N-O 2.96Å; A152-V172 PolarHBondContact O-N 3.27Å |
| 153 | T | 92.8 | Very high | 90.5 | Very high | 28 Ų | 28 | 44.9 Ų | 44.9 | 17% | 0.172 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 126.8 | 164.7 | -50.4 | 0 | 0 | 0 | 0 | 109.5 | Q99 Y155 A170 T171 | Q99-T153 PolarHBondContact N-O 2.78Å; Q99-T153 PolarHBondContact O-N 2.84Å; T153-Y155 HydrophobicContact CG2-CD2 4.38Å; T153-Y155 HydrophobicContact CG2-CE1 3.96Å; T153-Y155 HydrophobicContact CG2-CE2 3.61Å; T153-Y155 WeakPolarHBondContact CG2-OH 3.48Å; T153-A170 WeakPolarHBondContact CA-O 2.99Å; T153-T171 PolarHBondContact OG1-OG1 3.33Å |
| 154 | Y | 95.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 129.8 | -178.7 | -69.6 | -95.7 | 0 | 0 | 0 | 109.6 | L67 L82 Y97 K98 I108 F130 L141 I143 D150 A152 G169 A170 V172 | L67-Y154 WeakPolarHBondContact CD2-O 3.44Å; L82-Y154 HydrophobicContact CD1-CD1 4.03Å; L82-Y154 HydrophobicContact CD1-CD2 3.9Å; L82-Y154 HydrophobicContact CD1-CG 3.49Å; L82-Y154 VanDerWaalsContact CD1-CG 3.49Å; Y97-Y154 CarbonylContact O-C 3.56Å; Y97-Y154 VanDerWaalsContact O-CA 3.29Å; Y97-Y154 WeakPolarHBondContact O-CA 3.48Å; K98-Y154 HydrophobicContact CB-CD1 4.21Å; K98-Y154 HydrophobicContact CB-CE1 3.93Å; K98-Y154 HydrophobicContact CD-CE1 4.1Å; K98-Y154 HydrophobicContact CG-CD1 4.38Å; K98-Y154 HydrophobicContact CG-CE1 3.79Å; I108-Y154 HydrophobicContact CD1-CD1 3.73Å; I108-Y154 HydrophobicContact CD1-CE1 3.82Å; F130-Y154 HydrophobicContact CE1-CE1 4.39Å; L141-Y154 HydrophobicContact CD2-CD1 4.02Å; L141-Y154 HydrophobicContact CD2-CE1 4.45Å; I143-Y154 HydrophobicContact CD1-CD1 4.17Å; I143-Y154 HydrophobicContact CD1-CE1 3.42Å; I143-Y154 VanDerWaalsContact CD1-CE1 3.42Å; I143-Y154 HydrophobicContact CD1-CE2 4.2Å; I143-Y154 VanDerWaalsContact CD1-CZ 3.43Å; I143-Y154 WeakPolarHBondContact CD1-OH 3.39Å; D150-Y154 WeakPolarHBondContact O-CE2 3.03Å; D150-Y154 PolarHBondContact O-OH 2.94Å; A152-Y154 HydrophobicContact CB-CD2 4.36Å; A152-Y154 HydrophobicContact CB-CE2 3.8Å; A152-Y154 WeakPolarHBondContact O-CD2 3.43Å; Y154-G169 CarbonylContact O-C 3.49Å; Y154-G169 WeakPolarHBondContact O-CA 3.24Å; Y154-A170 PolarHBondContact N-O 3.12Å; Y154-A170 PolarHBondContact O-N 2.7Å; Y154-V172 HydrophobicContact CD2-CB 4.17Å; Y154-V172 HydrophobicContact CD2-CG2 3.8Å; Y154-V172 HydrophobicContact CE2-CB 3.98Å; Y154-V172 HydrophobicContact CE2-CG2 4.03Å |
| 155 | Y | 93.8 | Very high | 89.3 | Confident | 47 Ų | 47 | 48.3 Ų | 48.3 | 18% | 0.184 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 135.5 | -179.9 | -58.1 | -88.5 | 0 | 0 | 0 | 110.2 | W96 Y97 Q99 T153 F166 | W96-Y155 CarbonylContact C-O 3.52Å; W96-Y155 WeakPolarHBondContact CA-O 3.25Å; Y97-Y155 PolarHBondContact N-O 2.83Å; Y97-Y155 PolarHBondContact O-N 2.81Å; Q99-Y155 HydrophobicContact CB-CD2 4.33Å; Q99-Y155 HydrophobicContact CB-CE2 3.81Å; Q99-Y155 VanDerWaalsContact OE1-CE2 3.28Å; Q99-Y155 PolarHBondContact OE1-OH 2.96Å; T153-Y155 HydrophobicContact CG2-CD2 4.38Å; T153-Y155 HydrophobicContact CG2-CE1 3.96Å; T153-Y155 HydrophobicContact CG2-CE2 3.61Å; T153-Y155 WeakPolarHBondContact CG2-OH 3.48Å; Y155-F166 HydrophobicContact CG-CD1 4.4Å |
| 156 | C | 92.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 136.2 | 158.4 | -170.9 | 0 | 0 | 0 | 0 | 108 | V65 L67 C84 C95 W96 S167 | V65-C156 HydrophobicContact CG1-CB 4.17Å; L67-C156 HydrophobicContact CB-CB 4.37Å; L67-C156 HydrophobicContact CD2-CB 4.46Å; C84-C156 HydrophobicContact CB-CB 3.49Å; C84-C156 VanDerWaalsContact CB-CB 3.49Å; C84-C156 WeakPolarHBondContact CB-SG 3.25Å; C84-C156 WeakPolarHBondContact SG-CB 3.12Å; C84-C156 CovalentContact SG-SG 2.03Å; C84-C156 PolarHBondContact SG-SG 2.75Å; C95-C156 CarbonylContact O-C 3.6Å; C95-C156 WeakPolarHBondContact O-CA 3.4Å; W96-C156 HydrophobicContact CD2-CB 4.47Å; W96-C156 HydrophobicContact CE3-CB 4.41Å; W96-C156 HydrophobicContact CH2-CB 4.23Å; W96-C156 HydrophobicContact CZ2-CB 4.26Å; W96-C156 HydrophobicContact CZ3-CB 4.29Å; C156-S167 PolarHBondContact N-OG 2.93Å; C156-S167 VanDerWaalsContact O-CB 3.29Å; C156-S167 WeakPolarHBondContact O-CB 3.44Å; C156-S167 PolarHBondContact O-N 2.83Å; C156-S167 PolarHBondContact O-OG 3.23Å |
| 157 | A | 91.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 153.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | I94 C95 Y97 V164 S165 F166 | I94-A157 WeakPolarHBondContact CA-O 3.3Å; C95-A157 PolarHBondContact N-O 3.47Å; C95-A157 PolarHBondContact O-N 3.24Å; Y97-A157 HydrophobicContact CD2-CB 4.21Å; Y97-A157 HydrophobicContact CE2-CB 3.89Å; A157-V164 HydrophobicContact CB-CG1 4.25Å; A157-S165 VanDerWaalsContact CA-O 3.25Å; A157-S165 WeakPolarHBondContact CA-O 3.34Å; A157-S165 WeakPolarHBondContact CB-O 3.3Å; A157-F166 HydrophobicContact CB-CD1 3.77Å; A157-F166 HydrophobicContact CB-CE1 3.94Å; A157-F166 HydrophobicContact CB-CG 4.11Å; A157-F166 HydrophobicContact CB-CZ 4.4Å |
| 158 | F | 88.3 | Confident | 88.2 | Confident | 11 Ų | 11 | 49.1 Ų | 49.1 | 5% | 0.048 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 147.9 | 171.1 | 68.4 | -73.2 | 0 | 0 | 0 | 109.9 | P64 V65 Y86 W93 I94 V164 S165 | P64-F158 HydrophobicContact CB-CZ 4.43Å; P64-F158 HydrophobicContact CG-CD2 4.31Å; P64-F158 HydrophobicContact CG-CE1 3.62Å; P64-F158 HydrophobicContact CG-CE2 3.44Å; P64-F158 VanDerWaalsContact CG-CE2 3.44Å; P64-F158 HydrophobicContact CG-CZ 3.04Å; V65-F158 HydrophobicContact CB-CD1 3.45Å; V65-F158 VanDerWaalsContact CB-CD1 3.45Å; V65-F158 HydrophobicContact CB-CE1 3.81Å; V65-F158 HydrophobicContact CB-CG 4.41Å; V65-F158 HydrophobicContact CG2-CB 3.68Å; V65-F158 HydrophobicContact CG2-CD1 3.04Å; V65-F158 HydrophobicContact CG2-CE1 3.79Å; V65-F158 HydrophobicContact CG2-CG 3.54Å; Y86-F158 HydrophobicContact CE2-CD2 4.11Å; Y86-F158 HydrophobicContact CE2-CG 4.34Å; W93-F158 CarbonylContact O-C 3.53Å; W93-F158 WeakPolarHBondContact O-CA 3.27Å; I94-F158 HydrophobicContact CD1-CB 3.64Å; F158-V164 WeakPolarHBondContact O-CA 2.79Å; F158-S165 WeakPolarHBondContact CD1-O 3.47Å; F158-S165 PolarHBondContact N-O 3.16Å; F158-S165 PolarHBondContact O-N 3.19Å |
| 159 | T | 86.7 | Confident | 88.3 | Confident | 36 Ų | 36 | 47.4 Ų | 47.4 | 22% | 0.221 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 119.5 | -178.9 | -52.3 | 0 | 0 | 0 | 0 | 109.2 | A92 W93 I163 V164 | A92-T159 WeakPolarHBondContact CA-O 3.4Å; W93-T159 PolarHBondContact N-O 2.97Å; W93-T159 PolarHBondContact O-N 3.33Å; T159-I163 VanDerWaalsContact CA-O 3.3Å; T159-I163 WeakPolarHBondContact CA-O 3.46Å; T159-V164 HydrophobicContact CG2-CG2 3.94Å |
| 160 | Y | 83.6 | Confident | 88.4 | Confident | 95 Ų | 95 | 43.8 Ų | 43.8 | 37% | 0.373 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 136.4 | 174.4 | 171.6 | -104 | 0 | 0 | 0 | 109.8 | E90 Q162 I163 | E90-Y160 HydrophobicContact CB-CD2 3.67Å; E90-Y160 HydrophobicContact CB-CE2 3.82Å; E90-Y160 HydrophobicContact CB-CG 4.03Å; E90-Y160 VanDerWaalsContact CD-CD1 3.42Å; E90-Y160 VanDerWaalsContact CD-CE1 3.47Å; E90-Y160 HydrophobicContact CG-CD1 4.44Å; E90-Y160 HydrophobicContact CG-CD2 4.34Å; E90-Y160 HydrophobicContact CG-CE1 4.31Å; E90-Y160 HydrophobicContact CG-CE2 4.23Å; E90-Y160 HydrophobicContact CG-CG 4.42Å; E90-Y160 WeakPolarHBondContact OE1-CE1 3.46Å; E90-Y160 WeakPolarHBondContact OE2-CD1 3.37Å; Y160-Q162 PolarHBondContact O-N 3.4Å; Y160-I163 PolarHBondContact N-O 3.36Å; Y160-I163 WeakPolarHBondContact O-CA 3.45Å; Y160-I163 WeakPolarHBondContact O-CB 3.32Å; Y160-I163 PolarHBondContact O-N 2.76Å |
| 161 | A | 79.9 | Confident | 88.3 | Confident | 70 Ų | 70 | 44.8 Ų | 44.8 | 58% | 0.579 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 45.8 | 41.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | I163 | A161-I163 PolarHBondContact O-N 3.02Š|
| 162 | Q | 76.9 | Confident | 88.3 | Confident | 191 Ų | 191 | 44.6 Ų | 44.6 | 89% | 0.893 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.1 | 3.9 | -176.6 | -51.8 | 175.5 | -15.8 | 0 | 0 | 116 | Y160 | Y160-Q162 PolarHBondContact O-N 3.4Š|
| 163 | I | 82.3 | Confident | 88.2 | Confident | 110 Ų | 110 | 45.5 Ų | 45.5 | 56% | 0.564 | 24% | 0.237 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 124.4 | 171 | -57.7 | 173.1 | 0 | 0 | 0 | 108.1 | T159 Y160 A161 | T159-I163 VanDerWaalsContact CA-O 3.3Å; T159-I163 WeakPolarHBondContact CA-O 3.46Å; Y160-I163 PolarHBondContact N-O 3.36Å; Y160-I163 WeakPolarHBondContact O-CA 3.45Å; Y160-I163 WeakPolarHBondContact O-CB 3.32Å; Y160-I163 PolarHBondContact O-N 2.76Å; A161-I163 PolarHBondContact O-N 3.02Å |
| 164 | V | 84 | Confident | 88.1 | Confident | 68 Ų | 68 | 44.3 Ų | 44.3 | 41% | 0.412 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 128.4 | 171.6 | -173.9 | 0 | 0 | 0 | 0 | 108.2 | A157 F158 T159 F166 | A157-V164 HydrophobicContact CB-CG1 4.25Å; F158-V164 WeakPolarHBondContact O-CA 2.79Å; T159-V164 HydrophobicContact CG2-CG2 3.94Å; V164-F166 HydrophobicContact CG1-CD2 4.18Å; V164-F166 HydrophobicContact CG1-CE2 3.65Å; V164-F166 HydrophobicContact CG1-CZ 4.13Å |
| 165 | S | 86.6 | Confident | 87.8 | Confident | 37 Ų | 37 | 50 Ų | 50 | 26% | 0.259 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 125.9 | 177.7 | -77.1 | 0 | 0 | 0 | 0 | 109.6 | A157 F158 | A157-S165 VanDerWaalsContact CA-O 3.25Å; A157-S165 WeakPolarHBondContact CA-O 3.34Å; A157-S165 WeakPolarHBondContact CB-O 3.3Å; F158-S165 WeakPolarHBondContact CD1-O 3.47Å; F158-S165 PolarHBondContact N-O 3.16Å; F158-S165 PolarHBondContact O-N 3.19Å |
| 166 | F | 86.9 | Confident | 87.3 | Confident | 99 Ų | 99 | 50.6 Ų | 50.6 | 43% | 0.434 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 147.3 | -179.4 | -71.8 | -97.9 | 0 | 0 | 0 | 110.7 | Y97 Y155 A157 V164 | Y97-F166 AromaticContact CD2-CE1 3.8Å; Y97-F166 HydrophobicContact CD2-CE1 3.8Å; Y97-F166 AromaticContact CE2-CE1 3.94Å; Y97-F166 HydrophobicContact CE2-CE1 3.94Å; Y97-F166 HydrophobicContact CE2-CZ 4.3Å; Y97-F166 HydrophobicContact CG-CE1 4.37Å; Y155-F166 HydrophobicContact CG-CD1 4.4Å; A157-F166 HydrophobicContact CB-CD1 3.77Å; A157-F166 HydrophobicContact CB-CE1 3.94Å; A157-F166 HydrophobicContact CB-CG 4.11Å; A157-F166 HydrophobicContact CB-CZ 4.4Å; V164-F166 HydrophobicContact CG1-CD2 4.18Å; V164-F166 HydrophobicContact CG1-CE2 3.65Å; V164-F166 HydrophobicContact CG1-CZ 4.13Å |
| 167 | S | 88.4 | Confident | 86.4 | Confident | 9 Ų | 9 | 54.5 Ų | 54.5 | 6% | 0.063 | 29% | 0.286 | C | S | . | . | trans | -69.4 | 169.5 | 160.4 | 55.7 | 0 | 0 | 0 | 0 | 111.7 | C156 G169 | C156-S167 PolarHBondContact N-OG 2.93Å; C156-S167 VanDerWaalsContact O-CB 3.29Å; C156-S167 WeakPolarHBondContact O-CB 3.44Å; C156-S167 PolarHBondContact O-N 2.83Å; C156-S167 PolarHBondContact O-OG 3.23Å; S167-G169 PolarHBondContact O-N 2.02Å | ||
| 168 | E | 85.6 | Confident | 85.5 | Confident | 105 Ų | 105 | 61.4 Ų | 61.4 | 49% | 0.491 | 32% | 0.323 | S | S | . | . | trans | -59.7 | -25.5 | 174.4 | -61.6 | -178.2 | 161.5 | 0 | 0 | 113.1 | S69 | S69-E168 WeakPolarHBondContact CB-OE2 3.16Å; S69-E168 PolarHBondContact N-OE2 3.06Å | ||
| 169 | G | 89.4 | Confident | 84.7 | Confident | 2 Ų | 2 | 62.1 Ų | 62.1 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | trans | 84.7 | 156.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S69 Y154 S167 | S69-G169 WeakPolarHBondContact CA-O 3.07Å; Y154-G169 CarbonylContact O-C 3.49Å; Y154-G169 WeakPolarHBondContact O-CA 3.24Å; S167-G169 PolarHBondContact O-N 2.02Å | ||
| 170 | A | 91.9 | Very high | 83.5 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 125 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | L67 S70 L82 T153 Y154 | L67-A170 HydrophobicContact CD1-CB 4.31Å; L67-A170 HydrophobicContact CD2-CB 4.08Å; L67-A170 HydrophobicContact CG-CB 4.34Å; S70-A170 WeakPolarHBondContact OG-CB 3.38Å; L82-A170 HydrophobicContact CD2-CB 3.85Å; T153-A170 WeakPolarHBondContact CA-O 2.99Å; Y154-A170 PolarHBondContact N-O 3.12Å; Y154-A170 PolarHBondContact O-N 2.7Å |
| 171 | T | 91.4 | Very high | 82.7 | Confident | 24 Ų | 24 | 66.3 Ų | 66.3 | 15% | 0.147 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 117.7 | 177.1 | -55.9 | 0 | 0 | 0 | 0 | 109.1 | S70 F71 I72 T153 I173 | S70-T171 PolarHBondContact O-N 3.08Å; F71-T171 WeakPolarHBondContact CA-O 3.5Å; F71-T171 HydrophobicContact CD1-CG2 4Å; F71-T171 HydrophobicContact CE1-CG2 3.89Å; I72-T171 PolarHBondContact N-O 3.24Å; T153-T171 PolarHBondContact OG1-OG1 3.33Å; T171-I173 HydrophobicContact CG2-CG1 4.19Å |
| 172 | V | 93.3 | Very high | 82.1 | Confident | 1 Ų | 1 | 72.9 Ų | 72.9 | 1% | 0.006 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 126.4 | 176.4 | -177.6 | 0 | 0 | 0 | 0 | 108.4 | I72 V80 L82 S151 A152 Y154 I174 | I72-V172 HydrophobicContact CB-CG2 4.48Å; I72-V172 CarbonylContact O-C 3.58Å; I72-V172 WeakPolarHBondContact O-CA 3.34Å; V80-V172 HydrophobicContact CG1-CG1 4.33Å; V80-V172 HydrophobicContact CG2-CG2 4.4Å; L82-V172 HydrophobicContact CD1-CG2 4.29Å; L82-V172 HydrophobicContact CD2-CG2 3.93Å; S151-V172 CarbonylContact C-O 3.6Å; S151-V172 VanDerWaalsContact CA-O 3.25Å; S151-V172 WeakPolarHBondContact CA-O 2.85Å; A152-V172 PolarHBondContact N-O 2.96Å; A152-V172 PolarHBondContact O-N 3.27Å; Y154-V172 HydrophobicContact CD2-CB 4.17Å; Y154-V172 HydrophobicContact CD2-CG2 3.8Å; Y154-V172 HydrophobicContact CE2-CB 3.98Å; Y154-V172 HydrophobicContact CE2-CG2 4.03Å; V172-I174 HydrophobicContact CG1-CD1 3.64Å |
| 173 | I | 90.8 | Very high | 82.1 | Confident | 23 Ų | 23 | 64.3 Ų | 64.3 | 12% | 0.118 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 118.3 | 178 | -56.4 | 171.6 | 0 | 0 | 0 | 107.9 | I72 S73 A74 T171 F280 | I72-I173 PolarHBondContact O-N 2.93Å; S73-I173 WeakPolarHBondContact CA-O 3.39Å; A74-I173 PolarHBondContact N-O 3.17Å; T171-I173 HydrophobicContact CG2-CG1 4.19Å; I173-F280 HydrophobicContact CD1-CD2 4.07Å; I173-F280 HydrophobicContact CD1-CE2 3.53Å; I173-F280 HydrophobicContact CD1-CZ 4.5Å |
| 174 | I | 91.3 | Very high | 82.1 | Confident | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 130.4 | 176.9 | -46.3 | -52.6 | 0 | 0 | 0 | 108.4 | A74 V76 L146 K147 M148 D150 S151 V172 | A74-I174 HydrophobicContact CB-CD1 4.16Å; A74-I174 CarbonylContact O-C 3.58Å; A74-I174 VanDerWaalsContact O-CA 3.27Å; A74-I174 WeakPolarHBondContact O-CA 3.48Å; V76-I174 HydrophobicContact CG2-CG2 3.95Å; L146-I174 HydrophobicContact CB-CD1 4.01Å; L146-I174 HydrophobicContact CB-CG1 4.44Å; L146-I174 HydrophobicContact CB-CG2 4.26Å; L146-I174 HydrophobicContact CD1-CD1 3.79Å; L146-I174 HydrophobicContact CD2-CD1 3.92Å; L146-I174 HydrophobicContact CG-CD1 4.11Å; K147-I174 WeakPolarHBondContact O-CG1 3.25Å; M148-I174 HydrophobicContact CE-CB 3.76Å; M148-I174 HydrophobicContact CE-CG2 3.41Å; M148-I174 VanDerWaalsContact CE-CG2 3.41Å; M148-I174 WeakPolarHBondContact CE-O 3.06Å; D150-I174 HydrophobicContact CB-CG1 4.34Å; S151-I174 PolarHBondContact OG-N 3.3Å; V172-I174 HydrophobicContact CG1-CD1 3.64Å |
| 175 | K | 87.7 | Confident | 82.2 | Confident | 119 Ų | 119 | 59.1 Ų | 59.1 | 52% | 0.517 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 141.1 | 176.8 | -65.3 | -174 | -178.3 | 167.7 | 0 | 109.7 | S73 A74 P75 V76 P177 | S73-K175 VanDerWaalsContact OG-CD 3.25Å; S73-K175 WeakPolarHBondContact OG-CD 3.49Å; S73-K175 WeakPolarHBondContact OG-CE 3.12Å; S73-K175 PolarHBondContact OG-NZ 2.85Å; A74-K175 PolarHBondContact O-N 2.88Å; P75-K175 CarbonylContact C-O 3.53Å; P75-K175 VanDerWaalsContact CA-O 3.24Å; P75-K175 WeakPolarHBondContact CA-O 3.39Å; V76-K175 PolarHBondContact N-O 2.79Å; K175-P177 WeakPolarHBondContact O-CD 3.42Å |
| 176 | D | 83.6 | Confident | 82.2 | Confident | 60 Ų | 60 | 62.8 Ų | 62.8 | 32% | 0.321 | 32% | 0.319 | S | S | . | . | trans | -100.8 | 105.2 | 168.4 | -169.7 | -12.3 | 0 | 0 | 0 | 107.9 | V76 M148 D178 S179 | V76-D176 HydrophobicContact CG2-CB 3.99Å; M148-D176 HydrophobicContact CE-CB 4.09Å; D176-D178 PolarHBondContact O-N 2.82Å; D176-D178 PolarHBondContact OD1-N 3.07Å; D176-D178 VanDerWaalsContact OD1-N 3.16Å; D176-S179 PolarHBondContact O-N 3.01Å | ||
| 177 | P | 73.8 | Confident | 82.3 | Confident | 83 Ų | 83 | 58.9 Ų | 58.9 | 54% | 0.539 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -25.9 | -178.7 | 26.3 | -31.3 | 0 | 0 | 0 | 112.7 | K175 S179 | K175-P177 WeakPolarHBondContact O-CD 3.42Å; P177-S179 VanDerWaalsContact C-N 3.33Å |
| 178 | D | 72.3 | Confident | 81.8 | Confident | 145 Ų | 145 | 61 Ų | 61 | 78% | 0.775 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 1 | -177.3 | -60.4 | -35.9 | 0 | 0 | 0 | 112.3 | D176 | D176-D178 PolarHBondContact O-N 2.82Å; D176-D178 PolarHBondContact OD1-N 3.07Å; D176-D178 VanDerWaalsContact OD1-N 3.16Å |
| 179 | S | 71.6 | Confident | 81.3 | Confident | 25 Ų | 25 | 64.7 Ų | 64.7 | 18% | 0.175 | 33% | 0.334 | C | S | . | . | trans | -81.3 | 120.6 | 175.9 | -177.3 | 0 | 0 | 0 | 0 | 111.6 | D176 P177 I181 | D176-S179 PolarHBondContact O-N 3.01Å; P177-S179 VanDerWaalsContact C-N 3.33Å; S179-I181 PolarHBondContact O-N 2.96Å; S179-I181 PolarHBondContact OG-N 2.86Å | ||
| 180 | D | 63 | Low | 80.3 | Confident | 167 Ų | 167 | 66.1 Ų | 66.1 | 89% | 0.893 | 34% | 0.343 | S | S | * | . | trans | -69 | -10.1 | 171.2 | -73.6 | -32.2 | 0 | 0 | 0 | 113.1 | R182 | D180-R182 PolarHBondContact O-N 2.78Š| ||
| 181 | I | 65.6 | Low | 78.9 | Confident | 53 Ų | 53 | 74.4 Ų | 74.4 | 27% | 0.272 | 38% | 0.382 | S | S | . | . | trans | -91.1 | 101.3 | -177.4 | -55.1 | 177.5 | 0 | 0 | 0 | 108.7 | S179 P183 C210 F274 Q277 | S179-I181 PolarHBondContact O-N 2.96Å; S179-I181 PolarHBondContact OG-N 2.86Å; I181-P183 WeakPolarHBondContact O-CD 3.27Å; I181-C210 HydrophobicContact CD1-CB 4.43Å; I181-F274 HydrophobicContact CG2-CD1 4.29Å; I181-F274 HydrophobicContact CG2-CE1 3.81Å; I181-Q277 PolarHBondContact O-OE1 3.47Å | ||
| 182 | R | 68.8 | Low | 77.9 | Confident | 207 Ų | 207 | 76.8 Ų | 76.8 | 78% | 0.781 | 40% | 0.4 | S | S | * | . | trans | -113.1 | 94.8 | 173.3 | -65.5 | -175 | -177.4 | -172.6 | 1.6 | 109.8 | D180 S184 | D180-R182 PolarHBondContact O-N 2.78Å; R182-S184 PolarHBondContact O-N 2.85Å | ||
| 183 | P | 75.2 | Confident | 77.3 | Confident | 11 Ų | 11 | 77.4 Ų | 77.4 | 7% | 0.071 | 40% | 0.403 | C | S | . | . | trans | -65 | 129 | 174.8 | 23.9 | -26.3 | 0 | 0 | 0 | 108.9 | I181 Q206 T207 F274 V279 | I181-P183 WeakPolarHBondContact O-CD 3.27Å; P183-Q206 VanDerWaalsContact CA-O 3.24Å; P183-Q206 WeakPolarHBondContact CA-O 3.33Å; P183-T207 HydrophobicContact CB-CG2 3.95Å; P183-F274 HydrophobicContact CB-CD1 4.43Å; P183-F274 HydrophobicContact CG-CD1 4.39Å; P183-V279 HydrophobicContact CG-CG2 3.75Å | ||
| 184 | S | 82.1 | Confident | 76.9 | Confident | 50 Ų | 50 | 82.9 Ų | 82.9 | 35% | 0.35 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 141.4 | 177.3 | 77.7 | 0 | 0 | 0 | 0 | 109.5 | R182 V205 Q206 | R182-S184 PolarHBondContact O-N 2.85Å; S184-V205 WeakPolarHBondContact O-CA 3.35Å; S184-Q206 PolarHBondContact N-O 3.11Å; S184-Q206 PolarHBondContact O-N 3.24Å; S184-Q206 WeakPolarHBondContact OG-CB 3.38Å; S184-Q206 PolarHBondContact OG-OE1 3.46Å |
| 185 | V | 86.4 | Confident | 76.6 | Confident | 19 Ų | 19 | 85.7 Ų | 85.7 | 12% | 0.115 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 116.3 | 180 | -177.7 | 0 | 0 | 0 | 0 | 108.6 | Q187 C203 V205 C270 V272 V279 | V185-Q187 HydrophobicContact CG1-CG 4.49Å; V185-C203 WeakPolarHBondContact CG1-SG 3.45Å; V185-V205 HydrophobicContact CG2-CG1 4.48Å; V185-C270 HydrophobicContact CG1-CB 4.29Å; V185-V272 HydrophobicContact CG2-CB 4.28Å; V185-V272 HydrophobicContact CG2-CG2 3.67Å; V185-V279 HydrophobicContact CG2-CB 4.32Å; V185-V279 HydrophobicContact CG2-CG1 3.82Å |
| 186 | L | 87.3 | Confident | 76.3 | Confident | 114 Ų | 114 | 82.4 Ų | 82.4 | 60% | 0.597 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110 | 119.3 | 174.5 | 178.9 | 65.5 | 0 | 0 | 0 | 109.2 | S204 | L186-S204 PolarHBondContact N-O 3.08Å; L186-S204 PolarHBondContact O-N 2.75Å |
| 187 | Q | 87.9 | Confident | 76.4 | Confident | 17 Ų | 17 | 82.8 Ų | 82.8 | 8% | 0.079 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 137.3 | 173.3 | -70.6 | -172.3 | -117.2 | 0 | 0 | 110.2 | V185 Y268 C270 G281 T284 | V185-Q187 HydrophobicContact CG1-CG 4.49Å; Q187-Y268 PolarHBondContact NE2-O 3.3Å; Q187-C270 HydrophobicContact CG-CB 3.91Å; Q187-G281 VanDerWaalsContact OE1-C 3.28Å; Q187-G281 VanDerWaalsContact OE1-CA 3.3Å; Q187-T284 WeakPolarHBondContact CB-OG1 3.39Å; Q187-T284 PolarHBondContact NE2-OG1 3.16Å |
| 188 | S | 79.9 | Confident | 77.1 | Confident | 54 Ų | 54 | 82.3 Ų | 82.3 | 38% | 0.378 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 143.4 | 172.4 | -54.3 | 0 | 0 | 0 | 0 | 110.8 | N202 T284 | S188-N202 PolarHBondContact N-O 3.06Å; S188-N202 VanDerWaalsContact N-O 3.13Å; S188-T284 WeakPolarHBondContact O-CG2 3.22Å; S188-T284 PolarHBondContact O-OG1 2.85Å |
| 189 | E | 74.9 | Confident | 78 | Confident | 183 Ų | 183 | 76.6 Ų | 76.6 | 86% | 0.855 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -81.8 | 130.9 | 168.1 | -70.4 | -172.1 | 165 | 0 | 0 | 109.2 | ||
| 190 | P | 67.7 | Low | 78.9 | Confident | 31 Ų | 31 | 79.1 Ų | 79.1 | 20% | 0.201 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -83.1 | 143.8 | 177.2 | 34.6 | -23.7 | 0 | 0 | 0 | 108.9 | V199 L201 T284 R285 L286 | P190-V199 HydrophobicContact CB-CG2 4.44Å; P190-L201 HydrophobicContact CB-CD2 4.12Å; P190-L201 HydrophobicContact CG-CD2 4.45Å; P190-T284 HydrophobicContact CB-CG2 4.31Å; P190-T284 HydrophobicContact CG-CG2 3.48Å; P190-T284 VanDerWaalsContact CG-CG2 3.48Å; P190-R285 WeakPolarHBondContact CG-O 3.42Å; P190-L286 HydrophobicContact CB-CD1 4.42Å; P190-L286 HydrophobicContact CG-CD1 4.37Å |
| 191 | E | 63.2 | Low | 80.2 | Confident | 174 Ų | 174 | 71.3 Ų | 71.3 | 81% | 0.813 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 154.2 | 166.1 | -149.9 | 168.6 | -173.6 | 0 | 0 | 109.4 | V193 | E191-V193 WeakPolarHBondContact O-CG2 3.46Å; E191-V193 PolarHBondContact O-N 2.82Å |
| 192 | S | 69.1 | Low | 81.4 | Confident | 75 Ų | 75 | 71.2 Ų | 71.2 | 52% | 0.524 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 128.4 | 177.4 | 56.7 | 0 | 0 | 0 | 0 | 110.6 | ||
| 193 | V | 81.5 | Confident | 82.4 | Confident | 13 Ų | 13 | 61.4 Ų | 61.4 | 8% | 0.079 | 35% | 0.352 | C | S | . | . | B | Isolated β-bridge | trans | -110.6 | 149.7 | -170 | -170.6 | 0 | 0 | 0 | 0 | 111 | E191 D197 V199 L260 L286 T287 L288 M289 | E191-V193 WeakPolarHBondContact O-CG2 3.46Å; E191-V193 PolarHBondContact O-N 2.82Å; V193-D197 HydrophobicContact CG1-CB 3.36Å; V193-D197 WeakPolarHBondContact CG1-OD2 3.33Å; V193-V199 HydrophobicContact CG2-CB 4.33Å; V193-V199 HydrophobicContact CG2-CG2 4.26Å; V193-L260 HydrophobicContact CB-CD1 4.43Å; V193-L260 HydrophobicContact CG1-CD1 3.78Å; V193-L286 HydrophobicContact CB-CD1 4.31Å; V193-L286 HydrophobicContact CG2-CD1 3.79Å; V193-T287 PolarHBondContact N-O 3.44Å; V193-L288 HydrophobicContact CB-CD2 4.02Å; V193-L288 HydrophobicContact CG1-CD2 4.29Å; V193-L288 WeakPolarHBondContact O-CA 3.36Å; V193-L288 WeakPolarHBondContact O-CD2 3.4Å; V193-M289 PolarHBondContact O-N 3.42Å |
| 194 | R | 82.3 | Confident | 83 | Confident | 139 Ų | 139 | 62.3 Ų | 62.3 | 53% | 0.525 | 36% | 0.358 | S | S | . | . | trans | -88.3 | 152.4 | 173.1 | -63.3 | -172.5 | 175.6 | 95.4 | 0.3 | 111 | G196 D197 E291 | R194-G196 PolarHBondContact O-N 2.73Å; R194-D197 WeakPolarHBondContact CB-OD2 3.43Å; R194-D197 PolarHBondContact N-OD2 2.87Å; R194-D197 WeakPolarHBondContact O-CB 3.33Å; R194-D197 PolarHBondContact O-N 2.79Å; R194-E291 IonicContact NE-OE1 3.1Å | ||
| 195 | P | 83.8 | Confident | 83.3 | Confident | 61 Ų | 61 | 60 Ų | 60 | 40% | 0.396 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 135.7 | 168.2 | -23.6 | 33.8 | 0 | 0 | 0 | 111.3 | L260 M289 | P195-L260 CarbonylContact C-O 3.53Å; P195-L260 VanDerWaalsContact CA-O 3.32Å; P195-L260 WeakPolarHBondContact CA-O 3.48Å; P195-M289 WeakPolarHBondContact CD-O 3.47Å |
| 196 | G | 81.9 | Confident | 83.2 | Confident | 49 Ų | 49 | 63.6 Ų | 63.6 | 51% | 0.505 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.4 | -11.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | R194 L260 | R194-G196 PolarHBondContact O-N 2.73Å; G196-L260 PolarHBondContact N-O 2.89Å |
| 197 | D | 86.6 | Confident | 82.7 | Confident | 68 Ų | 68 | 58.3 Ų | 58.3 | 36% | 0.364 | 33% | 0.33 | S | S | . | . | trans | -74.6 | 166.8 | 176.8 | -67.2 | -18.5 | 0 | 0 | 0 | 111.9 | V193 R194 D259 L260 | V193-D197 HydrophobicContact CG1-CB 3.36Å; V193-D197 WeakPolarHBondContact CG1-OD2 3.33Å; R194-D197 WeakPolarHBondContact CB-OD2 3.43Å; R194-D197 PolarHBondContact N-OD2 2.87Å; R194-D197 WeakPolarHBondContact O-CB 3.33Å; R194-D197 PolarHBondContact O-N 2.79Å; D197-D259 PolarHBondContact O-N 2.9Å; D197-L260 WeakPolarHBondContact O-CG 3.25Å; D197-L260 PolarHBondContact O-N 3.44Å | ||
| 198 | A | 89 | Confident | 82 | Confident | 74 Ų | 74 | 58.3 Ų | 58.3 | 61% | 0.612 | 34% | 0.335 | S | S | * | . | trans | -112.5 | 135.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | L257 K258 | A198-L257 CarbonylContact C-O 3.57Å; A198-L257 VanDerWaalsContact CA-O 3.25Å; A198-L257 WeakPolarHBondContact CA-O 3.42Å; A198-K258 HydrophobicContact CB-CG 4.16Å | ||
| 199 | V | 89.8 | Confident | 81.4 | Confident | 25 Ų | 25 | 59.7 Ų | 59.7 | 15% | 0.152 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 147 | 177.2 | 74.2 | 0 | 0 | 0 | 0 | 109.5 | P190 V193 L201 L257 L260 L286 | P190-V199 HydrophobicContact CB-CG2 4.44Å; V193-V199 HydrophobicContact CG2-CB 4.33Å; V193-V199 HydrophobicContact CG2-CG2 4.26Å; V199-L201 HydrophobicContact CG1-CD2 4.35Å; V199-L201 HydrophobicContact CG2-CD2 4.4Å; V199-L257 HydrophobicContact CG1-CB 4.07Å; V199-L257 HydrophobicContact CG1-CD1 4.06Å; V199-L257 PolarHBondContact N-O 3.31Å; V199-L257 PolarHBondContact O-N 2.87Å; V199-L257 VanDerWaalsContact O-O 3.08Å; V199-L260 HydrophobicContact CB-CD1 4.39Å; V199-L260 HydrophobicContact CG1-CD1 3.84Å; V199-L286 HydrophobicContact CG1-CD1 4.23Å |
| 200 | T | 90.2 | Very high | 81 | Confident | 77 Ų | 77 | 51.5 Ų | 51.5 | 47% | 0.472 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 120.2 | 174.1 | -60.4 | 0 | 0 | 0 | 0 | 109.3 | L255 | T200-L255 WeakPolarHBondContact CA-O 3.38Å |
| 201 | L | 91 | Very high | 80.6 | Confident | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.016 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 129.1 | 175.9 | -53.6 | -174.5 | 0 | 0 | 0 | 109.3 | P190 V199 W218 S254 L255 L257 Y268 T284 | P190-L201 HydrophobicContact CB-CD2 4.12Å; P190-L201 HydrophobicContact CG-CD2 4.45Å; V199-L201 HydrophobicContact CG1-CD2 4.35Å; V199-L201 HydrophobicContact CG2-CD2 4.4Å; L201-W218 HydrophobicContact CB-CH2 3.78Å; L201-W218 HydrophobicContact CB-CZ2 4.46Å; L201-W218 HydrophobicContact CB-CZ3 4.09Å; L201-W218 HydrophobicContact CD1-CZ3 4.26Å; L201-S254 CarbonylContact O-C 3.59Å; L201-S254 VanDerWaalsContact O-CA 3.31Å; L201-S254 WeakPolarHBondContact O-CA 3.31Å; L201-L255 HydrophobicContact CB-CB 4.41Å; L201-L255 PolarHBondContact N-O 2.88Å; L201-L255 PolarHBondContact O-N 2.59Å; L201-L257 HydrophobicContact CD1-CD1 3.98Å; L201-L257 HydrophobicContact CG-CD1 4.19Å; L201-Y268 HydrophobicContact CD1-CD1 3.92Å; L201-Y268 HydrophobicContact CD1-CD2 4.05Å; L201-Y268 HydrophobicContact CD1-CG 3.58Å; L201-T284 HydrophobicContact CD1-CG2 4.01Å; L201-T284 HydrophobicContact CD2-CG2 3.65Å; L201-T284 HydrophobicContact CG-CG2 4.34Å |
| 202 | N | 90.5 | Very high | 80.6 | Confident | 52 Ų | 52 | 47.5 Ų | 47.5 | 28% | 0.278 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 137.1 | 180 | -67.7 | -33 | 0 | 0 | 0 | 111 | S188 V252 S254 | S188-N202 PolarHBondContact N-O 3.06Å; S188-N202 VanDerWaalsContact N-O 3.13Å; N202-V252 HydrophobicContact CB-CG1 4.27Å; N202-S254 WeakPolarHBondContact OD1-CB 3.25Å; N202-S254 PolarHBondContact OD1-OG 3.4Å |
| 203 | C | 89.9 | Confident | 80.6 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 107.5 | 173.8 | 177.4 | 0 | 0 | 0 | 0 | 108.7 | V185 W218 V252 Y253 C270 | V185-C203 WeakPolarHBondContact CG1-SG 3.45Å; C203-W218 HydrophobicContact CB-CH2 3.85Å; C203-W218 HydrophobicContact CB-CZ2 3.46Å; C203-W218 VanDerWaalsContact CB-CZ2 3.46Å; C203-V252 WeakPolarHBondContact O-CA 3.46Å; C203-Y253 PolarHBondContact N-O 2.85Å; C203-Y253 PolarHBondContact O-N 2.77Å; C203-C270 HydrophobicContact CB-CB 3.57Å; C203-C270 WeakPolarHBondContact CB-SG 3.46Å; C203-C270 WeakPolarHBondContact SG-CB 3.45Å; C203-C270 CovalentContact SG-SG 2.03Å; C203-C270 PolarHBondContact SG-SG 3.22Å |
| 204 | S | 88.8 | Confident | 80.5 | Confident | 31 Ų | 31 | 51.2 Ų | 51.2 | 22% | 0.217 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 122.5 | 175.8 | -58 | 0 | 0 | 0 | 0 | 109.1 | L186 C251 | L186-S204 PolarHBondContact N-O 3.08Å; L186-S204 PolarHBondContact O-N 2.75Å; S204-C251 CarbonylContact C-O 3.54Å; S204-C251 WeakPolarHBondContact CA-O 3.48Å |
| 205 | V | 87 | Confident | 80.7 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 120.5 | -176.9 | -171.1 | 0 | 0 | 0 | 0 | 108.3 | S184 V185 T207 T250 C251 Y253 V272 | S184-V205 WeakPolarHBondContact O-CA 3.35Å; V185-V205 HydrophobicContact CG2-CG1 4.48Å; V205-T207 HydrophobicContact CG1-CG2 3.52Å; V205-T250 WeakPolarHBondContact O-CA 3.49Å; V205-C251 PolarHBondContact N-O 2.92Å; V205-C251 PolarHBondContact O-N 3.39Å; V205-Y253 HydrophobicContact CB-CE2 4.42Å; V205-Y253 HydrophobicContact CG2-CD2 3.87Å; V205-Y253 HydrophobicContact CG2-CE2 4.03Å; V205-V272 HydrophobicContact CB-CG2 4.49Å; V205-V272 HydrophobicContact CG1-CB 4.49Å; V205-V272 HydrophobicContact CG1-CG1 3.97Å; V205-V272 HydrophobicContact CG1-CG2 4.03Å; V205-V272 HydrophobicContact CG2-CG2 3.58Å |
| 206 | Q | 84.3 | Confident | 80.9 | Confident | 96 Ų | 96 | 42.8 Ų | 42.8 | 45% | 0.449 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 120.9 | 169.8 | -59.5 | 178.8 | -31.4 | 0 | 0 | 108.8 | P183 S184 H249 T250 | P183-Q206 VanDerWaalsContact CA-O 3.24Å; P183-Q206 WeakPolarHBondContact CA-O 3.33Å; S184-Q206 PolarHBondContact N-O 3.11Å; S184-Q206 PolarHBondContact O-N 3.24Å; S184-Q206 WeakPolarHBondContact OG-CB 3.38Å; S184-Q206 PolarHBondContact OG-OE1 3.46Å; Q206-H249 WeakPolarHBondContact CA-O 3.49Å; Q206-T250 HydrophobicContact CG-CG2 4.14Å |
| 207 | T | 78.1 | Confident | 81.3 | Confident | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.018 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 150.8 | -179.6 | 61.7 | 0 | 0 | 0 | 0 | 110.9 | P183 V205 Q214 T248 H249 F274 | P183-T207 HydrophobicContact CB-CG2 3.95Å; V205-T207 HydrophobicContact CG1-CG2 3.52Å; T207-Q214 PolarHBondContact OG1-OE1 3.2Å; T207-T248 CarbonylContact O-C 3.5Å; T207-T248 VanDerWaalsContact O-CA 3.28Å; T207-T248 WeakPolarHBondContact O-CA 3.27Å; T207-H249 PolarHBondContact N-O 3.08Å; T207-H249 PolarHBondContact O-N 2.77Å; T207-F274 HydrophobicContact CG2-CD1 4.18Å; T207-F274 HydrophobicContact CG2-CD2 4.09Å; T207-F274 HydrophobicContact CG2-CE1 4.39Å; T207-F274 HydrophobicContact CG2-CE2 4.31Å; T207-F274 HydrophobicContact CG2-CG 4.01Å; T207-F274 HydrophobicContact CG2-CZ 4.45Å |
| 208 | G | 73.4 | Confident | 81.5 | Confident | 17 Ų | 17 | 38.6 Ų | 38.6 | 18% | 0.175 | 25% | 0.254 | C | S | . | . | trans | -76.3 | -177.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | C210 F274 | G208-C210 PolarHBondContact O-N 3.06Å; G208-F274 VanDerWaalsContact O-CZ 3.25Å; G208-F274 WeakPolarHBondContact O-CZ 3.5Å | ||
| 209 | S | 67.3 | Low | 81.6 | Confident | 82 Ų | 82 | 36.9 Ų | 36.9 | 57% | 0.573 | 23% | 0.233 | S | C | * | . | trans | -80.4 | 101 | 172.6 | -179 | 0 | 0 | 0 | 0 | 110.5 | P247 | S209-P247 PolarHBondContact N-O 3.1Š| ||
| 210 | C | 66 | Low | 81.6 | Confident | 11 Ų | 11 | 38 Ų | 38 | 7% | 0.074 | 24% | 0.235 | C | C | . | . | trans | -129 | 143.3 | 170.8 | 116 | 0 | 0 | 0 | 0 | 110.3 | I181 G208 G212 R237 F274 C275 | I181-C210 HydrophobicContact CD1-CB 4.43Å; G208-C210 PolarHBondContact O-N 3.06Å; C210-G212 PolarHBondContact O-N 3.48Å; C210-R237 PolarHBondContact O-NH2 2.85Å; C210-F274 HydrophobicContact CB-CE1 3.73Å; C210-F274 HydrophobicContact CB-CE2 4.21Å; C210-F274 HydrophobicContact CB-CZ 3.4Å; C210-F274 VanDerWaalsContact CB-CZ 3.4Å; C210-F274 VanDerWaalsContact SG-CE1 3.56Å; C210-F274 VanDerWaalsContact SG-CE2 3.51Å; C210-F274 WeakPolarHBondContact SG-CZ 3.47Å; C210-C275 HydrophobicContact CB-CB 4.08Å; C210-C275 WeakPolarHBondContact CB-SG 3.39Å; C210-C275 WeakPolarHBondContact SG-CB 3.25Å; C210-C275 CovalentContact SG-SG 2.02Å; C210-C275 PolarHBondContact SG-SG 3.38Å | ||
| 211 | G | 58.4 | Low | 81.5 | Confident | 92 Ų | 92 | 38.6 Ų | 38.6 | 95% | 0.948 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -75.2 | 0.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 212 | G | 63.8 | Low | 81.1 | Confident | 29 Ų | 29 | 40.7 Ų | 40.7 | 30% | 0.299 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -81.1 | 154 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | C210 R237 | C210-G212 PolarHBondContact O-N 3.48Å; G212-R237 PolarHBondContact O-NH2 2.82Å; G212-R237 VanDerWaalsContact O-NH2 3.16Å |
| 213 | E | 68.9 | Low | 80.2 | Confident | 159 Ų | 159 | 46.4 Ų | 46.4 | 74% | 0.743 | 27% | 0.271 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 130.8 | 168 | -72.2 | -174.4 | 171.5 | 0 | 0 | 110.1 | ||
| 214 | Q | 79.2 | Confident | 79 | Confident | 7 Ų | 7 | 55.9 Ų | 55.9 | 3% | 0.033 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -91.8 | 126.5 | 175.5 | -178 | 174.2 | -40.1 | 0 | 0 | 108.8 | T207 Y253 V272 F274 | T207-Q214 PolarHBondContact OG1-OE1 3.2Å; Q214-Y253 VanDerWaalsContact NE2-CE2 3.31Å; Q214-Y253 PolarHBondContact NE2-OH 2.9Å; Q214-V272 HydrophobicContact CG-CG1 4.22Å; Q214-F274 HydrophobicContact CB-CD2 4Å; Q214-F274 HydrophobicContact CG-CD2 4.15Å |
| 215 | S | 85.9 | Confident | 77.8 | Confident | 24 Ų | 24 | 57 Ų | 57 | 17% | 0.168 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 137.5 | 178.5 | -66.8 | 0 | 0 | 0 | 0 | 110.4 | S273 | S215-S273 PolarHBondContact N-O 2.68Å; S215-S273 VanDerWaalsContact N-O 3.12Å; S215-S273 PolarHBondContact O-N 2.97Å |
| 216 | V | 88.4 | Confident | 76.8 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 135.1 | -179 | -178.2 | 0 | 0 | 0 | 0 | 110.2 | H233 Y253 C270 V271 V272 | V216-H233 HydrophobicContact CB-CB 4.28Å; V216-H233 PolarHBondContact N-O 3.33Å; V216-H233 VanDerWaalsContact N-O 3.08Å; V216-H233 PolarHBondContact O-N 2.85Å; V216-Y253 HydrophobicContact CB-CD1 4.19Å; V216-Y253 HydrophobicContact CB-CD2 4.32Å; V216-Y253 HydrophobicContact CB-CE1 4.45Å; V216-Y253 HydrophobicContact CB-CG 4.1Å; V216-Y253 HydrophobicContact CG1-CD2 4.44Å; V216-Y253 HydrophobicContact CG1-CG 4.21Å; V216-Y253 HydrophobicContact CG2-CD1 3.99Å; V216-Y253 HydrophobicContact CG2-CD2 3.54Å; V216-Y253 HydrophobicContact CG2-CE1 3.91Å; V216-Y253 HydrophobicContact CG2-CE2 3.45Å; V216-Y253 VanDerWaalsContact CG2-CE2 3.45Å; V216-Y253 HydrophobicContact CG2-CG 3.79Å; V216-C270 WeakPolarHBondContact CG1-SG 3.12Å; V216-V271 WeakPolarHBondContact CA-O 3.41Å; V216-V272 HydrophobicContact CG1-CG2 4.46Å; V216-V272 HydrophobicContact CG2-CG1 4.36Å; V216-V272 HydrophobicContact CG2-CG2 4.09Å |
| 217 | Y | 90.6 | Very high | 76.5 | Confident | 28 Ų | 28 | 59.5 Ų | 59.5 | 11% | 0.11 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 132.6 | -175.1 | -55.4 | -93.4 | 0 | 0 | 0 | 108.6 | L101 L229 T232 V271 | L101-Y217 HydrophobicContact CD1-CG 4.42Å; L101-Y217 HydrophobicContact CD2-CD2 3.42Å; L101-Y217 VanDerWaalsContact CD2-CD2 3.42Å; L101-Y217 HydrophobicContact CD2-CE2 3.59Å; L101-Y217 HydrophobicContact CD2-CG 4.05Å; L101-Y217 HydrophobicContact CG-CD1 4.24Å; L101-Y217 HydrophobicContact CG-CD2 3.79Å; L101-Y217 HydrophobicContact CG-CE1 4.29Å; L101-Y217 HydrophobicContact CG-CE2 3.81Å; L101-Y217 HydrophobicContact CG-CG 4.02Å; L101-Y217 PolarHBondContact O-OH 3.1Å; Y217-L229 HydrophobicContact CD1-CD1 3.99Å; Y217-L229 HydrophobicContact CG-CD1 4.39Å; Y217-T232 HydrophobicContact CD1-CG2 3.65Å; Y217-T232 HydrophobicContact CE1-CG2 4Å; Y217-V271 WeakPolarHBondContact CD2-O 3.49Å; Y217-V271 PolarHBondContact N-O 2.84Å; Y217-V271 PolarHBondContact O-N 2.86Å |
| 218 | W | 91.6 | Very high | 76.7 | Confident | 1 Ų | 1 | 61 Ų | 61 | 0% | 0.004 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 124 | 172.5 | -75.9 | 90.8 | 0 | 0 | 0 | 109.6 | L201 C203 I230 Y231 L255 Y269 C270 | L201-W218 HydrophobicContact CB-CH2 3.78Å; L201-W218 HydrophobicContact CB-CZ2 4.46Å; L201-W218 HydrophobicContact CB-CZ3 4.09Å; L201-W218 HydrophobicContact CD1-CZ3 4.26Å; C203-W218 HydrophobicContact CB-CH2 3.85Å; C203-W218 HydrophobicContact CB-CZ2 3.46Å; C203-W218 VanDerWaalsContact CB-CZ2 3.46Å; W218-I230 HydrophobicContact CB-CD1 4.16Å; W218-I230 HydrophobicContact CB-CG1 3.83Å; W218-I230 WeakPolarHBondContact O-CG1 3.47Å; W218-I230 PolarHBondContact O-N 3.07Å; W218-Y231 PolarHBondContact N-O 2.88Å; W218-Y231 PolarHBondContact O-N 3.13Å; W218-L255 HydrophobicContact CB-CD2 3.97Å; W218-L255 HydrophobicContact CD2-CB 3.97Å; W218-L255 HydrophobicContact CD2-CD2 3.79Å; W218-L255 HydrophobicContact CD2-CG 4.47Å; W218-L255 HydrophobicContact CE3-CD2 3.96Å; W218-L255 HydrophobicContact CG-CB 4.2Å; W218-L255 HydrophobicContact CG-CD2 3.82Å; W218-L255 HydrophobicContact CG-CG 4.43Å; W218-L255 HydrophobicContact CZ2-CB 4.08Å; W218-Y269 WeakPolarHBondContact CA-O 3.34Å; W218-C270 HydrophobicContact CD2-CB 4.4Å; W218-C270 HydrophobicContact CE3-CB 4.25Å; W218-C270 HydrophobicContact CH2-CB 4.02Å; W218-C270 HydrophobicContact CZ2-CB 4.16Å; W218-C270 HydrophobicContact CZ3-CB 4.05Å |
| 219 | F | 90.3 | Very high | 77.2 | Confident | 37 Ų | 37 | 64 Ų | 64 | 16% | 0.162 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 145 | 174.2 | -74 | -97.8 | 0 | 0 | 0 | 110.2 | L101 P227 G228 L229 Y268 Y269 V271 | L101-F219 HydrophobicContact CD1-CE2 3.76Å; L101-F219 HydrophobicContact CD1-CZ 3.57Å; F219-P227 HydrophobicContact CB-CB 4.18Å; F219-P227 HydrophobicContact CD1-CB 4.25Å; F219-G228 CarbonylContact C-O 3.49Å; F219-G228 WeakPolarHBondContact CA-O 3.37Å; F219-L229 HydrophobicContact CD1-CB 4.25Å; F219-L229 HydrophobicContact CD2-CD1 4.28Å; F219-L229 HydrophobicContact CE1-CB 3.82Å; F219-L229 HydrophobicContact CE1-CD1 4.34Å; F219-L229 HydrophobicContact CE2-CD1 3.84Å; F219-L229 HydrophobicContact CZ-CB 4.12Å; F219-L229 HydrophobicContact CZ-CD1 3.87Å; F219-Y268 CarbonylContact O-C 3.53Å; F219-Y268 VanDerWaalsContact O-CA 3.3Å; F219-Y268 WeakPolarHBondContact O-CA 3.05Å; F219-Y269 PolarHBondContact N-O 2.63Å; F219-Y269 PolarHBondContact O-N 2.94Å; F219-V271 HydrophobicContact CD2-CB 4.14Å; F219-V271 HydrophobicContact CD2-CG2 3.57Å; F219-V271 HydrophobicContact CE2-CB 4.16Å; F219-V271 HydrophobicContact CE2-CG2 3.99Å |
| 220 | R | 90.3 | Very high | 78.3 | Confident | 49 Ų | 49 | 63.7 Ų | 63.7 | 19% | 0.185 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 123.4 | 173.1 | -176.1 | -178.3 | 172.1 | -143.7 | -23.3 | 109.9 | P227 G228 I230 S263 D264 A265 Y268 | R220-P227 CarbonylContact O-C 3.57Å; R220-P227 WeakPolarHBondContact O-CA 3.49Å; R220-G228 PolarHBondContact N-O 3.01Å; R220-G228 PolarHBondContact O-N 3.2Å; R220-I230 HydrophobicContact CB-CD1 4.2Å; R220-I230 HydrophobicContact CB-CG1 4.46Å; R220-I230 HydrophobicContact CB-CG2 3.71Å; R220-S263 PolarHBondContact NH1-O 3.34Å; R220-S263 PolarHBondContact NH2-O 3.03Å; R220-D264 VanDerWaalsContact CZ-CA 3.46Å; R220-D264 PolarHBondContact NE-O 2.85Å; R220-D264 IonicContact NH1-OD1 3.91Å; R220-D264 VanDerWaalsContact NH2-C 3.26Å; R220-D264 PolarHBondContact NH2-O 2.92Å; R220-A265 PolarHBondContact NH2-O 3.16Å; R220-Y268 HydrophobicContact CB-CD1 4.28Å; R220-Y268 HydrophobicContact CB-CE1 4.19Å; R220-Y268 WeakPolarHBondContact CD-OH 2.94Å; R220-Y268 HydrophobicContact CG-CD1 4.3Å; R220-Y268 HydrophobicContact CG-CE1 3.94Å; R220-Y268 HydrophobicContact CG-CE2 4.32Å; R220-Y268 PolarHBondContact NE-OH 2.94Å |
| 221 | K | 87 | Confident | 79.2 | Confident | 90 Ų | 90 | 68 Ų | 68 | 39% | 0.391 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 115.1 | 171.8 | -171.6 | -179.4 | 178.5 | -179.1 | 0 | 109.5 | P227 G266 T267 Y269 | K221-P227 HydrophobicContact CB-CB 4.28Å; K221-P227 HydrophobicContact CB-CG 4.11Å; K221-P227 HydrophobicContact CD-CG 4.22Å; K221-P227 HydrophobicContact CG-CG 4.12Å; K221-G266 WeakPolarHBondContact O-CA 3.5Å; K221-T267 PolarHBondContact N-O 3.45Å; K221-T267 PolarHBondContact O-N 2.89Å; K221-Y269 HydrophobicContact CB-CD2 4.38Å; K221-Y269 HydrophobicContact CB-CE2 3.77Å; K221-Y269 HydrophobicContact CD-CE2 4.32Å |
| 222 | S | 83.3 | Confident | 80.6 | Confident | 47 Ų | 47 | 67.2 Ų | 67.2 | 33% | 0.329 | 35% | 0.349 | S | S | . | . | trans | -80.8 | 163.7 | 164.1 | -165.2 | 0 | 0 | 0 | 0 | 109.8 | E224 S225 | S222-E224 PolarHBondContact O-N 3.03Å; S222-S225 VanDerWaalsContact CB-OG 3.25Å; S222-S225 WeakPolarHBondContact CB-OG 3.27Å; S222-S225 PolarHBondContact N-OG 3.34Å; S222-S225 PolarHBondContact O-N 2.95Å | ||
| 223 | E | 72 | Confident | 81.4 | Confident | 172 Ų | 172 | 68 Ų | 68 | 80% | 0.804 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -35 | -176.8 | -67.2 | -158.8 | 149.1 | 0 | 0 | 113 | ||
| 224 | E | 63.7 | Low | 81.3 | Confident | 198 Ų | 198 | 63 Ų | 63 | 93% | 0.925 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.5 | 0.6 | -176.2 | -63.3 | -178.3 | 169.2 | 0 | 0 | 113.9 | S222 | S222-E224 PolarHBondContact O-N 3.03Š|
| 225 | S | 63.8 | Low | 80.4 | Confident | 56 Ų | 56 | 64.6 Ų | 64.6 | 39% | 0.392 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -113.3 | 151 | -174.8 | 83.6 | 0 | 0 | 0 | 0 | 112.8 | S222 | S222-S225 VanDerWaalsContact CB-OG 3.25Å; S222-S225 WeakPolarHBondContact CB-OG 3.27Å; S222-S225 PolarHBondContact N-OG 3.34Å; S222-S225 PolarHBondContact O-N 2.95Å |
| 226 | H | 66.9 | Low | 79 | Confident | 97 Ų | 97 | 70.4 Ų | 70.4 | 45% | 0.449 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 149.2 | 162.3 | -69.8 | 86.8 | 0 | 0 | 0 | 109.9 | G228 | H226-G228 PolarHBondContact O-N 3.08Š|
| 227 | P | 77.4 | Confident | 77.8 | Confident | 51 Ų | 51 | 74.6 Ų | 74.6 | 33% | 0.331 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 120.1 | 175 | -20.2 | 31.1 | 0 | 0 | 0 | 110.7 | F219 R220 K221 | F219-P227 HydrophobicContact CB-CB 4.18Å; F219-P227 HydrophobicContact CD1-CB 4.25Å; R220-P227 CarbonylContact O-C 3.57Å; R220-P227 WeakPolarHBondContact O-CA 3.49Å; K221-P227 HydrophobicContact CB-CB 4.28Å; K221-P227 HydrophobicContact CB-CG 4.11Å; K221-P227 HydrophobicContact CD-CG 4.22Å; K221-P227 HydrophobicContact CG-CG 4.12Å |
| 228 | G | 82.5 | Confident | 76.1 | Confident | 34 Ų | 34 | 79.4 Ų | 79.4 | 35% | 0.351 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 140.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | F219 R220 H226 I230 | F219-G228 CarbonylContact C-O 3.49Å; F219-G228 WeakPolarHBondContact CA-O 3.37Å; R220-G228 PolarHBondContact N-O 3.01Å; R220-G228 PolarHBondContact O-N 3.2Å; H226-G228 PolarHBondContact O-N 3.08Å; G228-I230 PolarHBondContact O-N 2.91Å |
| 229 | L | 84.7 | Confident | 74.8 | Confident | 81 Ų | 81 | 88 Ų | 88 | 42% | 0.424 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 123.9 | 172.4 | 179.7 | 67.8 | 0 | 0 | 0 | 109.4 | Y217 F219 T232 | Y217-L229 HydrophobicContact CD1-CD1 3.99Å; Y217-L229 HydrophobicContact CG-CD1 4.39Å; F219-L229 HydrophobicContact CD1-CB 4.25Å; F219-L229 HydrophobicContact CD2-CD1 4.28Å; F219-L229 HydrophobicContact CE1-CB 3.82Å; F219-L229 HydrophobicContact CE1-CD1 4.34Å; F219-L229 HydrophobicContact CE2-CD1 3.84Å; F219-L229 HydrophobicContact CZ-CB 4.12Å; F219-L229 HydrophobicContact CZ-CD1 3.87Å; L229-T232 HydrophobicContact CD1-CG2 3.98Å; L229-T232 HydrophobicContact CD2-CG2 3.8Å; L229-T232 HydrophobicContact CG-CG2 4.21Å |
| 230 | I | 89.4 | Confident | 74.2 | Confident | 74 Ų | 74 | 87.6 Ų | 87.6 | 38% | 0.379 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | -26.5 | -178 | 56.7 | 161.5 | 0 | 0 | 0 | 113.3 | W218 R220 G228 L255 Y268 | W218-I230 HydrophobicContact CB-CD1 4.16Å; W218-I230 HydrophobicContact CB-CG1 3.83Å; W218-I230 WeakPolarHBondContact O-CG1 3.47Å; W218-I230 PolarHBondContact O-N 3.07Å; R220-I230 HydrophobicContact CB-CD1 4.2Å; R220-I230 HydrophobicContact CB-CG1 4.46Å; R220-I230 HydrophobicContact CB-CG2 3.71Å; G228-I230 PolarHBondContact O-N 2.91Å; I230-L255 HydrophobicContact CD1-CD2 3.57Å; I230-Y268 HydrophobicContact CD1-CD1 3.62Å; I230-Y268 HydrophobicContact CD1-CE1 3.61Å |
| 231 | Y | 85.9 | Confident | 73.7 | Confident | 103 Ų | 103 | 92.7 Ų | 92.7 | 40% | 0.404 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 147.5 | -177.5 | -172.5 | -107 | 0 | 0 | 0 | 111.5 | W218 H233 L255 | W218-Y231 PolarHBondContact N-O 2.88Å; W218-Y231 PolarHBondContact O-N 3.13Å; Y231-H233 HydrophobicContact CE1-CB 4.22Å; Y231-L255 HydrophobicContact CD1-CD1 3.99Å; Y231-L255 HydrophobicContact CG-CD1 3.86Å |
| 232 | T | 86.3 | Confident | 73.3 | Confident | 74 Ų | 74 | 96.1 Ų | 96.1 | 45% | 0.454 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 133.6 | 177.2 | 60.6 | 0 | 0 | 0 | 0 | 109.9 | Y217 L229 | Y217-T232 HydrophobicContact CD1-CG2 3.65Å; Y217-T232 HydrophobicContact CE1-CG2 4Å; L229-T232 HydrophobicContact CD1-CG2 3.98Å; L229-T232 HydrophobicContact CD2-CG2 3.8Å; L229-T232 HydrophobicContact CG-CG2 4.21Å |
| 233 | H | 80.8 | Confident | 72.7 | Confident | 45 Ų | 45 | 96.3 Ų | 96.3 | 21% | 0.208 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 107.5 | 176.4 | -156.4 | -55.7 | 0 | 0 | 0 | 108.3 | V216 Y231 Y253 | V216-H233 HydrophobicContact CB-CB 4.28Å; V216-H233 PolarHBondContact N-O 3.33Å; V216-H233 VanDerWaalsContact N-O 3.08Å; V216-H233 PolarHBondContact O-N 2.85Å; Y231-H233 HydrophobicContact CE1-CB 4.22Å; H233-Y253 HydrophobicContact CB-CD1 3.99Å; H233-Y253 HydrophobicContact CB-CE1 4.42Å; H233-Y253 AromaticContact CD2-CD1 3.75Å; H233-Y253 AromaticContact CG-CD1 3.55Å; H233-Y253 AromaticContact CG-CE1 3.98Å; H233-Y253 AromaticContact ND1-CD1 3.74Å; H233-Y253 AromaticContact ND1-CE1 3.72Å |
| 234 | G | 66.6 | Low | 72.6 | Confident | 55 Ų | 55 | 93.9 Ų | 93.9 | 57% | 0.567 | 49% | 0.487 | S | S | * | . | trans | -95.7 | 141.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114 | K236 | G234-K236 PolarHBondContact O-N 3.03Š| ||
| 235 | G | 61.3 | Low | 72.9 | Confident | 41 Ų | 41 | 91.3 Ų | 91.3 | 42% | 0.423 | 48% | 0.48 | S | S | . | . | S | Bend | trans | 77.4 | -6 | 130.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||
| 236 | K | 56.9 | Low | 73.2 | Confident | 145 Ų | 145 | 91.5 Ų | 91.5 | 63% | 0.63 | 48% | 0.479 | S | S | * | . | trans | -132.5 | 125.1 | 177.3 | -82.6 | -177.5 | 172.4 | -169 | 0 | 113.3 | G234 D238 | G234-K236 PolarHBondContact O-N 3.03Å; K236-D238 WeakPolarHBondContact CD-OD2 3.34Å; K236-D238 PolarHBondContact O-N 3.18Å | ||
| 237 | R | 62.7 | Low | 73.4 | Confident | 88 Ų | 88 | 91.4 Ų | 91.4 | 33% | 0.332 | 49% | 0.487 | S | S | . | . | trans | -82.1 | 14.1 | 176.9 | -68.6 | -172.4 | -166.7 | 171.5 | 6.4 | 112.8 | C210 G212 R239 C240 | C210-R237 PolarHBondContact O-NH2 2.85Å; G212-R237 PolarHBondContact O-NH2 2.82Å; G212-R237 VanDerWaalsContact O-NH2 3.16Å; R237-R239 PolarHBondContact O-N 2.92Å; R237-C240 HydrophobicContact CB-CB 4.12Å; R237-C240 VanDerWaalsContact O-CB 3.26Å; R237-C240 WeakPolarHBondContact O-CB 3.44Å; R237-C240 PolarHBondContact O-N 2.82Å | ||
| 238 | D | 54.9 | Low | 73.3 | Confident | 129 Ų | 129 | 90.9 Ų | 90.9 | 69% | 0.69 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -16.5 | -171.5 | -53.7 | 0 | 0 | 0 | 0 | 113.5 | K236 | K236-D238 WeakPolarHBondContact CD-OD2 3.34Å; K236-D238 PolarHBondContact O-N 3.18Å |
| 239 | R | 64.1 | Low | 73.2 | Confident | 183 Ų | 183 | 90.4 Ų | 90.4 | 69% | 0.691 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.6 | 18.3 | 175.5 | -64.1 | -175.7 | 178.9 | -178.3 | -0 | 114 | R237 | R237-R239 PolarHBondContact O-N 2.92Š|
| 240 | C | 78.3 | Confident | 73.2 | Confident | 28 Ų | 28 | 88.5 Ų | 88.5 | 19% | 0.189 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 121.2 | 179.6 | -60.8 | 0 | 0 | 0 | 0 | 110.5 | R237 T250 C251 | R237-C240 HydrophobicContact CB-CB 4.12Å; R237-C240 VanDerWaalsContact O-CB 3.26Å; R237-C240 WeakPolarHBondContact O-CB 3.44Å; R237-C240 PolarHBondContact O-N 2.82Å; C240-T250 CarbonylContact C-O 3.54Å; C240-T250 WeakPolarHBondContact CA-O 3.4Å; C240-C251 HydrophobicContact CB-CB 4.1Å; C240-C251 WeakPolarHBondContact CB-SG 3.35Å; C240-C251 WeakPolarHBondContact SG-CB 3.47Å; C240-C251 CovalentContact SG-SG 2.03Å; C240-C251 PolarHBondContact SG-SG 3.14Å |
| 241 | E | 80.3 | Confident | 73 | Confident | 155 Ų | 155 | 85 Ų | 85 | 72% | 0.724 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 132.1 | 174 | -164.7 | 166.7 | -164.4 | 0 | 0 | 109.4 | H249 T250 | E241-H249 WeakPolarHBondContact O-CA 3.29Å; E241-T250 PolarHBondContact N-O 3.38Å; E241-T250 PolarHBondContact O-N 2.93Å |
| 242 | R | 76.8 | Confident | 73.1 | Confident | 163 Ų | 163 | 82.8 Ų | 82.8 | 62% | 0.615 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 127.7 | 175.1 | -170.6 | 175.5 | -147.4 | 168 | 4.4 | 108.6 | P244 | R242-P244 WeakPolarHBondContact O-CD 3.29Å |
| 243 | N | 72.6 | Confident | 73.2 | Confident | 51 Ų | 51 | 79.8 Ų | 79.8 | 27% | 0.273 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -67 | 125.7 | 172 | -171.3 | -29 | 0 | 0 | 0 | 108.9 | N245 T246 T248 | N243-N245 VanDerWaalsContact C-N 3.25Å; N243-N245 PolarHBondContact O-N 2.94Å; N243-N245 PolarHBondContact OD1-N 3.44Å; N243-T246 VanDerWaalsContact CG-OG1 3.3Å; N243-T246 PolarHBondContact ND2-OG1 3.48Å; N243-T246 VanDerWaalsContact ND2-OG1 3.11Å; N243-T248 WeakPolarHBondContact CB-O 3.2Å; N243-T248 WeakPolarHBondContact CB-OG1 3.02Å; N243-T248 PolarHBondContact N-O 3.38Å |
| 244 | P | 68.6 | Low | 73.5 | Confident | 120 Ų | 120 | 79.3 Ų | 79.3 | 78% | 0.779 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -68.4 | -24.4 | 179.3 | 24.4 | -32.1 | 0 | 0 | 0 | 113.2 | R242 | R242-P244 WeakPolarHBondContact O-CD 3.29Š|
| 245 | N | 70.6 | Confident | 74.6 | Confident | 144 Ų | 144 | 77.2 Ų | 77.2 | 77% | 0.77 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -98.5 | -14.2 | -172 | -62.2 | -33 | 0 | 0 | 0 | 114 | N243 | N243-N245 VanDerWaalsContact C-N 3.25Å; N243-N245 PolarHBondContact O-N 2.94Å; N243-N245 PolarHBondContact OD1-N 3.44Å |
| 246 | T | 69.3 | Low | 76 | Confident | 61 Ų | 61 | 79 Ų | 79 | 37% | 0.374 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -141.9 | 155.7 | -179 | 59.5 | 0 | 0 | 0 | 0 | 110 | N243 T248 | N243-T246 VanDerWaalsContact CG-OG1 3.3Å; N243-T246 PolarHBondContact ND2-OG1 3.48Å; N243-T246 VanDerWaalsContact ND2-OG1 3.11Å; T246-T248 PolarHBondContact O-N 3.29Å; T246-T248 PolarHBondContact OG1-OG1 3.31Å |
| 247 | P | 71.8 | Confident | 77.5 | Confident | 95 Ų | 95 | 73.3 Ų | 73.3 | 62% | 0.617 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -75 | 37.9 | 177 | 33.9 | -37 | 0 | 0 | 0 | 112.4 | S209 | S209-P247 PolarHBondContact N-O 3.1Š|
| 248 | T | 75.2 | Confident | 78.8 | Confident | 39 Ų | 39 | 76.4 Ų | 76.4 | 24% | 0.239 | 40% | 0.396 | C | S | . | . | trans | -108.3 | 148.5 | -179.1 | 64.2 | 0 | 0 | 0 | 0 | 111.3 | T207 N243 T246 | T207-T248 CarbonylContact O-C 3.5Å; T207-T248 VanDerWaalsContact O-CA 3.28Å; T207-T248 WeakPolarHBondContact O-CA 3.27Å; N243-T248 WeakPolarHBondContact CB-O 3.2Å; N243-T248 WeakPolarHBondContact CB-OG1 3.02Å; N243-T248 PolarHBondContact N-O 3.38Å; T246-T248 PolarHBondContact O-N 3.29Å; T246-T248 PolarHBondContact OG1-OG1 3.31Å | ||
| 249 | H | 79.8 | Confident | 80.4 | Confident | 25 Ų | 25 | 76.2 Ų | 76.2 | 12% | 0.116 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 135.6 | 172.6 | -66.8 | -81.7 | 0 | 0 | 0 | 108.8 | Q206 T207 E241 | Q206-H249 WeakPolarHBondContact CA-O 3.49Å; T207-H249 PolarHBondContact N-O 3.08Å; T207-H249 PolarHBondContact O-N 2.77Å; E241-H249 WeakPolarHBondContact O-CA 3.29Å |
| 250 | T | 85.3 | Confident | 81.6 | Confident | 40 Ų | 40 | 67.7 Ų | 67.7 | 25% | 0.245 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 120.5 | 172.5 | -55.4 | 0 | 0 | 0 | 0 | 108.6 | V205 Q206 C240 E241 | V205-T250 WeakPolarHBondContact O-CA 3.49Å; Q206-T250 HydrophobicContact CG-CG2 4.14Å; C240-T250 CarbonylContact C-O 3.54Å; C240-T250 WeakPolarHBondContact CA-O 3.4Å; E241-T250 PolarHBondContact N-O 3.38Å; E241-T250 PolarHBondContact O-N 2.93Å |
| 251 | C | 85 | Confident | 82 | Confident | 1 Ų | 1 | 69.2 Ų | 69.2 | 1% | 0.007 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 133.2 | -179.4 | -52.9 | 0 | 0 | 0 | 0 | 109.4 | S204 V205 C240 Y253 | S204-C251 CarbonylContact C-O 3.54Å; S204-C251 WeakPolarHBondContact CA-O 3.48Å; V205-C251 PolarHBondContact N-O 2.92Å; V205-C251 PolarHBondContact O-N 3.39Å; C240-C251 HydrophobicContact CB-CB 4.1Å; C240-C251 WeakPolarHBondContact CB-SG 3.35Å; C240-C251 WeakPolarHBondContact SG-CB 3.47Å; C240-C251 CovalentContact SG-SG 2.03Å; C240-C251 PolarHBondContact SG-SG 3.14Å; C251-Y253 HydrophobicContact CB-CD2 4.28Å; C251-Y253 HydrophobicContact CB-CE2 3.48Å; C251-Y253 VanDerWaalsContact CB-CE2 3.48Å |
| 252 | V | 87.8 | Confident | 82.2 | Confident | 57 Ų | 57 | 66.3 Ų | 66.3 | 35% | 0.345 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 119.6 | 175.4 | -175.6 | 0 | 0 | 0 | 0 | 110 | N202 C203 | N202-V252 HydrophobicContact CB-CG1 4.27Å; C203-V252 WeakPolarHBondContact O-CA 3.46Å |
| 253 | Y | 87.6 | Confident | 82.5 | Confident | 10 Ų | 10 | 62.6 Ų | 62.6 | 4% | 0.039 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 120 | 176.4 | -61.8 | -86.3 | 0 | 0 | 0 | 109.8 | C203 V205 Q214 V216 H233 C251 | C203-Y253 PolarHBondContact N-O 2.85Å; C203-Y253 PolarHBondContact O-N 2.77Å; V205-Y253 HydrophobicContact CB-CE2 4.42Å; V205-Y253 HydrophobicContact CG2-CD2 3.87Å; V205-Y253 HydrophobicContact CG2-CE2 4.03Å; Q214-Y253 VanDerWaalsContact NE2-CE2 3.31Å; Q214-Y253 PolarHBondContact NE2-OH 2.9Å; V216-Y253 HydrophobicContact CB-CD1 4.19Å; V216-Y253 HydrophobicContact CB-CD2 4.32Å; V216-Y253 HydrophobicContact CB-CE1 4.45Å; V216-Y253 HydrophobicContact CB-CG 4.1Å; V216-Y253 HydrophobicContact CG1-CD2 4.44Å; V216-Y253 HydrophobicContact CG1-CG 4.21Å; V216-Y253 HydrophobicContact CG2-CD1 3.99Å; V216-Y253 HydrophobicContact CG2-CD2 3.54Å; V216-Y253 HydrophobicContact CG2-CE1 3.91Å; V216-Y253 HydrophobicContact CG2-CE2 3.45Å; V216-Y253 VanDerWaalsContact CG2-CE2 3.45Å; V216-Y253 HydrophobicContact CG2-CG 3.79Å; H233-Y253 HydrophobicContact CB-CD1 3.99Å; H233-Y253 HydrophobicContact CB-CE1 4.42Å; H233-Y253 AromaticContact CD2-CD1 3.75Å; H233-Y253 AromaticContact CG-CD1 3.55Å; H233-Y253 AromaticContact CG-CE1 3.98Å; H233-Y253 AromaticContact ND1-CD1 3.74Å; H233-Y253 AromaticContact ND1-CE1 3.72Å; C251-Y253 HydrophobicContact CB-CD2 4.28Å; C251-Y253 HydrophobicContact CB-CE2 3.48Å; C251-Y253 VanDerWaalsContact CB-CE2 3.48Å |
| 254 | S | 87.9 | Confident | 83.3 | Confident | 36 Ų | 36 | 62.1 Ų | 62.1 | 25% | 0.252 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 131.2 | -176.3 | -58.5 | 0 | 0 | 0 | 0 | 110.8 | L201 N202 P256 | L201-S254 CarbonylContact O-C 3.59Å; L201-S254 VanDerWaalsContact O-CA 3.31Å; L201-S254 WeakPolarHBondContact O-CA 3.31Å; N202-S254 WeakPolarHBondContact OD1-CB 3.25Å; N202-S254 PolarHBondContact OD1-OG 3.4Å; S254-P256 WeakPolarHBondContact O-CD 3.36Å |
| 255 | L | 90.2 | Very high | 84.2 | Confident | 10 Ų | 10 | 58 Ų | 58 | 5% | 0.052 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 103.9 | 171.3 | 176.1 | 67.5 | 0 | 0 | 0 | 109.1 | T200 L201 W218 I230 Y231 L257 Y268 | T200-L255 WeakPolarHBondContact CA-O 3.38Å; L201-L255 HydrophobicContact CB-CB 4.41Å; L201-L255 PolarHBondContact N-O 2.88Å; L201-L255 PolarHBondContact O-N 2.59Å; W218-L255 HydrophobicContact CB-CD2 3.97Å; W218-L255 HydrophobicContact CD2-CB 3.97Å; W218-L255 HydrophobicContact CD2-CD2 3.79Å; W218-L255 HydrophobicContact CD2-CG 4.47Å; W218-L255 HydrophobicContact CE3-CD2 3.96Å; W218-L255 HydrophobicContact CG-CB 4.2Å; W218-L255 HydrophobicContact CG-CD2 3.82Å; W218-L255 HydrophobicContact CG-CG 4.43Å; W218-L255 HydrophobicContact CZ2-CB 4.08Å; I230-L255 HydrophobicContact CD1-CD2 3.57Å; Y231-L255 HydrophobicContact CD1-CD1 3.99Å; Y231-L255 HydrophobicContact CG-CD1 3.86Å; L255-L257 HydrophobicContact CD2-CD2 4.12Å; L255-L257 HydrophobicContact CG-CD2 4.17Å; L255-L257 HydrophobicContact CG-CG 4.41Å; L255-Y268 HydrophobicContact CD2-CD1 4.17Å |
| 256 | P | 89.8 | Confident | 85 | Confident | 78 Ų | 78 | 51.7 Ų | 51.7 | 51% | 0.506 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 124.9 | 173.8 | 30.7 | -31.9 | 0 | 0 | 0 | 110.4 | S254 | S254-P256 WeakPolarHBondContact O-CD 3.36Å |
| 257 | L | 89.7 | Confident | 86.1 | Confident | 26 Ų | 26 | 49.7 Ų | 49.7 | 14% | 0.136 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 134.4 | 170.8 | -57.1 | 170.7 | 0 | 0 | 0 | 108.3 | A198 V199 L201 L255 L260 Y268 L286 | A198-L257 CarbonylContact C-O 3.57Å; A198-L257 VanDerWaalsContact CA-O 3.25Å; A198-L257 WeakPolarHBondContact CA-O 3.42Å; V199-L257 HydrophobicContact CG1-CB 4.07Å; V199-L257 HydrophobicContact CG1-CD1 4.06Å; V199-L257 PolarHBondContact N-O 3.31Å; V199-L257 PolarHBondContact O-N 2.87Å; V199-L257 VanDerWaalsContact O-O 3.08Å; L201-L257 HydrophobicContact CD1-CD1 3.98Å; L201-L257 HydrophobicContact CG-CD1 4.19Å; L255-L257 HydrophobicContact CD2-CD2 4.12Å; L255-L257 HydrophobicContact CG-CD2 4.17Å; L255-L257 HydrophobicContact CG-CG 4.41Å; L257-L260 HydrophobicContact CB-CD2 3.8Å; L257-L260 HydrophobicContact CD1-CD2 4.4Å; L257-Y268 HydrophobicContact CD1-CD1 4.4Å; L257-Y268 HydrophobicContact CD1-CE1 3.81Å; L257-Y268 HydrophobicContact CD1-CE2 4.42Å; L257-Y268 HydrophobicContact CD2-CE1 4.18Å; L257-L286 HydrophobicContact CD1-CD2 4.14Å |
| 258 | K | 90.1 | Very high | 87 | Confident | 153 Ų | 153 | 45.3 Ų | 45.3 | 67% | 0.665 | 27% | 0.265 | S | S | * | . | trans | -130.2 | 158.2 | -177.2 | -62.1 | -176.5 | -179.5 | -178 | 0 | 109.8 | A198 L260 | A198-K258 HydrophobicContact CB-CG 4.16Å; K258-L260 VanDerWaalsContact C-N 3.28Å; K258-L260 PolarHBondContact O-N 2.8Å | ||
| 259 | D | 88.2 | Confident | 87.8 | Confident | 125 Ų | 125 | 46.2 Ų | 46.2 | 67% | 0.668 | 27% | 0.265 | S | S | * | . | S | Bend | trans | 52.4 | 46.5 | 173.8 | -54.3 | -45.4 | 0 | 0 | 0 | 112.4 | D197 T261 | D197-D259 PolarHBondContact O-N 2.9Å; D259-T261 PolarHBondContact O-N 2.85Å |
| 260 | L | 88.6 | Confident | 88.4 | Confident | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | trans | -62.3 | 132.9 | -170.4 | -69.9 | 171 | 0 | 0 | 0 | 112.7 | V193 P195 G196 D197 V199 L257 K258 D264 L286 L288 | V193-L260 HydrophobicContact CB-CD1 4.43Å; V193-L260 HydrophobicContact CG1-CD1 3.78Å; P195-L260 CarbonylContact C-O 3.53Å; P195-L260 VanDerWaalsContact CA-O 3.32Å; P195-L260 WeakPolarHBondContact CA-O 3.48Å; G196-L260 PolarHBondContact N-O 2.89Å; D197-L260 WeakPolarHBondContact O-CG 3.25Å; D197-L260 PolarHBondContact O-N 3.44Å; V199-L260 HydrophobicContact CB-CD1 4.39Å; V199-L260 HydrophobicContact CG1-CD1 3.84Å; L257-L260 HydrophobicContact CB-CD2 3.8Å; L257-L260 HydrophobicContact CD1-CD2 4.4Å; K258-L260 VanDerWaalsContact C-N 3.28Å; K258-L260 PolarHBondContact O-N 2.8Å; L260-D264 HydrophobicContact CD2-CB 3.86Å; L260-L286 HydrophobicContact CD1-CD2 4.23Å; L260-L286 HydrophobicContact CD2-CD2 3.98Å; L260-L288 HydrophobicContact CB-CD1 4.22Å; L260-L288 HydrophobicContact CB-CD2 4.01Å; L260-L288 HydrophobicContact CD1-CD2 4.17Å | ||
| 261 | T | 86.9 | Confident | 88.6 | Confident | 60 Ų | 60 | 43.1 Ų | 43.1 | 37% | 0.368 | 25% | 0.248 | S | C | . | . | trans | -116.1 | 162.6 | 176.9 | 64.1 | 0 | 0 | 0 | 0 | 110.6 | D259 S263 D264 L288 | D259-T261 PolarHBondContact O-N 2.85Å; T261-S263 PolarHBondContact O-N 3.02Å; T261-S263 PolarHBondContact OG1-OG 2.68Å; T261-D264 PolarHBondContact N-OD2 3.42Å; T261-D264 WeakPolarHBondContact O-CA 3.34Å; T261-D264 VanDerWaalsContact O-CB 3.3Å; T261-D264 WeakPolarHBondContact O-CB 3.41Å; T261-D264 PolarHBondContact O-N 3.19Å; T261-D264 PolarHBondContact OG1-OD2 2.89Å; T261-L288 WeakPolarHBondContact O-CD1 3.43Å | ||
| 262 | V | 84.6 | Confident | 88.8 | Confident | 94 Ų | 94 | 43.1 Ų | 43.1 | 57% | 0.57 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -54.1 | -31 | 177.6 | -178.2 | 0 | 0 | 0 | 0 | 112 | D264 A265 | V262-D264 PolarHBondContact O-N 2.82Å; V262-A265 WeakPolarHBondContact O-CB 3.25Å; V262-A265 PolarHBondContact O-N 3.48Å |
| 263 | S | 84.1 | Confident | 88.7 | Confident | 86 Ų | 86 | 41.9 Ų | 41.9 | 60% | 0.601 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -70.8 | -0.8 | 173.9 | 43 | 0 | 0 | 0 | 0 | 115 | R220 T261 | R220-S263 PolarHBondContact NH1-O 3.34Å; R220-S263 PolarHBondContact NH2-O 3.03Å; T261-S263 PolarHBondContact O-N 3.02Å; T261-S263 PolarHBondContact OG1-OG 2.68Å |
| 264 | D | 87.3 | Confident | 88.3 | Confident | 41 Ų | 41 | 41.4 Ų | 41.4 | 22% | 0.219 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -97.5 | -8.8 | 173 | -60.9 | -51.1 | 0 | 0 | 0 | 113.2 | R220 L260 T261 V262 Y268 L288 | R220-D264 VanDerWaalsContact CZ-CA 3.46Å; R220-D264 PolarHBondContact NE-O 2.85Å; R220-D264 IonicContact NH1-OD1 3.91Å; R220-D264 VanDerWaalsContact NH2-C 3.26Å; R220-D264 PolarHBondContact NH2-O 2.92Å; L260-D264 HydrophobicContact CD2-CB 3.86Å; T261-D264 PolarHBondContact N-OD2 3.42Å; T261-D264 WeakPolarHBondContact O-CA 3.34Å; T261-D264 VanDerWaalsContact O-CB 3.3Å; T261-D264 WeakPolarHBondContact O-CB 3.41Å; T261-D264 PolarHBondContact O-N 3.19Å; T261-D264 PolarHBondContact OG1-OD2 2.89Å; V262-D264 PolarHBondContact O-N 2.82Å; D264-Y268 PolarHBondContact O-OH 3.05Å; D264-L288 HydrophobicContact CB-CD1 4.49Å |
| 265 | A | 87.6 | Confident | 87.9 | Confident | 32 Ų | 32 | 42.5 Ų | 42.5 | 26% | 0.264 | 25% | 0.246 | S | C | . | . | trans | -61 | 140.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | R220 V262 L286 | R220-A265 PolarHBondContact NH2-O 3.16Å; V262-A265 WeakPolarHBondContact O-CB 3.25Å; V262-A265 PolarHBondContact O-N 3.48Å; A265-L286 WeakPolarHBondContact CA-O 3.5Å | ||
| 266 | G | 89.3 | Confident | 87.2 | Confident | 13 Ų | 13 | 43.7 Ų | 43.7 | 13% | 0.134 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 156.9 | -176.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | K221 L286 | K221-G266 WeakPolarHBondContact O-CA 3.5Å; G266-L286 PolarHBondContact N-O 2.85Å; G266-L286 PolarHBondContact O-N 3Å |
| 267 | T | 91 | Very high | 86.7 | Confident | 18 Ų | 18 | 41.3 Ų | 41.3 | 11% | 0.11 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 124.1 | 175.7 | -48 | 0 | 0 | 0 | 0 | 110.2 | K221 Y269 T284 | K221-T267 PolarHBondContact N-O 3.45Å; K221-T267 PolarHBondContact O-N 2.89Å; T267-Y269 HydrophobicContact CG2-CD2 4.31Å; T267-Y269 HydrophobicContact CG2-CE1 4.06Å; T267-Y269 HydrophobicContact CG2-CE2 3.59Å; T267-Y269 VanDerWaalsContact CG2-CZ 3.45Å; T267-Y269 WeakPolarHBondContact CG2-OH 3.43Å; T267-T284 WeakPolarHBondContact CA-O 3.38Å |
| 268 | Y | 91.6 | Very high | 86.5 | Confident | 3 Ų | 3 | 41 Ų | 41 | 1% | 0.012 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 121.5 | -179.2 | -68.5 | -102.9 | 0 | 0 | 0 | 109.6 | Q187 L201 F219 R220 I230 L255 L257 D264 G283 T284 L286 | Q187-Y268 PolarHBondContact NE2-O 3.3Å; L201-Y268 HydrophobicContact CD1-CD1 3.92Å; L201-Y268 HydrophobicContact CD1-CD2 4.05Å; L201-Y268 HydrophobicContact CD1-CG 3.58Å; F219-Y268 CarbonylContact O-C 3.53Å; F219-Y268 VanDerWaalsContact O-CA 3.3Å; F219-Y268 WeakPolarHBondContact O-CA 3.05Å; R220-Y268 HydrophobicContact CB-CD1 4.28Å; R220-Y268 HydrophobicContact CB-CE1 4.19Å; R220-Y268 WeakPolarHBondContact CD-OH 2.94Å; R220-Y268 HydrophobicContact CG-CD1 4.3Å; R220-Y268 HydrophobicContact CG-CE1 3.94Å; R220-Y268 HydrophobicContact CG-CE2 4.32Å; R220-Y268 PolarHBondContact NE-OH 2.94Å; I230-Y268 HydrophobicContact CD1-CD1 3.62Å; I230-Y268 HydrophobicContact CD1-CE1 3.61Å; L255-Y268 HydrophobicContact CD2-CD1 4.17Å; L257-Y268 HydrophobicContact CD1-CD1 4.4Å; L257-Y268 HydrophobicContact CD1-CE1 3.81Å; L257-Y268 HydrophobicContact CD1-CE2 4.42Å; L257-Y268 HydrophobicContact CD2-CE1 4.18Å; D264-Y268 PolarHBondContact O-OH 3.05Å; Y268-G283 CarbonylContact O-C 3.53Å; Y268-G283 VanDerWaalsContact O-CA 3.32Å; Y268-G283 WeakPolarHBondContact O-CA 3.34Å; Y268-T284 PolarHBondContact N-O 2.93Å; Y268-T284 PolarHBondContact O-N 3.36Å; Y268-L286 HydrophobicContact CD2-CB 4.08Å; Y268-L286 HydrophobicContact CE2-CB 3.78Å; Y268-L286 HydrophobicContact CE2-CD2 3.9Å |
| 269 | Y | 91.4 | Very high | 86.3 | Confident | 58 Ų | 58 | 35.5 Ų | 35.5 | 23% | 0.227 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 127 | -179.7 | -61.9 | -88.9 | 0 | 0 | 0 | 109.7 | W218 F219 K221 T267 | W218-Y269 WeakPolarHBondContact CA-O 3.34Å; F219-Y269 PolarHBondContact N-O 2.63Å; F219-Y269 PolarHBondContact O-N 2.94Å; K221-Y269 HydrophobicContact CB-CD2 4.38Å; K221-Y269 HydrophobicContact CB-CE2 3.77Å; K221-Y269 HydrophobicContact CD-CE2 4.32Å; T267-Y269 HydrophobicContact CG2-CD2 4.31Å; T267-Y269 HydrophobicContact CG2-CE1 4.06Å; T267-Y269 HydrophobicContact CG2-CE2 3.59Å; T267-Y269 VanDerWaalsContact CG2-CZ 3.45Å; T267-Y269 WeakPolarHBondContact CG2-OH 3.43Å |
| 270 | C | 92 | Very high | 86.3 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 127 | 165.6 | -178.9 | 0 | 0 | 0 | 0 | 108.5 | V185 Q187 C203 V216 W218 G281 | V185-C270 HydrophobicContact CG1-CB 4.29Å; Q187-C270 HydrophobicContact CG-CB 3.91Å; C203-C270 HydrophobicContact CB-CB 3.57Å; C203-C270 WeakPolarHBondContact CB-SG 3.46Å; C203-C270 WeakPolarHBondContact SG-CB 3.45Å; C203-C270 CovalentContact SG-SG 2.03Å; C203-C270 PolarHBondContact SG-SG 3.22Å; V216-C270 WeakPolarHBondContact CG1-SG 3.12Å; W218-C270 HydrophobicContact CD2-CB 4.4Å; W218-C270 HydrophobicContact CE3-CB 4.25Å; W218-C270 HydrophobicContact CH2-CB 4.02Å; W218-C270 HydrophobicContact CZ2-CB 4.16Å; W218-C270 HydrophobicContact CZ3-CB 4.05Å; C270-G281 PolarHBondContact O-N 3.43Å |
| 271 | V | 90.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 126 | 179.3 | -174.3 | 0 | 0 | 0 | 0 | 108.2 | L101 V216 Y217 F219 I278 V279 F280 | L101-V271 HydrophobicContact CD2-CG1 3.73Å; V216-V271 WeakPolarHBondContact CA-O 3.41Å; Y217-V271 WeakPolarHBondContact CD2-O 3.49Å; Y217-V271 PolarHBondContact N-O 2.84Å; Y217-V271 PolarHBondContact O-N 2.86Å; F219-V271 HydrophobicContact CD2-CB 4.14Å; F219-V271 HydrophobicContact CD2-CG2 3.57Å; F219-V271 HydrophobicContact CE2-CB 4.16Å; F219-V271 HydrophobicContact CE2-CG2 3.99Å; V271-I278 HydrophobicContact CG1-CG2 3.55Å; V271-V279 CarbonylContact C-O 3.53Å; V271-V279 WeakPolarHBondContact CA-O 3.32Å; V271-F280 HydrophobicContact CG1-CD1 4.38Å; V271-F280 HydrophobicContact CG1-CD2 4.42Å; V271-F280 HydrophobicContact CG1-CE1 4.21Å; V271-F280 HydrophobicContact CG1-CE2 4.23Å; V271-F280 HydrophobicContact CG1-CG 4.48Å; V271-F280 HydrophobicContact CG1-CZ 4.12Å; V271-F280 HydrophobicContact CG2-CD1 3.49Å; V271-F280 VanDerWaalsContact CG2-CD1 3.49Å; V271-F280 HydrophobicContact CG2-CE1 3.57Å; V271-F280 HydrophobicContact CG2-CG 4.18Å; V271-F280 HydrophobicContact CG2-CZ 4.31Å |
| 272 | V | 87.9 | Confident | 86.3 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.006 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 129.7 | -175.6 | -177 | 0 | 0 | 0 | 0 | 109 | V185 V205 Q214 V216 F274 I278 V279 | V185-V272 HydrophobicContact CG2-CB 4.28Å; V185-V272 HydrophobicContact CG2-CG2 3.67Å; V205-V272 HydrophobicContact CB-CG2 4.49Å; V205-V272 HydrophobicContact CG1-CB 4.49Å; V205-V272 HydrophobicContact CG1-CG1 3.97Å; V205-V272 HydrophobicContact CG1-CG2 4.03Å; V205-V272 HydrophobicContact CG2-CG2 3.58Å; Q214-V272 HydrophobicContact CG-CG1 4.22Å; V216-V272 HydrophobicContact CG1-CG2 4.46Å; V216-V272 HydrophobicContact CG2-CG1 4.36Å; V216-V272 HydrophobicContact CG2-CG2 4.09Å; V272-F274 HydrophobicContact CG1-CB 4.27Å; V272-I278 WeakPolarHBondContact O-CA 3.39Å; V272-V279 PolarHBondContact N-O 3.47Å; V272-V279 PolarHBondContact O-N 3.49Å |
| 273 | S | 86 | Confident | 86.5 | Confident | 31 Ų | 31 | 33.7 Ų | 33.7 | 22% | 0.217 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 116.5 | 165.6 | -175.4 | 0 | 0 | 0 | 0 | 108.6 | S215 Q277 | S215-S273 PolarHBondContact N-O 2.68Å; S215-S273 VanDerWaalsContact N-O 3.12Å; S215-S273 PolarHBondContact O-N 2.97Å; S273-Q277 WeakPolarHBondContact CA-O 3.39Å |
| 274 | F | 80.7 | Confident | 86.8 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 0% | 0.004 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 125.1 | 179.8 | -178.1 | -104.1 | 0 | 0 | 0 | 109.9 | I181 P183 T207 G208 C210 Q214 V272 G276 Q277 | I181-F274 HydrophobicContact CG2-CD1 4.29Å; I181-F274 HydrophobicContact CG2-CE1 3.81Å; P183-F274 HydrophobicContact CB-CD1 4.43Å; P183-F274 HydrophobicContact CG-CD1 4.39Å; T207-F274 HydrophobicContact CG2-CD1 4.18Å; T207-F274 HydrophobicContact CG2-CD2 4.09Å; T207-F274 HydrophobicContact CG2-CE1 4.39Å; T207-F274 HydrophobicContact CG2-CE2 4.31Å; T207-F274 HydrophobicContact CG2-CG 4.01Å; T207-F274 HydrophobicContact CG2-CZ 4.45Å; G208-F274 VanDerWaalsContact O-CZ 3.25Å; G208-F274 WeakPolarHBondContact O-CZ 3.5Å; C210-F274 HydrophobicContact CB-CE1 3.73Å; C210-F274 HydrophobicContact CB-CE2 4.21Å; C210-F274 HydrophobicContact CB-CZ 3.4Å; C210-F274 VanDerWaalsContact CB-CZ 3.4Å; C210-F274 VanDerWaalsContact SG-CE1 3.56Å; C210-F274 VanDerWaalsContact SG-CE2 3.51Å; C210-F274 WeakPolarHBondContact SG-CZ 3.47Å; Q214-F274 HydrophobicContact CB-CD2 4Å; Q214-F274 HydrophobicContact CG-CD2 4.15Å; V272-F274 HydrophobicContact CG1-CB 4.27Å; F274-G276 PolarHBondContact O-N 3.17Å; F274-Q277 PolarHBondContact N-O 3.47Å; F274-Q277 WeakPolarHBondContact O-CB 3.32Å; F274-Q277 PolarHBondContact O-N 3Å |
| 275 | C | 79 | Confident | 86.9 | Confident | 58 Ų | 58 | 35.2 Ų | 35.2 | 39% | 0.392 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 37.1 | -178.3 | -102 | 0 | 0 | 0 | 0 | 115 | C210 Q277 | C210-C275 HydrophobicContact CB-CB 4.08Å; C210-C275 WeakPolarHBondContact CB-SG 3.39Å; C210-C275 WeakPolarHBondContact SG-CB 3.25Å; C210-C275 CovalentContact SG-SG 2.02Å; C210-C275 PolarHBondContact SG-SG 3.38Å; C275-Q277 PolarHBondContact O-N 3.47Å |
| 276 | G | 75.3 | Confident | 86.9 | Confident | 35 Ų | 35 | 33.8 Ų | 33.8 | 36% | 0.361 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | -1.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | F274 | F274-G276 PolarHBondContact O-N 3.17Š|
| 277 | Q | 79.5 | Confident | 86.8 | Confident | 28 Ų | 28 | 36.8 Ų | 36.8 | 13% | 0.131 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 141.2 | 171.6 | -62.2 | -178.5 | -13.8 | 0 | 0 | 110.5 | M148 I181 S273 F274 C275 | M148-Q277 HydrophobicContact SD-CG 3.9Å; I181-Q277 PolarHBondContact O-OE1 3.47Å; S273-Q277 WeakPolarHBondContact CA-O 3.39Å; F274-Q277 PolarHBondContact N-O 3.47Å; F274-Q277 WeakPolarHBondContact O-CB 3.32Å; F274-Q277 PolarHBondContact O-N 3Å; C275-Q277 PolarHBondContact O-N 3.47Å |
| 278 | I | 84.7 | Confident | 86.3 | Confident | 21 Ų | 21 | 37 Ų | 37 | 11% | 0.108 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 122.2 | 174.1 | -57.9 | 177.5 | 0 | 0 | 0 | 108.3 | L101 V271 V272 F280 | L101-I278 HydrophobicContact CB-CD1 4.14Å; L101-I278 HydrophobicContact CD2-CD1 4.31Å; L101-I278 HydrophobicContact CD2-CG1 4.41Å; L101-I278 HydrophobicContact CD2-CG2 4.06Å; V271-I278 HydrophobicContact CG1-CG2 3.55Å; V272-I278 WeakPolarHBondContact O-CA 3.39Å; I278-F280 HydrophobicContact CG2-CD2 4.31Å; I278-F280 HydrophobicContact CG2-CE2 3.73Å; I278-F280 HydrophobicContact CG2-CZ 4.39Å |
| 279 | V | 85.9 | Confident | 85.4 | Confident | 37 Ų | 37 | 41.4 Ų | 41.4 | 22% | 0.224 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 132 | 177.6 | -180 | 0 | 0 | 0 | 0 | 110.6 | P183 V185 V271 V272 | P183-V279 HydrophobicContact CG-CG2 3.75Å; V185-V279 HydrophobicContact CG2-CB 4.32Å; V185-V279 HydrophobicContact CG2-CG1 3.82Å; V271-V279 CarbonylContact C-O 3.53Å; V271-V279 WeakPolarHBondContact CA-O 3.32Å; V272-V279 PolarHBondContact N-O 3.47Å; V272-V279 PolarHBondContact O-N 3.49Å |
| 280 | F | 87.8 | Confident | 84.2 | Confident | 77 Ų | 77 | 41.2 Ų | 41.2 | 34% | 0.338 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 134.2 | 177 | -69.8 | -105.7 | 0 | 0 | 0 | 109.2 | F71 I173 V271 I278 | F71-F280 HydrophobicContact CE1-CE1 4.46Å; F71-F280 HydrophobicContact CE1-CZ 4.16Å; I173-F280 HydrophobicContact CD1-CD2 4.07Å; I173-F280 HydrophobicContact CD1-CE2 3.53Å; I173-F280 HydrophobicContact CD1-CZ 4.5Å; V271-F280 HydrophobicContact CG1-CD1 4.38Å; V271-F280 HydrophobicContact CG1-CD2 4.42Å; V271-F280 HydrophobicContact CG1-CE1 4.21Å; V271-F280 HydrophobicContact CG1-CE2 4.23Å; V271-F280 HydrophobicContact CG1-CG 4.48Å; V271-F280 HydrophobicContact CG1-CZ 4.12Å; V271-F280 HydrophobicContact CG2-CD1 3.49Å; V271-F280 VanDerWaalsContact CG2-CD1 3.49Å; V271-F280 HydrophobicContact CG2-CE1 3.57Å; V271-F280 HydrophobicContact CG2-CG 4.18Å; V271-F280 HydrophobicContact CG2-CZ 4.31Å; I278-F280 HydrophobicContact CG2-CD2 4.31Å; I278-F280 HydrophobicContact CG2-CE2 3.73Å; I278-F280 HydrophobicContact CG2-CZ 4.39Å |
| 281 | G | 88.5 | Confident | 82.7 | Confident | 5 Ų | 5 | 47.3 Ų | 47.3 | 5% | 0.052 | 26% | 0.259 | C | S | . | . | trans | -70.9 | 164.3 | 163.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q187 C270 G283 | Q187-G281 VanDerWaalsContact OE1-C 3.28Å; Q187-G281 VanDerWaalsContact OE1-CA 3.3Å; C270-G281 PolarHBondContact O-N 3.43Å; G281-G283 PolarHBondContact O-N 2.87Å; G281-G283 VanDerWaalsContact O-N 3.07Å | ||
| 282 | N | 88 | Confident | 81.2 | Confident | 145 Ų | 145 | 49.2 Ų | 49.2 | 78% | 0.775 | 28% | 0.278 | S | S | * | . | trans | -66.5 | -10.3 | -176.2 | -68.3 | -13.2 | 0 | 0 | 0 | 114.1 | ||||
| 283 | G | 89.3 | Confident | 80 | Confident | 18 Ų | 18 | 56.2 Ų | 56.2 | 19% | 0.186 | 31% | 0.309 | C | S | . | . | trans | 85.6 | 147.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y268 G281 | Y268-G283 CarbonylContact O-C 3.53Å; Y268-G283 VanDerWaalsContact O-CA 3.32Å; Y268-G283 WeakPolarHBondContact O-CA 3.34Å; G281-G283 PolarHBondContact O-N 2.87Å; G281-G283 VanDerWaalsContact O-N 3.07Å | ||
| 284 | T | 90.7 | Very high | 78.8 | Confident | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.012 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 112.3 | -179.9 | -66.9 | 0 | 0 | 0 | 0 | 106.8 | Q187 S188 P190 L201 T267 Y268 | Q187-T284 WeakPolarHBondContact CB-OG1 3.39Å; Q187-T284 PolarHBondContact NE2-OG1 3.16Å; S188-T284 WeakPolarHBondContact O-CG2 3.22Å; S188-T284 PolarHBondContact O-OG1 2.85Å; P190-T284 HydrophobicContact CB-CG2 4.31Å; P190-T284 HydrophobicContact CG-CG2 3.48Å; P190-T284 VanDerWaalsContact CG-CG2 3.48Å; L201-T284 HydrophobicContact CD1-CG2 4.01Å; L201-T284 HydrophobicContact CD2-CG2 3.65Å; L201-T284 HydrophobicContact CG-CG2 4.34Å; T267-T284 WeakPolarHBondContact CA-O 3.38Å; Y268-T284 PolarHBondContact N-O 2.93Å; Y268-T284 PolarHBondContact O-N 3.36Å |
| 285 | R | 89.1 | Confident | 78.1 | Confident | 157 Ų | 157 | 67.8 Ų | 67.8 | 59% | 0.592 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86 | 115.2 | 178.7 | -175.8 | 177.5 | -74.5 | -116.7 | 1 | 110.2 | P190 T287 | P190-R285 WeakPolarHBondContact CG-O 3.42Å; R285-T287 HydrophobicContact CG-CG2 4.2Å |
| 286 | L | 87.9 | Confident | 77.8 | Confident | 2 Ų | 2 | 69.3 Ų | 69.3 | 1% | 0.01 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 117.2 | 173.8 | -175 | 66.5 | 0 | 0 | 0 | 109.7 | P190 V193 V199 L257 L260 A265 G266 Y268 | P190-L286 HydrophobicContact CB-CD1 4.42Å; P190-L286 HydrophobicContact CG-CD1 4.37Å; V193-L286 HydrophobicContact CB-CD1 4.31Å; V193-L286 HydrophobicContact CG2-CD1 3.79Å; V199-L286 HydrophobicContact CG1-CD1 4.23Å; L257-L286 HydrophobicContact CD1-CD2 4.14Å; L260-L286 HydrophobicContact CD1-CD2 4.23Å; L260-L286 HydrophobicContact CD2-CD2 3.98Å; A265-L286 WeakPolarHBondContact CA-O 3.5Å; G266-L286 PolarHBondContact N-O 2.85Å; G266-L286 PolarHBondContact O-N 3Å; Y268-L286 HydrophobicContact CD2-CB 4.08Å; Y268-L286 HydrophobicContact CE2-CB 3.78Å; Y268-L286 HydrophobicContact CE2-CD2 3.9Å |
| 287 | T | 85.3 | Confident | 77.7 | Confident | 76 Ų | 76 | 74 Ų | 74 | 47% | 0.466 | 38% | 0.38 | S | S | . | . | trans | -110.5 | 134.8 | 173 | 56 | 0 | 0 | 0 | 0 | 109.6 | V193 R285 | V193-T287 PolarHBondContact N-O 3.44Å; R285-T287 HydrophobicContact CG-CG2 4.2Å | ||
| 288 | L | 82.3 | Confident | 77.7 | Confident | 22 Ų | 22 | 78.7 Ų | 78.7 | 12% | 0.115 | 40% | 0.4 | C | S | . | . | B | Isolated β-bridge | trans | -110.7 | 122.8 | 177 | -70.1 | 167.5 | 0 | 0 | 0 | 109.5 | V193 L260 T261 D264 S290 | V193-L288 HydrophobicContact CB-CD2 4.02Å; V193-L288 HydrophobicContact CG1-CD2 4.29Å; V193-L288 WeakPolarHBondContact O-CA 3.36Å; V193-L288 WeakPolarHBondContact O-CD2 3.4Å; L260-L288 HydrophobicContact CB-CD1 4.22Å; L260-L288 HydrophobicContact CB-CD2 4.01Å; L260-L288 HydrophobicContact CD1-CD2 4.17Å; T261-L288 WeakPolarHBondContact O-CD1 3.43Å; D264-L288 HydrophobicContact CB-CD1 4.49Å; L288-S290 PolarHBondContact O-N 2.8Å |
| 289 | M | 71.9 | Confident | 77.8 | Confident | 96 Ų | 96 | 81.2 Ų | 81.2 | 47% | 0.473 | 42% | 0.416 | S | S | . | . | trans | -77.3 | 112.2 | 179.2 | -54.4 | -157.3 | -39.3 | 0 | 0 | 109.8 | V193 P195 E291 | V193-M289 PolarHBondContact O-N 3.42Å; P195-M289 WeakPolarHBondContact CD-O 3.47Å; M289-E291 PolarHBondContact O-N 2.8Å | ||
| 290 | S | 65.9 | Low | 77.8 | Confident | 54 Ų | 54 | 82.9 Ų | 82.9 | 38% | 0.378 | 43% | 0.427 | S | S | . | . | trans | -84.4 | 104.7 | 173.4 | 179.3 | 0 | 0 | 0 | 0 | 109.9 | L288 G292 | L288-S290 PolarHBondContact O-N 2.8Å; S290-G292 PolarHBondContact O-N 2.83Å | ||
| 291 | E | 60.6 | Low | 77.8 | Confident | 127 Ų | 127 | 81.4 Ų | 81.4 | 59% | 0.593 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -62.7 | -21.3 | 174 | -63.6 | -170.5 | 167.3 | 0 | 0 | 112.5 | R194 M289 K293 | R194-E291 IonicContact NE-OE1 3.1Å; M289-E291 PolarHBondContact O-N 2.8Å; E291-K293 PolarHBondContact O-N 3.47Å |
| 292 | G | 59.9 | Low | 78 | Confident | 40 Ų | 40 | 85.8 Ų | 85.8 | 41% | 0.412 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -69.8 | -31.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | S290 F294 L295 V296 | S290-G292 PolarHBondContact O-N 2.83Å; G292-F294 VanDerWaalsContact C-N 3.35Å; G292-F294 PolarHBondContact O-N 2.03Å; G292-L295 PolarHBondContact O-N 2.86Å; G292-V296 WeakPolarHBondContact O-CG2 3.27Å; G292-V296 PolarHBondContact O-N 2.91Å; G292-V296 VanDerWaalsContact O-N 3.11Å |
| 293 | K | 61.2 | Low | 78.2 | Confident | 148 Ų | 148 | 84.1 Ų | 84.1 | 64% | 0.643 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -66.7 | -38.5 | -180 | -72.4 | -176.9 | 178.6 | 178.2 | 0 | 111.5 | E291 V296 H297 | E291-K293 PolarHBondContact O-N 3.47Å; K293-V296 PolarHBondContact O-N 3.04Å; K293-H297 PolarHBondContact O-CD2 2.81Å; K293-H297 PolarHBondContact O-N 2.92Å |
| 294 | F | 61.7 | Low | 78.4 | Confident | 162 Ų | 162 | 85.9 Ų | 85.9 | 71% | 0.711 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -66.4 | -42.7 | 179.9 | -160.3 | -95 | 0 | 0 | 0 | 111.7 | G292 H297 F298 | G292-F294 VanDerWaalsContact C-N 3.35Å; G292-F294 PolarHBondContact O-N 2.03Å; F294-H297 PolarHBondContact O-N 3.03Å; F294-F298 WeakPolarHBondContact O-CB 3.05Å; F294-F298 PolarHBondContact O-N 2.8Å |
| 295 | L | 66.3 | Low | 78.5 | Confident | 113 Ų | 113 | 87.3 Ų | 87.3 | 59% | 0.592 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -61.6 | -43.2 | 175.1 | -96.1 | 154.3 | 0 | 0 | 0 | 112.4 | G292 F298 V299 | G292-L295 PolarHBondContact O-N 2.86Å; L295-F298 PolarHBondContact O-N 3.41Å; L295-V299 WeakPolarHBondContact O-CB 3.23Å; L295-V299 VanDerWaalsContact O-CG2 3.24Å; L295-V299 WeakPolarHBondContact O-CG2 3.42Å; L295-V299 PolarHBondContact O-N 3.1Å |
| 296 | V | 72.3 | Confident | 78.7 | Confident | 90 Ų | 90 | 85.1 Ų | 85.1 | 55% | 0.545 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.8 | -43.1 | 177.5 | 174.7 | 0 | 0 | 0 | 0 | 111.3 | G292 K293 F298 V299 T300 | G292-V296 WeakPolarHBondContact O-CG2 3.27Å; G292-V296 PolarHBondContact O-N 2.91Å; G292-V296 VanDerWaalsContact O-N 3.11Å; K293-V296 PolarHBondContact O-N 3.04Å; V296-F298 PolarHBondContact O-N 2.91Å; V296-V299 PolarHBondContact O-N 3.39Å; V296-T300 HydrophobicContact CG1-CG2 4.42Å; V296-T300 WeakPolarHBondContact O-CB 3.42Å; V296-T300 WeakPolarHBondContact O-CG2 3.25Å; V296-T300 PolarHBondContact O-N 2.79Å; V296-T300 PolarHBondContact O-OG1 2.69Å |
| 297 | H | 73.3 | Confident | 79 | Confident | 133 Ų | 133 | 91.5 Ų | 91.5 | 62% | 0.616 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.5 | -38 | 176 | -74.4 | -56.3 | 0 | 0 | 0 | 112.7 | K293 F294 T300 G301 | K293-H297 PolarHBondContact O-CD2 2.81Å; K293-H297 PolarHBondContact O-N 2.92Å; F294-H297 PolarHBondContact O-N 3.03Å; H297-T300 VanDerWaalsContact CA-OG1 3.28Å; H297-T300 WeakPolarHBondContact CA-OG1 3.47Å; H297-T300 PolarHBondContact O-OG1 2.93Å; H297-G301 PolarHBondContact O-N 3.26Å |
| 298 | F | 79.9 | Confident | 79.5 | Confident | 127 Ų | 127 | 93.2 Ų | 93.2 | 56% | 0.557 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -68.2 | -45.7 | 177 | -168.8 | -101.2 | 0 | 0 | 0 | 112.1 | F294 L295 V296 G301 L302 | F294-F298 WeakPolarHBondContact O-CB 3.05Å; F294-F298 PolarHBondContact O-N 2.8Å; L295-F298 PolarHBondContact O-N 3.41Å; V296-F298 PolarHBondContact O-N 2.91Å; F298-G301 PolarHBondContact O-N 2.83Å; F298-L302 HydrophobicContact CD1-CD1 3.79Å; F298-L302 HydrophobicContact CD1-CG 4.46Å; F298-L302 HydrophobicContact CE1-CD1 3.49Å; F298-L302 VanDerWaalsContact CE1-CD1 3.49Å; F298-L302 HydrophobicContact CE1-CG 4.24Å; F298-L302 HydrophobicContact CZ-CD1 4.22Å; F298-L302 WeakPolarHBondContact O-CG 3.3Å; F298-L302 PolarHBondContact O-N 2.95Å |
| 299 | V | 85.4 | Confident | 80.1 | Confident | 74 Ų | 74 | 96.2 Ų | 96.2 | 45% | 0.448 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 177.7 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | L295 V296 L302 L303 | L295-V299 WeakPolarHBondContact O-CB 3.23Å; L295-V299 VanDerWaalsContact O-CG2 3.24Å; L295-V299 WeakPolarHBondContact O-CG2 3.42Å; L295-V299 PolarHBondContact O-N 3.1Å; V296-V299 PolarHBondContact O-N 3.39Å; V299-L302 PolarHBondContact O-N 3.39Å; V299-L303 HydrophobicContact CG1-CD1 4.04Å; V299-L303 VanDerWaalsContact O-CG 3.32Å; V299-L303 WeakPolarHBondContact O-CG 3.48Å; V299-L303 PolarHBondContact O-N 3.46Å |
| 300 | T | 86.9 | Confident | 81.1 | Confident | 73 Ų | 73 | 96.3 Ų | 96.3 | 45% | 0.448 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.4 | -38.7 | 175.7 | 46.6 | 0 | 0 | 0 | 0 | 112.2 | V296 H297 L303 A304 | V296-T300 HydrophobicContact CG1-CG2 4.42Å; V296-T300 WeakPolarHBondContact O-CB 3.42Å; V296-T300 WeakPolarHBondContact O-CG2 3.25Å; V296-T300 PolarHBondContact O-N 2.79Å; V296-T300 PolarHBondContact O-OG1 2.69Å; H297-T300 VanDerWaalsContact CA-OG1 3.28Å; H297-T300 WeakPolarHBondContact CA-OG1 3.47Å; H297-T300 PolarHBondContact O-OG1 2.93Å; T300-L303 PolarHBondContact O-N 3.47Å; T300-A304 WeakPolarHBondContact O-CB 3.33Å; T300-A304 PolarHBondContact O-N 3.41Å |
| 301 | G | 87.8 | Confident | 82.4 | Confident | 45 Ų | 45 | 97.3 Ų | 97.3 | 46% | 0.464 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | H297 F298 A304 G305 | H297-G301 PolarHBondContact O-N 3.26Å; F298-G301 PolarHBondContact O-N 2.83Å; G301-A304 PolarHBondContact O-N 3.24Å; G301-G305 PolarHBondContact O-N 3.27Å |
| 302 | L | 91.9 | Very high | 84 | Confident | 97 Ų | 97 | 96.1 Ų | 96.1 | 51% | 0.508 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.9 | -44.6 | 176.1 | -75.6 | 172.5 | 0 | 0 | 0 | 112.3 | F298 V299 G305 L306 | F298-L302 HydrophobicContact CD1-CD1 3.79Å; F298-L302 HydrophobicContact CD1-CG 4.46Å; F298-L302 HydrophobicContact CE1-CD1 3.49Å; F298-L302 VanDerWaalsContact CE1-CD1 3.49Å; F298-L302 HydrophobicContact CE1-CG 4.24Å; F298-L302 HydrophobicContact CZ-CD1 4.22Å; F298-L302 WeakPolarHBondContact O-CG 3.3Å; F298-L302 PolarHBondContact O-N 2.95Å; V299-L302 PolarHBondContact O-N 3.39Å; L302-G305 PolarHBondContact O-N 3.33Å; L302-L306 WeakPolarHBondContact O-CG 3.21Å; L302-L306 PolarHBondContact O-N 3.48Å |
| 303 | L | 92.6 | Very high | 85.5 | Confident | 110 Ų | 110 | 98 Ų | 98 | 58% | 0.576 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64 | -41.7 | 177.6 | -71.3 | 171.1 | 0 | 0 | 0 | 112.1 | V299 T300 L306 F307 | V299-L303 HydrophobicContact CG1-CD1 4.04Å; V299-L303 VanDerWaalsContact O-CG 3.32Å; V299-L303 WeakPolarHBondContact O-CG 3.48Å; V299-L303 PolarHBondContact O-N 3.46Å; T300-L303 PolarHBondContact O-N 3.47Å; L303-L306 PolarHBondContact O-N 2.76Å; L303-F307 PolarHBondContact O-N 3.41Å |
| 304 | A | 92.9 | Very high | 86.9 | Confident | 55 Ų | 55 | 95.7 Ų | 95.7 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.9 | -41.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | T300 G301 F307 L308 | T300-A304 WeakPolarHBondContact O-CB 3.33Å; T300-A304 PolarHBondContact O-N 3.41Å; G301-A304 PolarHBondContact O-N 3.24Å; A304-F307 PolarHBondContact O-N 3.06Å; A304-L308 WeakPolarHBondContact O-CG 3.41Å; A304-L308 PolarHBondContact O-N 3.1Å |
| 305 | G | 93.5 | Very high | 88.3 | Confident | 33 Ų | 33 | 92.1 Ų | 92.1 | 34% | 0.34 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.2 | -45.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | G301 L302 F307 L308 V309 | G301-G305 PolarHBondContact O-N 3.27Å; L302-G305 PolarHBondContact O-N 3.33Å; G305-F307 VanDerWaalsContact C-N 3.3Å; G305-F307 PolarHBondContact O-N 3.33Å; G305-L308 PolarHBondContact O-N 3.32Å; G305-V309 WeakPolarHBondContact O-CG2 3.06Å; G305-V309 PolarHBondContact O-N 3.02Å; G305-V309 VanDerWaalsContact O-N 3.09Å |
| 306 | L | 94.3 | Very high | 89.5 | Confident | 111 Ų | 111 | 93.4 Ų | 93.4 | 58% | 0.581 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.7 | -39.5 | 175.8 | -72.3 | 170.3 | 0 | 0 | 0 | 112.1 | L302 L303 V309 L310 | L302-L306 WeakPolarHBondContact O-CG 3.21Å; L302-L306 PolarHBondContact O-N 3.48Å; L303-L306 PolarHBondContact O-N 2.76Å; L306-V309 PolarHBondContact O-N 2.89Å; L306-L310 WeakPolarHBondContact O-CG 3.48Å; L306-L310 PolarHBondContact O-N 2.71Å |
| 307 | F | 94.2 | Very high | 90.2 | Very high | 135 Ų | 135 | 97.7 Ų | 97.7 | 59% | 0.592 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.1 | -40.8 | 177.6 | -164.7 | -104.1 | 0 | 0 | 0 | 112.4 | L303 A304 G305 L310 I311 | L303-F307 PolarHBondContact O-N 3.41Å; A304-F307 PolarHBondContact O-N 3.06Å; G305-F307 VanDerWaalsContact C-N 3.3Å; G305-F307 PolarHBondContact O-N 3.33Å; F307-L310 PolarHBondContact O-N 2.82Å; F307-I311 HydrophobicContact CD1-CD1 3.64Å; F307-I311 HydrophobicContact CD1-CG1 4.38Å; F307-I311 HydrophobicContact CE1-CD1 3.53Å; F307-I311 HydrophobicContact CE1-CG1 4.26Å; F307-I311 HydrophobicContact CZ-CD1 4.43Å; F307-I311 WeakPolarHBondContact O-CG1 3.4Å; F307-I311 PolarHBondContact O-N 3.24Å |
| 308 | L | 94.4 | Very high | 90.6 | Very high | 112 Ų | 112 | 97.1 Ų | 97.1 | 59% | 0.586 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.6 | -42.5 | 175.1 | -71.8 | 171.9 | 0 | 0 | 0 | 111.9 | A304 G305 L310 I311 V312 | A304-L308 WeakPolarHBondContact O-CG 3.41Å; A304-L308 PolarHBondContact O-N 3.1Å; G305-L308 PolarHBondContact O-N 3.32Å; L308-L310 VanDerWaalsContact C-N 3.33Å; L308-L310 PolarHBondContact O-N 3.02Å; L308-I311 PolarHBondContact O-N 2.98Å; L308-V312 WeakPolarHBondContact O-CG2 3.09Å; L308-V312 PolarHBondContact O-N 2.8Å |
| 309 | V | 94.6 | Very high | 90.5 | Very high | 85 Ų | 85 | 98.6 Ų | 98.6 | 52% | 0.515 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.5 | -42.9 | 176.1 | 173.2 | 0 | 0 | 0 | 0 | 111 | G305 L306 I311 V312 I313 | G305-V309 WeakPolarHBondContact O-CG2 3.06Å; G305-V309 PolarHBondContact O-N 3.02Å; G305-V309 VanDerWaalsContact O-N 3.09Å; L306-V309 PolarHBondContact O-N 2.89Å; V309-I311 PolarHBondContact O-N 2.97Å; V309-V312 PolarHBondContact O-N 2.85Å; V309-I313 HydrophobicContact CG1-CD1 3.86Å; V309-I313 HydrophobicContact CG1-CG1 4.49Å; V309-I313 VanDerWaalsContact O-CG1 3.3Å; V309-I313 WeakPolarHBondContact O-CG1 3.49Å; V309-I313 PolarHBondContact O-N 2.98Å |
| 310 | L | 93 | Very high | 89.8 | Confident | 99 Ų | 99 | 98.6 Ų | 98.6 | 52% | 0.518 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.2 | -41.6 | 176.5 | -72.3 | 171.4 | 0 | 0 | 0 | 112.3 | L306 F307 L308 V312 I313 I314 | L306-L310 WeakPolarHBondContact O-CG 3.48Å; L306-L310 PolarHBondContact O-N 2.71Å; F307-L310 PolarHBondContact O-N 2.82Å; L308-L310 VanDerWaalsContact C-N 3.33Å; L308-L310 PolarHBondContact O-N 3.02Å; L310-V312 PolarHBondContact O-N 3.07Å; L310-I313 PolarHBondContact O-N 2.66Å; L310-I314 VanDerWaalsContact O-CG1 3.27Å; L310-I314 WeakPolarHBondContact O-CG1 3.36Å; L310-I314 PolarHBondContact O-N 3.36Å |
| 311 | I | 93.6 | Very high | 88.8 | Confident | 74 Ų | 74 | 102.3 Ų | 102.3 | 38% | 0.379 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.5 | -46.2 | 175.4 | -69.3 | 167.3 | 0 | 0 | 0 | 110.6 | F307 L308 V309 I313 I314 V315 | F307-I311 HydrophobicContact CD1-CD1 3.64Å; F307-I311 HydrophobicContact CD1-CG1 4.38Å; F307-I311 HydrophobicContact CE1-CD1 3.53Å; F307-I311 HydrophobicContact CE1-CG1 4.26Å; F307-I311 HydrophobicContact CZ-CD1 4.43Å; F307-I311 WeakPolarHBondContact O-CG1 3.4Å; F307-I311 PolarHBondContact O-N 3.24Å; L308-I311 PolarHBondContact O-N 2.98Å; V309-I311 PolarHBondContact O-N 2.97Å; I311-I313 VanDerWaalsContact C-N 3.32Å; I311-I313 PolarHBondContact O-N 3.2Å; I311-I314 PolarHBondContact O-N 3.28Å; I311-V315 HydrophobicContact CG2-CG2 4.35Å; I311-V315 WeakPolarHBondContact O-CG2 3.49Å; I311-V315 PolarHBondContact O-N 2.72Å |
| 312 | V | 93.7 | Very high | 87.3 | Confident | 102 Ų | 102 | 107.3 Ų | 107.3 | 62% | 0.618 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -59.9 | -43.4 | 177.9 | 172.8 | 0 | 0 | 0 | 0 | 111 | L308 V309 L310 V315 Y316 | L308-V312 WeakPolarHBondContact O-CG2 3.09Å; L308-V312 PolarHBondContact O-N 2.8Å; V309-V312 PolarHBondContact O-N 2.85Å; L310-V312 PolarHBondContact O-N 3.07Å; V312-V315 PolarHBondContact O-N 2.93Å; V312-Y316 WeakPolarHBondContact O-CB 3.47Å; V312-Y316 PolarHBondContact O-N 2.81Å |
| 313 | I | 92.6 | Very high | 85.4 | Confident | 81 Ų | 81 | 107 Ų | 107 | 42% | 0.415 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.3 | -44 | 176.5 | -67.9 | 166.8 | 0 | 0 | 0 | 110.9 | V309 L310 I311 Y316 R317 | V309-I313 HydrophobicContact CG1-CD1 3.86Å; V309-I313 HydrophobicContact CG1-CG1 4.49Å; V309-I313 VanDerWaalsContact O-CG1 3.3Å; V309-I313 WeakPolarHBondContact O-CG1 3.49Å; V309-I313 PolarHBondContact O-N 2.98Å; L310-I313 PolarHBondContact O-N 2.66Å; I311-I313 VanDerWaalsContact C-N 3.32Å; I311-I313 PolarHBondContact O-N 3.2Å; I313-Y316 PolarHBondContact O-N 3.41Å; I313-R317 HydrophobicContact CG2-CG 4.3Å; I313-R317 WeakPolarHBondContact O-CB 3.35Å; I313-R317 WeakPolarHBondContact O-CG 3.47Å; I313-R317 PolarHBondContact O-N 3.21Å |
| 314 | I | 90.8 | Very high | 83.5 | Confident | 99 Ų | 99 | 108.3 Ų | 108.3 | 51% | 0.508 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.9 | -46.5 | 178.8 | -69.7 | 165.5 | 0 | 0 | 0 | 110.6 | L310 I311 Y316 R317 M318 | L310-I314 VanDerWaalsContact O-CG1 3.27Å; L310-I314 WeakPolarHBondContact O-CG1 3.36Å; L310-I314 PolarHBondContact O-N 3.36Å; I311-I314 PolarHBondContact O-N 3.28Å; I314-Y316 VanDerWaalsContact C-N 3.34Å; I314-Y316 PolarHBondContact O-N 2.87Å; I314-R317 PolarHBondContact O-N 2.91Å; I314-M318 HydrophobicContact CG2-SD 4.05Å; I314-M318 WeakPolarHBondContact O-CG 3.21Å; I314-M318 PolarHBondContact O-N 3.05Å |
| 315 | V | 91.2 | Very high | 81.4 | Confident | 86 Ų | 86 | 113 Ų | 113 | 52% | 0.521 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.8 | -42.3 | 177.5 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | I311 V312 R317 M318 K319 | I311-V315 HydrophobicContact CG2-CG2 4.35Å; I311-V315 WeakPolarHBondContact O-CG2 3.49Å; I311-V315 PolarHBondContact O-N 2.72Å; V312-V315 PolarHBondContact O-N 2.93Å; V315-R317 PolarHBondContact O-N 3.24Å; V315-M318 PolarHBondContact O-N 2.93Å; V315-K319 PolarHBondContact O-N 2.71Å |
| 316 | Y | 90.6 | Very high | 79.2 | Confident | 140 Ų | 140 | 115.8 Ų | 115.8 | 55% | 0.549 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61.6 | -44.1 | 175.6 | -179.8 | -98.6 | 0 | 0 | 0 | 112 | V312 I313 I314 M318 K319 N320 | V312-Y316 WeakPolarHBondContact O-CB 3.47Å; V312-Y316 PolarHBondContact O-N 2.81Å; I313-Y316 PolarHBondContact O-N 3.41Å; I314-Y316 VanDerWaalsContact C-N 3.34Å; I314-Y316 PolarHBondContact O-N 2.87Å; Y316-M318 VanDerWaalsContact C-N 3.34Å; Y316-M318 PolarHBondContact O-N 3.03Å; Y316-K319 PolarHBondContact O-N 3.07Å; Y316-N320 PolarHBondContact O-N 2.98Å |
| 317 | R | 86.1 | Confident | 76.8 | Confident | 180 Ų | 180 | 115.2 Ų | 115.2 | 68% | 0.679 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.4 | -37.3 | 176.3 | -68.8 | -75.9 | -173.9 | 175.5 | 1.1 | 112.1 | I313 I314 V315 K321 | I313-R317 HydrophobicContact CG2-CG 4.3Å; I313-R317 WeakPolarHBondContact O-CB 3.35Å; I313-R317 WeakPolarHBondContact O-CG 3.47Å; I313-R317 PolarHBondContact O-N 3.21Å; I314-R317 PolarHBondContact O-N 2.91Å; V315-R317 PolarHBondContact O-N 3.24Å; R317-K321 WeakPolarHBondContact O-CB 3.43Å; R317-K321 PolarHBondContact O-N 2.8Å |
| 318 | M | 82 | Confident | 74 | Confident | 122 Ų | 122 | 112.4 Ų | 112.4 | 60% | 0.601 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -65.4 | -41 | 174.4 | -73.8 | 174.9 | 51.1 | 0 | 0 | 112 | I314 V315 Y316 K321 H322 | I314-M318 HydrophobicContact CG2-SD 4.05Å; I314-M318 WeakPolarHBondContact O-CG 3.21Å; I314-M318 PolarHBondContact O-N 3.05Å; V315-M318 PolarHBondContact O-N 2.93Å; Y316-M318 VanDerWaalsContact C-N 3.34Å; Y316-M318 PolarHBondContact O-N 3.03Å; M318-K321 PolarHBondContact O-N 3.47Å; M318-H322 PolarHBondContact O-N 3.16Å |
| 319 | K | 79 | Confident | 71 | Confident | 157 Ų | 157 | 114 Ų | 114 | 68% | 0.683 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66 | -45.7 | 178.2 | -166.9 | 176.2 | -179.4 | -180 | 0 | 112.2 | V315 Y316 K321 H322 T323 | V315-K319 PolarHBondContact O-N 2.71Å; Y316-K319 PolarHBondContact O-N 3.07Å; K319-K321 VanDerWaalsContact C-N 3.28Å; K319-K321 PolarHBondContact O-N 3.37Å; K319-H322 PolarHBondContact O-N 3.43Å; K319-T323 PolarHBondContact O-OG1 3.28Å |
| 320 | N | 69.6 | Low | 68.1 | Low | 74 Ų | 74 | 118.3 Ų | 118.3 | 40% | 0.396 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -65.5 | -28.5 | 177.2 | -101.1 | 7.8 | 0 | 0 | 0 | 113.4 | Y316 H322 T323 | Y316-N320 PolarHBondContact O-N 2.98Å; N320-H322 VanDerWaalsContact C-N 3.34Å; N320-T323 PolarHBondContact O-N 3.01Å |
| 321 | K | 65.7 | Low | 65.2 | Low | 151 Ų | 151 | 123.9 Ų | 123.9 | 66% | 0.657 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -70.6 | -30.4 | 177.4 | -163.3 | 176.4 | -179.6 | -177.1 | 0 | 112.5 | R317 M318 K319 | R317-K321 WeakPolarHBondContact O-CB 3.43Å; R317-K321 PolarHBondContact O-N 2.8Å; M318-K321 PolarHBondContact O-N 3.47Å; K319-K321 VanDerWaalsContact C-N 3.28Å; K319-K321 PolarHBondContact O-N 3.37Å |
| 322 | H | 56.7 | Low | 62.3 | Low | 150 Ų | 150 | 127.3 Ų | 127.3 | 69% | 0.694 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -74.1 | -28.5 | 175.6 | -94.3 | -84.2 | 0 | 0 | 0 | 113.4 | M318 K319 N320 | M318-H322 PolarHBondContact O-N 3.16Å; K319-H322 PolarHBondContact O-N 3.43Å; N320-H322 VanDerWaalsContact C-N 3.34Å |
| 323 | T | 51.8 | Low | 59.1 | Low | 91 Ų | 91 | 132.4 Ų | 132.4 | 56% | 0.558 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -74.8 | -27.2 | 179.4 | -31 | 0 | 0 | 0 | 0 | 112.7 | K319 N320 Q325 | K319-T323 PolarHBondContact O-OG1 3.28Å; N320-T323 PolarHBondContact O-N 3.01Å; T323-Q325 VanDerWaalsContact C-N 3.33Å; T323-Q325 PolarHBondContact O-N 2.98Å |
| 324 | N | 52.2 | Low | 56.4 | Low | 138 Ų | 138 | 135.4 Ų | 135.4 | 74% | 0.738 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | 2.1 | -179.4 | -69.3 | -22.4 | 0 | 0 | 0 | 114.7 | ||
| 325 | Q | 49.8 | Very low | 53.1 | Low | 153 Ų | 153 | 140.1 Ų | 140.1 | 72% | 0.715 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | 1.2 | 176.4 | -73.4 | -174.4 | -23.5 | 0 | 0 | 113.9 | T323 | T323-Q325 VanDerWaalsContact C-N 3.33Å; T323-Q325 PolarHBondContact O-N 2.98Å |
| 326 | A | 48 | Very low | 50.1 | Low | 92 Ų | 92 | 141.5 Ų | 141.5 | 76% | 0.76 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -93.1 | 1.3 | 180 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 327 | A | 42.4 | Very low | 46.9 | Very low | 98 Ų | 98 | 140.4 Ų | 140.4 | 81% | 0.81 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -127.9 | 90.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 328 | G | 35.8 | Very low | 44 | Very low | 77 Ų | 77 | 139.4 Ų | 139.4 | 79% | 0.794 | 74% | 0.741 | S | S | * | * | trans | 167.6 | 88.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 329 | T | 32.2 | Very low | 41.7 | Very low | 144 Ų | 144 | 142.4 Ų | 142.4 | 88% | 0.883 | 75% | 0.751 | S | S | * | * | trans | -73.2 | 127.5 | 176.3 | 19 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 330 | F | 33.9 | Very low | 39 | Very low | 177 Ų | 177 | 140 Ų | 140 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | trans | 36.3 | 108 | 137 | -114.7 | -101.3 | 0 | 0 | 0 | 120.7 | K332 | F330-K332 HydrophobicContact CD1-CB 4.48Å; F330-K332 HydrophobicContact CE1-CB 4.21Å; F330-K332 HydrophobicContact CE1-CD 4.5Å | ||
| 331 | K | 31.8 | Very low | 37.3 | Very low | 216 Ų | 216 | 143.2 Ų | 143.2 | 94% | 0.939 | 77% | 0.77 | S | S | * | * | trans | -133.7 | 119.8 | 134.2 | -92.3 | -170.4 | 179.9 | 178.2 | 0 | 109.5 | ||||
| 332 | K | 32 | Very low | 35.4 | Very low | 145 Ų | 145 | 145.1 Ų | 145.1 | 63% | 0.63 | 78% | 0.778 | S | S | * | * | trans | -83.7 | 128 | -178.4 | -159.7 | -175.8 | -177.9 | -154.4 | 0 | 109.8 | F330 E334 | F330-K332 HydrophobicContact CD1-CB 4.48Å; F330-K332 HydrophobicContact CE1-CB 4.21Å; F330-K332 HydrophobicContact CE1-CD 4.5Å; K332-E334 VanDerWaalsContact CE-OE1 3.28Å; K332-E334 WeakPolarHBondContact CE-OE1 3.36Å; K332-E334 IonicContact NZ-OE1 3.71Å; K332-E334 PolarHBondContact NZ-OE1 3.31Å | ||
| 333 | K | 27 | Very low | 34.3 | Very low | 210 Ų | 210 | 149.5 Ų | 149.5 | 91% | 0.913 | 79% | 0.788 | S | S | * | * | trans | -140.6 | 120.1 | 152.9 | -118.9 | -177.7 | -177.9 | -178.5 | 0 | 107.9 | ||||
| 334 | E | 35.7 | Very low | 33.1 | Very low | 144 Ų | 144 | 153.7 Ų | 153.7 | 67% | 0.673 | 80% | 0.804 | S | S | * | * | trans | -77.1 | 132.7 | -177.1 | -71.3 | 171.1 | 170.3 | 0 | 0 | 111.2 | K332 | K332-E334 VanDerWaalsContact CE-OE1 3.28Å; K332-E334 WeakPolarHBondContact CE-OE1 3.36Å; K332-E334 IonicContact NZ-OE1 3.71Å; K332-E334 PolarHBondContact NZ-OE1 3.31Å | ||
| 335 | H | 22.6 | Very low | 32.3 | Very low | 198 Ų | 198 | 153.1 Ų | 153.1 | 92% | 0.917 | 80% | 0.796 | S | S | * | * | -167.7 | 143.2 | 129.2 | -121.6 | -96.1 | 0 | 0 | 0 | 111.1 | |||||
| 336 | C | 26.4 | Very low | 31.6 | Very low | 114 Ų | 114 | 152.5 Ų | 152.5 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | trans | -70.8 | 139.4 | -163 | -158.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 337 | S | 23.7 | Very low | 31.3 | Very low | 117 Ų | 117 | 152.6 Ų | 152.6 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | 177.9 | 146.9 | 133 | 44.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 338 | L | 26.7 | Very low | 31.1 | Very low | 160 Ų | 160 | 154.5 Ų | 154.5 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | trans | -56.2 | 143 | -169.9 | -92.8 | 69.3 | 0 | 0 | 0 | 117.1 | ||||
| 339 | F | 32.1 | Very low | 31.2 | Very low | 185 Ų | 185 | 156.9 Ų | 156.9 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | trans | 35.6 | 107 | 133.1 | -123.1 | -98.3 | 0 | 0 | 0 | 118 | I341 | F339-I341 HydrophobicContact CE1-CD1 4.11Å; F339-I341 HydrophobicContact CE1-CG1 4.46Å | ||
| 340 | S | 23.7 | Very low | 31.5 | Very low | 105 Ų | 105 | 157.7 Ų | 157.7 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | -146.9 | 98.1 | 157.8 | -151.7 | 0 | 0 | 0 | 0 | 111.9 | K342 | S340-K342 PolarHBondContact O-N 3.23Š| ||
| 341 | I | 32.6 | Very low | 31.7 | Very low | 143 Ų | 143 | 154.8 Ų | 154.8 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | trans | -71.9 | 99.5 | 160.4 | -64.8 | 171.5 | 0 | 0 | 0 | 106.4 | F339 R343 | F339-I341 HydrophobicContact CE1-CD1 4.11Å; F339-I341 HydrophobicContact CE1-CG1 4.46Å; I341-R343 PolarHBondContact O-N 3.43Å; I341-R343 VanDerWaalsContact O-N 3.11Å | ||
| 342 | K | 27.1 | Very low | 31.9 | Very low | 191 Ų | 191 | 152 Ų | 152 | 83% | 0.83 | 75% | 0.751 | S | S | * | * | trans | -70.4 | 102.3 | 168.5 | -86.6 | -176.3 | 175.6 | 178.6 | 0 | 109.5 | S340 M344 | S340-K342 PolarHBondContact O-N 3.23Å; K342-M344 PolarHBondContact O-N 3.38Å | ||
| 343 | R | 32.2 | Very low | 32.2 | Very low | 242 Ų | 242 | 152.4 Ų | 152.4 | 91% | 0.913 | 75% | 0.753 | S | S | * | * | trans | -53.4 | 117.8 | 152.7 | -102.5 | 178.7 | 166.4 | 173.6 | -3.7 | 108.5 | I341 | I341-R343 PolarHBondContact O-N 3.43Å; I341-R343 VanDerWaalsContact O-N 3.11Å | ||
| 344 | M | 27.4 | Very low | 32.9 | Very low | 178 Ų | 178 | 147.6 Ų | 147.6 | 88% | 0.877 | 74% | 0.737 | S | S | * | * | trans | -101.5 | 97.3 | 169.5 | -156.4 | 160.6 | 80.9 | 0 | 0 | 110.3 | K342 | K342-M344 PolarHBondContact O-N 3.38Š| ||
| 345 | Q | 34.6 | Very low | 33 | Very low | 126 Ų | 126 | 148.9 Ų | 148.9 | 59% | 0.589 | 74% | 0.74 | S | S | * | * | trans | 57.8 | 92 | 140.3 | -58.3 | -160.7 | -19.8 | 0 | 0 | 121.4 | ||||
| 346 | V | 35 | Very low | 33.8 | Very low | 141 Ų | 141 | 143.5 Ų | 143.5 | 86% | 0.855 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -102.1 | 5.3 | 148.4 | 177.6 | 0 | 0 | 0 | 0 | 111 | ||
| 347 | T | 42.6 | Very low | 34.3 | Very low | 94 Ų | 94 | 148.4 Ų | 148.4 | 58% | 0.577 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -91.7 | 2.8 | -169.9 | 8.4 | 0 | 0 | 0 | 0 | 115.9 | ||
| 348 | H | 37.1 | Very low | 35 | Very low | 137 Ų | 137 | 146.4 Ų | 146.4 | 63% | 0.634 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -90.2 | -14.2 | -178.3 | -109.9 | -86.6 | 0 | 0 | 0 | 115.3 | ||
| 349 | I | 38.3 | Very low | 35.3 | Very low | 127 Ų | 127 | 147.5 Ų | 147.5 | 65% | 0.651 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -88.5 | -37.1 | 177.4 | -63.4 | 173.5 | 0 | 0 | 0 | 110.9 | L351 F352 F353 | I349-L351 PolarHBondContact O-N 3.13Å; I349-F352 PolarHBondContact O-N 3.45Å; I349-F353 HydrophobicContact CG2-CD2 4.49Å; I349-F353 HydrophobicContact CG2-CE2 4.34Å; I349-F353 WeakPolarHBondContact O-CD2 3.24Å |
| 350 | F | 38.2 | Very low | 35.4 | Very low | 161 Ų | 161 | 146.5 Ų | 146.5 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -70.9 | -32 | -177.8 | -113.1 | -93.7 | 0 | 0 | 0 | 114.2 | ||
| 351 | L | 39.7 | Very low | 35.8 | Very low | 116 Ų | 116 | 146.4 Ų | 146.4 | 61% | 0.607 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -80.1 | -16.5 | 179.1 | -79.8 | 166.6 | 0 | 0 | 0 | 113.8 | I349 K355 | I349-L351 PolarHBondContact O-N 3.13Å; L351-K355 PolarHBondContact O-N 3.35Å |
| 352 | F | 35.8 | Very low | 35.8 | Very low | 159 Ų | 159 | 151 Ų | 151 | 70% | 0.697 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -75.4 | -34.6 | 173.9 | -154.7 | -94 | 0 | 0 | 0 | 111.7 | I349 T356 | I349-F352 PolarHBondContact O-N 3.45Å; F352-T356 PolarHBondContact O-OG1 3.49Å |
| 353 | F | 37.6 | Very low | 36 | Very low | 152 Ų | 152 | 146.7 Ų | 146.7 | 67% | 0.667 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -75 | -30 | 177 | -82 | -77 | 0 | 0 | 0 | 114 | I349 T356 | I349-F353 HydrophobicContact CG2-CD2 4.49Å; I349-F353 HydrophobicContact CG2-CE2 4.34Å; I349-F353 WeakPolarHBondContact O-CD2 3.24Å; F353-T356 PolarHBondContact O-OG1 3.32Å |
| 354 | L | 42 | Very low | 35.7 | Very low | 110 Ų | 110 | 142.7 Ų | 142.7 | 58% | 0.576 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -78 | -26.9 | 177 | -72.6 | 168.5 | 0 | 0 | 0 | 113 | A358 | L354-A358 PolarHBondContact O-N 3.48Å |
| 355 | K | 37.2 | Very low | 35.6 | Very low | 170 Ų | 170 | 145.2 Ų | 145.2 | 74% | 0.739 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -81.3 | -21.6 | -179.5 | -146.4 | 171.3 | -173.1 | 178 | 0 | 113.5 | L351 | L351-K355 PolarHBondContact O-N 3.35Å |
| 356 | T | 39.1 | Very low | 35.2 | Very low | 86 Ų | 86 | 148.6 Ų | 148.6 | 53% | 0.528 | 73% | 0.728 | S | S | . | * | H | α-helix | trans | -79.5 | -30 | 171 | 31.1 | 0 | 0 | 0 | 0 | 112.3 | F352 F353 | F352-T356 PolarHBondContact O-OG1 3.49Å; F353-T356 PolarHBondContact O-OG1 3.32Å |
| 357 | R | 37.4 | Very low | 34.8 | Very low | 216 Ų | 216 | 149.6 Ų | 149.6 | 82% | 0.815 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -77.5 | -24.7 | 177 | -141.5 | 173 | -173.6 | 165.9 | 1.5 | 114 | ||
| 358 | A | 38.5 | Very low | 34.1 | Very low | 76 Ų | 76 | 154.4 Ų | 154.4 | 63% | 0.628 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | -6.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | L354 | L354-A358 PolarHBondContact O-N 3.48Š|
| 359 | K | 33.3 | Very low | 33.5 | Very low | 183 Ų | 183 | 154.3 Ų | 154.3 | 80% | 0.796 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -96.7 | -9.5 | -179.4 | -137.3 | 177.2 | -177.2 | -175.4 | 0 | 114.4 | ||
| 360 | N | 34.1 | Very low | 33 | Very low | 163 Ų | 163 | 158.8 Ų | 158.8 | 87% | 0.872 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -98.7 | 4.8 | 177.6 | -108.7 | 9.2 | 0 | 0 | 0 | 114.9 | ||
| 361 | S | 32.9 | Very low | 32.5 | Very low | 104 Ų | 104 | 157.2 Ų | 157.2 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -112.2 | 15.9 | 179.5 | -173.2 | 0 | 0 | 0 | 0 | 113.8 | ||
| 362 | R | 31.6 | Very low | 31.8 | Very low | 240 Ų | 240 | 154.9 Ų | 154.9 | 91% | 0.906 | 76% | 0.759 | S | S | * | * | trans | -122.6 | 68.7 | 171.4 | -87.5 | -175.6 | 179 | 172 | -0.7 | 110.3 | ||||
| 363 | S | 31.6 | Very low | 31.3 | Very low | 99 Ų | 99 | 157 Ų | 157 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -147.9 | 130 | 154.1 | -179.9 | 0 | 0 | 0 | 0 | 107.2 | ||
| 364 | N | 26 | Very low | 30.8 | Very low | 158 Ų | 158 | 157.7 Ų | 157.7 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | trans | 83.2 | 77 | 179.2 | -61.5 | -31.1 | 0 | 0 | 0 | 118.7 | ||||
| 365 | Y | 25 | Very low | 30.3 | Very low | 232 Ų | 232 | 157.9 Ų | 157.9 | 91% | 0.91 | 78% | 0.784 | S | S | * | * | trans | -91.1 | 122.6 | 138.1 | -119.2 | -88.8 | 0 | 0 | 0 | 108.1 | ||||
| 366 | K | 27.1 | Very low | 29.6 | Very low | 197 Ų | 197 | 154.5 Ų | 154.5 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | trans | -167.2 | 117.3 | 139.8 | -110 | 174.3 | -175.2 | -178.2 | 0 | 112.8 | ||||
| 367 | H | 26.3 | Very low | 28.8 | Very low | 162 Ų | 162 | 159.4 Ų | 159.4 | 75% | 0.75 | 79% | 0.788 | S | S | * | * | trans | 32.7 | 123.6 | 149.2 | -73.2 | -52.8 | 0 | 0 | 0 | 122.5 | ||||
| 368 | H | 27.1 | Very low | 28.2 | Very low | 195 Ų | 195 | 158.8 Ų | 158.8 | 90% | 0.903 | 79% | 0.785 | S | S | * | * | -162.5 | 173.4 | 106 | -108.7 | -60.8 | 0 | 0 | 0 | 112.2 | |||||
| 369 | N | 24.7 | Very low | 27.9 | Very low | 135 Ų | 135 | 164.1 Ų | 164.1 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | trans | -119 | 163.3 | -139.9 | -132.7 | -7.6 | 0 | 0 | 0 | 113 | ||||
| 370 | R | 28.2 | Very low | 27.6 | Very low | 221 Ų | 221 | 161 Ų | 161 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | trans | 70.3 | 144.5 | 159.4 | -73.3 | -176.6 | 174.7 | 169 | -2.1 | 117.4 | ||||
| 371 | T | 27 | Very low | 27.4 | Very low | 127 Ų | 127 | 158.2 Ų | 158.2 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | cis | -166.8 | 134.2 | 10 | 16.4 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 372 | G | 24.5 | Very low | 26.9 | Very low | 68 Ų | 68 | 160.8 Ų | 160.8 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | 96.9 | 103.1 | 85.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 373 | H | 27.1 | Very low | 26.7 | Very low | 202 Ų | 202 | 158.9 Ų | 158.9 | 94% | 0.935 | 79% | 0.79 | S | S | * | * | trans | 169.1 | 142 | 134.1 | -93.3 | -39.7 | 0 | 0 | 0 | 113 | ||||
| 374 | Q | 25.9 | Very low | 26.4 | Very low | 168 Ų | 168 | 160.8 Ų | 160.8 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | -131.9 | 139.4 | -179.4 | -174.4 | 176.8 | -1.5 | 0 | 0 | 107 | ||||
| 375 | P | 31 | Very low | 26.3 | Very low | 113 Ų | 113 | 159.3 Ų | 159.3 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | -148.5 | 130.5 | 117.5 | 24 | -2.1 | 0 | 0 | 0 | 112.8 | |||||
| 376 | T | 23.6 | Very low | 26.4 | Very low | 100 Ų | 100 | 159.9 Ų | 159.9 | 61% | 0.613 | 79% | 0.792 | S | S | * | * | 69.6 | 143.1 | 84.8 | 55.7 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 377 | Y | 22.8 | Very low | 26.3 | Very low | 189 Ų | 189 | 156.6 Ų | 156.6 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | trans | 93.5 | 138.2 | 164.4 | -73.2 | -71.9 | 0 | 0 | 0 | 118.1 | ||||
| 378 | R | 23.3 | Very low | 26.3 | Very low | 203 Ų | 203 | 158.8 Ų | 158.8 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | cis | -166.5 | 141.4 | -1.5 | -158 | 178.6 | -89.4 | -168.6 | -4.4 | 106.9 | ||||
| 379 | Q | 32.1 | Very low | 26.5 | Very low | 188 Ų | 188 | 155.7 Ų | 155.7 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | trans | -96.7 | 147.9 | 165.8 | -87.4 | -176.4 | -17.4 | 0 | 0 | 110.4 | ||||
| 380 | P | 27.8 | Very low | 26.7 | Very low | 117 Ų | 117 | 154.1 Ų | 154.1 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | -154.3 | -172.7 | 109.9 | 39.3 | -20.6 | 0 | 0 | 0 | 113.8 | |||||
| 381 | P | 29.8 | Very low | 26.8 | Very low | 105 Ų | 105 | 152.7 Ų | 152.7 | 68% | 0.682 | 81% | 0.806 | S | S | * | * | -124.2 | 168 | -54.2 | 35.6 | -20.1 | 0 | 0 | 0 | 113.5 | |||||
| 382 | L | 23.5 | Very low | 27.2 | Very low | 157 Ų | 157 | 155.7 Ų | 155.7 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | -67.1 | 138.9 | 170.9 | -91.5 | 86.3 | 0 | 0 | 0 | 112.7 | ||||
| 383 | F | 26 | Very low | 27.8 | Very low | 200 Ų | 200 | 159 Ų | 159 | 88% | 0.877 | 82% | 0.817 | S | S | * | * | trans | -112.6 | 126.5 | 154.3 | -86.9 | -85.7 | 0 | 0 | 0 | 110.9 | ||||
| 384 | I | 24.9 | Very low | 28.3 | Very low | 139 Ų | 139 | 158.6 Ų | 158.6 | 71% | 0.713 | 82% | 0.816 | S | S | * | * | trans | -87.7 | 134.7 | 179.3 | -64.5 | 166.5 | 0 | 0 | 0 | 108.9 | ||||
| 385 | C | 24.6 | Very low | 29.1 | Very low | 127 Ų | 127 | 160.2 Ų | 160.2 | 86% | 0.858 | 82% | 0.82 | S | S | * | * | trans | -129.9 | 117.6 | 159 | -85.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 386 | R | 26.5 | Very low | 29.4 | Very low | 244 Ų | 244 | 163.1 Ų | 163.1 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | trans | -77.8 | 134.2 | 171.5 | -86.4 | -178.5 | 173.7 | 173.8 | -1.9 | 110 | ||||
| 387 | C | 25.5 | Very low | 30.2 | Very low | 129 Ų | 129 | 166 Ų | 166 | 87% | 0.872 | 83% | 0.833 | S | S | * | * | trans | -78.4 | 147.6 | 172.7 | -68.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 388 | K | 27.5 | Very low | 31 | Very low | 207 Ų | 207 | 166.1 Ų | 166.1 | 90% | 0.9 | 84% | 0.84 | S | S | * | * | trans | -121 | 150.3 | 156.7 | -96.9 | -174.5 | 177.8 | 179.9 | 0 | 109.8 | ||||
| 389 | P | 30.2 | Very low | 32.1 | Very low | 130 Ų | 130 | 164.7 Ų | 164.7 | 84% | 0.844 | 84% | 0.842 | S | S | * | * | trans | -86.1 | 152.2 | -161.4 | -5.7 | 25 | 0 | 0 | 0 | 114.4 | ||||
| 390 | A | 28.6 | Very low | 32.6 | Very low | 102 Ų | 102 | 164.6 Ų | 164.6 | 84% | 0.843 | 84% | 0.842 | S | S | * | * | trans | -84.5 | 119.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 391 | Q | 31.7 | Very low | 33.3 | Very low | 191 Ų | 191 | 167 Ų | 167 | 89% | 0.893 | 85% | 0.847 | S | S | * | * | trans | -139.3 | 99.8 | 151.2 | -88.3 | -174.1 | -21.1 | 0 | 0 | 106.9 | ||||
| 392 | Q | 34.4 | Very low | 34 | Very low | 191 Ų | 191 | 173.2 Ų | 173.2 | 89% | 0.893 | 86% | 0.857 | S | S | * | * | trans | 168.5 | 73.4 | 151.2 | -95.8 | -169.9 | 24.2 | 0 | 0 | 110.4 | ||||
| 393 | V | 36 | Very low | 35.2 | Very low | 138 Ų | 138 | 175.2 Ų | 175.2 | 84% | 0.836 | 86% | 0.859 | S | S | * | * | trans | -141.7 | 67.5 | 158.4 | -169.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 394 | Q | 39.7 | Very low | 35.9 | Very low | 193 Ų | 193 | 177.5 Ų | 177.5 | 90% | 0.902 | 86% | 0.862 | S | S | * | * | S | Bend | trans | -136.9 | 29.4 | 167.1 | -150 | 162.3 | -14.8 | 0 | 0 | 111.9 | ||
| 395 | K | 41 | Very low | 36.9 | Very low | 202 Ų | 202 | 178.9 Ų | 178.9 | 88% | 0.878 | 87% | 0.87 | S | S | * | * | S | Bend | trans | -133.8 | 22.2 | 178.1 | -88.7 | -168.7 | 175.8 | -176.9 | 0 | 115.1 | ||
| 396 | K | 38.4 | Very low | 38 | Very low | 173 Ų | 173 | 178.3 Ų | 178.3 | 75% | 0.752 | 87% | 0.865 | S | S | * | * | S | Bend | trans | -114.9 | 3.4 | 179.9 | -116.9 | -177.9 | -179.7 | -178.1 | 0 | 116.4 | ||
| 397 | N | 39.3 | Very low | 39.3 | Very low | 161 Ų | 161 | 172.8 Ų | 172.8 | 86% | 0.861 | 86% | 0.861 | S | S | * | * | S | Bend | trans | -103 | 2.2 | 178.2 | -76.9 | 0.4 | 0 | 0 | 0 | 115 | ||
| 398 | E | 40.4 | Very low | 40.5 | Very low | 192 Ų | 192 | 175.2 Ų | 175.2 | 90% | 0.897 | 89% | 0.89 | S | S | * | * | S | Bend | trans | -105.5 | 3.8 | 174.7 | -82.7 | -165.8 | 142.3 | 0 | 0 | 114.9 | ||
| 399 | Q | 45.7 | Very low | 41.1 | Very low | 172 Ų | 172 | 173.6 Ų | 173.6 | 80% | 0.804 | 89% | 0.889 | S | S | * | * | S | Bend | trans | -113.7 | 6.2 | -177.9 | -101.3 | -178.4 | -11.6 | 0 | 0 | 116.2 | ||
| 400 | Q | 43 | Very low | 41.7 | Very low | 187 Ų | 187 | 175.9 Ų | 175.9 | 87% | 0.874 | 89% | 0.891 | S | S | * | * | S | Bend | trans | -108.1 | -0.2 | 173.6 | -88.8 | -171.9 | -25.4 | 0 | 0 | 115.2 | R402 | Q400-R402 PolarHBondContact O-N 3.21Š|
| 401 | L | 42.2 | Very low | 42.4 | Very low | 167 Ų | 167 | 180 Ų | 180 | 87% | 0.874 | 89% | 0.894 | S | S | * | * | S | Bend | trans | -95.1 | 27.5 | 174.6 | -149.4 | 77.6 | 0 | 0 | 0 | 113.7 | ||
| 402 | R | 45.1 | Very low | 43.1 | Very low | 235 Ų | 235 | 179.4 Ų | 179.4 | 89% | 0.887 | 89% | 0.894 | S | S | * | * | S | Bend | trans | -138.7 | 45 | 176.8 | -95.7 | -160.6 | -171 | -154.4 | 4.9 | 113 | Q400 | Q400-R402 PolarHBondContact O-N 3.21Š|
| 403 | K | 48.7 | Very low | 43.6 | Very low | 199 Ų | 199 | 178.6 Ų | 178.6 | 87% | 0.865 | 89% | 0.894 | S | S | * | * | trans | -149.3 | 64 | 166.4 | -69.9 | -166 | -179.5 | -179 | 0 | 112.3 | ||||
| 404 | R | 41.1 | Very low | 44.1 | Very low | 248 Ų | 248 | 181.3 Ų | 181.3 | 94% | 0.936 | 90% | 0.898 | S | S | * | * | trans | -152.6 | 82.5 | 155.8 | -73.7 | -161.5 | -166.6 | -153.5 | 3.4 | 110 | ||||
| 405 | L | 45.9 | Very low | 44.4 | Very low | 168 Ų | 168 | 180.5 Ų | 180.5 | 88% | 0.88 | 90% | 0.898 | S | S | * | * | trans | -134.3 | 136 | 149.1 | -105.1 | 104.1 | 0 | 0 | 0 | 107.4 | ||||
| 406 | P | 47.5 | Very low | 44.7 | Very low | 115 Ų | 115 | 178.8 Ų | 178.8 | 75% | 0.747 | 90% | 0.899 | S | S | * | * | trans | -77.8 | 154.5 | 175.6 | 31.4 | -31.1 | 0 | 0 | 0 | 111.1 | ||||
| 407 | P | 53.8 | Low | 45.2 | Very low | 129 Ų | 129 | 179.3 Ų | 179.3 | 84% | 0.838 | 91% | 0.912 | S | S | * | * | trans | -74.6 | 156 | 175.6 | 32.3 | -32 | 0 | 0 | 0 | 111.3 | ||||
| 408 | A | 50.3 | Low | 45.8 | Very low | 179 Ų | 179 | 181 Ų | 181 | 100% | 1.479 | 92% | 0.916 | S | S | * | * | trans | -64.2 | 0 | -173 | 0 | 0 | 0 | 0 | 0 | 115 |
Retrieved 408 of 408 residues in 237.7 ms
(Link to these results)