| 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 | 34 | Very low | 41.8 | Very low | 216 Ų | 216 | 160.5 Ų | 160.5 | 100% | 1.064 | 82% | 0.818 | S | S | * | * | 0 | 96 | 0 | -56 | 73.8 | 174.7 | 0 | 0 | 106.1 | |||||
| 2 | D | 36.1 | Very low | 42.3 | Very low | 139 Ų | 139 | 155.2 Ų | 155.2 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | 94.7 | 139.2 | 88.9 | -66.8 | -51.2 | 0 | 0 | 0 | 109.6 | |||||
| 3 | L | 38.7 | Very low | 41.4 | Very low | 154 Ų | 154 | 154.8 Ų | 154.8 | 81% | 0.806 | 80% | 0.801 | S | S | * | * | cis | -154.9 | -179 | -6.8 | -115.9 | 167.2 | 0 | 0 | 0 | 109.7 | ||||
| 4 | L | 40.6 | Very low | 40.6 | Very low | 161 Ų | 161 | 159.7 Ų | 159.7 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -94 | -151.8 | -179.3 | -69.7 | 162.4 | 0 | 0 | 0 | 113 | ||||
| 5 | P | 67.4 | Low | 40.3 | Very low | 109 Ų | 109 | 158.1 Ų | 158.1 | 71% | 0.708 | 80% | 0.799 | S | S | * | * | -115.2 | -160.4 | -118.7 | 36.3 | -14.3 | 0 | 0 | 0 | 113 | |||||
| 6 | P | 52.4 | Low | 39.5 | Very low | 123 Ų | 123 | 159.8 Ų | 159.8 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | -151.8 | -171.2 | 94.6 | 39.8 | -20.6 | 0 | 0 | 0 | 116.3 | |||||
| 7 | K | 33.9 | Very low | 39.3 | Very low | 197 Ų | 197 | 156.2 Ų | 156.2 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | trans | -107.5 | -142.9 | 178 | -65.2 | 178.3 | 179.2 | 176.7 | 0 | 112 | ||||
| 8 | P | 61.8 | Low | 38.9 | Very low | 114 Ų | 114 | 156.9 Ų | 156.9 | 74% | 0.74 | 80% | 0.801 | S | S | * | * | -120.6 | -167.2 | -104.1 | 40.3 | -22.5 | 0 | 0 | 0 | 113.8 | |||||
| 9 | K | 35.3 | Very low | 38.4 | Very low | 211 Ų | 211 | 154 Ų | 154 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | trans | -156.7 | 176.5 | 161.2 | -109.8 | 150.7 | -171.4 | 177.6 | 0 | 113.5 | ||||
| 10 | Y | 29 | Very low | 38 | Very low | 209 Ų | 209 | 150.8 Ų | 150.8 | 82% | 0.82 | 79% | 0.788 | S | S | * | * | trans | -147.9 | 128.9 | -146.8 | -145.8 | -109.1 | 0 | 0 | 0 | 113 | ||||
| 11 | N | 30.3 | Very low | 37.9 | Very low | 132 Ų | 132 | 150 Ų | 150 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | trans | 55.6 | -177.7 | 149.7 | -92.6 | -59.7 | 0 | 0 | 0 | 119.7 | ||||
| 12 | P | 48.5 | Very low | 37.9 | Very low | 97 Ų | 97 | 146.9 Ų | 146.9 | 63% | 0.63 | 77% | 0.767 | S | S | * | * | cis | -131.3 | -159.6 | -25.6 | 24.6 | 0.3 | 0 | 0 | 0 | 112.8 | ||||
| 13 | L | 29.7 | Very low | 37.9 | Very low | 150 Ų | 150 | 148.5 Ų | 148.5 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | 80.1 | 153.8 | 159.8 | -55 | -178.8 | 0 | 0 | 0 | 117.7 | ||||
| 14 | R | 30.3 | Very low | 37.5 | Very low | 224 Ų | 224 | 144.7 Ų | 144.7 | 85% | 0.845 | 77% | 0.768 | S | S | * | * | cis | -167.8 | 160 | -21.9 | 176 | 173.2 | -176.6 | 170.5 | 0.1 | 108.2 | ||||
| 15 | N | 36.1 | Very low | 37.2 | Very low | 136 Ų | 136 | 141.6 Ų | 141.6 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | -54.3 | 157.7 | 172.8 | -97.8 | 28 | 0 | 0 | 0 | 114.3 | ||||
| 16 | E | 28.5 | Very low | 35.5 | Very low | 185 Ų | 185 | 142.1 Ų | 142.1 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | -159.2 | 168.1 | 122.9 | -91.6 | -62.1 | 71.6 | 0 | 0 | 109.9 | |||||
| 17 | S | 35 | Very low | 34.4 | Very low | 99 Ų | 99 | 140.1 Ų | 140.1 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | trans | -115.6 | 175 | -166.8 | -55.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 18 | L | 32.2 | Very low | 34.1 | Very low | 168 Ų | 168 | 136.6 Ų | 136.6 | 88% | 0.88 | 77% | 0.774 | S | S | * | * | trans | 168.6 | 150.1 | 150 | -91.7 | 164.1 | 0 | 0 | 0 | 107.9 | ||||
| 19 | S | 29.7 | Very low | 32.6 | Very low | 102 Ų | 102 | 137.6 Ų | 137.6 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | cis | -125.4 | 167.3 | 8 | 64.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 20 | S | 30.3 | Very low | 33.6 | Very low | 90 Ų | 90 | 132.9 Ų | 132.9 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | cis | 69.6 | 135.5 | 39.8 | -89.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 21 | L | 36.8 | Very low | 34.4 | Very low | 134 Ų | 134 | 128 Ų | 128 | 70% | 0.702 | 76% | 0.763 | S | S | * | * | cis | -165.4 | 167.4 | 2.7 | -164.7 | 52.1 | 0 | 0 | 0 | 113.1 | ||||
| 22 | E | 34.3 | Very low | 34.3 | Very low | 150 Ų | 150 | 129.1 Ų | 129.1 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | trans | 63.6 | 154.5 | 154.5 | -92.3 | 156.7 | 50.2 | 0 | 0 | 121.4 | ||||
| 23 | E | 35.3 | Very low | 33.2 | Very low | 173 Ų | 173 | 132.9 Ų | 132.9 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | cis | -152.1 | 145.4 | -17.1 | -147 | 174.6 | 49 | 0 | 0 | 109.4 | ||||
| 24 | G | 30.2 | Very low | 33.2 | Very low | 74 Ų | 74 | 132.6 Ų | 132.6 | 76% | 0.763 | 77% | 0.772 | S | S | * | * | 109.2 | 158.3 | 92.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 25 | A | 33.7 | Very low | 33.5 | Very low | 97 Ų | 97 | 127.5 Ų | 127.5 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | cis | -174.4 | 163.1 | -11.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 26 | S | 32.5 | Very low | 33.2 | Very low | 119 Ų | 119 | 125.7 Ų | 125.7 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | cis | -175.5 | 142.3 | -21.4 | 54.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 27 | G | 28.3 | Very low | 33.6 | Very low | 81 Ų | 81 | 123.2 Ų | 123.2 | 84% | 0.835 | 77% | 0.766 | S | S | * | * | trans | 112 | 159.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 28 | S | 29.3 | Very low | 33.2 | Very low | 123 Ų | 123 | 123.7 Ų | 123.7 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | cis | -156 | 179.8 | -4.5 | 54.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 29 | T | 29.7 | Very low | 33 | Very low | 136 Ų | 136 | 120.2 Ų | 120.2 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | trans | -108.5 | -156.9 | -158.7 | 57.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 30 | P | 56.2 | Low | 32.8 | Very low | 111 Ų | 111 | 121 Ų | 121 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | -115.4 | -172.6 | -121.3 | 41.5 | -21 | 0 | 0 | 0 | 114 | |||||
| 31 | P | 46.7 | Very low | 32.7 | Very low | 108 Ų | 108 | 121.7 Ų | 121.7 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | -147 | -154.9 | 85.1 | 38.8 | -16 | 0 | 0 | 0 | 112.1 | |||||
| 32 | E | 27.3 | Very low | 32.3 | Very low | 155 Ų | 155 | 123.4 Ų | 123.4 | 72% | 0.724 | 78% | 0.784 | S | S | * | * | cis | -159.4 | 160.2 | 2.1 | -156.7 | 38.2 | 98.6 | 0 | 0 | 114 | ||||
| 33 | E | 24.9 | Very low | 32.1 | Very low | 175 Ų | 175 | 119 Ų | 119 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | 59.3 | 171.4 | 153.4 | -94.7 | -170.6 | 119.3 | 0 | 0 | 126.1 | ||||
| 34 | L | 31.1 | Very low | 32 | Very low | 144 Ų | 144 | 116.2 Ų | 116.2 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | trans | -132.7 | 174.5 | -161.9 | -110.7 | 170.8 | 0 | 0 | 0 | 108.6 | ||||
| 35 | P | 36 | Very low | 31.8 | Very low | 118 Ų | 118 | 120.4 Ų | 120.4 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | -153.8 | 176.1 | 57.5 | 42.1 | -19.8 | 0 | 0 | 0 | 118.7 | |||||
| 36 | S | 30 | Very low | 31.8 | Very low | 97 Ų | 97 | 122.6 Ų | 122.6 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | trans | -104.3 | 157.9 | 158.6 | -42.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 37 | P | 35.9 | Very low | 31.8 | Very low | 133 Ų | 133 | 122.8 Ų | 122.8 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | trans | -106.1 | 159.9 | 152.3 | 35.3 | -28.9 | 0 | 0 | 0 | 112 | ||||
| 38 | S | 26.8 | Very low | 32.3 | Very low | 110 Ų | 110 | 123.7 Ų | 123.7 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | -126 | 157 | -162.5 | -54.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 39 | A | 27.6 | Very low | 32.3 | Very low | 95 Ų | 95 | 126.1 Ų | 126.1 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | 67.7 | 152.4 | 162 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 40 | S | 26.4 | Very low | 32.6 | Very low | 117 Ų | 117 | 125.3 Ų | 125.3 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | cis | -146.1 | 170.4 | 34.9 | -62 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 41 | S | 28.3 | Very low | 31.1 | Very low | 106 Ų | 106 | 123.8 Ų | 123.8 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | trans | -68.8 | 152.1 | -178.5 | 57.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 42 | L | 28.6 | Very low | 30.4 | Very low | 169 Ų | 169 | 125.2 Ų | 125.2 | 89% | 0.885 | 77% | 0.772 | S | S | * | * | -165.9 | 136.5 | 117.2 | -101.2 | 165.3 | 0 | 0 | 0 | 109.9 | |||||
| 43 | G | 30 | Very low | 30.6 | Very low | 59 Ų | 59 | 125.3 Ų | 125.3 | 61% | 0.608 | 78% | 0.777 | S | S | * | * | trans | -82.4 | 175 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 44 | P | 32 | Very low | 31 | Very low | 114 Ų | 114 | 121 Ų | 121 | 74% | 0.74 | 77% | 0.766 | S | S | * | * | -151.6 | 165 | 63.9 | 40.7 | -22 | 0 | 0 | 0 | 118.2 | |||||
| 45 | I | 26.7 | Very low | 31.2 | Very low | 161 Ų | 161 | 116.7 Ų | 116.7 | 83% | 0.826 | 75% | 0.747 | S | S | * | * | trans | 60.8 | 126.4 | 141.1 | -67.5 | 165.7 | 0 | 0 | 0 | 120.4 | ||||
| 46 | L | 34 | Very low | 31.4 | Very low | 144 Ų | 144 | 115.6 Ų | 115.6 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | trans | -77.4 | 157.5 | 167.6 | -106.4 | 91.9 | 0 | 0 | 0 | 112.6 | P48 | L46-P48 HydrophobicContact CD2-CG 4.44Š| ||
| 47 | P | 31.3 | Very low | 31.8 | Very low | 122 Ų | 122 | 116.9 Ų | 116.9 | 79% | 0.792 | 74% | 0.743 | S | S | * | * | -138.5 | 155.9 | 98.6 | 37.8 | -26.8 | 0 | 0 | 0 | 115.1 | |||||
| 48 | P | 38.8 | Very low | 32.1 | Very low | 100 Ų | 100 | 113.9 Ų | 113.9 | 65% | 0.649 | 72% | 0.719 | S | S | * | * | trans | -97.7 | 144.7 | 177.3 | 37.1 | -31.3 | 0 | 0 | 0 | 113.2 | L46 | L46-P48 HydrophobicContact CD2-CG 4.44Š| ||
| 49 | L | 30.1 | Very low | 32.5 | Very low | 174 Ų | 174 | 112.7 Ų | 112.7 | 91% | 0.911 | 71% | 0.709 | S | S | * | * | trans | -149.2 | 165.3 | 169.1 | -87.5 | -167.2 | 0 | 0 | 0 | 111.2 | ||||
| 50 | P | 35.3 | Very low | 32.6 | Very low | 120 Ų | 120 | 112.7 Ų | 112.7 | 78% | 0.779 | 70% | 0.704 | S | S | * | * | -117.2 | 171.4 | -128.8 | 42.6 | -37.1 | 0 | 0 | 0 | 116 | |||||
| 51 | G | 26.1 | Very low | 32.9 | Very low | 79 Ų | 79 | 114.1 Ų | 114.1 | 81% | 0.814 | 70% | 0.696 | S | S | * | * | trans | -132.4 | 125.8 | 160 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 52 | D | 32 | Very low | 33 | Very low | 138 Ų | 138 | 118.7 Ų | 118.7 | 74% | 0.738 | 70% | 0.703 | S | S | * | * | trans | -96.4 | 119.8 | 173.9 | -169.7 | -65.1 | 0 | 0 | 0 | 108.3 | S54 | D52-S54 PolarHBondContact OD1-N 3.38Å; D52-S54 PolarHBondContact OD1-OG 3.45Å | ||
| 53 | D | 30.2 | Very low | 33.1 | Very low | 156 Ų | 156 | 116.4 Ų | 116.4 | 83% | 0.834 | 70% | 0.697 | S | S | * | * | trans | -121.1 | 86.6 | 171.7 | -154.9 | -70.4 | 0 | 0 | 0 | 109.1 | ||||
| 54 | S | 34.5 | Very low | 33.2 | Very low | 84 Ų | 84 | 123.8 Ų | 123.8 | 59% | 0.587 | 71% | 0.707 | S | S | * | * | trans | -82 | 121.3 | 178 | -74.7 | 0 | 0 | 0 | 0 | 110.3 | D52 T56 | D52-S54 PolarHBondContact OD1-N 3.38Å; D52-S54 PolarHBondContact OD1-OG 3.45Å; S54-T56 PolarHBondContact O-N 2.92Å | ||
| 55 | P | 35.3 | Very low | 32.8 | Very low | 54 Ų | 54 | 127.2 Ų | 127.2 | 35% | 0.351 | 72% | 0.716 | S | S | . | * | trans | -67.1 | 127.3 | -170.1 | 25.9 | -35.2 | 0 | 0 | 0 | 112.6 | T57 P268 | P55-T57 PolarHBondContact O-N 3.43Å; P55-T57 VanDerWaalsContact O-N 3.09Å; P55-P268 HydrophobicContact CG-CB 3.88Å; P55-P268 HydrophobicContact CG-CG 4.2Å | ||
| 56 | T | 39 | Very low | 32.9 | Very low | 96 Ų | 96 | 124 Ų | 124 | 59% | 0.589 | 71% | 0.707 | S | S | * | * | trans | -69.8 | 101.9 | 178.9 | 38.3 | 0 | 0 | 0 | 0 | 111.9 | S54 Q298 | S54-T56 PolarHBondContact O-N 2.92Å; T56-Q298 PolarHBondContact O-NE2 2.79Å; T56-Q298 PolarHBondContact OG1-NE2 1.88Å | ||
| 57 | T | 39.6 | Very low | 32.5 | Very low | 124 Ų | 124 | 124 Ų | 124 | 76% | 0.761 | 71% | 0.708 | S | S | * | * | trans | -76.9 | 139.9 | 157.2 | 51.6 | 0 | 0 | 0 | 0 | 109.7 | P55 C59 | P55-T57 PolarHBondContact O-N 3.43Å; P55-T57 VanDerWaalsContact O-N 3.09Å; T57-C59 VanDerWaalsContact C-N 3.27Å; T57-C59 PolarHBondContact O-N 3.41Å | ||
| 58 | L | 40.5 | Very low | 32.3 | Very low | 70 Ų | 70 | 125.9 Ų | 125.9 | 37% | 0.366 | 71% | 0.711 | S | S | . | * | S | Bend | trans | -76.8 | 65 | -175.1 | -69.9 | -179.9 | 0 | 0 | 0 | 113.3 | V141 N142 I301 | L58-V141 HydrophobicContact CD1-CG1 4.41Å; L58-N142 HydrophobicContact CB-CB 3.98Å; L58-N142 HydrophobicContact CD2-CB 3.76Å; L58-N142 HydrophobicContact CG-CB 4.38Å; L58-I301 HydrophobicContact CD1-CG2 3.92Å |
| 59 | C | 35.9 | Very low | 31.8 | Very low | 84 Ų | 84 | 132.2 Ų | 132.2 | 57% | 0.568 | 72% | 0.722 | S | S | * | * | trans | 170.6 | 111.5 | 137.7 | -171.7 | 0 | 0 | 0 | 0 | 113.7 | T57 N142 | T57-C59 VanDerWaalsContact C-N 3.27Å; T57-C59 PolarHBondContact O-N 3.41Å; C59-N142 WeakPolarHBondContact CB-OD1 3.45Å | ||
| 60 | S | 30 | Very low | 31.6 | Very low | 95 Ų | 95 | 132.4 Ų | 132.4 | 66% | 0.664 | 72% | 0.722 | S | S | * | * | trans | -176.6 | 150.9 | 155.4 | -75.5 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 61 | F | 32.7 | Very low | 31.1 | Very low | 148 Ų | 148 | 131 Ų | 131 | 65% | 0.649 | 72% | 0.721 | S | S | * | * | cis | -150.3 | 165.7 | 26.7 | -105.2 | -81 | 0 | 0 | 0 | 110.5 | ||||
| 62 | F | 29.8 | Very low | 31.3 | Very low | 202 Ų | 202 | 135 Ų | 135 | 89% | 0.886 | 72% | 0.723 | S | S | * | * | 179.5 | 150.6 | 129.6 | -90.3 | -56.5 | 0 | 0 | 0 | 110.4 | |||||
| 63 | P | 32 | Very low | 31.5 | Very low | 120 Ų | 120 | 134 Ų | 134 | 78% | 0.779 | 72% | 0.724 | S | S | * | * | cis | -110 | 178.8 | -31.3 | 38.8 | -27.1 | 0 | 0 | 0 | 111.7 | ||||
| 64 | R | 30.5 | Very low | 31.3 | Very low | 214 Ų | 214 | 130.5 Ų | 130.5 | 81% | 0.808 | 72% | 0.717 | S | S | * | * | trans | -106.4 | 135 | 177 | -78.5 | -176.6 | 176 | 167.2 | -0.3 | 113 | ||||
| 65 | M | 25.2 | Very low | 31.1 | Very low | 187 Ų | 187 | 130.3 Ų | 130.3 | 92% | 0.921 | 73% | 0.729 | S | S | * | * | trans | -148.9 | 140.5 | 136.5 | -79.3 | -161.1 | -75.7 | 0 | 0 | 107 | ||||
| 66 | S | 28 | Very low | 30.7 | Very low | 93 Ų | 93 | 131.7 Ų | 131.7 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | cis | -159.2 | -175.1 | -1.9 | 52.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 67 | N | 26 | Very low | 30.3 | Very low | 144 Ų | 144 | 138.9 Ų | 138.9 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | trans | 88.1 | 158.4 | 162.9 | -62.4 | -45 | 0 | 0 | 0 | 121.1 | ||||
| 68 | L | 27.7 | Very low | 30.1 | Very low | 162 Ų | 162 | 139 Ų | 139 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | trans | -82.3 | 158.2 | -157.4 | -73.4 | 65.5 | 0 | 0 | 0 | 113.6 | ||||
| 69 | R | 27 | Very low | 29.3 | Very low | 233 Ų | 233 | 139.2 Ų | 139.2 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | trans | -68.4 | 140.3 | 157.3 | -69.4 | 172.9 | 164.5 | 165.4 | -6 | 110.1 | ||||
| 70 | L | 26.3 | Very low | 28.8 | Very low | 177 Ų | 177 | 140 Ų | 140 | 93% | 0.927 | 80% | 0.798 | S | S | * | * | -159.9 | 169.1 | 106.8 | -128.4 | 71 | 0 | 0 | 0 | 110.1 | |||||
| 71 | A | 24 | Very low | 28.5 | Very low | 90 Ų | 90 | 145.5 Ų | 145.5 | 74% | 0.744 | 81% | 0.81 | S | S | * | * | trans | -130 | 125.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 72 | N | 30.3 | Very low | 28.1 | Very low | 163 Ų | 163 | 142.4 Ų | 142.4 | 87% | 0.872 | 82% | 0.819 | S | S | * | * | trans | 60.4 | 171.5 | 152.4 | -102.8 | 2.3 | 0 | 0 | 0 | 118 | ||||
| 73 | P | 37.7 | Very low | 27.9 | Very low | 117 Ų | 117 | 141.4 Ų | 141.4 | 76% | 0.76 | 82% | 0.818 | S | S | * | * | cis | -128.7 | -176.5 | 13.4 | 41 | -23.4 | 0 | 0 | 0 | 116.7 | ||||
| 74 | A | 26.1 | Very low | 28.2 | Very low | 83 Ų | 83 | 140.9 Ų | 140.9 | 69% | 0.686 | 81% | 0.814 | S | S | * | * | trans | -65.2 | 165.7 | 159.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 75 | G | 29.5 | Very low | 28 | Very low | 80 Ų | 80 | 133.9 Ų | 133.9 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | cis | 145.2 | 139.8 | -1.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 76 | G | 26.1 | Very low | 28.1 | Very low | 84 Ų | 84 | 137.2 Ų | 137.2 | 87% | 0.866 | 81% | 0.81 | S | S | * | * | trans | -167 | 147.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 77 | R | 31.4 | Very low | 28 | Very low | 247 Ų | 247 | 137 Ų | 137 | 93% | 0.932 | 81% | 0.814 | S | S | * | * | trans | -119.7 | 160.4 | 179.3 | -113.5 | 179.2 | 176.8 | -162 | -0.6 | 107.9 | ||||
| 78 | P | 35.5 | Very low | 28.1 | Very low | 127 Ų | 127 | 134.5 Ų | 134.5 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | -157.3 | 166.9 | 64.6 | 41.1 | -20.1 | 0 | 0 | 0 | 119.5 | |||||
| 79 | G | 23.2 | Very low | 28.2 | Very low | 74 Ų | 74 | 134 Ų | 134 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | trans | 83 | 159.2 | 158.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 80 | S | 25.6 | Very low | 28.3 | Very low | 101 Ų | 101 | 130.2 Ų | 130.2 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | cis | -166.2 | 155.2 | -16.1 | 70.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 81 | K | 24.4 | Very low | 28.4 | Very low | 210 Ų | 210 | 125 Ų | 125 | 91% | 0.913 | 80% | 0.798 | S | S | * | * | trans | 65.1 | 148.7 | 166.9 | -58 | 178 | 177.7 | 179.5 | 0 | 118.2 | ||||
| 82 | G | 24.1 | Very low | 28.5 | Very low | 82 Ų | 82 | 129.9 Ų | 129.9 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | trans | 132.9 | 88.9 | 155.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 83 | E | 24.8 | Very low | 28.3 | Very low | 182 Ų | 182 | 125.4 Ų | 125.4 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | trans | -114.8 | 171.1 | 152.9 | -120.7 | -150.5 | 110.3 | 0 | 0 | 107.2 | ||||
| 84 | P | 40 | Very low | 27.9 | Very low | 109 Ų | 109 | 126.7 Ų | 126.7 | 71% | 0.708 | 80% | 0.797 | S | S | * | * | cis | -137.2 | 170.4 | -1.5 | 41.2 | -24.7 | 0 | 0 | 0 | 116.8 | ||||
| 85 | G | 25.4 | Very low | 28 | Very low | 66 Ų | 66 | 129.9 Ų | 129.9 | 68% | 0.68 | 81% | 0.807 | S | S | * | * | 104.5 | 138.3 | 123.6 | 0 | 0 | 0 | 0 | 0 | 123 | |||||
| 86 | R | 26.6 | Very low | 27.8 | Very low | 257 Ų | 257 | 129.8 Ų | 129.8 | 97% | 0.97 | 81% | 0.807 | S | S | * | * | trans | 70.2 | 150.3 | 148.2 | -63.5 | -179 | -177.2 | -166.2 | -0.5 | 117.7 | ||||
| 87 | A | 26.7 | Very low | 27.8 | Very low | 89 Ų | 89 | 131 Ų | 131 | 74% | 0.736 | 81% | 0.808 | S | S | * | * | cis | -154.3 | 146.1 | -9.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 88 | A | 27.1 | Very low | 27.6 | Very low | 91 Ų | 91 | 124 Ų | 124 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | 74.6 | 160.3 | 97.8 | 0 | 0 | 0 | 0 | 0 | 117 | |||||
| 89 | D | 29.8 | Very low | 27.3 | Very low | 152 Ų | 152 | 126.5 Ų | 126.5 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | 63.7 | 153.7 | 179 | -88.7 | -127.4 | 0 | 0 | 0 | 118.2 | ||||
| 90 | D | 28.9 | Very low | 28.5 | Very low | 153 Ų | 153 | 128.5 Ų | 128.5 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | cis | -168 | -179.9 | -49.5 | -130.3 | -76.3 | 0 | 0 | 0 | 109.8 | ||||
| 91 | G | 28.6 | Very low | 28.5 | Very low | 68 Ų | 68 | 130.7 Ų | 130.7 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | trans | 123 | 115.8 | 153.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 92 | E | 26.7 | Very low | 28.7 | Very low | 193 Ų | 193 | 125.6 Ų | 125.6 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | trans | -76.2 | 167.1 | 159.8 | -56.1 | 168.4 | 91.1 | 0 | 0 | 110.9 | ||||
| 93 | G | 26.2 | Very low | 28.7 | Very low | 68 Ų | 68 | 125 Ų | 125 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | cis | 156.5 | -172.8 | -2.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 94 | I | 29.4 | Very low | 29.5 | Very low | 145 Ų | 145 | 122.8 Ų | 122.8 | 74% | 0.744 | 80% | 0.796 | S | S | * | * | trans | 82.8 | 133.7 | 149.8 | -54.1 | 178.7 | 0 | 0 | 0 | 120.8 | ||||
| 95 | V | 27.7 | Very low | 29.1 | Very low | 149 Ų | 149 | 125.3 Ų | 125.3 | 90% | 0.903 | 80% | 0.803 | S | S | * | * | trans | 57.6 | 143.5 | 163.5 | -64.6 | 0 | 0 | 0 | 0 | 125 | ||||
| 96 | G | 25.6 | Very low | 29.9 | Very low | 79 Ų | 79 | 127.6 Ų | 127.6 | 81% | 0.814 | 81% | 0.805 | S | S | * | * | trans | 152.5 | 120.6 | 149.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 97 | A | 27.1 | Very low | 29.8 | Very low | 108 Ų | 108 | 122.6 Ų | 122.6 | 89% | 0.893 | 80% | 0.797 | S | S | * | * | trans | -143.4 | 146.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 98 | A | 25.2 | Very low | 29.7 | Very low | 101 Ų | 101 | 125 Ų | 125 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | -174.8 | 154.5 | 152 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 99 | M | 31.1 | Very low | 29.9 | Very low | 180 Ų | 180 | 128.8 Ų | 128.8 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | trans | -119.3 | -171.5 | 161.4 | -72.8 | -80.2 | -171.3 | 0 | 0 | 106.4 | ||||
| 100 | P | 46.4 | Very low | 29.8 | Very low | 116 Ų | 116 | 127.6 Ų | 127.6 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | cis | -152.6 | -174.7 | 12.2 | 48.1 | -27.5 | 0 | 0 | 0 | 119.2 | ||||
| 101 | D | 26.3 | Very low | 30 | Very low | 146 Ų | 146 | 126.9 Ų | 126.9 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | trans | 82.9 | 146.8 | 135.1 | -151.9 | 42.9 | 0 | 0 | 0 | 126.9 | ||||
| 102 | S | 28.1 | Very low | 30 | Very low | 104 Ų | 104 | 129.8 Ų | 129.8 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | 78 | 147.6 | 151.3 | -86.3 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 103 | G | 25.4 | Very low | 30.4 | Very low | 70 Ų | 70 | 129 Ų | 129 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | trans | -110 | -145.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 104 | P | 41 | Very low | 30.8 | Very low | 134 Ų | 134 | 133.9 Ų | 133.9 | 87% | 0.87 | 79% | 0.788 | S | S | * | * | cis | -141.1 | -153.8 | 16.9 | 44.3 | -22.8 | 0 | 0 | 0 | 116.5 | ||||
| 105 | L | 31.1 | Very low | 30.6 | Very low | 163 Ų | 163 | 132.6 Ų | 132.6 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | -89.1 | 176.4 | -175.3 | -46 | 169.3 | 0 | 0 | 0 | 114.1 | ||||
| 106 | P | 42.5 | Very low | 30.5 | Very low | 113 Ų | 113 | 129.4 Ų | 129.4 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | -147.7 | 161.8 | 72.5 | 34.4 | -11.7 | 0 | 0 | 0 | 116.4 | |||||
| 107 | L | 24.3 | Very low | 30.6 | Very low | 153 Ų | 153 | 129.5 Ų | 129.5 | 80% | 0.801 | 79% | 0.79 | S | S | * | * | 170.2 | -170.8 | 87.4 | -80 | 173.1 | 0 | 0 | 0 | 109 | |||||
| 108 | L | 26.1 | Very low | 30.6 | Very low | 138 Ų | 138 | 128.5 Ų | 128.5 | 72% | 0.723 | 79% | 0.79 | S | S | * | * | -170.6 | 162.7 | -64.7 | -164.7 | 64 | 0 | 0 | 0 | 110.2 | |||||
| 109 | Q | 29.8 | Very low | 31.1 | Very low | 172 Ų | 172 | 127.4 Ų | 127.4 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | 75.5 | 143.3 | 167.5 | -57.6 | -171.1 | 3.4 | 0 | 0 | 119.5 | ||||
| 110 | D | 28.5 | Very low | 31.1 | Very low | 126 Ų | 126 | 130.8 Ų | 130.8 | 67% | 0.674 | 79% | 0.792 | S | S | * | * | cis | -176.9 | 157.3 | -33.7 | -120.9 | -137.1 | 0 | 0 | 0 | 108 | ||||
| 111 | M | 32.9 | Very low | 30.5 | Very low | 138 Ų | 138 | 137.2 Ų | 137.2 | 68% | 0.68 | 80% | 0.801 | S | S | * | * | cis | -141.4 | -136.3 | -14.8 | -148.6 | -155.6 | -103.1 | 0 | 0 | 106.9 | ||||
| 112 | N | 29.4 | Very low | 30.6 | Very low | 130 Ų | 130 | 137 Ų | 137 | 70% | 0.695 | 81% | 0.805 | S | S | * | * | cis | -143.3 | -122.1 | 0.1 | -158.4 | -39 | 0 | 0 | 0 | 110.9 | ||||
| 113 | K | 34.1 | Very low | 30.6 | Very low | 176 Ų | 176 | 141.6 Ų | 141.6 | 77% | 0.765 | 81% | 0.806 | S | S | * | * | trans | -151.6 | 148.5 | -165.2 | -66.5 | 171.7 | -177.6 | 170.8 | 0 | 115.6 | ||||
| 114 | L | 33.8 | Very low | 31 | Very low | 170 Ų | 170 | 145.2 Ų | 145.2 | 89% | 0.89 | 81% | 0.814 | S | S | * | * | -177.9 | 104.8 | 128.4 | -93.4 | 177.4 | 0 | 0 | 0 | 106 | |||||
| 115 | S | 27.1 | Very low | 30.4 | Very low | 118 Ų | 118 | 145.4 Ų | 145.4 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | 101.4 | 113.9 | 53.6 | -172.9 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 116 | G | 25.3 | Very low | 30.9 | Very low | 83 Ų | 83 | 141.3 Ų | 141.3 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | trans | 103.7 | 134.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 117 | G | 27.7 | Very low | 30.2 | Very low | 80 Ų | 80 | 139.8 Ų | 139.8 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | cis | 160.7 | 118.9 | -12.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 118 | G | 27 | Very low | 30.4 | Very low | 87 Ų | 87 | 141.4 Ų | 141.4 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | trans | 80 | 117.2 | 159.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 119 | G | 35.9 | Very low | 30.8 | Very low | 78 Ų | 78 | 142.9 Ų | 142.9 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -88.5 | 158.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 120 | R | 30.2 | Very low | 30.7 | Very low | 251 Ų | 251 | 138.6 Ų | 138.6 | 95% | 0.947 | 82% | 0.819 | S | S | * | * | trans | -135.4 | 148.3 | 164.7 | -79.3 | -167.8 | 168.1 | -139.7 | -3.6 | 110.8 | ||||
| 121 | R | 35.2 | Very low | 30.9 | Very low | 252 Ų | 252 | 135.9 Ų | 135.9 | 95% | 0.951 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 130.1 | 176.8 | -64.4 | 174.6 | 173.8 | 178.3 | -4.3 | 110.1 | ||
| 122 | T | 28.4 | Very low | 30.8 | Very low | 141 Ų | 141 | 136.3 Ų | 136.3 | 87% | 0.865 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 136.7 | 167.3 | -33.5 | 0 | 0 | 0 | 0 | 109.7 | ||
| 123 | R | 26.4 | Very low | 30.9 | Very low | 200 Ų | 200 | 137.9 Ų | 137.9 | 76% | 0.755 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 138.1 | -173.4 | 161.8 | 174.3 | 159 | 143.7 | -11.2 | 111 | E125 | R123-E125 IonicContact CZ-OE2 3.61Å; R123-E125 IonicContact NE-OE2 3.91Å; R123-E125 PolarHBondContact NE-OE2 3.28Å; R123-E125 IonicContact NH2-OE2 2.66Å; R123-E125 PolarHBondContact NH2-OE2 3.43Å; R123-E125 PolarHBondContact O-N 3.14Å |
| 124 | V | 35 | Very low | 31.3 | Very low | 146 Ų | 146 | 138.5 Ų | 138.5 | 89% | 0.885 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 124.8 | 164 | 171.9 | 0 | 0 | 0 | 0 | 107.9 | ||
| 125 | E | 27.5 | Very low | 31.8 | Very low | 139 Ų | 139 | 136.1 Ų | 136.1 | 65% | 0.65 | 81% | 0.814 | S | S | * | * | trans | -136.4 | 151.3 | 168.8 | -158.3 | 150.8 | 114.8 | 0 | 0 | 108.2 | R123 G127 | R123-E125 IonicContact CZ-OE2 3.61Å; R123-E125 IonicContact NE-OE2 3.91Å; R123-E125 PolarHBondContact NE-OE2 3.28Å; R123-E125 IonicContact NH2-OE2 2.66Å; R123-E125 PolarHBondContact NH2-OE2 3.43Å; R123-E125 PolarHBondContact O-N 3.14Å; E125-G127 PolarHBondContact O-N 3.39Å; E125-G127 VanDerWaalsContact O-N 3.13Å | ||
| 126 | G | 41.2 | Very low | 32.3 | Very low | 76 Ų | 76 | 140.9 Ų | 140.9 | 78% | 0.784 | 81% | 0.814 | S | S | * | * | trans | -66.4 | 109.7 | -156.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q128 | G126-Q128 PolarHBondContact O-N 3.38Š| ||
| 127 | G | 28.4 | Very low | 33 | Very low | 81 Ų | 81 | 145 Ų | 145 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | trans | -64.8 | 117.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | E125 | E125-G127 PolarHBondContact O-N 3.39Å; E125-G127 VanDerWaalsContact O-N 3.13Å | ||
| 128 | Q | 29.1 | Very low | 33.6 | Very low | 187 Ų | 187 | 144.8 Ų | 144.8 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | trans | -71.8 | 159.2 | -172.4 | -154.3 | 152.9 | 81.4 | 0 | 0 | 112.2 | G126 G130 | G126-Q128 PolarHBondContact O-N 3.38Å; Q128-G130 PolarHBondContact O-N 3.32Å | ||
| 129 | L | 33.3 | Very low | 34.5 | Very low | 169 Ų | 169 | 142.7 Ų | 142.7 | 89% | 0.885 | 78% | 0.781 | S | S | * | * | trans | -42.2 | 120.7 | -173.8 | -64.3 | 166.8 | 0 | 0 | 0 | 113.5 | G131 | L129-G131 PolarHBondContact O-N 2.87Š| ||
| 130 | G | 29.3 | Very low | 35.1 | Very low | 83 Ų | 83 | 148.1 Ų | 148.1 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | trans | -67.6 | 83.9 | -172 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q128 | Q128-G130 PolarHBondContact O-N 3.32Š| ||
| 131 | G | 32.8 | Very low | 36.5 | Very low | 69 Ų | 69 | 137.1 Ų | 137.1 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | trans | -100 | -8.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115 | L129 | L129-G131 PolarHBondContact O-N 2.87Š| ||
| 132 | E | 29.6 | Very low | 37.5 | Very low | 147 Ų | 147 | 128.2 Ų | 128.2 | 69% | 0.687 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -102.1 | -17.5 | -165.3 | 64.4 | 176.5 | 111.8 | 0 | 0 | 116 | W134 T135 | E132-W134 PolarHBondContact O-N 2.91Å; E132-T135 WeakPolarHBondContact O-CB 3.46Å; E132-T135 PolarHBondContact O-N 2.94Å; E132-T135 VanDerWaalsContact O-N 3.12Å; E132-T135 PolarHBondContact O-OG1 3.13Å |
| 133 | E | 31.4 | Very low | 39.1 | Very low | 163 Ų | 163 | 125.9 Ų | 125.9 | 76% | 0.762 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -65 | -40 | -170 | -164.2 | 173.8 | 110.7 | 0 | 0 | 113.2 | T135 R136 | E133-T135 PolarHBondContact O-N 2.56Å; E133-R136 PolarHBondContact O-N 3.11Å; E133-R136 VanDerWaalsContact O-N 3.09Å |
| 134 | W | 42.8 | Very low | 40.8 | Very low | 188 Ų | 188 | 118 Ų | 118 | 71% | 0.712 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -60.2 | -16.8 | 176.9 | -74.1 | 15 | 0 | 0 | 0 | 113.7 | E132 R136 F312 L316 | E132-W134 PolarHBondContact O-N 2.91Å; W134-R136 VanDerWaalsContact C-N 3.3Å; W134-R136 PolarHBondContact O-N 3.48Å; W134-F312 HydrophobicContact CZ3-CE1 4.49Å; W134-F312 HydrophobicContact CZ3-CZ 4.16Å; W134-L316 HydrophobicContact CE3-CD1 4.2Å; W134-L316 HydrophobicContact CZ3-CD1 4.47Å |
| 135 | T | 43.6 | Very low | 41.6 | Very low | 120 Ų | 120 | 118.7 Ų | 118.7 | 74% | 0.736 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -77.2 | -14.4 | 178.5 | -11.6 | 0 | 0 | 0 | 0 | 113.4 | E132 E133 | E132-T135 WeakPolarHBondContact O-CB 3.46Å; E132-T135 PolarHBondContact O-N 2.94Å; E132-T135 VanDerWaalsContact O-N 3.12Å; E132-T135 PolarHBondContact O-OG1 3.13Å; E133-T135 PolarHBondContact O-N 2.56Å |
| 136 | R | 37.3 | Very low | 43.2 | Very low | 218 Ų | 218 | 123.8 Ų | 123.8 | 82% | 0.823 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | -36.6 | -179.6 | -69 | -174.2 | -178.9 | -109.5 | 3.7 | 114.1 | E133 W134 | E133-R136 PolarHBondContact O-N 3.11Å; E133-R136 VanDerWaalsContact O-N 3.09Å; W134-R136 VanDerWaalsContact C-N 3.3Å; W134-R136 PolarHBondContact O-N 3.48Å |
| 137 | H | 40.2 | Very low | 44.6 | Very low | 169 Ų | 169 | 121.7 Ų | 121.7 | 78% | 0.782 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -130.7 | 134.2 | 178.4 | -74 | -101.4 | 0 | 0 | 0 | 111.2 | ||
| 138 | G | 40 | Very low | 47.1 | Very low | 77 Ų | 77 | 120.2 Ų | 120.2 | 79% | 0.794 | 63% | 0.633 | S | S | * | * | trans | 113.8 | 77.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 139 | S | 45.9 | Very low | 49.6 | Very low | 43 Ų | 43 | 115 Ų | 115 | 30% | 0.301 | 61% | 0.611 | S | S | . | * | trans | -81.1 | 117 | 160 | -171.7 | 0 | 0 | 0 | 0 | 108.7 | V141 K143 E309 | S139-V141 WeakPolarHBondContact CB-O 3.15Å; S139-V141 PolarHBondContact O-N 3.27Å; S139-V141 PolarHBondContact OG-O 3.17Å; S139-K143 VanDerWaalsContact OG-CE 3.23Å; S139-K143 WeakPolarHBondContact OG-CE 2.89Å; S139-K143 PolarHBondContact OG-NZ 3.35Å; S139-E309 PolarHBondContact OG-OE1 3.19Å | ||
| 140 | F | 49.1 | Very low | 52 | Low | 191 Ų | 191 | 108.6 Ų | 108.6 | 84% | 0.838 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -61.4 | -25.8 | 178.1 | 173.3 | -103.8 | 0 | 0 | 0 | 113.1 | ||
| 141 | V | 59.8 | Low | 54.9 | Low | 21 Ų | 21 | 108.6 Ų | 108.6 | 13% | 0.127 | 56% | 0.561 | C | S | . | * | S | Bend | trans | -104.8 | 135.5 | 173.6 | -175.8 | 0 | 0 | 0 | 0 | 108.4 | L58 S139 K143 W148 | L58-V141 HydrophobicContact CD1-CG1 4.41Å; S139-V141 WeakPolarHBondContact CB-O 3.15Å; S139-V141 PolarHBondContact O-N 3.27Å; S139-V141 PolarHBondContact OG-O 3.17Å; V141-K143 PolarHBondContact O-N 3.4Å; V141-W148 HydrophobicContact CB-CH2 4.13Å; V141-W148 HydrophobicContact CG1-CH2 3.97Å |
| 142 | N | 55.8 | Low | 57.5 | Low | 64 Ų | 64 | 108.5 Ų | 108.5 | 34% | 0.342 | 54% | 0.544 | S | S | . | . | trans | -55.2 | 114.7 | 167.4 | -96.6 | 70.2 | 0 | 0 | 0 | 109.3 | L58 C59 | L58-N142 HydrophobicContact CB-CB 3.98Å; L58-N142 HydrophobicContact CD2-CB 3.76Å; L58-N142 HydrophobicContact CG-CB 4.38Å; C59-N142 WeakPolarHBondContact CB-OD1 3.45Å | ||
| 143 | K | 62.3 | Low | 60.4 | Low | 93 Ų | 93 | 107.4 Ų | 107.4 | 40% | 0.404 | 54% | 0.543 | S | S | . | . | trans | -69.2 | 137.9 | 170 | -78.5 | 165.2 | 179 | 156 | 0 | 108.5 | S139 V141 W148 E309 | S139-K143 VanDerWaalsContact OG-CE 3.23Å; S139-K143 WeakPolarHBondContact OG-CE 2.89Å; S139-K143 PolarHBondContact OG-NZ 3.35Å; V141-K143 PolarHBondContact O-N 3.4Å; K143-W148 HydrophobicContact CD-CZ2 4.47Å; K143-W148 HydrophobicContact CG-CD2 4.41Å; K143-W148 HydrophobicContact CG-CH2 4.08Å; K143-W148 HydrophobicContact CG-CZ2 3.7Å; K143-E309 VanDerWaalsContact CE-OE1 3.22Å; K143-E309 WeakPolarHBondContact CE-OE1 3.45Å; K143-E309 IonicContact NZ-OE1 2.71Å; K143-E309 PolarHBondContact NZ-OE1 3.21Å; K143-E309 IonicContact NZ-OE2 3.69Å | ||
| 144 | P | 62.3 | Low | 63.2 | Low | 33 Ų | 33 | 103.8 Ų | 103.8 | 21% | 0.214 | 53% | 0.525 | C | S | . | . | trans | -56.5 | 147.5 | 168.6 | -20 | 31 | 0 | 0 | 0 | 109.6 | R146 G147 W148 | P144-R146 PolarHBondContact O-N 3.47Å; P144-G147 WeakPolarHBondContact CB-O 3.19Å; P144-G147 WeakPolarHBondContact CG-O 3.42Å; P144-G147 PolarHBondContact O-N 2.97Å; P144-W148 HydrophobicContact CG-CE3 4.46Å | ||
| 145 | T | 51 | Low | 65.4 | Low | 162 Ų | 162 | 94.9 Ų | 94.9 | 99% | 0.994 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -21.1 | 178.8 | 44.3 | 0 | 0 | 0 | 0 | 113.3 | ||
| 146 | R | 61.1 | Low | 67.5 | Low | 245 Ų | 245 | 92.9 Ų | 92.9 | 93% | 0.925 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | 1.2 | 175.7 | -153.9 | 175.6 | -175.6 | -178.9 | 1.7 | 114.1 | P144 | P144-R146 PolarHBondContact O-N 3.47Š|
| 147 | G | 70.7 | Confident | 70 | Confident | 32 Ų | 32 | 84.8 Ų | 84.8 | 33% | 0.33 | 46% | 0.459 | S | S | . | . | trans | 87.4 | -172.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | P144 | P144-G147 WeakPolarHBondContact CB-O 3.19Å; P144-G147 WeakPolarHBondContact CG-O 3.42Å; P144-G147 PolarHBondContact O-N 2.97Å | ||
| 148 | W | 81.3 | Confident | 72.2 | Confident | 51 Ų | 51 | 81.9 Ų | 81.9 | 19% | 0.193 | 46% | 0.455 | C | S | . | . | trans | -74.4 | 141 | 174.7 | -68.2 | 137.8 | 0 | 0 | 0 | 111.1 | V141 K143 P144 S302 Q306 E309 | V141-W148 HydrophobicContact CB-CH2 4.13Å; V141-W148 HydrophobicContact CG1-CH2 3.97Å; K143-W148 HydrophobicContact CD-CZ2 4.47Å; K143-W148 HydrophobicContact CG-CD2 4.41Å; K143-W148 HydrophobicContact CG-CH2 4.08Å; K143-W148 HydrophobicContact CG-CZ2 3.7Å; P144-W148 HydrophobicContact CG-CE3 4.46Å; W148-S302 WeakPolarHBondContact CZ3-O 3.44Å; W148-Q306 HydrophobicContact CB-CG 4.3Å; W148-Q306 HydrophobicContact CD2-CB 3.77Å; W148-Q306 HydrophobicContact CD2-CG 3.77Å; W148-Q306 HydrophobicContact CE3-CB 3.75Å; W148-Q306 HydrophobicContact CE3-CG 4.26Å; W148-Q306 HydrophobicContact CG-CB 4.29Å; W148-Q306 HydrophobicContact CG-CG 3.79Å; W148-Q306 HydrophobicContact CH2-CB 4.26Å; W148-Q306 HydrophobicContact CZ2-CB 4.26Å; W148-Q306 HydrophobicContact CZ3-CB 4.01Å; W148-E309 HydrophobicContact CZ2-CB 4.14Å; W148-E309 PolarHBondContact NE1-OE2 3.01Å | ||
| 149 | L | 81.1 | Confident | 74.6 | Confident | 78 Ų | 78 | 78.5 Ų | 78.5 | 41% | 0.408 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -72.4 | -28.6 | -175.9 | -73 | 94.3 | 0 | 0 | 0 | 114.3 | D299 | L149-D299 HydrophobicContact CD2-CB 4.11Å; L149-D299 VanDerWaalsContact CD2-OD1 3.31Å; L149-D299 WeakPolarHBondContact CD2-OD1 3.43Å; L149-D299 WeakPolarHBondContact CD2-OD2 3.36Å |
| 150 | H | 85.6 | Confident | 76.9 | Confident | 34 Ų | 34 | 76.6 Ų | 76.6 | 16% | 0.157 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -120.5 | 148.8 | -175.7 | -60.2 | -85.2 | 0 | 0 | 0 | 111.4 | K154 V155 V160 Y162 T303 Q306 | H150-K154 PolarHBondContact ND1-NZ 3.16Å; H150-V155 HydrophobicContact CB-CG2 4.06Å; H150-V160 HydrophobicContact CB-CG2 3.99Å; H150-V160 VanDerWaalsContact CE1-CG1 3.43Å; H150-V160 WeakPolarHBondContact CE1-CG1 3.04Å; H150-Y162 PolarHBondContact NE2-OH 3.48Å; H150-T303 PolarHBondContact CD2-OG1 3.01Å; H150-Q306 PolarHBondContact O-NE2 2.71Å; H150-Q306 PolarHBondContact O-OE1 2.97Å |
| 151 | P | 88.4 | Confident | 79 | Confident | 83 Ų | 83 | 71.1 Ų | 71.1 | 54% | 0.539 | 39% | 0.392 | S | S | . | . | trans | -63.8 | 141.8 | 170.5 | 27.3 | -33.7 | 0 | 0 | 0 | 110.4 | D153 K154 | P151-D153 PolarHBondContact O-N 3.37Å; P151-K154 HydrophobicContact CG-CB 4.02Å; P151-K154 WeakPolarHBondContact O-CB 3.44Å; P151-K154 PolarHBondContact O-N 3.08Å; P151-K154 VanDerWaalsContact O-N 3.07Å | ||
| 152 | N | 89.2 | Confident | 80.6 | Confident | 66 Ų | 66 | 71 Ų | 71 | 35% | 0.353 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -57.6 | -38.2 | -172.3 | -60.5 | -43.9 | 0 | 0 | 0 | 112.4 | K154 V155 M156 Q306 L310 | N152-K154 VanDerWaalsContact C-N 3.27Å; N152-K154 PolarHBondContact O-N 2.75Å; N152-V155 CarbonylContact O-C 3.59Å; N152-V155 PolarHBondContact O-N 2.77Å; N152-V155 VanDerWaalsContact O-N 3.07Å; N152-M156 HydrophobicContact CB-SD 4.4Å; N152-M156 WeakPolarHBondContact O-CB 3.39Å; N152-M156 WeakPolarHBondContact O-CG 3.36Å; N152-M156 PolarHBondContact O-N 2.92Å; N152-Q306 PolarHBondContact OD1-NE2 2.93Å; N152-L310 HydrophobicContact CB-CD1 3.81Å; N152-L310 HydrophobicContact CB-CD2 3.9Å |
| 153 | D | 88.8 | Confident | 82.4 | Confident | 124 Ų | 124 | 73.1 Ų | 73.1 | 66% | 0.663 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -61.2 | -33.5 | -179.6 | -50.3 | -93.9 | 0 | 0 | 0 | 112.5 | P151 M156 G157 | P151-D153 PolarHBondContact O-N 3.37Å; D153-M156 PolarHBondContact O-N 2.79Å; D153-G157 PolarHBondContact O-N 3.2Å |
| 154 | K | 90.5 | Very high | 83.9 | Confident | 88 Ų | 88 | 68.9 Ų | 68.9 | 38% | 0.383 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -69.2 | -39.9 | 174.6 | -174.1 | -177.3 | 175.7 | -165.6 | 0 | 111.2 | H150 P151 N152 G159 V160 | H150-K154 PolarHBondContact ND1-NZ 3.16Å; P151-K154 HydrophobicContact CG-CB 4.02Å; P151-K154 WeakPolarHBondContact O-CB 3.44Å; P151-K154 PolarHBondContact O-N 3.08Å; P151-K154 VanDerWaalsContact O-N 3.07Å; N152-K154 VanDerWaalsContact C-N 3.27Å; N152-K154 PolarHBondContact O-N 2.75Å; K154-G159 CarbonylContact O-C 3.47Å; K154-G159 WeakPolarHBondContact O-CA 3.37Å; K154-G159 PolarHBondContact O-N 3.15Å; K154-V160 HydrophobicContact CD-CG2 4.15Å; K154-V160 HydrophobicContact CG-CG2 4.2Å |
| 155 | V | 89.4 | Confident | 85.4 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -73.4 | -31.5 | 177.2 | -172.6 | 0 | 0 | 0 | 0 | 111.7 | H150 N152 V160 S237 T238 T303 A307 L310 | H150-V155 HydrophobicContact CB-CG2 4.06Å; N152-V155 CarbonylContact O-C 3.59Å; N152-V155 PolarHBondContact O-N 2.77Å; N152-V155 VanDerWaalsContact O-N 3.07Å; V155-V160 HydrophobicContact CG2-CG2 4.03Å; V155-S237 CarbonylContact O-C 3.53Å; V155-S237 WeakPolarHBondContact O-CA 3.33Å; V155-T238 HydrophobicContact CG1-CG2 4.3Å; V155-T238 PolarHBondContact O-N 2.89Å; V155-T303 HydrophobicContact CG2-CG2 4.42Å; V155-A307 HydrophobicContact CG1-CB 3.67Å; V155-L310 HydrophobicContact CB-CD1 4.02Å; V155-L310 HydrophobicContact CG1-CD1 4.19Å |
| 156 | M | 88.4 | Confident | 87.4 | Confident | 79 Ų | 79 | 65 Ų | 65 | 39% | 0.389 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -81.9 | -28.4 | 178.3 | -75.3 | 169 | 53 | 0 | 0 | 114.1 | N152 D153 T238 L310 | N152-M156 HydrophobicContact CB-SD 4.4Å; N152-M156 WeakPolarHBondContact O-CB 3.39Å; N152-M156 WeakPolarHBondContact O-CG 3.36Å; N152-M156 PolarHBondContact O-N 2.92Å; D153-M156 PolarHBondContact O-N 2.79Å; M156-T238 HydrophobicContact CB-CG2 4.47Å; M156-T238 HydrophobicContact CG-CG2 3.69Å; M156-L310 HydrophobicContact CG-CD1 4.22Å; M156-L310 HydrophobicContact SD-CD1 4.43Å; M156-L310 HydrophobicContact SD-CD2 4.3Å |
| 157 | G | 88.4 | Confident | 88.9 | Confident | 48 Ų | 48 | 53.4 Ų | 53.4 | 50% | 0.495 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | -108.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | D153 G159 | D153-G157 PolarHBondContact O-N 3.2Å; G157-G159 PolarHBondContact O-N 3.22Å |
| 158 | P | 87.1 | Confident | 89.9 | Confident | 108 Ų | 108 | 51.9 Ų | 51.9 | 70% | 0.701 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -15.5 | -173.8 | 30.7 | -37.1 | 0 | 0 | 0 | 114.2 | T235 | P158-T235 WeakPolarHBondContact O-CG2 3.14Š|
| 159 | G | 91 | Very high | 90.4 | Very high | 6 Ų | 6 | 49.5 Ų | 49.5 | 6% | 0.062 | 28% | 0.277 | C | S | . | . | trans | 83.4 | 179.8 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | K154 G157 V236 | K154-G159 CarbonylContact O-C 3.47Å; K154-G159 WeakPolarHBondContact O-CA 3.37Å; K154-G159 PolarHBondContact O-N 3.15Å; G157-G159 PolarHBondContact O-N 3.22Å; G159-V236 CarbonylContact C-O 3.57Å; G159-V236 WeakPolarHBondContact CA-O 3.4Å | ||
| 160 | V | 93.8 | Very high | 91 | Very high | 3 Ų | 3 | 45.9 Ų | 45.9 | 2% | 0.018 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 122.7 | 175.4 | -176.7 | 0 | 0 | 0 | 0 | 108.9 | H150 K154 V155 Y162 T235 V236 T303 | H150-V160 HydrophobicContact CB-CG2 3.99Å; H150-V160 VanDerWaalsContact CE1-CG1 3.43Å; H150-V160 WeakPolarHBondContact CE1-CG1 3.04Å; K154-V160 HydrophobicContact CD-CG2 4.15Å; K154-V160 HydrophobicContact CG-CG2 4.2Å; V155-V160 HydrophobicContact CG2-CG2 4.03Å; V160-Y162 HydrophobicContact CB-CE2 4.09Å; V160-Y162 HydrophobicContact CG1-CD2 4.06Å; V160-Y162 HydrophobicContact CG1-CE2 3.4Å; V160-Y162 VanDerWaalsContact CG1-CE2 3.4Å; V160-T235 WeakPolarHBondContact O-CA 3.42Å; V160-V236 PolarHBondContact N-O 3.25Å; V160-V236 PolarHBondContact O-N 3.45Å; V160-T303 HydrophobicContact CB-CG2 4.03Å; V160-T303 HydrophobicContact CG2-CG2 3.91Å |
| 161 | S | 93.6 | Very high | 91.3 | Very high | 75 Ų | 75 | 47.6 Ų | 47.6 | 52% | 0.524 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 134.8 | -179.4 | -54.5 | 0 | 0 | 0 | 0 | 112.1 | L234 T235 | S161-L234 CarbonylContact C-O 3.57Å; S161-L234 VanDerWaalsContact CA-O 3.32Å; S161-L234 WeakPolarHBondContact CA-O 3.45Å; S161-T235 PolarHBondContact OG-OG1 3.21Å |
| 162 | Y | 94 | Very high | 91.6 | Very high | 19 Ų | 19 | 43.8 Ų | 43.8 | 8% | 0.075 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 139.2 | 177.8 | -69.5 | -90.4 | 0 | 0 | 0 | 110.1 | H150 V160 T233 L234 V236 L296 D299 V300 T303 | H150-Y162 PolarHBondContact NE2-OH 3.48Å; V160-Y162 HydrophobicContact CB-CE2 4.09Å; V160-Y162 HydrophobicContact CG1-CD2 4.06Å; V160-Y162 HydrophobicContact CG1-CE2 3.4Å; V160-Y162 VanDerWaalsContact CG1-CE2 3.4Å; Y162-T233 CarbonylContact O-C 3.46Å; Y162-T233 WeakPolarHBondContact O-CA 3.49Å; Y162-L234 PolarHBondContact N-O 3.36Å; Y162-L234 PolarHBondContact O-N 3.42Å; Y162-V236 HydrophobicContact CD2-CG2 4.32Å; Y162-V236 HydrophobicContact CE2-CG2 4.43Å; Y162-L296 HydrophobicContact CD1-CD2 4.36Å; Y162-L296 HydrophobicContact CE1-CD2 4.35Å; Y162-D299 HydrophobicContact CE1-CB 3.94Å; Y162-D299 PolarHBondContact OH-O 2.57Å; Y162-V300 HydrophobicContact CD1-CG2 3.66Å; Y162-V300 HydrophobicContact CD2-CG2 3.83Å; Y162-V300 HydrophobicContact CE1-CG2 3.94Å; Y162-V300 HydrophobicContact CE2-CG2 4.1Å; Y162-V300 HydrophobicContact CG-CG2 3.59Å; Y162-T303 HydrophobicContact CE2-CG2 4.43Å; Y162-T303 PolarHBondContact OH-OG1 3.03Å |
| 163 | L | 93.1 | Very high | 91.6 | Very high | 109 Ų | 109 | 45.7 Ų | 45.7 | 57% | 0.571 | 25% | 0.25 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 114.1 | 170.8 | -173.6 | 67 | 0 | 0 | 0 | 109.1 | A246 | L163-A246 HydrophobicContact CD1-CB 3.93Å |
| 164 | V | 93.8 | Very high | 91.6 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.024 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 163.7 | -175 | -57.1 | 0 | 0 | 0 | 0 | 109.7 | I232 L234 L290 C292 | V164-I232 HydrophobicContact CG2-CD1 4.04Å; V164-I232 HydrophobicContact CG2-CG1 3.65Å; V164-I232 PolarHBondContact N-O 3.18Å; V164-I232 WeakPolarHBondContact O-CG1 3.16Å; V164-I232 PolarHBondContact O-N 3.49Å; V164-L234 HydrophobicContact CG2-CB 3.84Å; V164-L290 HydrophobicContact CG2-CB 4.49Å; V164-L290 HydrophobicContact CG2-CD1 4.33Å; V164-L290 HydrophobicContact CG2-CD2 4.26Å; V164-C292 HydrophobicContact CG1-CB 4.32Å; V164-C292 VanDerWaalsContact CG1-SG 3.54Å |
| 165 | R | 92.9 | Very high | 91.5 | Very high | 104 Ų | 104 | 41.5 Ų | 41.5 | 39% | 0.392 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 130.1 | 174.2 | -171.3 | -169.1 | -53.3 | -79.2 | -0.3 | 110.5 | M167 G229 M230 L290 E291 | R165-M167 HydrophobicContact CG-SD 4.25Å; R165-M167 PolarHBondContact O-N 3.43Å; R165-G229 VanDerWaalsContact CD-O 3.32Å; R165-G229 WeakPolarHBondContact CD-O 3.36Å; R165-G229 VanDerWaalsContact CG-C 3.47Å; R165-G229 VanDerWaalsContact CG-O 3.25Å; R165-G229 WeakPolarHBondContact CG-O 3.25Å; R165-G229 PolarHBondContact NH1-O 3.06Å; R165-M230 WeakPolarHBondContact CA-O 3.37Å; R165-M230 WeakPolarHBondContact CG-O 3.44Å; R165-L290 CarbonylContact O-C 3.54Å; R165-L290 WeakPolarHBondContact O-CA 3.28Å; R165-E291 HydrophobicContact CB-CB 4.18Å; R165-E291 VanDerWaalsContact CD-OE2 3.29Å; R165-E291 WeakPolarHBondContact CD-OE2 3.3Å; R165-E291 IonicContact CZ-OE2 3.76Å; R165-E291 PolarHBondContact N-O 2.84Å; R165-E291 IonicContact NE-OE2 2.74Å; R165-E291 PolarHBondContact NE-OE2 2.76Å; R165-E291 IonicContact NH2-OE2 3.72Å; R165-E291 PolarHBondContact O-N 2.83Å |
| 166 | Y | 93.5 | Very high | 91.5 | Very high | 9 Ų | 9 | 41.6 Ų | 41.6 | 4% | 0.035 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 119.7 | 173.5 | -171.3 | -109.2 | 0 | 0 | 0 | 109.9 | F227 A228 G229 M230 I232 L243 H288 L290 | Y166-F227 HydrophobicContact CD1-CB 4.02Å; Y166-F227 HydrophobicContact CE1-CB 4.32Å; Y166-A228 CarbonylContact O-C 3.53Å; Y166-A228 WeakPolarHBondContact O-CA 3.45Å; Y166-G229 PolarHBondContact O-N 2.57Å; Y166-M230 PolarHBondContact N-O 2.59Å; Y166-I232 HydrophobicContact CD2-CD1 4.33Å; Y166-L243 HydrophobicContact CD2-CD2 3.64Å; Y166-L243 HydrophobicContact CE2-CD2 3.62Å; Y166-H288 HydrophobicContact CE2-CB 4.28Å; Y166-H288 AromaticContact CZ-ND1 3.93Å; Y166-H288 PolarHBondContact OH-ND1 2.79Å; Y166-L290 HydrophobicContact CD2-CD2 3.73Å; Y166-L290 HydrophobicContact CE2-CD2 4.48Å |
| 167 | M | 92.2 | Very high | 91.4 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | -5.7 | -178.9 | -61.5 | -55.5 | -62.5 | 0 | 0 | 113.2 | R165 V195 V199 A202 A228 Y273 I289 E291 | R165-M167 HydrophobicContact CG-SD 4.25Å; R165-M167 PolarHBondContact O-N 3.43Å; M167-V195 HydrophobicContact CB-CB 4.46Å; M167-V195 HydrophobicContact CB-CG2 3.88Å; M167-V199 HydrophobicContact CE-CB 3.88Å; M167-V199 HydrophobicContact CE-CG1 3.74Å; M167-V199 HydrophobicContact CE-CG2 4.26Å; M167-A202 HydrophobicContact CE-CB 3.57Å; M167-A228 VanDerWaalsContact O-CB 3.31Å; M167-A228 WeakPolarHBondContact O-CB 3.21Å; M167-Y273 HydrophobicContact CE-CE1 4.49Å; M167-Y273 HydrophobicContact CG-CD1 4.38Å; M167-Y273 HydrophobicContact CG-CE1 4.15Å; M167-I289 HydrophobicContact CB-CB 4.24Å; M167-I289 HydrophobicContact CB-CG2 3.97Å; M167-I289 WeakPolarHBondContact CB-O 3.49Å; M167-I289 HydrophobicContact CG-CG2 4.27Å; M167-I289 PolarHBondContact N-O 2.66Å; M167-E291 HydrophobicContact CG-CB 4.02Å; M167-E291 HydrophobicContact SD-CB 3.91Å |
| 168 | G | 92.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 108.4 | -167.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | N224 I289 | G168-N224 WeakPolarHBondContact CA-O 3.37Å; G168-I289 PolarHBondContact O-N 2.74Å; G168-I289 VanDerWaalsContact O-N 3.09Å |
| 169 | C | 92.3 | Very high | 91.4 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.014 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 158.2 | 171.3 | 59.7 | 0 | 0 | 0 | 0 | 112.4 | S223 N224 A286 C287 H288 | C169-S223 CarbonylContact O-C 3.57Å; C169-S223 WeakPolarHBondContact O-CA 3.19Å; C169-N224 PolarHBondContact N-O 3.49Å; C169-N224 VanDerWaalsContact N-O 3.07Å; C169-N224 PolarHBondContact O-N 2.85Å; C169-A286 HydrophobicContact CB-CB 4.15Å; C169-C287 CarbonylContact C-O 3.56Å; C169-C287 WeakPolarHBondContact CA-O 3.46Å; C169-C287 WeakPolarHBondContact CB-O 3.22Å; C169-H288 HydrophobicContact CB-CB 4.33Å; C169-H288 WeakPolarHBondContact CB-ND1 3.45Å |
| 170 | V | 93.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 127.4 | 174.2 | -170.9 | 0 | 0 | 0 | 0 | 108.3 | A191 V195 L220 A286 C287 I289 | V170-A191 HydrophobicContact CB-CB 4.22Å; V170-A191 HydrophobicContact CG2-CB 4.08Å; V170-V195 HydrophobicContact CG2-CG1 3.78Å; V170-L220 HydrophobicContact CB-CD2 4.5Å; V170-L220 HydrophobicContact CG1-CB 4.26Å; V170-L220 HydrophobicContact CG1-CD2 3.98Å; V170-A286 CarbonylContact O-C 3.49Å; V170-A286 WeakPolarHBondContact O-CA 3.32Å; V170-C287 PolarHBondContact N-O 3.15Å; V170-C287 PolarHBondContact O-N 3.01Å; V170-I289 HydrophobicContact CG2-CD1 4.23Å |
| 171 | E | 92.4 | Very high | 90.9 | Very high | 70 Ų | 70 | 53 Ų | 53 | 33% | 0.327 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 139.1 | 174.4 | 179.5 | 178.6 | -141.5 | 0 | 0 | 110.9 | L173 G221 R222 | E171-L173 HydrophobicContact CG-CD2 3.93Å; E171-G221 PolarHBondContact O-N 2.97Å; E171-R222 WeakPolarHBondContact CB-O 3.48Å; E171-R222 PolarHBondContact N-O 2.82Å; E171-R222 PolarHBondContact OE2-N 3.47Å |
| 172 | V | 93.1 | Very high | 90.7 | Very high | 3 Ų | 3 | 54.3 Ų | 54.3 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 110.8 | 176.6 | -170.2 | 0 | 0 | 0 | 0 | 108.5 | M176 I219 L220 V277 R285 C287 | V172-M176 HydrophobicContact CG1-SD 4.34Å; V172-I219 CarbonylContact C-O 3.57Å; V172-I219 WeakPolarHBondContact CA-O 3.45Å; V172-I219 HydrophobicContact CG1-CG2 4.04Å; V172-L220 HydrophobicContact CG2-CD2 4.16Å; V172-V277 HydrophobicContact CG2-CG1 4.28Å; V172-R285 HydrophobicContact CB-CG 4.12Å; V172-R285 PolarHBondContact N-O 3.33Å; V172-R285 WeakPolarHBondContact O-CB 3.38Å; V172-R285 VanDerWaalsContact O-CD 3.24Å; V172-R285 WeakPolarHBondContact O-CD 3.4Å; V172-R285 WeakPolarHBondContact O-CG 3.35Å; V172-C287 HydrophobicContact CG2-CB 3.79Å |
| 173 | L | 90.9 | Very high | 90.5 | Very high | 106 Ų | 106 | 54.9 Ų | 54.9 | 56% | 0.555 | 28% | 0.275 | S | S | * | . | trans | -75.2 | -31.6 | -172.3 | -57 | 176.2 | 0 | 0 | 0 | 112.1 | E171 I219 | E171-L173 HydrophobicContact CG-CD2 3.93Å; L173-I219 PolarHBondContact N-O 2.92Å | ||
| 174 | Q | 87.9 | Confident | 90.4 | Very high | 77 Ų | 77 | 52.8 Ų | 52.8 | 36% | 0.36 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -99.5 | 151.3 | -178.2 | -163.2 | 166.6 | -4.6 | 0 | 0 | 112.5 | M176 L179 I219 R285 | Q174-M176 PolarHBondContact O-N 3.35Å; Q174-L179 HydrophobicContact CG-CD2 4.28Å; Q174-L179 HydrophobicContact CG-CG 4.46Å; Q174-I219 HydrophobicContact CB-CG2 4.27Å; Q174-R285 VanDerWaalsContact O-CD 3.29Å; Q174-R285 WeakPolarHBondContact O-CD 3.48Å |
| 175 | S | 88.9 | Confident | 90.2 | Very high | 47 Ų | 47 | 54.8 Ų | 54.8 | 33% | 0.329 | 27% | 0.272 | S | S | . | . | trans | -72.1 | 121.1 | 175 | -175.3 | 0 | 0 | 0 | 0 | 111 | R177 A178 | S175-R177 PolarHBondContact O-N 3.5Å; S175-A178 WeakPolarHBondContact O-CB 3.44Å; S175-A178 PolarHBondContact O-N 2.79Å | ||
| 176 | M | 88.4 | Confident | 90 | Very high | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -26.8 | 175.8 | -65.3 | -62 | -83.8 | 0 | 0 | 113.2 | V172 Q174 A178 L179 R184 V187 F262 V277 | V172-M176 HydrophobicContact CG1-SD 4.34Å; Q174-M176 PolarHBondContact O-N 3.35Å; M176-A178 VanDerWaalsContact C-N 3.31Å; M176-A178 PolarHBondContact O-N 3.07Å; M176-L179 PolarHBondContact O-N 3.27Å; M176-L179 HydrophobicContact SD-CD1 4.1Å; M176-R184 HydrophobicContact CE-CB 3.71Å; M176-R184 HydrophobicContact CE-CG 3.74Å; M176-R184 PolarHBondContact O-NE 2.79Å; M176-R184 PolarHBondContact O-NH2 3.02Å; M176-R184 HydrophobicContact SD-CG 4.44Å; M176-V187 HydrophobicContact SD-CG1 4.37Å; M176-F262 HydrophobicContact CB-CB 4.27Å; M176-F262 HydrophobicContact CE-CB 3.77Å; M176-F262 HydrophobicContact CE-CD1 3.39Å; M176-F262 HydrophobicContact CE-CE1 4.1Å; M176-F262 HydrophobicContact CE-CG 3.68Å; M176-F262 HydrophobicContact CG-CB 4.23Å; M176-V277 HydrophobicContact CE-CG2 3.89Å; M176-V277 HydrophobicContact CG-CB 3.99Å; M176-V277 HydrophobicContact CG-CG1 3.79Å; M176-V277 HydrophobicContact CG-CG2 4.02Å; M176-V277 HydrophobicContact SD-CG2 4.16Å |
| 177 | R | 86.3 | Confident | 89.9 | Confident | 184 Ų | 184 | 52.8 Ų | 52.8 | 69% | 0.694 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -26 | 177.2 | -62.8 | -173.2 | -174.9 | -81.5 | -2.9 | 113.5 | S175 | S175-R177 PolarHBondContact O-N 3.5Š|
| 178 | A | 86.8 | Confident | 89.9 | Confident | 75 Ų | 75 | 52.9 Ų | 52.9 | 62% | 0.62 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -24 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S175 M176 | S175-A178 WeakPolarHBondContact O-CB 3.44Å; S175-A178 PolarHBondContact O-N 2.79Å; M176-A178 VanDerWaalsContact C-N 3.31Å; M176-A178 PolarHBondContact O-N 3.07Å |
| 179 | L | 88.3 | Confident | 89.7 | Confident | 14 Ų | 14 | 58.5 Ų | 58.5 | 7% | 0.073 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -77.5 | 150.2 | 174.7 | -60.4 | 175.9 | 0 | 0 | 0 | 110.9 | Q174 M176 T183 R184 V187 I219 | Q174-L179 HydrophobicContact CG-CD2 4.28Å; Q174-L179 HydrophobicContact CG-CG 4.46Å; M176-L179 PolarHBondContact O-N 3.27Å; M176-L179 HydrophobicContact SD-CD1 4.1Å; L179-T183 HydrophobicContact CD1-CG2 4.37Å; L179-T183 HydrophobicContact CD2-CG2 4.06Å; L179-R184 HydrophobicContact CB-CG 4.01Å; L179-R184 PolarHBondContact O-NE 3.5Å; L179-R184 PolarHBondContact O-NH2 2.95Å; L179-V187 HydrophobicContact CD1-CG2 4.32Å; L179-I219 HydrophobicContact CD1-CD1 4.28Å; L179-I219 HydrophobicContact CD1-CG2 3.92Å; L179-I219 HydrophobicContact CD2-CD1 3.94Å |
| 180 | D | 89.4 | Confident | 89.6 | Confident | 73 Ų | 73 | 60 Ų | 60 | 39% | 0.39 | 30% | 0.295 | S | S | . | . | trans | -74.6 | 167.8 | 170 | 70.7 | -80.1 | 0 | 0 | 0 | 112 | N182 T183 R184 | D180-N182 PolarHBondContact O-N 3.04Å; D180-N182 WeakPolarHBondContact OD2-CA 3.33Å; D180-N182 VanDerWaalsContact OD2-CB 3.27Å; D180-N182 WeakPolarHBondContact OD2-CB 3.35Å; D180-N182 PolarHBondContact OD2-N 3.5Å; D180-T183 PolarHBondContact O-N 2.8Å; D180-T183 WeakPolarHBondContact OD1-CB 3.28Å; D180-T183 PolarHBondContact OD1-OG1 3.07Å; D180-T183 PolarHBondContact OD2-N 2.81Å; D180-R184 WeakPolarHBondContact O-CG 3.37Å; D180-R184 PolarHBondContact O-N 3.04Å | ||
| 181 | F | 86.4 | Confident | 89.5 | Confident | 139 Ų | 139 | 60 Ų | 60 | 61% | 0.61 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -65.2 | -34.6 | -175.8 | -179.1 | -97.3 | 0 | 0 | 0 | 114.3 | T185 F262 | F181-T185 PolarHBondContact O-N 2.81Å; F181-T185 VanDerWaalsContact O-N 3.17Å; F181-T185 PolarHBondContact O-OG1 2.86Å; F181-F262 HydrophobicContact CD2-CE2 4.38Å; F181-F262 HydrophobicContact CE2-CE2 4.28Å; F181-F262 HydrophobicContact CE2-CZ 4.43Å |
| 182 | N | 89.3 | Confident | 89.4 | Confident | 101 Ų | 101 | 56.7 Ų | 56.7 | 54% | 0.54 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -69.5 | -48.9 | 178.4 | -173.6 | 3.4 | 0 | 0 | 0 | 109.6 | D180 R184 T185 Q186 | D180-N182 PolarHBondContact O-N 3.04Å; D180-N182 WeakPolarHBondContact OD2-CA 3.33Å; D180-N182 VanDerWaalsContact OD2-CB 3.27Å; D180-N182 WeakPolarHBondContact OD2-CB 3.35Å; D180-N182 PolarHBondContact OD2-N 3.5Å; N182-R184 PolarHBondContact O-N 3.04Å; N182-T185 PolarHBondContact O-N 2.63Å; N182-T185 VanDerWaalsContact O-N 3.09Å; N182-Q186 WeakPolarHBondContact O-CG 3.3Å; N182-Q186 PolarHBondContact O-N 3.4Å; N182-Q186 PolarHBondContact OD1-NE2 3.06Å |
| 183 | T | 90.3 | Very high | 89.2 | Confident | 32 Ų | 32 | 59.4 Ų | 59.4 | 20% | 0.196 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.9 | -40.5 | 175.4 | -56.8 | 0 | 0 | 0 | 0 | 112.1 | L179 D180 T185 Q186 V187 I219 | L179-T183 HydrophobicContact CD1-CG2 4.37Å; L179-T183 HydrophobicContact CD2-CG2 4.06Å; D180-T183 PolarHBondContact O-N 2.8Å; D180-T183 WeakPolarHBondContact OD1-CB 3.28Å; D180-T183 PolarHBondContact OD1-OG1 3.07Å; D180-T183 PolarHBondContact OD2-N 2.81Å; T183-T185 VanDerWaalsContact C-N 3.27Å; T183-T185 PolarHBondContact O-N 3.28Å; T183-Q186 PolarHBondContact O-N 3.31Å; T183-V187 HydrophobicContact CG2-CG2 4.17Å; T183-V187 WeakPolarHBondContact O-CB 3.2Å; T183-V187 WeakPolarHBondContact O-CG2 3.45Å; T183-V187 PolarHBondContact O-N 2.86Å; T183-I219 HydrophobicContact CG2-CD1 3.94Å |
| 184 | R | 90.3 | Very high | 89.1 | Confident | 65 Ų | 65 | 56.8 Ų | 56.8 | 25% | 0.245 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -55.9 | -42 | 173.4 | -71.1 | 169.7 | -154.6 | 179.4 | 0.8 | 112.5 | M176 L179 D180 N182 V187 T188 F262 | M176-R184 HydrophobicContact CE-CB 3.71Å; M176-R184 HydrophobicContact CE-CG 3.74Å; M176-R184 PolarHBondContact O-NE 2.79Å; M176-R184 PolarHBondContact O-NH2 3.02Å; M176-R184 HydrophobicContact SD-CG 4.44Å; L179-R184 HydrophobicContact CB-CG 4.01Å; L179-R184 PolarHBondContact O-NE 3.5Å; L179-R184 PolarHBondContact O-NH2 2.95Å; D180-R184 WeakPolarHBondContact O-CG 3.37Å; D180-R184 PolarHBondContact O-N 3.04Å; N182-R184 PolarHBondContact O-N 3.04Å; R184-V187 PolarHBondContact O-N 3.32Å; R184-T188 PolarHBondContact O-N 3.1Å; R184-T188 VanDerWaalsContact O-N 3.09Å; R184-T188 PolarHBondContact O-OG1 2.82Å; R184-F262 HydrophobicContact CB-CD1 4.35Å; R184-F262 HydrophobicContact CB-CD2 4.42Å; R184-F262 HydrophobicContact CB-CE1 3.92Å; R184-F262 HydrophobicContact CB-CE2 4.01Å; R184-F262 HydrophobicContact CB-CZ 3.74Å |
| 185 | T | 89.4 | Confident | 89.1 | Confident | 46 Ų | 46 | 53.1 Ų | 53.1 | 28% | 0.282 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -73.5 | -33.5 | -179.7 | -52.3 | 0 | 0 | 0 | 0 | 111.9 | F181 N182 T183 T188 R189 | F181-T185 PolarHBondContact O-N 2.81Å; F181-T185 VanDerWaalsContact O-N 3.17Å; F181-T185 PolarHBondContact O-OG1 2.86Å; N182-T185 PolarHBondContact O-N 2.63Å; N182-T185 VanDerWaalsContact O-N 3.09Å; T183-T185 VanDerWaalsContact C-N 3.27Å; T183-T185 PolarHBondContact O-N 3.28Å; T185-T188 PolarHBondContact O-OG1 3.41Å; T185-R189 VanDerWaalsContact O-CB 3.29Å; T185-R189 WeakPolarHBondContact O-CB 3.4Å; T185-R189 PolarHBondContact O-N 2.87Å; T185-R189 VanDerWaalsContact O-N 3.1Å |
| 186 | Q | 88.9 | Confident | 89 | Confident | 71 Ų | 71 | 51.1 Ų | 51.1 | 33% | 0.332 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -68.5 | -39.7 | 171.1 | -68.5 | 176.9 | 45.3 | 0 | 0 | 111.8 | N182 T183 R189 E190 L216 | N182-Q186 WeakPolarHBondContact O-CG 3.3Å; N182-Q186 PolarHBondContact O-N 3.4Å; N182-Q186 PolarHBondContact OD1-NE2 3.06Å; T183-Q186 PolarHBondContact O-N 3.31Å; Q186-R189 PolarHBondContact O-N 3.49Å; Q186-E190 VanDerWaalsContact O-CB 3.3Å; Q186-E190 WeakPolarHBondContact O-CB 3.23Å; Q186-E190 PolarHBondContact O-N 2.84Å; Q186-L216 HydrophobicContact CB-CD1 4.26Å |
| 187 | V | 91.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 176.8 | 168.1 | 0 | 0 | 0 | 0 | 111.7 | M176 L179 T183 R184 A191 L216 I219 L220 | M176-V187 HydrophobicContact SD-CG1 4.37Å; L179-V187 HydrophobicContact CD1-CG2 4.32Å; T183-V187 HydrophobicContact CG2-CG2 4.17Å; T183-V187 WeakPolarHBondContact O-CB 3.2Å; T183-V187 WeakPolarHBondContact O-CG2 3.45Å; T183-V187 PolarHBondContact O-N 2.86Å; R184-V187 PolarHBondContact O-N 3.32Å; V187-A191 VanDerWaalsContact O-CB 3.29Å; V187-A191 WeakPolarHBondContact O-CB 3.16Å; V187-A191 PolarHBondContact O-N 2.95Å; V187-L216 HydrophobicContact CG2-CD2 3.96Å; V187-I219 HydrophobicContact CG1-CG2 4.12Å; V187-I219 HydrophobicContact CG2-CB 4.34Å; V187-I219 HydrophobicContact CG2-CD1 4.13Å; V187-I219 HydrophobicContact CG2-CG2 3.72Å; V187-L220 HydrophobicContact CG1-CD2 3.81Å; V187-L220 HydrophobicContact CG1-CG 4.25Å |
| 188 | T | 91.3 | Very high | 88.9 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.012 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -69.2 | -42.1 | 175.4 | 49.8 | 0 | 0 | 0 | 0 | 112.4 | R184 T185 A191 I192 F262 S264 A275 | R184-T188 PolarHBondContact O-N 3.1Å; R184-T188 VanDerWaalsContact O-N 3.09Å; R184-T188 PolarHBondContact O-OG1 2.82Å; T185-T188 PolarHBondContact O-OG1 3.41Å; T188-A191 PolarHBondContact O-N 2.82Å; T188-I192 VanDerWaalsContact O-CG1 3.3Å; T188-I192 WeakPolarHBondContact O-CG1 3.23Å; T188-I192 PolarHBondContact O-N 2.83Å; T188-F262 HydrophobicContact CG2-CD1 3.84Å; T188-F262 HydrophobicContact CG2-CE1 3.82Å; T188-S264 WeakPolarHBondContact CB-OG 3.13Å; T188-S264 PolarHBondContact OG1-OG 2.81Å; T188-A275 HydrophobicContact CG2-CB 4.01Å |
| 189 | R | 88.8 | Confident | 88.8 | Confident | 118 Ų | 118 | 49 Ų | 49 | 45% | 0.445 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -56.7 | -48.7 | 173.1 | 168.3 | -175.7 | -99.9 | 156.7 | -11.6 | 112.6 | T185 Q186 I192 S193 D267 | T185-R189 VanDerWaalsContact O-CB 3.29Å; T185-R189 WeakPolarHBondContact O-CB 3.4Å; T185-R189 PolarHBondContact O-N 2.87Å; T185-R189 VanDerWaalsContact O-N 3.1Å; Q186-R189 PolarHBondContact O-N 3.49Å; R189-I192 PolarHBondContact O-N 2.99Å; R189-S193 PolarHBondContact O-N 2.8Å; R189-D267 IonicContact CZ-OD1 3.16Å; R189-D267 IonicContact NE-OD1 3.83Å; R189-D267 PolarHBondContact NE-OD1 2.83Å; R189-D267 IonicContact NH2-OD1 3.52Å; R189-D267 PolarHBondContact NH2-OD1 3Å |
| 190 | E | 89.3 | Confident | 88.2 | Confident | 34 Ų | 34 | 54.3 Ų | 54.3 | 16% | 0.159 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.4 | -40.1 | 180 | -168.7 | 79 | -167.3 | 0 | 0 | 110.7 | Q186 S193 L194 C212 L216 L220 | Q186-E190 VanDerWaalsContact O-CB 3.3Å; Q186-E190 WeakPolarHBondContact O-CB 3.23Å; Q186-E190 PolarHBondContact O-N 2.84Å; E190-S193 PolarHBondContact O-N 2.83Å; E190-L194 HydrophobicContact CG-CD1 4.43Å; E190-L194 WeakPolarHBondContact O-CB 3.42Å; E190-L194 WeakPolarHBondContact O-CG 3.43Å; E190-L194 PolarHBondContact O-N 3.45Å; E190-C212 WeakPolarHBondContact OE1-CA 3.41Å; E190-C212 WeakPolarHBondContact OE1-CB 3.35Å; E190-C212 PolarHBondContact OE1-SG 3.18Å; E190-L216 HydrophobicContact CB-CD1 3.72Å; E190-L216 HydrophobicContact CG-CB 4.4Å; E190-L216 HydrophobicContact CG-CD1 3.86Å; E190-L220 HydrophobicContact CB-CD1 3.83Å; E190-L220 HydrophobicContact CG-CD1 3.82Å |
| 191 | A | 91.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | V170 V187 T188 L194 V195 L220 C287 I289 | V170-A191 HydrophobicContact CB-CB 4.22Å; V170-A191 HydrophobicContact CG2-CB 4.08Å; V187-A191 VanDerWaalsContact O-CB 3.29Å; V187-A191 WeakPolarHBondContact O-CB 3.16Å; V187-A191 PolarHBondContact O-N 2.95Å; T188-A191 PolarHBondContact O-N 2.82Å; A191-L194 PolarHBondContact O-N 3.38Å; A191-V195 PolarHBondContact O-N 2.84Å; A191-V195 VanDerWaalsContact O-N 3.16Å; A191-L220 HydrophobicContact CB-CD1 4.27Å; A191-L220 HydrophobicContact CB-CD2 4.07Å; A191-C287 HydrophobicContact CB-CB 4.38Å; A191-I289 VanDerWaalsContact C-CD1 3.5Å; A191-I289 HydrophobicContact CB-CD1 3.96Å; A191-I289 VanDerWaalsContact O-CD1 3.3Å; A191-I289 WeakPolarHBondContact O-CD1 3.49Å |
| 192 | I | 91.1 | Very high | 87 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.4 | -47.7 | 171.6 | -68.1 | 162.6 | 0 | 0 | 0 | 110 | T188 R189 L194 V195 C196 T270 Y273 A275 I289 | T188-I192 VanDerWaalsContact O-CG1 3.3Å; T188-I192 WeakPolarHBondContact O-CG1 3.23Å; T188-I192 PolarHBondContact O-N 2.83Å; R189-I192 PolarHBondContact O-N 2.99Å; I192-L194 VanDerWaalsContact C-N 3.32Å; I192-L194 PolarHBondContact O-N 2.78Å; I192-V195 WeakPolarHBondContact O-CG2 3.45Å; I192-V195 PolarHBondContact O-N 2.88Å; I192-C196 WeakPolarHBondContact O-CB 3.49Å; I192-C196 PolarHBondContact O-N 2.87Å; I192-C196 PolarHBondContact O-SG 2.94Å; I192-T270 HydrophobicContact CG2-CG2 4.42Å; I192-Y273 HydrophobicContact CG2-CD1 4.26Å; I192-Y273 HydrophobicContact CG2-CD2 4.28Å; I192-Y273 HydrophobicContact CG2-CG 3.88Å; I192-A275 HydrophobicContact CD1-CB 3.96Å; I192-A275 HydrophobicContact CG1-CB 4.09Å; I192-I289 HydrophobicContact CG1-CG1 4.18Å; I192-I289 HydrophobicContact CG1-CG2 3.97Å |
| 193 | S | 87.9 | Confident | 86 | Confident | 60 Ų | 60 | 48.5 Ų | 48.5 | 42% | 0.42 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.9 | -41.1 | 178.7 | -163.4 | 0 | 0 | 0 | 0 | 112.4 | R189 E190 C196 E197 | R189-S193 PolarHBondContact O-N 2.8Å; E190-S193 PolarHBondContact O-N 2.83Å; S193-C196 PolarHBondContact O-N 3.13Å; S193-E197 PolarHBondContact O-N 3.08Å |
| 194 | L | 88.6 | Confident | 84.6 | Confident | 51 Ų | 51 | 48.4 Ų | 48.4 | 27% | 0.267 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.4 | -40.9 | 179.4 | -78.8 | 166.7 | 0 | 0 | 0 | 113.3 | E190 A191 I192 A198 L220 | E190-L194 HydrophobicContact CG-CD1 4.43Å; E190-L194 WeakPolarHBondContact O-CB 3.42Å; E190-L194 WeakPolarHBondContact O-CG 3.43Å; E190-L194 PolarHBondContact O-N 3.45Å; A191-L194 PolarHBondContact O-N 3.38Å; I192-L194 VanDerWaalsContact C-N 3.32Å; I192-L194 PolarHBondContact O-N 2.78Å; L194-A198 WeakPolarHBondContact O-CB 3.36Å; L194-A198 PolarHBondContact O-N 2.88Å; L194-L220 HydrophobicContact CD1-CD1 4Å |
| 195 | V | 89.6 | Confident | 82.9 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -75.5 | -33 | 175.2 | -57 | 0 | 0 | 0 | 0 | 111.9 | M167 V170 A191 I192 E197 A198 V199 L225 I289 | M167-V195 HydrophobicContact CB-CB 4.46Å; M167-V195 HydrophobicContact CB-CG2 3.88Å; V170-V195 HydrophobicContact CG2-CG1 3.78Å; A191-V195 PolarHBondContact O-N 2.84Å; A191-V195 VanDerWaalsContact O-N 3.16Å; I192-V195 WeakPolarHBondContact O-CG2 3.45Å; I192-V195 PolarHBondContact O-N 2.88Å; V195-E197 VanDerWaalsContact C-N 3.34Å; V195-E197 PolarHBondContact O-N 2.81Å; V195-A198 PolarHBondContact O-N 2.7Å; V195-V199 WeakPolarHBondContact O-CB 3.48Å; V195-V199 VanDerWaalsContact O-CG2 3.24Å; V195-V199 WeakPolarHBondContact O-CG2 3.35Å; V195-V199 PolarHBondContact O-N 3.31Å; V195-L225 HydrophobicContact CG1-CD2 4.22Å; V195-I289 HydrophobicContact CB-CD1 4.41Å; V195-I289 HydrophobicContact CG1-CD1 3.75Å; V195-I289 HydrophobicContact CG2-CB 4.12Å; V195-I289 HydrophobicContact CG2-CD1 3.71Å; V195-I289 HydrophobicContact CG2-CG1 4.47Å; V195-I289 HydrophobicContact CG2-CG2 3.84Å |
| 196 | C | 86.4 | Confident | 81 | Confident | 6 Ų | 6 | 51.3 Ų | 51.3 | 4% | 0.041 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.5 | -31.3 | 175.9 | -73.7 | 0 | 0 | 0 | 0 | 113.1 | I192 S193 A202 A205 Y273 | I192-C196 WeakPolarHBondContact O-CB 3.49Å; I192-C196 PolarHBondContact O-N 2.87Å; I192-C196 PolarHBondContact O-SG 2.94Å; S193-C196 PolarHBondContact O-N 3.13Å; C196-A202 HydrophobicContact CB-CB 4.39Å; C196-A205 WeakPolarHBondContact O-CA 3.39Å; C196-A205 WeakPolarHBondContact O-CB 3.43Å; C196-Y273 VanDerWaalsContact SG-CE1 3.6Å; C196-Y273 VanDerWaalsContact SG-CZ 3.6Å |
| 197 | E | 85.9 | Confident | 79.4 | Confident | 156 Ų | 156 | 56.3 Ų | 56.3 | 73% | 0.729 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -73.2 | -35.7 | 170.4 | -175.4 | 170.8 | -172.4 | 0 | 0 | 112 | S193 V195 | S193-E197 PolarHBondContact O-N 3.08Å; V195-E197 VanDerWaalsContact C-N 3.34Å; V195-E197 PolarHBondContact O-N 2.81Å |
| 198 | A | 85.8 | Confident | 77.6 | Confident | 48 Ų | 48 | 68.4 Ų | 68.4 | 40% | 0.397 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -88.6 | -12.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | L194 V195 L225 | L194-A198 WeakPolarHBondContact O-CB 3.36Å; L194-A198 PolarHBondContact O-N 2.88Å; V195-A198 PolarHBondContact O-N 2.7Å; A198-L225 HydrophobicContact CB-CD1 3.59Å |
| 199 | V | 85.5 | Confident | 75.9 | Confident | 11 Ų | 11 | 77.6 Ų | 77.6 | 7% | 0.067 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -106.9 | 110.6 | -178.8 | 178.2 | 0 | 0 | 0 | 0 | 110.7 | M167 V195 G201 A202 L225 A228 | M167-V199 HydrophobicContact CE-CB 3.88Å; M167-V199 HydrophobicContact CE-CG1 3.74Å; M167-V199 HydrophobicContact CE-CG2 4.26Å; V195-V199 WeakPolarHBondContact O-CB 3.48Å; V195-V199 VanDerWaalsContact O-CG2 3.24Å; V195-V199 WeakPolarHBondContact O-CG2 3.35Å; V195-V199 PolarHBondContact O-N 3.31Å; V199-G201 PolarHBondContact O-N 3.15Å; V199-A202 HydrophobicContact CB-CB 4.45Å; V199-A202 WeakPolarHBondContact O-CB 3.35Å; V199-A202 PolarHBondContact O-N 3.2Å; V199-L225 HydrophobicContact CG2-CD2 4.04Å; V199-A228 HydrophobicContact CG2-CB 3.69Å |
| 200 | P | 75 | Confident | 74.1 | Confident | 127 Ų | 127 | 81.2 Ų | 81.2 | 83% | 0.825 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 130.7 | 176.7 | -24.1 | 34.4 | 0 | 0 | 0 | 111.9 | ||
| 201 | G | 74.3 | Confident | 72.4 | Confident | 79 Ų | 79 | 85.5 Ų | 85.5 | 81% | 0.814 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.3 | 0.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | V199 K203 | V199-G201 PolarHBondContact O-N 3.15Å; G201-K203 PolarHBondContact O-N 3.2Å |
| 202 | A | 77.1 | Confident | 70.5 | Confident | 6 Ų | 6 | 88.4 Ų | 88.4 | 5% | 0.05 | 47% | 0.474 | C | S | . | . | trans | -61.8 | 132.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | M167 C196 V199 G204 A205 | M167-A202 HydrophobicContact CE-CB 3.57Å; C196-A202 HydrophobicContact CB-CB 4.39Å; V199-A202 HydrophobicContact CB-CB 4.45Å; V199-A202 WeakPolarHBondContact O-CB 3.35Å; V199-A202 PolarHBondContact O-N 3.2Å; A202-G204 PolarHBondContact O-N 3.47Å; A202-A205 HydrophobicContact CB-CB 4.41Å; A202-A205 WeakPolarHBondContact O-CB 3.34Å; A202-A205 PolarHBondContact O-N 3.02Å | ||
| 203 | K | 67.1 | Low | 68.9 | Low | 106 Ų | 106 | 90.6 Ų | 90.6 | 46% | 0.461 | 49% | 0.489 | S | S | . | . | G | 310 helix | trans | -58 | -33.8 | -178.5 | -66.5 | 163.1 | -177.6 | 158.1 | 0 | 113 | G201 A205 E272 Y273 E291 | G201-K203 PolarHBondContact O-N 3.2Å; K203-A205 VanDerWaalsContact C-N 3.3Å; K203-A205 PolarHBondContact O-N 3.43Å; K203-E272 WeakPolarHBondContact CB-OE1 3.1Å; K203-E272 VanDerWaalsContact CD-CD 3.43Å; K203-E272 WeakPolarHBondContact CD-OE1 3.27Å; K203-E272 WeakPolarHBondContact CD-OE2 3.29Å; K203-E272 WeakPolarHBondContact CE-OE2 3.38Å; K203-E272 IonicContact NZ-OE2 2.64Å; K203-E272 PolarHBondContact NZ-OE2 3.13Å; K203-Y273 PolarHBondContact N-OH 3.4Å; K203-E291 VanDerWaalsContact CD-OE1 3.31Å; K203-E291 WeakPolarHBondContact CD-OE1 3.33Å; K203-E291 WeakPolarHBondContact CE-OE1 3.36Å; K203-E291 IonicContact NZ-OE1 3.31Å; K203-E291 PolarHBondContact NZ-OE1 3.39Å |
| 204 | G | 60.8 | Low | 67.5 | Low | 29 Ų | 29 | 98.8 Ų | 98.8 | 30% | 0.299 | 51% | 0.511 | S | S | . | . | G | 310 helix | trans | -68.7 | -16.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116 | A202 T206 Y273 | A202-G204 PolarHBondContact O-N 3.47Å; G204-T206 PolarHBondContact O-N 2.97Å; G204-T206 VanDerWaalsContact O-N 3.12Å; G204-Y273 PolarHBondContact N-OH 3.16Å |
| 205 | A | 54.5 | Low | 66.2 | Low | 47 Ų | 47 | 100.7 Ų | 100.7 | 39% | 0.388 | 53% | 0.526 | S | S | . | . | G | 310 helix | trans | -65.2 | -19.4 | -168.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | C196 A202 K203 | C196-A205 WeakPolarHBondContact O-CA 3.39Å; C196-A205 WeakPolarHBondContact O-CB 3.43Å; A202-A205 HydrophobicContact CB-CB 4.41Å; A202-A205 WeakPolarHBondContact O-CB 3.34Å; A202-A205 PolarHBondContact O-N 3.02Å; K203-A205 VanDerWaalsContact C-N 3.3Å; K203-A205 PolarHBondContact O-N 3.43Å |
| 206 | T | 50.3 | Low | 65.5 | Low | 125 Ų | 125 | 101 Ų | 101 | 77% | 0.767 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -80.9 | -23.2 | -170.3 | 56.9 | 0 | 0 | 0 | 0 | 114.2 | G204 R208 | G204-T206 PolarHBondContact O-N 2.97Å; G204-T206 VanDerWaalsContact O-N 3.12Å; T206-R208 PolarHBondContact O-N 3.02Å |
| 207 | R | 55.7 | Low | 65.1 | Low | 177 Ų | 177 | 104.8 Ų | 104.8 | 67% | 0.668 | 56% | 0.555 | S | S | * | * | trans | -87.5 | 88.7 | 178.6 | -76.7 | -170.2 | 176.2 | -179.8 | 7 | 111.4 | R209 D269 | R207-R209 PolarHBondContact O-N 3.39Å; R207-D269 IonicContact CZ-OD1 2.77Å; R207-D269 IonicContact NH1-OD1 1.88Å; R207-D269 PolarHBondContact NH1-OD1 3.43Å; R207-D269 IonicContact NH1-OD2 2.73Å; R207-D269 IonicContact NH2-OD1 3.93Å | ||
| 208 | R | 53.4 | Low | 65.1 | Low | 253 Ų | 253 | 101.6 Ų | 101.6 | 96% | 0.955 | 55% | 0.549 | S | S | * | . | trans | -51.4 | 105.7 | 164.4 | -75.2 | -171.1 | -177.2 | -95.5 | 7.8 | 110.2 | T206 | T206-R208 PolarHBondContact O-N 3.02Š| ||
| 209 | R | 56.1 | Low | 65.2 | Low | 196 Ų | 196 | 99.9 Ų | 99.9 | 74% | 0.74 | 53% | 0.533 | S | S | * | . | trans | -106.1 | 174.3 | 173 | -148.5 | 169.5 | -173.9 | 157.3 | 4.2 | 110 | R207 | R207-R209 PolarHBondContact O-N 3.39Š| ||
| 210 | K | 51 | Low | 65.4 | Low | 194 Ų | 194 | 100 Ų | 100 | 84% | 0.843 | 53% | 0.533 | S | S | * | . | trans | -61.2 | 144.2 | 177.9 | -79.9 | 179.9 | 173.4 | 176 | 0 | 110.5 | ||||
| 211 | P | 51.8 | Low | 66 | Low | 124 Ų | 124 | 95.2 Ų | 95.2 | 81% | 0.805 | 51% | 0.508 | S | S | * | . | trans | -60.1 | 156.3 | 174 | 27.5 | -35.8 | 0 | 0 | 0 | 111.3 | ||||
| 212 | C | 52.1 | Low | 66.6 | Low | 60 Ų | 60 | 101.5 Ų | 101.5 | 41% | 0.405 | 51% | 0.507 | S | S | . | . | trans | -44.2 | 142.4 | -165.8 | -59.9 | 0 | 0 | 0 | 0 | 115.7 | E190 R214 | E190-C212 WeakPolarHBondContact OE1-CA 3.41Å; E190-C212 WeakPolarHBondContact OE1-CB 3.35Å; E190-C212 PolarHBondContact OE1-SG 3.18Å; C212-R214 PolarHBondContact O-N 3.22Å | ||
| 213 | S | 57.9 | Low | 67.3 | Low | 48 Ų | 48 | 104.3 Ų | 104.3 | 34% | 0.336 | 53% | 0.526 | S | S | . | . | trans | -67.4 | 125.3 | 174.6 | 71.7 | 0 | 0 | 0 | 0 | 110.5 | P215 L216 | S213-P215 VanDerWaalsContact C-N 3.31Å; S213-P215 WeakPolarHBondContact O-CD 3.16Å; S213-P215 VanDerWaalsContact O-N 3.11Å; S213-L216 PolarHBondContact O-N 3.45Å; S213-L216 WeakPolarHBondContact OG-CD1 3.42Å; S213-L216 WeakPolarHBondContact OG-CG 3.33Å | ||
| 214 | R | 59.1 | Low | 68.3 | Low | 231 Ų | 231 | 101.3 Ų | 101.3 | 87% | 0.872 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | -31.6 | -176.8 | -68.2 | -175.3 | 179 | -179.3 | -0.7 | 116.6 | C212 S217 | C212-R214 PolarHBondContact O-N 3.22Å; R214-S217 PolarHBondContact O-OG 3.5Å |
| 215 | P | 61.6 | Low | 69.7 | Low | 91 Ų | 91 | 102.7 Ų | 102.7 | 59% | 0.591 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -31.7 | 175.3 | 24.7 | -34.9 | 0 | 0 | 0 | 114.2 | S213 S217 S218 | S213-P215 VanDerWaalsContact C-N 3.31Å; S213-P215 WeakPolarHBondContact O-CD 3.16Å; S213-P215 VanDerWaalsContact O-N 3.11Å; P215-S217 PolarHBondContact O-N 3.48Å; P215-S218 PolarHBondContact O-N 2.93Å |
| 216 | L | 74.9 | Confident | 71.2 | Confident | 8 Ų | 8 | 108.1 Ų | 108.1 | 4% | 0.042 | 53% | 0.53 | C | S | . | . | G | 310 helix | trans | -78.8 | -20.2 | -170.7 | -61.8 | -176.7 | 0 | 0 | 0 | 113.8 | Q186 V187 E190 S213 S218 I219 L220 | Q186-L216 HydrophobicContact CB-CD1 4.26Å; V187-L216 HydrophobicContact CG2-CD2 3.96Å; E190-L216 HydrophobicContact CB-CD1 3.72Å; E190-L216 HydrophobicContact CG-CB 4.4Å; E190-L216 HydrophobicContact CG-CD1 3.86Å; S213-L216 PolarHBondContact O-N 3.45Å; S213-L216 WeakPolarHBondContact OG-CD1 3.42Å; S213-L216 WeakPolarHBondContact OG-CG 3.33Å; L216-S218 PolarHBondContact O-N 2.94Å; L216-I219 HydrophobicContact CD2-CD1 4.24Å; L216-I219 PolarHBondContact O-N 2.94Å; L216-L220 PolarHBondContact O-N 3.11Å |
| 217 | S | 78.3 | Confident | 72.9 | Confident | 85 Ų | 85 | 106.2 Ų | 106.2 | 59% | 0.594 | 51% | 0.511 | S | S | * | . | G | 310 helix | trans | -70.5 | -4.3 | 174.4 | 57.6 | 0 | 0 | 0 | 0 | 114.5 | R214 P215 | R214-S217 PolarHBondContact O-OG 3.5Å; P215-S217 PolarHBondContact O-N 3.48Å |
| 218 | S | 85 | Confident | 74.5 | Confident | 88 Ų | 88 | 99.1 Ų | 99.1 | 62% | 0.615 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -89 | -10.8 | 166.7 | -169.4 | 0 | 0 | 0 | 0 | 112.9 | P215 L216 | P215-S218 PolarHBondContact O-N 2.93Å; L216-S218 PolarHBondContact O-N 2.94Å |
| 219 | I | 87.8 | Confident | 76.1 | Confident | 13 Ų | 13 | 88.2 Ų | 88.2 | 7% | 0.067 | 46% | 0.457 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | -42.5 | -174.9 | -58.4 | 173.7 | 0 | 0 | 0 | 110.4 | V172 L173 Q174 L179 T183 V187 L216 | V172-I219 CarbonylContact C-O 3.57Å; V172-I219 WeakPolarHBondContact CA-O 3.45Å; V172-I219 HydrophobicContact CG1-CG2 4.04Å; L173-I219 PolarHBondContact N-O 2.92Å; Q174-I219 HydrophobicContact CB-CG2 4.27Å; L179-I219 HydrophobicContact CD1-CD1 4.28Å; L179-I219 HydrophobicContact CD1-CG2 3.92Å; L179-I219 HydrophobicContact CD2-CD1 3.94Å; T183-I219 HydrophobicContact CG2-CD1 3.94Å; V187-I219 HydrophobicContact CG1-CG2 4.12Å; V187-I219 HydrophobicContact CG2-CB 4.34Å; V187-I219 HydrophobicContact CG2-CD1 4.13Å; V187-I219 HydrophobicContact CG2-CG2 3.72Å; L216-I219 HydrophobicContact CD2-CD1 4.24Å; L216-I219 PolarHBondContact O-N 2.94Å |
| 220 | L | 89.5 | Confident | 77.7 | Confident | 12 Ų | 12 | 81.6 Ų | 81.6 | 6% | 0.063 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 128.3 | 175 | -67.1 | 173.8 | 0 | 0 | 0 | 110.6 | V170 V172 V187 E190 A191 L194 L216 | V170-L220 HydrophobicContact CB-CD2 4.5Å; V170-L220 HydrophobicContact CG1-CB 4.26Å; V170-L220 HydrophobicContact CG1-CD2 3.98Å; V172-L220 HydrophobicContact CG2-CD2 4.16Å; V187-L220 HydrophobicContact CG1-CD2 3.81Å; V187-L220 HydrophobicContact CG1-CG 4.25Å; E190-L220 HydrophobicContact CB-CD1 3.83Å; E190-L220 HydrophobicContact CG-CD1 3.82Å; A191-L220 HydrophobicContact CB-CD1 4.27Å; A191-L220 HydrophobicContact CB-CD2 4.07Å; L194-L220 HydrophobicContact CD1-CD1 4Å; L216-L220 PolarHBondContact O-N 3.11Å |
| 221 | G | 87.6 | Confident | 79.7 | Confident | 28 Ų | 28 | 75.3 Ų | 75.3 | 29% | 0.289 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | -137.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E171 | E171-G221 PolarHBondContact O-N 2.97Å |
| 222 | R | 87.7 | Confident | 81.8 | Confident | 211 Ų | 211 | 69.4 Ų | 69.4 | 80% | 0.796 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 145.3 | -177.7 | -64.3 | 176.5 | 177.9 | 169.3 | 0.4 | 112.5 | E171 | E171-R222 WeakPolarHBondContact CB-O 3.48Å; E171-R222 PolarHBondContact N-O 2.82Å; E171-R222 PolarHBondContact OE2-N 3.47Å |
| 223 | S | 90.2 | Very high | 83.8 | Confident | 65 Ų | 65 | 68.1 Ų | 68.1 | 46% | 0.455 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 142.1 | 167 | 51.2 | 0 | 0 | 0 | 0 | 111.4 | C169 | C169-S223 CarbonylContact O-C 3.57Å; C169-S223 WeakPolarHBondContact O-CA 3.19Å |
| 224 | N | 89.4 | Confident | 85.5 | Confident | 42 Ų | 42 | 65.8 Ų | 65.8 | 23% | 0.225 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 111.7 | 174.2 | 177.6 | 9.1 | 0 | 0 | 0 | 109.2 | G168 C169 K226 N283 | G168-N224 WeakPolarHBondContact CA-O 3.37Å; C169-N224 PolarHBondContact N-O 3.49Å; C169-N224 VanDerWaalsContact N-O 3.07Å; C169-N224 PolarHBondContact O-N 2.85Å; N224-K226 VanDerWaalsContact OD1-CG 3.26Å; N224-K226 WeakPolarHBondContact OD1-CG 3.33Å; N224-K226 PolarHBondContact OD1-N 3.3Å; N224-N283 PolarHBondContact ND2-OD1 2.79Å |
| 225 | L | 89.8 | Confident | 87.2 | Confident | 58 Ų | 58 | 55.9 Ų | 55.9 | 30% | 0.304 | 32% | 0.315 | S | S | . | . | trans | -112 | 14.6 | -171.2 | -55.2 | 176.1 | 0 | 0 | 0 | 113.1 | V195 A198 V199 F227 A228 | V195-L225 HydrophobicContact CG1-CD2 4.22Å; A198-L225 HydrophobicContact CB-CD1 3.59Å; V199-L225 HydrophobicContact CG2-CD2 4.04Å; L225-F227 PolarHBondContact O-N 2.81Å; L225-A228 HydrophobicContact CB-CB 3.88Å; L225-A228 HydrophobicContact CD2-CB 4.09Å; L225-A228 VanDerWaalsContact O-CB 3.32Å; L225-A228 WeakPolarHBondContact O-CB 3.34Å; L225-A228 PolarHBondContact O-N 3.02Å | ||
| 226 | K | 85.4 | Confident | 88.8 | Confident | 162 Ų | 162 | 51.6 Ų | 51.6 | 70% | 0.704 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -28.3 | -173.9 | -77.3 | 174.7 | -178.9 | -178.3 | 0 | 115.7 | N224 | N224-K226 VanDerWaalsContact OD1-CG 3.26Å; N224-K226 WeakPolarHBondContact OD1-CG 3.33Å; N224-K226 PolarHBondContact OD1-N 3.3Å |
| 227 | F | 86.7 | Confident | 89.8 | Confident | 85 Ų | 85 | 51.9 Ų | 51.9 | 37% | 0.373 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.2 | 18.9 | 178.8 | -54.6 | -71.1 | 0 | 0 | 0 | 111.6 | Y166 L225 M230 I252 | Y166-F227 HydrophobicContact CD1-CB 4.02Å; Y166-F227 HydrophobicContact CE1-CB 4.32Å; L225-F227 PolarHBondContact O-N 2.81Å; F227-M230 HydrophobicContact CB-SD 3.89Å; F227-M230 HydrophobicContact CD1-SD 3.84Å; F227-M230 HydrophobicContact CG-SD 4.37Å; F227-M230 WeakPolarHBondContact O-CB 3.35Å; F227-M230 WeakPolarHBondContact O-CG 3.4Å; F227-M230 PolarHBondContact O-N 2.92Å; F227-I252 HydrophobicContact CB-CG2 4.23Å; F227-I252 HydrophobicContact CD2-CG2 3.58Å; F227-I252 HydrophobicContact CE2-CG2 4.03Å; F227-I252 HydrophobicContact CG-CG2 3.89Å |
| 228 | A | 89.9 | Confident | 90.4 | Very high | 28 Ų | 28 | 48 Ų | 48 | 23% | 0.231 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | 142.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y166 M167 V199 L225 M230 | Y166-A228 CarbonylContact O-C 3.53Å; Y166-A228 WeakPolarHBondContact O-CA 3.45Å; M167-A228 VanDerWaalsContact O-CB 3.31Å; M167-A228 WeakPolarHBondContact O-CB 3.21Å; V199-A228 HydrophobicContact CG2-CB 3.69Å; L225-A228 HydrophobicContact CB-CB 3.88Å; L225-A228 HydrophobicContact CD2-CB 4.09Å; L225-A228 VanDerWaalsContact O-CB 3.32Å; L225-A228 WeakPolarHBondContact O-CB 3.34Å; L225-A228 PolarHBondContact O-N 3.02Å; A228-M230 VanDerWaalsContact C-N 3.27Å; A228-M230 PolarHBondContact O-N 2.94Å |
| 229 | G | 87 | Confident | 90.7 | Very high | 24 Ų | 24 | 47.2 Ų | 47.2 | 25% | 0.247 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | -9.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | R165 Y166 | R165-G229 VanDerWaalsContact CD-O 3.32Å; R165-G229 WeakPolarHBondContact CD-O 3.36Å; R165-G229 VanDerWaalsContact CG-C 3.47Å; R165-G229 VanDerWaalsContact CG-O 3.25Å; R165-G229 WeakPolarHBondContact CG-O 3.25Å; R165-G229 PolarHBondContact NH1-O 3.06Å; Y166-G229 PolarHBondContact O-N 2.57Å |
| 230 | M | 89.8 | Confident | 91 | Very high | 57 Ų | 57 | 47.5 Ų | 47.5 | 28% | 0.281 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 137.6 | -175.6 | -66 | -174.2 | 70.9 | 0 | 0 | 112.7 | R165 Y166 F227 A228 | R165-M230 WeakPolarHBondContact CA-O 3.37Å; R165-M230 WeakPolarHBondContact CG-O 3.44Å; Y166-M230 PolarHBondContact N-O 2.59Å; F227-M230 HydrophobicContact CB-SD 3.89Å; F227-M230 HydrophobicContact CD1-SD 3.84Å; F227-M230 HydrophobicContact CG-SD 4.37Å; F227-M230 WeakPolarHBondContact O-CB 3.35Å; F227-M230 WeakPolarHBondContact O-CG 3.4Å; F227-M230 PolarHBondContact O-N 2.92Å; A228-M230 VanDerWaalsContact C-N 3.27Å; A228-M230 PolarHBondContact O-N 2.94Å |
| 231 | P | 92.8 | Very high | 91.2 | Very high | 62 Ų | 62 | 47 Ų | 47 | 40% | 0.403 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 131.4 | 169.5 | 31.2 | -33 | 0 | 0 | 0 | 110.4 | A246 | P231-A246 HydrophobicContact CB-CB 4.3Å; P231-A246 WeakPolarHBondContact O-CB 3.24Å; P231-A246 PolarHBondContact O-N 3.07Å; P231-A246 VanDerWaalsContact O-N 3.11Å |
| 232 | I | 94.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 149.4 | -178.2 | 68 | 157.9 | 0 | 0 | 0 | 111.3 | V164 Y166 L243 M244 I252 L290 | V164-I232 HydrophobicContact CG2-CD1 4.04Å; V164-I232 HydrophobicContact CG2-CG1 3.65Å; V164-I232 PolarHBondContact N-O 3.18Å; V164-I232 WeakPolarHBondContact O-CG1 3.16Å; V164-I232 PolarHBondContact O-N 3.49Å; Y166-I232 HydrophobicContact CD2-CD1 4.33Å; I232-L243 HydrophobicContact CD1-CB 3.86Å; I232-L243 HydrophobicContact CD1-CD2 3.79Å; I232-L243 HydrophobicContact CD1-CG 3.66Å; I232-M244 CarbonylContact C-O 3.59Å; I232-M244 VanDerWaalsContact CA-O 3.23Å; I232-M244 WeakPolarHBondContact CA-O 3.45Å; I232-M244 WeakPolarHBondContact CB-O 3.13Å; I232-I252 HydrophobicContact CG2-CD1 3.54Å; I232-L290 HydrophobicContact CD1-CD2 4.03Å |
| 233 | T | 94.2 | Very high | 91.8 | Very high | 32 Ų | 32 | 36.9 Ų | 36.9 | 20% | 0.196 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 110 | 160.7 | -55.6 | 0 | 0 | 0 | 0 | 108 | Y162 M244 | Y162-T233 CarbonylContact O-C 3.46Å; Y162-T233 WeakPolarHBondContact O-CA 3.49Å; T233-M244 HydrophobicContact CG2-CE 4.23Å; T233-M244 PolarHBondContact N-O 3Å; T233-M244 PolarHBondContact O-N 3.08Å |
| 234 | L | 94.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 115.7 | 168 | 174.7 | 75.4 | 0 | 0 | 0 | 108.6 | S161 Y162 V164 V236 L241 N242 L243 L290 V300 | S161-L234 CarbonylContact C-O 3.57Å; S161-L234 VanDerWaalsContact CA-O 3.32Å; S161-L234 WeakPolarHBondContact CA-O 3.45Å; Y162-L234 PolarHBondContact N-O 3.36Å; Y162-L234 PolarHBondContact O-N 3.42Å; V164-L234 HydrophobicContact CG2-CB 3.84Å; L234-V236 HydrophobicContact CD2-CG2 4.01Å; L234-V236 HydrophobicContact CG-CG2 4.14Å; L234-L241 HydrophobicContact CD1-CB 4.32Å; L234-N242 CarbonylContact C-O 3.45Å; L234-N242 WeakPolarHBondContact CA-O 3.38Å; L234-L243 HydrophobicContact CD1-CD1 3.73Å; L234-L243 HydrophobicContact CD1-CG 4.04Å; L234-L290 HydrophobicContact CD1-CD1 4.31Å; L234-L290 HydrophobicContact CD2-CD1 3.81Å; L234-V300 HydrophobicContact CD2-CG1 3.67Å; L234-V300 HydrophobicContact CD2-CG2 4.4Å |
| 235 | T | 94.8 | Very high | 92.1 | Very high | 23 Ų | 23 | 34.1 Ų | 34.1 | 14% | 0.141 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 118.4 | 171 | -61.6 | 0 | 0 | 0 | 0 | 110.6 | P158 V160 S161 L241 N242 | P158-T235 WeakPolarHBondContact O-CG2 3.14Å; V160-T235 WeakPolarHBondContact O-CA 3.42Å; S161-T235 PolarHBondContact OG-OG1 3.21Å; T235-L241 WeakPolarHBondContact O-CA 3.1Å; T235-N242 PolarHBondContact N-O 2.77Å; T235-N242 PolarHBondContact O-N 3.45Å |
| 236 | V | 95.1 | Very high | 92 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 112.3 | 179.9 | -176.6 | 0 | 0 | 0 | 0 | 109.7 | G159 V160 Y162 L234 L241 T303 I304 A307 | G159-V236 CarbonylContact C-O 3.57Å; G159-V236 WeakPolarHBondContact CA-O 3.4Å; V160-V236 PolarHBondContact N-O 3.25Å; V160-V236 PolarHBondContact O-N 3.45Å; Y162-V236 HydrophobicContact CD2-CG2 4.32Å; Y162-V236 HydrophobicContact CE2-CG2 4.43Å; L234-V236 HydrophobicContact CD2-CG2 4.01Å; L234-V236 HydrophobicContact CG-CG2 4.14Å; V236-L241 HydrophobicContact CB-CD2 4.05Å; V236-L241 HydrophobicContact CG1-CD2 3.72Å; V236-L241 HydrophobicContact CG2-CD2 4.04Å; V236-T303 HydrophobicContact CB-CG2 4.21Å; V236-T303 HydrophobicContact CG1-CG2 3.93Å; V236-I304 HydrophobicContact CG1-CG1 4.03Å; V236-I304 HydrophobicContact CG2-CG1 4.15Å; V236-A307 HydrophobicContact CG1-CB 4.06Å |
| 237 | S | 94.3 | Very high | 92.1 | Very high | 15 Ų | 15 | 31.3 Ų | 31.3 | 11% | 0.105 | 19% | 0.191 | C | C | . | . | trans | -126.9 | 165.2 | 174.2 | 70.2 | 0 | 0 | 0 | 0 | 111.3 | V155 S239 S240 M257 | V155-S237 CarbonylContact O-C 3.53Å; V155-S237 WeakPolarHBondContact O-CA 3.33Å; S237-S239 PolarHBondContact O-N 2.91Å; S237-S239 PolarHBondContact OG-N 2.82Å; S237-S240 PolarHBondContact N-O 3.06Å; S237-S240 VanDerWaalsContact N-O 3.08Å; S237-S240 PolarHBondContact OG-N 2.81Å; S237-S240 PolarHBondContact OG-O 2.92Å; S237-M257 WeakPolarHBondContact O-CE 3.35Å | ||
| 238 | T | 92.4 | Very high | 91.7 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.018 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -60.3 | -28 | 170.9 | 48.8 | 0 | 0 | 0 | 0 | 112.9 | V155 M156 M257 L310 R311 | V155-T238 HydrophobicContact CG1-CG2 4.3Å; V155-T238 PolarHBondContact O-N 2.89Å; M156-T238 HydrophobicContact CB-CG2 4.47Å; M156-T238 HydrophobicContact CG-CG2 3.69Å; T238-M257 VanDerWaalsContact O-CB 3.28Å; T238-M257 WeakPolarHBondContact O-CB 3.28Å; T238-L310 HydrophobicContact CG2-CB 3.7Å; T238-L310 HydrophobicContact CG2-CD1 4.44Å; T238-R311 HydrophobicContact CG2-CB 4.36Å; T238-R311 WeakPolarHBondContact O-CG 3.41Å |
| 239 | S | 91.5 | Very high | 91.4 | Very high | 72 Ų | 72 | 37.3 Ų | 37.3 | 50% | 0.503 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -76.7 | -52.9 | -180 | -58.4 | 0 | 0 | 0 | 0 | 111.8 | S237 H256 M257 | S237-S239 PolarHBondContact O-N 2.91Å; S237-S239 PolarHBondContact OG-N 2.82Å; S239-H256 PolarHBondContact O-CD2 3.49Å; S239-M257 WeakPolarHBondContact O-CB 3.45Å; S239-M257 PolarHBondContact O-N 3.06Å |
| 240 | S | 93.2 | Very high | 91.5 | Very high | 19 Ų | 19 | 42.1 Ų | 42.1 | 13% | 0.133 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 164.3 | -176.3 | 64.3 | 0 | 0 | 0 | 0 | 113.6 | S237 N254 H255 | S237-S240 PolarHBondContact N-O 3.06Å; S237-S240 VanDerWaalsContact N-O 3.08Å; S237-S240 PolarHBondContact OG-N 2.81Å; S237-S240 PolarHBondContact OG-O 2.92Å; S240-N254 WeakPolarHBondContact CB-OD1 3.44Å; S240-N254 PolarHBondContact OG-OD1 3Å; S240-H255 VanDerWaalsContact CA-O 3.31Å; S240-H255 WeakPolarHBondContact CA-O 3.28Å; S240-H255 VanDerWaalsContact CB-O 3.31Å; S240-H255 WeakPolarHBondContact CB-O 3.29Å |
| 241 | L | 94.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 114.9 | 159.7 | -53.7 | -171.4 | 0 | 0 | 0 | 108.5 | L234 T235 V236 L243 N254 H255 M257 I260 Y276 I304 | L234-L241 HydrophobicContact CD1-CB 4.32Å; T235-L241 WeakPolarHBondContact O-CA 3.1Å; V236-L241 HydrophobicContact CB-CD2 4.05Å; V236-L241 HydrophobicContact CG1-CD2 3.72Å; V236-L241 HydrophobicContact CG2-CD2 4.04Å; L241-L243 HydrophobicContact CB-CD1 4.32Å; L241-N254 CarbonylContact O-C 3.56Å; L241-H255 HydrophobicContact CB-CB 4.45Å; L241-H255 PolarHBondContact N-O 2.92Å; L241-H255 PolarHBondContact O-N 3.44Å; L241-M257 HydrophobicContact CD2-CE 3.84Å; L241-M257 HydrophobicContact CG-CE 4.32Å; L241-I260 HydrophobicContact CB-CD1 4.33Å; L241-I260 HydrophobicContact CD1-CD1 3.53Å; L241-I260 HydrophobicContact CG-CD1 3.55Å; L241-Y276 HydrophobicContact CD1-CD2 4.29Å; L241-Y276 HydrophobicContact CD1-CE2 4.19Å; L241-I304 HydrophobicContact CD1-CD1 3.99Å; L241-I304 HydrophobicContact CD1-CG1 4.15Å; L241-I304 HydrophobicContact CD2-CG1 4.08Å |
| 242 | N | 93.6 | Very high | 91.3 | Very high | 28 Ų | 28 | 42.9 Ų | 42.9 | 15% | 0.15 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 129.6 | 175 | -168.2 | -87.3 | 0 | 0 | 0 | 109.8 | L234 T235 | L234-N242 CarbonylContact C-O 3.45Å; L234-N242 WeakPolarHBondContact CA-O 3.38Å; T235-N242 PolarHBondContact N-O 2.77Å; T235-N242 PolarHBondContact O-N 3.45Å |
| 243 | L | 93.2 | Very high | 91 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 106.6 | 178.2 | -75.6 | 71.4 | 0 | 0 | 0 | 107.7 | Y166 I232 L234 L241 I252 A253 Y276 L290 | Y166-L243 HydrophobicContact CD2-CD2 3.64Å; Y166-L243 HydrophobicContact CE2-CD2 3.62Å; I232-L243 HydrophobicContact CD1-CB 3.86Å; I232-L243 HydrophobicContact CD1-CD2 3.79Å; I232-L243 HydrophobicContact CD1-CG 3.66Å; L234-L243 HydrophobicContact CD1-CD1 3.73Å; L234-L243 HydrophobicContact CD1-CG 4.04Å; L241-L243 HydrophobicContact CB-CD1 4.32Å; L243-I252 PolarHBondContact O-N 3.47Å; L243-A253 HydrophobicContact CB-CB 4.33Å; L243-A253 PolarHBondContact N-O 3.37Å; L243-A253 PolarHBondContact O-N 3.46Å; L243-Y276 WeakPolarHBondContact CD1-OH 3.2Å; L243-Y276 WeakPolarHBondContact CD2-OH 3.24Å; L243-L290 HydrophobicContact CD2-CD2 4.45Å |
| 244 | M | 93.1 | Very high | 90.9 | Very high | 47 Ų | 47 | 46.1 Ų | 46.1 | 23% | 0.232 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 131.2 | -174.8 | 178.4 | 176.2 | 60.5 | 0 | 0 | 110.4 | I232 T233 A246 K249 Q250 | I232-M244 CarbonylContact C-O 3.59Å; I232-M244 VanDerWaalsContact CA-O 3.23Å; I232-M244 WeakPolarHBondContact CA-O 3.45Å; I232-M244 WeakPolarHBondContact CB-O 3.13Å; T233-M244 HydrophobicContact CG2-CE 4.23Å; T233-M244 PolarHBondContact N-O 3Å; T233-M244 PolarHBondContact O-N 3.08Å; M244-A246 PolarHBondContact O-N 3.26Å; M244-K249 HydrophobicContact CG-CB 4.36Å; M244-K249 WeakPolarHBondContact CG-O 3.29Å; M244-K249 HydrophobicContact SD-CB 3.9Å; M244-K249 HydrophobicContact SD-CG 4.36Å; M244-Q250 CarbonylContact C-O 3.54Å; M244-Q250 WeakPolarHBondContact CA-O 3.49Å |
| 245 | A | 93.4 | Very high | 90.8 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 2% | 0.017 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 130.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111 | D247 C248 K249 Q250 I252 | A245-D247 VanDerWaalsContact C-N 3.31Å; A245-D247 WeakPolarHBondContact CB-OD1 3.5Å; A245-D247 PolarHBondContact O-N 3.35Å; A245-C248 VanDerWaalsContact CB-SG 3.58Å; A245-K249 VanDerWaalsContact O-CA 3.26Å; A245-K249 WeakPolarHBondContact O-CA 3.4Å; A245-K249 PolarHBondContact O-N 2.86Å; A245-Q250 HydrophobicContact CB-CB 4.45Å; A245-Q250 PolarHBondContact N-O 3.37Å; A245-I252 HydrophobicContact CB-CD1 3.97Å; A245-I252 HydrophobicContact CB-CG1 4.3Å |
| 246 | A | 88.7 | Confident | 90.7 | Very high | 42 Ų | 42 | 49.4 Ų | 49.4 | 35% | 0.347 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -23.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L163 P231 M244 | L163-A246 HydrophobicContact CD1-CB 3.93Å; P231-A246 HydrophobicContact CB-CB 4.3Å; P231-A246 WeakPolarHBondContact O-CB 3.24Å; P231-A246 PolarHBondContact O-N 3.07Å; P231-A246 VanDerWaalsContact O-N 3.11Å; M244-A246 PolarHBondContact O-N 3.26Å |
| 247 | D | 86.4 | Confident | 90.4 | Very high | 119 Ų | 119 | 49.5 Ų | 49.5 | 64% | 0.636 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -49.5 | -177.2 | 55.9 | -13.5 | 0 | 0 | 0 | 113 | A245 | A245-D247 VanDerWaalsContact C-N 3.31Å; A245-D247 WeakPolarHBondContact CB-OD1 3.5Å; A245-D247 PolarHBondContact O-N 3.35Å |
| 248 | C | 78.3 | Confident | 90.1 | Very high | 74 Ų | 74 | 54.6 Ų | 54.6 | 50% | 0.5 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | -2 | -172.6 | 64.7 | 0 | 0 | 0 | 0 | 114.4 | A245 Q250 | A245-C248 VanDerWaalsContact CB-SG 3.58Å; C248-Q250 PolarHBondContact O-N 3.47Å; C248-Q250 VanDerWaalsContact O-N 3.13Å; C248-Q250 WeakPolarHBondContact SG-CB 3.45Å |
| 249 | K | 83.8 | Confident | 90 | Very high | 164 Ų | 164 | 55.8 Ų | 55.8 | 71% | 0.713 | 30% | 0.299 | S | S | * | . | trans | 57.1 | 19.5 | -175.3 | -58.5 | -179.7 | -177.9 | 176.3 | 0 | 114.5 | M244 A245 | M244-K249 HydrophobicContact CG-CB 4.36Å; M244-K249 WeakPolarHBondContact CG-O 3.29Å; M244-K249 HydrophobicContact SD-CB 3.9Å; M244-K249 HydrophobicContact SD-CG 4.36Å; A245-K249 VanDerWaalsContact O-CA 3.26Å; A245-K249 WeakPolarHBondContact O-CA 3.4Å; A245-K249 PolarHBondContact O-N 2.86Å | ||
| 250 | Q | 89.3 | Confident | 90 | Very high | 126 Ų | 126 | 52.5 Ų | 52.5 | 59% | 0.589 | 28% | 0.276 | S | S | * | . | trans | -72.2 | 131.6 | 174.9 | -174.8 | 175.3 | 3.3 | 0 | 0 | 110.5 | M244 A245 C248 I252 | M244-Q250 CarbonylContact C-O 3.54Å; M244-Q250 WeakPolarHBondContact CA-O 3.49Å; A245-Q250 HydrophobicContact CB-CB 4.45Å; A245-Q250 PolarHBondContact N-O 3.37Å; C248-Q250 PolarHBondContact O-N 3.47Å; C248-Q250 VanDerWaalsContact O-N 3.13Å; C248-Q250 WeakPolarHBondContact SG-CB 3.45Å; Q250-I252 PolarHBondContact O-N 2.9Å | ||
| 251 | I | 90.1 | Very high | 89.7 | Confident | 99 Ų | 99 | 52.9 Ų | 52.9 | 51% | 0.508 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 116.8 | 172.3 | -58.9 | 172.5 | 0 | 0 | 0 | 108.5 | A253 N254 | I251-A253 WeakPolarHBondContact CG2-O 3.4Å; I251-N254 HydrophobicContact CG2-CB 4.37Å |
| 252 | I | 88.4 | Confident | 89.6 | Confident | 36 Ų | 36 | 54 Ų | 54 | 19% | 0.185 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | -43.1 | 177.3 | -62.8 | 167 | 0 | 0 | 0 | 110.1 | F227 I232 L243 A245 Q250 | F227-I252 HydrophobicContact CB-CG2 4.23Å; F227-I252 HydrophobicContact CD2-CG2 3.58Å; F227-I252 HydrophobicContact CE2-CG2 4.03Å; F227-I252 HydrophobicContact CG-CG2 3.89Å; I232-I252 HydrophobicContact CG2-CD1 3.54Å; L243-I252 PolarHBondContact O-N 3.47Å; A245-I252 HydrophobicContact CB-CD1 3.97Å; A245-I252 HydrophobicContact CB-CG1 4.3Å; Q250-I252 PolarHBondContact O-N 2.9Å |
| 253 | A | 88.5 | Confident | 89.5 | Confident | 12 Ų | 12 | 54.3 Ų | 54.3 | 10% | 0.099 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 157.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L243 I251 H255 | L243-A253 HydrophobicContact CB-CB 4.33Å; L243-A253 PolarHBondContact N-O 3.37Å; L243-A253 PolarHBondContact O-N 3.46Å; I251-A253 WeakPolarHBondContact CG2-O 3.4Å; A253-H255 VanDerWaalsContact CB-CE1 3.41Å; A253-H255 WeakPolarHBondContact CB-CE1 3.48Å |
| 254 | N | 91.1 | Very high | 89.4 | Confident | 87 Ų | 87 | 55.1 Ų | 55.1 | 47% | 0.465 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 90.8 | 176.6 | -172.4 | 13.7 | 0 | 0 | 0 | 109.8 | S240 L241 I251 H256 | S240-N254 WeakPolarHBondContact CB-OD1 3.44Å; S240-N254 PolarHBondContact OG-OD1 3Å; L241-N254 CarbonylContact O-C 3.56Å; I251-N254 HydrophobicContact CG2-CB 4.37Å; N254-H256 PolarHBondContact O-N 3.26Å |
| 255 | H | 93.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 100.8 | -174.3 | -61.2 | 123.2 | 0 | 0 | 0 | 110.5 | S240 L241 A253 I260 Y276 A278 D280 H288 | S240-H255 VanDerWaalsContact CA-O 3.31Å; S240-H255 WeakPolarHBondContact CA-O 3.28Å; S240-H255 VanDerWaalsContact CB-O 3.31Å; S240-H255 WeakPolarHBondContact CB-O 3.29Å; L241-H255 HydrophobicContact CB-CB 4.45Å; L241-H255 PolarHBondContact N-O 2.92Å; L241-H255 PolarHBondContact O-N 3.44Å; A253-H255 VanDerWaalsContact CB-CE1 3.41Å; A253-H255 WeakPolarHBondContact CB-CE1 3.48Å; H255-I260 HydrophobicContact CB-CD1 4.04Å; H255-I260 HydrophobicContact CB-CG1 4.09Å; H255-Y276 HydrophobicContact CB-CE2 4.4Å; H255-Y276 PolarHBondContact CE1-OH 3.44Å; H255-Y276 AromaticContact ND1-CE2 3.43Å; H255-Y276 WeakPolarHBondContact ND1-CE2 3.41Å; H255-Y276 AromaticContact ND1-CZ 3.56Å; H255-Y276 PolarHBondContact ND1-OH 2.91Å; H255-A278 HydrophobicContact CB-CB 4.09Å; H255-D280 IonicContact CD2-OD1 2.7Å; H255-D280 PolarHBondContact CD2-OD1 2.91Å; H255-D280 IonicContact CD2-OD2 3.99Å; H255-D280 IonicContact NE2-OD1 3.14Å; H255-D280 PolarHBondContact NE2-OD1 3.09Å; H255-D280 IonicContact NE2-OD2 3.33Å; H255-D280 PolarHBondContact NE2-OD2 3.39Å; H255-H288 AromaticContact CE1-CD2 3.62Å; H255-H288 AromaticContact CE1-CE1 2.98Å; H255-H288 PolarHBondContact CE1-CE1 2.93Å; H255-H288 AromaticContact CE1-CG 3.27Å; H255-H288 AromaticContact CE1-ND1 2.84Å; H255-H288 PolarHBondContact CE1-ND1 2.87Å; H255-H288 AromaticContact CE1-NE2 3.47Å; H255-H288 PolarHBondContact CE1-NE2 3.27Å; H255-H288 AromaticContact NE2-CD2 3.98Å; H255-H288 AromaticContact NE2-CE1 2.92Å; H255-H288 PolarHBondContact NE2-CE1 2.78Å; H255-H288 AromaticContact NE2-ND1 3.81Å; H255-H288 AromaticContact NE2-NE2 3.04Å; H255-H288 PolarHBondContact NE2-NE2 2.83Å |
| 256 | H | 91.9 | Very high | 88.9 | Confident | 92 Ų | 92 | 54.9 Ų | 54.9 | 43% | 0.426 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.4 | 138.7 | 175.4 | -172.3 | -135.8 | 0 | 0 | 0 | 111 | S239 N254 Q258 S259 | S239-H256 PolarHBondContact O-CD2 3.49Å; N254-H256 PolarHBondContact O-N 3.26Å; H256-Q258 PolarHBondContact CE1-NE2 3.17Å; H256-Q258 PolarHBondContact O-N 3.22Å; H256-S259 WeakPolarHBondContact O-CB 3.36Å; H256-S259 PolarHBondContact O-N 2.86Å; H256-S259 PolarHBondContact O-OG 3.26Å |
| 257 | M | 89.2 | Confident | 88.6 | Confident | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -8.8 | -173.1 | -163.7 | 60 | 71.2 | 0 | 0 | 113.8 | S237 T238 S239 L241 I260 A307 F308 R311 | S237-M257 WeakPolarHBondContact O-CE 3.35Å; T238-M257 VanDerWaalsContact O-CB 3.28Å; T238-M257 WeakPolarHBondContact O-CB 3.28Å; S239-M257 WeakPolarHBondContact O-CB 3.45Å; S239-M257 PolarHBondContact O-N 3.06Å; L241-M257 HydrophobicContact CD2-CE 3.84Å; L241-M257 HydrophobicContact CG-CE 4.32Å; M257-I260 HydrophobicContact SD-CD1 4.2Å; M257-A307 HydrophobicContact CE-CB 3.77Å; M257-F308 HydrophobicContact CG-CD1 4.14Å; M257-F308 HydrophobicContact CG-CE1 4.16Å; M257-F308 HydrophobicContact SD-CD1 3.91Å; M257-F308 HydrophobicContact SD-CD2 4.02Å; M257-F308 HydrophobicContact SD-CE1 3.78Å; M257-F308 HydrophobicContact SD-CE2 3.89Å; M257-F308 HydrophobicContact SD-CG 4.04Å; M257-F308 HydrophobicContact SD-CZ 3.78Å; M257-R311 HydrophobicContact CG-CB 4.38Å; M257-R311 HydrophobicContact CG-CG 4.34Å |
| 258 | Q | 88.1 | Confident | 88.4 | Confident | 122 Ų | 122 | 52.7 Ų | 52.7 | 57% | 0.57 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -26.9 | 169.1 | -61.5 | -177.5 | 13.1 | 0 | 0 | 114 | H256 | H256-Q258 PolarHBondContact CE1-NE2 3.17Å; H256-Q258 PolarHBondContact O-N 3.22Å |
| 259 | S | 90.7 | Very high | 88.6 | Confident | 29 Ų | 29 | 53.6 Ų | 53.6 | 20% | 0.203 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -23.8 | -176.9 | 74.2 | 0 | 0 | 0 | 0 | 113 | H256 A278 K279 | H256-S259 WeakPolarHBondContact O-CB 3.36Å; H256-S259 PolarHBondContact O-N 2.86Å; H256-S259 PolarHBondContact O-OG 3.26Å; S259-A278 CarbonylContact O-C 3.6Å; S259-K279 WeakPolarHBondContact CB-O 3.26Å; S259-K279 PolarHBondContact O-N 2.85Å |
| 260 | I | 91.3 | Very high | 88.6 | Confident | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.015 | 27% | 0.266 | C | S | . | . | trans | -77.8 | 131.4 | -179.6 | -53.8 | 167.6 | 0 | 0 | 0 | 108.8 | L241 H255 M257 Y276 V277 A278 F308 | L241-I260 HydrophobicContact CB-CD1 4.33Å; L241-I260 HydrophobicContact CD1-CD1 3.53Å; L241-I260 HydrophobicContact CG-CD1 3.55Å; H255-I260 HydrophobicContact CB-CD1 4.04Å; H255-I260 HydrophobicContact CB-CG1 4.09Å; M257-I260 HydrophobicContact SD-CD1 4.2Å; I260-Y276 HydrophobicContact CG1-CD2 4.42Å; I260-Y276 HydrophobicContact CG2-CD2 4.22Å; I260-V277 WeakPolarHBondContact CA-O 3.33Å; I260-A278 HydrophobicContact CG1-CB 4.09Å; I260-F308 HydrophobicContact CB-CZ 3.77Å; I260-F308 HydrophobicContact CG2-CE2 4.04Å; I260-F308 HydrophobicContact CG2-CZ 3.68Å | ||
| 261 | S | 88 | Confident | 88.5 | Confident | 26 Ų | 26 | 43.3 Ų | 43.3 | 18% | 0.182 | 26% | 0.257 | C | S | . | . | trans | -129 | -14.2 | -165.3 | 59.2 | 0 | 0 | 0 | 0 | 115 | V277 R285 | S261-V277 PolarHBondContact N-O 3.43Å; S261-V277 PolarHBondContact OG-O 2.87Å; S261-R285 PolarHBondContact OG-NH1 3.09Å | ||
| 262 | F | 91.3 | Very high | 88.5 | Confident | 25 Ų | 25 | 41.1 Ų | 41.1 | 11% | 0.11 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 153.1 | 171.1 | -172.6 | -111 | 0 | 0 | 0 | 109.1 | M176 F181 R184 T188 Y276 V277 | M176-F262 HydrophobicContact CB-CB 4.27Å; M176-F262 HydrophobicContact CE-CB 3.77Å; M176-F262 HydrophobicContact CE-CD1 3.39Å; M176-F262 HydrophobicContact CE-CE1 4.1Å; M176-F262 HydrophobicContact CE-CG 3.68Å; M176-F262 HydrophobicContact CG-CB 4.23Å; F181-F262 HydrophobicContact CD2-CE2 4.38Å; F181-F262 HydrophobicContact CE2-CE2 4.28Å; F181-F262 HydrophobicContact CE2-CZ 4.43Å; R184-F262 HydrophobicContact CB-CD1 4.35Å; R184-F262 HydrophobicContact CB-CD2 4.42Å; R184-F262 HydrophobicContact CB-CE1 3.92Å; R184-F262 HydrophobicContact CB-CE2 4.01Å; R184-F262 HydrophobicContact CB-CZ 3.74Å; T188-F262 HydrophobicContact CG2-CD1 3.84Å; T188-F262 HydrophobicContact CG2-CE1 3.82Å; F262-Y276 CarbonylContact O-C 3.47Å; F262-Y276 WeakPolarHBondContact O-CA 3.2Å; F262-V277 HydrophobicContact CB-CB 4.42Å; F262-V277 HydrophobicContact CB-CG2 4.42Å; F262-V277 PolarHBondContact O-N 2.84Å |
| 263 | A | 92.3 | Very high | 88.7 | Confident | 34 Ų | 34 | 39.5 Ų | 39.5 | 28% | 0.281 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 141.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | A275 | A263-A275 CarbonylContact C-O 3.59Å; A263-A275 WeakPolarHBondContact CA-O 3.1Å |
| 264 | S | 91.2 | Very high | 89 | Confident | 16 Ų | 16 | 38.9 Ų | 38.9 | 11% | 0.112 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 159.6 | 172.2 | 76.5 | 0 | 0 | 0 | 0 | 110.7 | T188 A275 | T188-S264 WeakPolarHBondContact CB-OG 3.13Å; T188-S264 PolarHBondContact OG1-OG 2.81Å; S264-A275 PolarHBondContact N-O 3.23Å; S264-A275 PolarHBondContact O-N 3.33Å; S264-A275 VanDerWaalsContact O-O 3.09Å |
| 265 | G | 89.1 | Confident | 89.1 | Confident | 22 Ų | 22 | 34.8 Ų | 34.8 | 23% | 0.227 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 176.5 | 156.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y273 I301 | G265-Y273 CarbonylContact C-O 3.53Å; G265-Y273 WeakPolarHBondContact CA-O 3.45Å; G265-I301 VanDerWaalsContact CA-CD1 3.43Å |
| 266 | G | 85.3 | Confident | 89.2 | Confident | 23 Ų | 23 | 34.8 Ų | 34.8 | 24% | 0.237 | 21% | 0.21 | C | C | . | . | trans | -70.3 | -166.6 | 158.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y273 | G266-Y273 PolarHBondContact N-O 3.03Š| ||
| 267 | D | 83.7 | Confident | 89.3 | Confident | 18 Ų | 18 | 30.4 Ų | 30.4 | 10% | 0.096 | 19% | 0.189 | C | C | . | . | trans | -95.6 | 174.8 | 174 | 61.8 | -155.1 | 0 | 0 | 0 | 111.5 | R189 D269 T270 A271 | R189-D267 IonicContact CZ-OD1 3.16Å; R189-D267 IonicContact NE-OD1 3.83Å; R189-D267 PolarHBondContact NE-OD1 2.83Å; R189-D267 IonicContact NH2-OD1 3.52Å; R189-D267 PolarHBondContact NH2-OD1 3Å; D267-D269 PolarHBondContact O-N 2.8Å; D267-D269 VanDerWaalsContact O-N 3.11Å; D267-D269 WeakPolarHBondContact OD2-CB 3.5Å; D267-D269 PolarHBondContact OD2-N 3.28Å; D267-T270 PolarHBondContact N-OG1 2.83Å; D267-T270 CarbonylContact O-C 3.6Å; D267-T270 WeakPolarHBondContact O-CA 3.3Å; D267-T270 PolarHBondContact O-N 3.4Å; D267-T270 PolarHBondContact O-OG1 2.85Å; D267-T270 PolarHBondContact OD2-N 2.84Å; D267-T270 PolarHBondContact OD2-OG1 3.31Å; D267-A271 VanDerWaalsContact O-CA 3.29Å; D267-A271 WeakPolarHBondContact O-CA 3.29Å; D267-A271 PolarHBondContact O-N 3.22Å | ||
| 268 | P | 81.7 | Confident | 89.5 | Confident | 96 Ų | 96 | 30.3 Ų | 30.3 | 62% | 0.623 | 19% | 0.189 | S | C | * | . | G | 310 helix | trans | -46.9 | -34.4 | 173.7 | 5.4 | -24.7 | 0 | 0 | 0 | 116.6 | P55 T270 | P55-P268 HydrophobicContact CG-CB 3.88Å; P55-P268 HydrophobicContact CG-CG 4.2Å; P268-T270 VanDerWaalsContact C-N 3.29Å |
| 269 | D | 82.2 | Confident | 89.6 | Confident | 94 Ų | 94 | 29.9 Ų | 29.9 | 50% | 0.503 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -78.8 | -13.4 | 176.8 | -65.6 | -75.9 | 0 | 0 | 0 | 112.6 | R207 D267 | R207-D269 IonicContact CZ-OD1 2.77Å; R207-D269 IonicContact NH1-OD1 1.88Å; R207-D269 PolarHBondContact NH1-OD1 3.43Å; R207-D269 IonicContact NH1-OD2 2.73Å; R207-D269 IonicContact NH2-OD1 3.93Å; D267-D269 PolarHBondContact O-N 2.8Å; D267-D269 VanDerWaalsContact O-N 3.11Å; D267-D269 WeakPolarHBondContact OD2-CB 3.5Å; D267-D269 PolarHBondContact OD2-N 3.28Å |
| 270 | T | 85 | Confident | 89.2 | Confident | 25 Ų | 25 | 29.2 Ų | 29.2 | 15% | 0.153 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -134.2 | 29.9 | -175.3 | 54.5 | 0 | 0 | 0 | 0 | 112.3 | I192 D267 P268 E272 Y273 | I192-T270 HydrophobicContact CG2-CG2 4.42Å; D267-T270 PolarHBondContact N-OG1 2.83Å; D267-T270 CarbonylContact O-C 3.6Å; D267-T270 WeakPolarHBondContact O-CA 3.3Å; D267-T270 PolarHBondContact O-N 3.4Å; D267-T270 PolarHBondContact O-OG1 2.85Å; D267-T270 PolarHBondContact OD2-N 2.84Å; D267-T270 PolarHBondContact OD2-OG1 3.31Å; P268-T270 VanDerWaalsContact C-N 3.29Å; T270-E272 PolarHBondContact O-N 3.04Å; T270-E272 VanDerWaalsContact O-N 3.11Å; T270-Y273 HydrophobicContact CG2-CD2 4.42Å; T270-Y273 WeakPolarHBondContact O-CB 3.38Å; T270-Y273 WeakPolarHBondContact O-CD2 3.46Å; T270-Y273 PolarHBondContact O-N 3.13Å |
| 271 | A | 85.6 | Confident | 88.6 | Confident | 48 Ų | 48 | 34.6 Ų | 34.6 | 40% | 0.397 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -19.4 | -167.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | D267 Y273 A297 | D267-A271 VanDerWaalsContact O-CA 3.29Å; D267-A271 WeakPolarHBondContact O-CA 3.29Å; D267-A271 PolarHBondContact O-N 3.22Å; A271-Y273 VanDerWaalsContact C-N 3.28Å; A271-A297 VanDerWaalsContact O-CB 3.23Å; A271-A297 WeakPolarHBondContact O-CB 3.44Å |
| 272 | E | 90.8 | Very high | 88.1 | Confident | 53 Ų | 53 | 39 Ų | 39 | 25% | 0.248 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -9.1 | 173.8 | 66.8 | -169.8 | 157.9 | 0 | 0 | 114 | K203 T270 C292 | K203-E272 WeakPolarHBondContact CB-OE1 3.1Å; K203-E272 VanDerWaalsContact CD-CD 3.43Å; K203-E272 WeakPolarHBondContact CD-OE1 3.27Å; K203-E272 WeakPolarHBondContact CD-OE2 3.29Å; K203-E272 WeakPolarHBondContact CE-OE2 3.38Å; K203-E272 IonicContact NZ-OE2 2.64Å; K203-E272 PolarHBondContact NZ-OE2 3.13Å; T270-E272 PolarHBondContact O-N 3.04Å; T270-E272 VanDerWaalsContact O-N 3.11Å; E272-C292 WeakPolarHBondContact O-CB 3.3Å; E272-C292 PolarHBondContact O-N 3.39Å |
| 273 | Y | 92.8 | Very high | 87.4 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 136.6 | -179.3 | -64.2 | -88.2 | 0 | 0 | 0 | 112 | M167 I192 C196 K203 G204 G265 G266 T270 A271 I289 L290 E291 | M167-Y273 HydrophobicContact CE-CE1 4.49Å; M167-Y273 HydrophobicContact CG-CD1 4.38Å; M167-Y273 HydrophobicContact CG-CE1 4.15Å; I192-Y273 HydrophobicContact CG2-CD1 4.26Å; I192-Y273 HydrophobicContact CG2-CD2 4.28Å; I192-Y273 HydrophobicContact CG2-CG 3.88Å; C196-Y273 VanDerWaalsContact SG-CE1 3.6Å; C196-Y273 VanDerWaalsContact SG-CZ 3.6Å; K203-Y273 PolarHBondContact N-OH 3.4Å; G204-Y273 PolarHBondContact N-OH 3.16Å; G265-Y273 CarbonylContact C-O 3.53Å; G265-Y273 WeakPolarHBondContact CA-O 3.45Å; G266-Y273 PolarHBondContact N-O 3.03Å; T270-Y273 HydrophobicContact CG2-CD2 4.42Å; T270-Y273 WeakPolarHBondContact O-CB 3.38Å; T270-Y273 WeakPolarHBondContact O-CD2 3.46Å; T270-Y273 PolarHBondContact O-N 3.13Å; A271-Y273 VanDerWaalsContact C-N 3.28Å; Y273-I289 HydrophobicContact CD1-CG2 4.29Å; Y273-L290 CarbonylContact C-O 3.51Å; Y273-L290 VanDerWaalsContact CA-O 3.3Å; Y273-L290 WeakPolarHBondContact CA-O 3.24Å; Y273-E291 HydrophobicContact CD1-CB 4.11Å; Y273-E291 HydrophobicContact CE1-CB 3.79Å; Y273-E291 HydrophobicContact CE1-CG 4.23Å |
| 274 | V | 94.3 | Very high | 87 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 130 | 173.1 | -177.9 | 0 | 0 | 0 | 0 | 109.2 | I289 L290 A297 V300 I301 | V274-I289 WeakPolarHBondContact O-CA 3.44Å; V274-L290 HydrophobicContact CB-CB 4.43Å; V274-L290 PolarHBondContact N-O 2.97Å; V274-L290 PolarHBondContact O-N 3.12Å; V274-A297 HydrophobicContact CG2-CB 3.66Å; V274-V300 HydrophobicContact CG1-CG1 4.31Å; V274-V300 HydrophobicContact CG2-CG1 4.43Å; V274-I301 HydrophobicContact CG1-CG1 3.79Å; V274-I301 HydrophobicContact CG2-CD1 4.11Å; V274-I301 HydrophobicContact CG2-CG1 3.99Å |
| 275 | A | 94.8 | Very high | 87 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 130.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111 | T188 I192 A263 S264 H288 I289 | T188-A275 HydrophobicContact CG2-CB 4.01Å; I192-A275 HydrophobicContact CD1-CB 3.96Å; I192-A275 HydrophobicContact CG1-CB 4.09Å; A263-A275 CarbonylContact C-O 3.59Å; A263-A275 WeakPolarHBondContact CA-O 3.1Å; S264-A275 PolarHBondContact N-O 3.23Å; S264-A275 PolarHBondContact O-N 3.33Å; S264-A275 VanDerWaalsContact O-O 3.09Å; A275-H288 WeakPolarHBondContact CA-O 3.37Å; A275-I289 HydrophobicContact CB-CG1 4.18Å |
| 276 | Y | 94.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 145.7 | 175.6 | 70.4 | -83.7 | 0 | 0 | 0 | 111.9 | L241 L243 H255 I260 F262 A278 C287 H288 L290 | L241-Y276 HydrophobicContact CD1-CD2 4.29Å; L241-Y276 HydrophobicContact CD1-CE2 4.19Å; L243-Y276 WeakPolarHBondContact CD1-OH 3.2Å; L243-Y276 WeakPolarHBondContact CD2-OH 3.24Å; H255-Y276 HydrophobicContact CB-CE2 4.4Å; H255-Y276 PolarHBondContact CE1-OH 3.44Å; H255-Y276 AromaticContact ND1-CE2 3.43Å; H255-Y276 WeakPolarHBondContact ND1-CE2 3.41Å; H255-Y276 AromaticContact ND1-CZ 3.56Å; H255-Y276 PolarHBondContact ND1-OH 2.91Å; I260-Y276 HydrophobicContact CG1-CD2 4.42Å; I260-Y276 HydrophobicContact CG2-CD2 4.22Å; F262-Y276 CarbonylContact O-C 3.47Å; F262-Y276 WeakPolarHBondContact O-CA 3.2Å; Y276-A278 HydrophobicContact CD2-CB 4.23Å; Y276-A278 HydrophobicContact CE2-CB 4.03Å; Y276-C287 CarbonylContact O-C 3.11Å; Y276-C287 WeakPolarHBondContact O-CA 3.43Å; Y276-H288 HydrophobicContact CD1-CB 4.18Å; Y276-H288 HydrophobicContact CE1-CB 3.59Å; Y276-H288 HydrophobicContact CE2-CB 3.98Å; Y276-H288 VanDerWaalsContact CZ-CB 3.47Å; Y276-H288 AromaticContact CZ-CG 4Å; Y276-H288 PolarHBondContact N-O 3.42Å; Y276-H288 PolarHBondContact O-N 2.9Å; Y276-L290 HydrophobicContact CE1-CD1 4.07Å; Y276-L290 HydrophobicContact CE1-CG 4.3Å |
| 277 | V | 93.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 103.9 | -175.4 | -174.3 | 0 | 0 | 0 | 0 | 110.6 | V172 M176 I260 S261 F262 R285 A286 C287 | V172-V277 HydrophobicContact CG2-CG1 4.28Å; M176-V277 HydrophobicContact CE-CG2 3.89Å; M176-V277 HydrophobicContact CG-CB 3.99Å; M176-V277 HydrophobicContact CG-CG1 3.79Å; M176-V277 HydrophobicContact CG-CG2 4.02Å; M176-V277 HydrophobicContact SD-CG2 4.16Å; I260-V277 WeakPolarHBondContact CA-O 3.33Å; S261-V277 PolarHBondContact N-O 3.43Å; S261-V277 PolarHBondContact OG-O 2.87Å; F262-V277 HydrophobicContact CB-CB 4.42Å; F262-V277 HydrophobicContact CB-CG2 4.42Å; F262-V277 PolarHBondContact O-N 2.84Å; V277-R285 HydrophobicContact CG1-CG 4Å; V277-A286 CarbonylContact C-O 3.59Å; V277-A286 WeakPolarHBondContact CA-O 3.44Å; V277-C287 HydrophobicContact CG2-CB 3.96Å |
| 278 | A | 93.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 175.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | H255 S259 I260 Y276 R285 A286 | H255-A278 HydrophobicContact CB-CB 4.09Å; S259-A278 CarbonylContact O-C 3.6Å; I260-A278 HydrophobicContact CG1-CB 4.09Å; Y276-A278 HydrophobicContact CD2-CB 4.23Å; Y276-A278 HydrophobicContact CE2-CB 4.03Å; A278-R285 WeakPolarHBondContact O-CA 3.34Å; A278-A286 PolarHBondContact N-O 3.31Å; A278-A286 PolarHBondContact O-N 2.93Å; A278-A286 VanDerWaalsContact O-N 3.12Å |
| 279 | K | 90.4 | Very high | 88.7 | Confident | 114 Ų | 114 | 37.7 Ų | 37.7 | 50% | 0.496 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 113.6 | 162.3 | -171.9 | -175.3 | 177.7 | -177.1 | 0 | 110.1 | S259 Q284 | S259-K279 WeakPolarHBondContact CB-O 3.26Å; S259-K279 PolarHBondContact O-N 2.85Å; K279-Q284 CarbonylContact C-O 3.56Å; K279-Q284 VanDerWaalsContact CA-O 3.29Å; K279-Q284 WeakPolarHBondContact CA-O 3.5Å; K279-Q284 VanDerWaalsContact CE-OE1 3.3Å |
| 280 | D | 81.8 | Confident | 89.3 | Confident | 15 Ų | 15 | 33.2 Ų | 33.2 | 8% | 0.08 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 156.4 | 168.7 | -87.9 | -37.9 | 0 | 0 | 0 | 111.5 | H255 V282 N283 Q284 H288 | H255-D280 IonicContact CD2-OD1 2.7Å; H255-D280 PolarHBondContact CD2-OD1 2.91Å; H255-D280 IonicContact CD2-OD2 3.99Å; H255-D280 IonicContact NE2-OD1 3.14Å; H255-D280 PolarHBondContact NE2-OD1 3.09Å; H255-D280 IonicContact NE2-OD2 3.33Å; H255-D280 PolarHBondContact NE2-OD2 3.39Å; D280-V282 VanDerWaalsContact C-N 3.27Å; D280-N283 HydrophobicContact CB-CB 3.97Å; D280-N283 PolarHBondContact OD2-ND2 3.07Å; D280-Q284 PolarHBondContact N-O 2.85Å; D280-Q284 VanDerWaalsContact O-CA 3.28Å; D280-Q284 WeakPolarHBondContact O-CA 3.21Å; D280-Q284 PolarHBondContact O-N 2.77Å; D280-H288 IonicContact OD2-CE1 3.21Å; D280-H288 PolarHBondContact OD2-CE1 3.16Å; D280-H288 IonicContact OD2-NE2 2.75Å |
| 281 | P | 78.4 | Confident | 89.7 | Confident | 116 Ų | 116 | 32.5 Ų | 32.5 | 75% | 0.753 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -28.2 | 162.5 | 28.7 | -32.7 | 0 | 0 | 0 | 112.3 | ||
| 282 | V | 78.3 | Confident | 90 | Very high | 119 Ų | 119 | 30.2 Ų | 30.2 | 72% | 0.721 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -49.5 | -177.7 | -178.6 | 0 | 0 | 0 | 0 | 112.5 | D280 | D280-V282 VanDerWaalsContact C-N 3.27Š|
| 283 | N | 75.5 | Confident | 89.8 | Confident | 36 Ų | 36 | 29.8 Ų | 29.8 | 19% | 0.193 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 4.9 | -174.8 | -55.2 | -63.9 | 0 | 0 | 0 | 113.5 | N224 D280 R285 A286 | N224-N283 PolarHBondContact ND2-OD1 2.79Å; D280-N283 HydrophobicContact CB-CB 3.97Å; D280-N283 PolarHBondContact OD2-ND2 3.07Å; N283-R285 PolarHBondContact O-N 3.31Å; N283-A286 HydrophobicContact CB-CB 4.01Å |
| 284 | Q | 83.7 | Confident | 89.1 | Confident | 103 Ų | 103 | 38.7 Ų | 38.7 | 48% | 0.481 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 47.6 | -136 | -166.5 | -66.6 | -61.7 | -27.6 | 0 | 0 | 111 | K279 D280 | K279-Q284 CarbonylContact C-O 3.56Å; K279-Q284 VanDerWaalsContact CA-O 3.29Å; K279-Q284 WeakPolarHBondContact CA-O 3.5Å; K279-Q284 VanDerWaalsContact CE-OE1 3.3Å; D280-Q284 PolarHBondContact N-O 2.85Å; D280-Q284 VanDerWaalsContact O-CA 3.28Å; D280-Q284 WeakPolarHBondContact O-CA 3.21Å; D280-Q284 PolarHBondContact O-N 2.77Å |
| 285 | R | 91.9 | Very high | 88.5 | Confident | 65 Ų | 65 | 41.2 Ų | 41.2 | 25% | 0.245 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 117.1 | 173.4 | 179.3 | -174.8 | -71.1 | -74.5 | -0.7 | 108.5 | V172 Q174 S261 V277 A278 N283 | V172-R285 HydrophobicContact CB-CG 4.12Å; V172-R285 PolarHBondContact N-O 3.33Å; V172-R285 WeakPolarHBondContact O-CB 3.38Å; V172-R285 VanDerWaalsContact O-CD 3.24Å; V172-R285 WeakPolarHBondContact O-CD 3.4Å; V172-R285 WeakPolarHBondContact O-CG 3.35Å; Q174-R285 VanDerWaalsContact O-CD 3.29Å; Q174-R285 WeakPolarHBondContact O-CD 3.48Å; S261-R285 PolarHBondContact OG-NH1 3.09Å; V277-R285 HydrophobicContact CG1-CG 4Å; A278-R285 WeakPolarHBondContact O-CA 3.34Å; N283-R285 PolarHBondContact O-N 3.31Å |
| 286 | A | 93.3 | Very high | 88.3 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.008 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 148.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | C169 V170 V277 A278 N283 H288 | C169-A286 HydrophobicContact CB-CB 4.15Å; V170-A286 CarbonylContact O-C 3.49Å; V170-A286 WeakPolarHBondContact O-CA 3.32Å; V277-A286 CarbonylContact C-O 3.59Å; V277-A286 WeakPolarHBondContact CA-O 3.44Å; A278-A286 PolarHBondContact N-O 3.31Å; A278-A286 PolarHBondContact O-N 2.93Å; A278-A286 VanDerWaalsContact O-N 3.12Å; N283-A286 HydrophobicContact CB-CB 4.01Å; A286-H288 PolarHBondContact O-CD2 3.46Å |
| 287 | C | 93.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 111 | 167.6 | -172.5 | 0 | 0 | 0 | 0 | 108.5 | C169 V170 V172 A191 Y276 V277 | C169-C287 CarbonylContact C-O 3.56Å; C169-C287 WeakPolarHBondContact CA-O 3.46Å; C169-C287 WeakPolarHBondContact CB-O 3.22Å; V170-C287 PolarHBondContact N-O 3.15Å; V170-C287 PolarHBondContact O-N 3.01Å; V172-C287 HydrophobicContact CG2-CB 3.79Å; A191-C287 HydrophobicContact CB-CB 4.38Å; Y276-C287 CarbonylContact O-C 3.11Å; Y276-C287 WeakPolarHBondContact O-CA 3.43Å; V277-C287 HydrophobicContact CG2-CB 3.96Å |
| 288 | H | 93.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 136.7 | 176.8 | -61.2 | -96.7 | 0 | 0 | 0 | 109.1 | Y166 C169 H255 A275 Y276 D280 A286 | Y166-H288 HydrophobicContact CE2-CB 4.28Å; Y166-H288 AromaticContact CZ-ND1 3.93Å; Y166-H288 PolarHBondContact OH-ND1 2.79Å; C169-H288 HydrophobicContact CB-CB 4.33Å; C169-H288 WeakPolarHBondContact CB-ND1 3.45Å; H255-H288 AromaticContact CE1-CD2 3.62Å; H255-H288 AromaticContact CE1-CE1 2.98Å; H255-H288 PolarHBondContact CE1-CE1 2.93Å; H255-H288 AromaticContact CE1-CG 3.27Å; H255-H288 AromaticContact CE1-ND1 2.84Å; H255-H288 PolarHBondContact CE1-ND1 2.87Å; H255-H288 AromaticContact CE1-NE2 3.47Å; H255-H288 PolarHBondContact CE1-NE2 3.27Å; H255-H288 AromaticContact NE2-CD2 3.98Å; H255-H288 AromaticContact NE2-CE1 2.92Å; H255-H288 PolarHBondContact NE2-CE1 2.78Å; H255-H288 AromaticContact NE2-ND1 3.81Å; H255-H288 AromaticContact NE2-NE2 3.04Å; H255-H288 PolarHBondContact NE2-NE2 2.83Å; A275-H288 WeakPolarHBondContact CA-O 3.37Å; Y276-H288 HydrophobicContact CD1-CB 4.18Å; Y276-H288 HydrophobicContact CE1-CB 3.59Å; Y276-H288 HydrophobicContact CE2-CB 3.98Å; Y276-H288 VanDerWaalsContact CZ-CB 3.47Å; Y276-H288 AromaticContact CZ-CG 4Å; Y276-H288 PolarHBondContact N-O 3.42Å; Y276-H288 PolarHBondContact O-N 2.9Å; D280-H288 IonicContact OD2-CE1 3.21Å; D280-H288 PolarHBondContact OD2-CE1 3.16Å; D280-H288 IonicContact OD2-NE2 2.75Å; A286-H288 PolarHBondContact O-CD2 3.46Å |
| 289 | I | 94.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 133.8 | -171.7 | -63.2 | 142.9 | 0 | 0 | 0 | 109.7 | M167 G168 V170 A191 I192 V195 Y273 V274 A275 | M167-I289 HydrophobicContact CB-CB 4.24Å; M167-I289 HydrophobicContact CB-CG2 3.97Å; M167-I289 WeakPolarHBondContact CB-O 3.49Å; M167-I289 HydrophobicContact CG-CG2 4.27Å; M167-I289 PolarHBondContact N-O 2.66Å; G168-I289 PolarHBondContact O-N 2.74Å; G168-I289 VanDerWaalsContact O-N 3.09Å; V170-I289 HydrophobicContact CG2-CD1 4.23Å; A191-I289 VanDerWaalsContact C-CD1 3.5Å; A191-I289 HydrophobicContact CB-CD1 3.96Å; A191-I289 VanDerWaalsContact O-CD1 3.3Å; A191-I289 WeakPolarHBondContact O-CD1 3.49Å; I192-I289 HydrophobicContact CG1-CG1 4.18Å; I192-I289 HydrophobicContact CG1-CG2 3.97Å; V195-I289 HydrophobicContact CB-CD1 4.41Å; V195-I289 HydrophobicContact CG1-CD1 3.75Å; V195-I289 HydrophobicContact CG2-CB 4.12Å; V195-I289 HydrophobicContact CG2-CD1 3.71Å; V195-I289 HydrophobicContact CG2-CG1 4.47Å; V195-I289 HydrophobicContact CG2-CG2 3.84Å; Y273-I289 HydrophobicContact CD1-CG2 4.29Å; V274-I289 WeakPolarHBondContact O-CA 3.44Å; A275-I289 HydrophobicContact CB-CG1 4.18Å |
| 290 | L | 94.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 136 | -177.4 | -54.1 | 176.3 | 0 | 0 | 0 | 109.1 | V164 R165 Y166 I232 L234 L243 Y273 V274 Y276 | V164-L290 HydrophobicContact CG2-CB 4.49Å; V164-L290 HydrophobicContact CG2-CD1 4.33Å; V164-L290 HydrophobicContact CG2-CD2 4.26Å; R165-L290 CarbonylContact O-C 3.54Å; R165-L290 WeakPolarHBondContact O-CA 3.28Å; Y166-L290 HydrophobicContact CD2-CD2 3.73Å; Y166-L290 HydrophobicContact CE2-CD2 4.48Å; I232-L290 HydrophobicContact CD1-CD2 4.03Å; L234-L290 HydrophobicContact CD1-CD1 4.31Å; L234-L290 HydrophobicContact CD2-CD1 3.81Å; L243-L290 HydrophobicContact CD2-CD2 4.45Å; Y273-L290 CarbonylContact C-O 3.51Å; Y273-L290 VanDerWaalsContact CA-O 3.3Å; Y273-L290 WeakPolarHBondContact CA-O 3.24Å; V274-L290 HydrophobicContact CB-CB 4.43Å; V274-L290 PolarHBondContact N-O 2.97Å; V274-L290 PolarHBondContact O-N 3.12Å; Y276-L290 HydrophobicContact CE1-CD1 4.07Å; Y276-L290 HydrophobicContact CE1-CG 4.3Å |
| 291 | E | 93.5 | Very high | 88.4 | Confident | 10 Ų | 10 | 43.6 Ų | 43.6 | 5% | 0.047 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 118.5 | 163.4 | 171.6 | -165.5 | -129.9 | 0 | 0 | 107.7 | R165 M167 K203 Y273 | R165-E291 HydrophobicContact CB-CB 4.18Å; R165-E291 VanDerWaalsContact CD-OE2 3.29Å; R165-E291 WeakPolarHBondContact CD-OE2 3.3Å; R165-E291 IonicContact CZ-OE2 3.76Å; R165-E291 PolarHBondContact N-O 2.84Å; R165-E291 IonicContact NE-OE2 2.74Å; R165-E291 PolarHBondContact NE-OE2 2.76Å; R165-E291 IonicContact NH2-OE2 3.72Å; R165-E291 PolarHBondContact O-N 2.83Å; M167-E291 HydrophobicContact CG-CB 4.02Å; M167-E291 HydrophobicContact SD-CB 3.91Å; K203-E291 VanDerWaalsContact CD-OE1 3.31Å; K203-E291 WeakPolarHBondContact CD-OE1 3.33Å; K203-E291 WeakPolarHBondContact CE-OE1 3.36Å; K203-E291 IonicContact NZ-OE1 3.31Å; K203-E291 PolarHBondContact NZ-OE1 3.39Å; Y273-E291 HydrophobicContact CD1-CB 4.11Å; Y273-E291 HydrophobicContact CE1-CB 3.79Å; Y273-E291 HydrophobicContact CE1-CG 4.23Å |
| 292 | C | 91.7 | Very high | 89 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -107.6 | 108.5 | 179.6 | -64.8 | 0 | 0 | 0 | 0 | 109.2 | V164 E272 L296 A297 | V164-C292 HydrophobicContact CG1-CB 4.32Å; V164-C292 VanDerWaalsContact CG1-SG 3.54Å; E272-C292 WeakPolarHBondContact O-CB 3.3Å; E272-C292 PolarHBondContact O-N 3.39Å; C292-L296 HydrophobicContact CB-CB 4.19Å; C292-A297 HydrophobicContact CB-CB 3.99Å | ||
| 293 | P | 86.4 | Confident | 89.7 | Confident | 45 Ų | 45 | 32.9 Ų | 32.9 | 29% | 0.292 | 18% | 0.175 | S | C | . | . | G | 310 helix | trans | -64.5 | 167.1 | 176.3 | 28.8 | -34.7 | 0 | 0 | 0 | 112 | G295 L296 | P293-G295 PolarHBondContact O-N 2.86Å; P293-L296 WeakPolarHBondContact O-CB 3.29Å; P293-L296 VanDerWaalsContact O-CG 3.31Å; P293-L296 WeakPolarHBondContact O-CG 3.32Å; P293-L296 PolarHBondContact O-N 2.84Å; P293-L296 VanDerWaalsContact O-N 3.1Å |
| 294 | E | 79.4 | Confident | 90.5 | Very high | 189 Ų | 189 | 31.2 Ų | 31.2 | 88% | 0.883 | 17% | 0.166 | S | C | * | . | G | 310 helix | trans | 57.7 | 26.6 | 164.9 | -65.4 | 165.8 | -157.2 | 0 | 0 | 115.5 | L296 | E294-L296 PolarHBondContact O-N 3.08Š|
| 295 | G | 81.9 | Confident | 90.8 | Very high | 53 Ų | 53 | 26.6 Ų | 26.6 | 55% | 0.546 | 15% | 0.146 | S | C | . | . | G | 310 helix | trans | 79.5 | -0.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | P293 A297 Q298 | P293-G295 PolarHBondContact O-N 2.86Å; G295-A297 PolarHBondContact O-N 3.29Å; G295-Q298 PolarHBondContact O-N 3.4Å |
| 296 | L | 89.4 | Confident | 90.7 | Very high | 46 Ų | 46 | 23.6 Ų | 23.6 | 24% | 0.241 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.8 | -11.7 | -179.4 | -65 | 171.8 | 0 | 0 | 0 | 114.1 | Y162 C292 P293 E294 Q298 D299 V300 | Y162-L296 HydrophobicContact CD1-CD2 4.36Å; Y162-L296 HydrophobicContact CE1-CD2 4.35Å; C292-L296 HydrophobicContact CB-CB 4.19Å; P293-L296 WeakPolarHBondContact O-CB 3.29Å; P293-L296 VanDerWaalsContact O-CG 3.31Å; P293-L296 WeakPolarHBondContact O-CG 3.32Å; P293-L296 PolarHBondContact O-N 2.84Å; P293-L296 VanDerWaalsContact O-N 3.1Å; E294-L296 PolarHBondContact O-N 3.08Å; L296-Q298 VanDerWaalsContact C-N 3.34Å; L296-Q298 PolarHBondContact O-N 2.74Å; L296-D299 PolarHBondContact O-N 2.83Å; L296-V300 WeakPolarHBondContact O-CB 3.41Å; L296-V300 VanDerWaalsContact O-CG2 3.28Å; L296-V300 WeakPolarHBondContact O-CG2 3.36Å; L296-V300 PolarHBondContact O-N 3.12Å |
| 297 | A | 90.4 | Very high | 90.6 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.008 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -53.2 | -47.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A271 V274 C292 G295 V300 I301 | A271-A297 VanDerWaalsContact O-CB 3.23Å; A271-A297 WeakPolarHBondContact O-CB 3.44Å; V274-A297 HydrophobicContact CG2-CB 3.66Å; C292-A297 HydrophobicContact CB-CB 3.99Å; G295-A297 PolarHBondContact O-N 3.29Å; A297-V300 PolarHBondContact O-N 3.35Å; A297-I301 VanDerWaalsContact O-CD1 3.27Å; A297-I301 WeakPolarHBondContact O-CD1 3.45Å; A297-I301 WeakPolarHBondContact O-CG1 3.31Å; A297-I301 PolarHBondContact O-N 3.25Å |
| 298 | Q | 89.2 | Confident | 90.5 | Very high | 60 Ų | 60 | 26 Ų | 26 | 28% | 0.28 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -67.2 | -38.6 | -179.7 | -73.5 | -70.6 | 0.7 | 0 | 0 | 112.3 | T56 G295 L296 S302 | T56-Q298 PolarHBondContact O-NE2 2.79Å; T56-Q298 PolarHBondContact OG1-NE2 1.88Å; G295-Q298 PolarHBondContact O-N 3.4Å; L296-Q298 VanDerWaalsContact C-N 3.34Å; L296-Q298 PolarHBondContact O-N 2.74Å; Q298-S302 VanDerWaalsContact O-CB 3.23Å; Q298-S302 WeakPolarHBondContact O-CB 3.44Å; Q298-S302 PolarHBondContact O-N 2.81Å; Q298-S302 PolarHBondContact O-OG 2.81Å |
| 299 | D | 91.1 | Very high | 90.3 | Very high | 54 Ų | 54 | 26.9 Ų | 26.9 | 29% | 0.289 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -64.8 | -43.2 | 176 | -75 | 18.9 | 0 | 0 | 0 | 112 | L149 Y162 L296 S302 T303 | L149-D299 HydrophobicContact CD2-CB 4.11Å; L149-D299 VanDerWaalsContact CD2-OD1 3.31Å; L149-D299 WeakPolarHBondContact CD2-OD1 3.43Å; L149-D299 WeakPolarHBondContact CD2-OD2 3.36Å; Y162-D299 HydrophobicContact CE1-CB 3.94Å; Y162-D299 PolarHBondContact OH-O 2.57Å; L296-D299 PolarHBondContact O-N 2.83Å; D299-S302 PolarHBondContact O-N 2.93Å; D299-T303 VanDerWaalsContact O-CB 3.29Å; D299-T303 WeakPolarHBondContact O-CB 3.43Å; D299-T303 PolarHBondContact O-N 3.02Å; D299-T303 PolarHBondContact O-OG1 3.24Å |
| 300 | V | 92.8 | Very high | 90 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.3 | -48.2 | 176.4 | 168 | 0 | 0 | 0 | 0 | 110.5 | Y162 L234 V274 L296 A297 S302 T303 I304 | Y162-V300 HydrophobicContact CD1-CG2 3.66Å; Y162-V300 HydrophobicContact CD2-CG2 3.83Å; Y162-V300 HydrophobicContact CE1-CG2 3.94Å; Y162-V300 HydrophobicContact CE2-CG2 4.1Å; Y162-V300 HydrophobicContact CG-CG2 3.59Å; L234-V300 HydrophobicContact CD2-CG1 3.67Å; L234-V300 HydrophobicContact CD2-CG2 4.4Å; V274-V300 HydrophobicContact CG1-CG1 4.31Å; V274-V300 HydrophobicContact CG2-CG1 4.43Å; L296-V300 WeakPolarHBondContact O-CB 3.41Å; L296-V300 VanDerWaalsContact O-CG2 3.28Å; L296-V300 WeakPolarHBondContact O-CG2 3.36Å; L296-V300 PolarHBondContact O-N 3.12Å; A297-V300 PolarHBondContact O-N 3.35Å; V300-S302 VanDerWaalsContact C-N 3.35Å; V300-S302 PolarHBondContact O-N 3.18Å; V300-T303 PolarHBondContact O-N 3.04Å; V300-I304 HydrophobicContact CG1-CD1 3.71Å; V300-I304 HydrophobicContact CG1-CG1 4.46Å; V300-I304 WeakPolarHBondContact O-CB 3.49Å; V300-I304 VanDerWaalsContact O-CG1 3.23Å; V300-I304 WeakPolarHBondContact O-CG1 3.31Å; V300-I304 PolarHBondContact O-N 3.47Å |
| 301 | I | 92.6 | Very high | 89.6 | Confident | 17 Ų | 17 | 30.4 Ų | 30.4 | 9% | 0.087 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.2 | -46.8 | 176.5 | -66.3 | 158 | 0 | 0 | 0 | 110.6 | L58 G265 V274 A297 T303 I304 G305 | L58-I301 HydrophobicContact CD1-CG2 3.92Å; G265-I301 VanDerWaalsContact CA-CD1 3.43Å; V274-I301 HydrophobicContact CG1-CG1 3.79Å; V274-I301 HydrophobicContact CG2-CD1 4.11Å; V274-I301 HydrophobicContact CG2-CG1 3.99Å; A297-I301 VanDerWaalsContact O-CD1 3.27Å; A297-I301 WeakPolarHBondContact O-CD1 3.45Å; A297-I301 WeakPolarHBondContact O-CG1 3.31Å; A297-I301 PolarHBondContact O-N 3.25Å; I301-T303 PolarHBondContact O-N 3.1Å; I301-I304 PolarHBondContact O-N 2.92Å; I301-G305 PolarHBondContact O-N 3.25Å |
| 302 | S | 91.1 | Very high | 89.1 | Confident | 10 Ų | 10 | 34.7 Ų | 34.7 | 7% | 0.07 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.6 | -40.9 | 179.6 | -62.8 | 0 | 0 | 0 | 0 | 112 | W148 Q298 D299 V300 G305 Q306 | W148-S302 WeakPolarHBondContact CZ3-O 3.44Å; Q298-S302 VanDerWaalsContact O-CB 3.23Å; Q298-S302 WeakPolarHBondContact O-CB 3.44Å; Q298-S302 PolarHBondContact O-N 2.81Å; Q298-S302 PolarHBondContact O-OG 2.81Å; D299-S302 PolarHBondContact O-N 2.93Å; V300-S302 VanDerWaalsContact C-N 3.35Å; V300-S302 PolarHBondContact O-N 3.18Å; S302-G305 CarbonylContact O-C 3.52Å; S302-G305 PolarHBondContact O-N 3.48Å; S302-Q306 PolarHBondContact O-N 2.77Å |
| 303 | T | 92.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -75 | -35.2 | -179 | -53.7 | 0 | 0 | 0 | 0 | 112 | H150 V155 V160 Y162 V236 D299 V300 I301 G305 Q306 A307 | H150-T303 PolarHBondContact CD2-OG1 3.01Å; V155-T303 HydrophobicContact CG2-CG2 4.42Å; V160-T303 HydrophobicContact CB-CG2 4.03Å; V160-T303 HydrophobicContact CG2-CG2 3.91Å; Y162-T303 HydrophobicContact CE2-CG2 4.43Å; Y162-T303 PolarHBondContact OH-OG1 3.03Å; V236-T303 HydrophobicContact CB-CG2 4.21Å; V236-T303 HydrophobicContact CG1-CG2 3.93Å; D299-T303 VanDerWaalsContact O-CB 3.29Å; D299-T303 WeakPolarHBondContact O-CB 3.43Å; D299-T303 PolarHBondContact O-N 3.02Å; D299-T303 PolarHBondContact O-OG1 3.24Å; V300-T303 PolarHBondContact O-N 3.04Å; I301-T303 PolarHBondContact O-N 3.1Å; T303-G305 VanDerWaalsContact C-N 3.31Å; T303-Q306 PolarHBondContact O-N 2.98Å; T303-A307 WeakPolarHBondContact O-CB 3.16Å; T303-A307 PolarHBondContact O-N 3.36Å |
| 304 | I | 92.5 | Very high | 88.5 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61 | -43.7 | 168 | -69.1 | 167.4 | 0 | 0 | 0 | 109.7 | V236 L241 V300 I301 A307 F308 | V236-I304 HydrophobicContact CG1-CG1 4.03Å; V236-I304 HydrophobicContact CG2-CG1 4.15Å; L241-I304 HydrophobicContact CD1-CD1 3.99Å; L241-I304 HydrophobicContact CD1-CG1 4.15Å; L241-I304 HydrophobicContact CD2-CG1 4.08Å; V300-I304 HydrophobicContact CG1-CD1 3.71Å; V300-I304 HydrophobicContact CG1-CG1 4.46Å; V300-I304 WeakPolarHBondContact O-CB 3.49Å; V300-I304 VanDerWaalsContact O-CG1 3.23Å; V300-I304 WeakPolarHBondContact O-CG1 3.31Å; V300-I304 PolarHBondContact O-N 3.47Å; I301-I304 PolarHBondContact O-N 2.92Å; I304-A307 PolarHBondContact O-N 3.23Å; I304-F308 HydrophobicContact CG2-CD2 3.89Å; I304-F308 HydrophobicContact CG2-CE2 3.83Å; I304-F308 WeakPolarHBondContact O-CD2 3.49Å; I304-F308 PolarHBondContact O-N 3.16Å |
| 305 | G | 91.5 | Very high | 88.5 | Confident | 6 Ų | 6 | 36.8 Ų | 36.8 | 6% | 0.062 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.4 | -44 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | I301 S302 T303 F308 E309 | I301-G305 PolarHBondContact O-N 3.25Å; S302-G305 CarbonylContact O-C 3.52Å; S302-G305 PolarHBondContact O-N 3.48Å; T303-G305 VanDerWaalsContact C-N 3.31Å; G305-F308 WeakPolarHBondContact O-CB 3.43Å; G305-F308 PolarHBondContact O-N 3.37Å; G305-E309 PolarHBondContact O-N 2.93Å |
| 306 | Q | 89.4 | Confident | 88.4 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.4 | -45.1 | 174 | -174 | 179.8 | 6.6 | 0 | 0 | 111.6 | W148 H150 N152 S302 T303 F308 E309 L310 | W148-Q306 HydrophobicContact CB-CG 4.3Å; W148-Q306 HydrophobicContact CD2-CB 3.77Å; W148-Q306 HydrophobicContact CD2-CG 3.77Å; W148-Q306 HydrophobicContact CE3-CB 3.75Å; W148-Q306 HydrophobicContact CE3-CG 4.26Å; W148-Q306 HydrophobicContact CG-CB 4.29Å; W148-Q306 HydrophobicContact CG-CG 3.79Å; W148-Q306 HydrophobicContact CH2-CB 4.26Å; W148-Q306 HydrophobicContact CZ2-CB 4.26Å; W148-Q306 HydrophobicContact CZ3-CB 4.01Å; H150-Q306 PolarHBondContact O-NE2 2.71Å; H150-Q306 PolarHBondContact O-OE1 2.97Å; N152-Q306 PolarHBondContact OD1-NE2 2.93Å; S302-Q306 PolarHBondContact O-N 2.77Å; T303-Q306 PolarHBondContact O-N 2.98Å; Q306-F308 VanDerWaalsContact C-N 3.3Å; Q306-F308 PolarHBondContact O-N 3.37Å; Q306-E309 PolarHBondContact O-N 3.1Å; Q306-E309 VanDerWaalsContact O-N 3.15Å; Q306-L310 HydrophobicContact CG-CD1 3.9Å; Q306-L310 HydrophobicContact CG-CG 4.35Å; Q306-L310 WeakPolarHBondContact O-CB 3.31Å; Q306-L310 WeakPolarHBondContact O-CG 3.24Å; Q306-L310 PolarHBondContact O-N 3.37Å |
| 307 | A | 91.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.1 | -38.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V155 V236 M257 T303 I304 R311 | V155-A307 HydrophobicContact CG1-CB 3.67Å; V236-A307 HydrophobicContact CG1-CB 4.06Å; M257-A307 HydrophobicContact CE-CB 3.77Å; T303-A307 WeakPolarHBondContact O-CB 3.16Å; T303-A307 PolarHBondContact O-N 3.36Å; I304-A307 PolarHBondContact O-N 3.23Å; A307-R311 WeakPolarHBondContact O-CB 3.25Å; A307-R311 PolarHBondContact O-N 2.82Å |
| 308 | F | 90.3 | Very high | 86.4 | Confident | 53 Ų | 53 | 53.2 Ų | 53.2 | 23% | 0.232 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.7 | -47.4 | 169.9 | -88.3 | -65.7 | 0 | 0 | 0 | 112.9 | M257 I260 I304 G305 Q306 L310 R311 F312 | M257-F308 HydrophobicContact CG-CD1 4.14Å; M257-F308 HydrophobicContact CG-CE1 4.16Å; M257-F308 HydrophobicContact SD-CD1 3.91Å; M257-F308 HydrophobicContact SD-CD2 4.02Å; M257-F308 HydrophobicContact SD-CE1 3.78Å; M257-F308 HydrophobicContact SD-CE2 3.89Å; M257-F308 HydrophobicContact SD-CG 4.04Å; M257-F308 HydrophobicContact SD-CZ 3.78Å; I260-F308 HydrophobicContact CB-CZ 3.77Å; I260-F308 HydrophobicContact CG2-CE2 4.04Å; I260-F308 HydrophobicContact CG2-CZ 3.68Å; I304-F308 HydrophobicContact CG2-CD2 3.89Å; I304-F308 HydrophobicContact CG2-CE2 3.83Å; I304-F308 WeakPolarHBondContact O-CD2 3.49Å; I304-F308 PolarHBondContact O-N 3.16Å; G305-F308 WeakPolarHBondContact O-CB 3.43Å; G305-F308 PolarHBondContact O-N 3.37Å; Q306-F308 VanDerWaalsContact C-N 3.3Å; Q306-F308 PolarHBondContact O-N 3.37Å; F308-L310 PolarHBondContact O-N 3.32Å; F308-R311 PolarHBondContact O-N 2.99Å; F308-F312 VanDerWaalsContact O-CB 3.28Å; F308-F312 WeakPolarHBondContact O-CB 3.37Å; F308-F312 PolarHBondContact O-N 3.36Å |
| 309 | E | 89.1 | Confident | 85 | Confident | 18 Ų | 18 | 54.2 Ų | 54.2 | 8% | 0.084 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.1 | -44.1 | 179.5 | -158.3 | -152.2 | -171.2 | 0 | 0 | 111.2 | S139 K143 W148 G305 Q306 K313 | S139-E309 PolarHBondContact OG-OE1 3.19Å; K143-E309 VanDerWaalsContact CE-OE1 3.22Å; K143-E309 WeakPolarHBondContact CE-OE1 3.45Å; K143-E309 IonicContact NZ-OE1 2.71Å; K143-E309 PolarHBondContact NZ-OE1 3.21Å; K143-E309 IonicContact NZ-OE2 3.69Å; W148-E309 HydrophobicContact CZ2-CB 4.14Å; W148-E309 PolarHBondContact NE1-OE2 3.01Å; G305-E309 PolarHBondContact O-N 2.93Å; Q306-E309 PolarHBondContact O-N 3.1Å; Q306-E309 VanDerWaalsContact O-N 3.15Å; E309-K313 VanDerWaalsContact O-CG 3.3Å; E309-K313 WeakPolarHBondContact O-CG 3.45Å; E309-K313 PolarHBondContact O-N 2.84Å; E309-K313 WeakPolarHBondContact OE1-CE 3.49Å; E309-K313 IonicContact OE1-NZ 2.72Å; E309-K313 PolarHBondContact OE1-NZ 2.97Å; E309-K313 IonicContact OE2-NZ 2.87Å; E309-K313 PolarHBondContact OE2-NZ 3.09Å |
| 310 | L | 88.9 | Confident | 83.1 | Confident | 14 Ų | 14 | 55.9 Ų | 55.9 | 7% | 0.073 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68 | -45.4 | 178.6 | -68.8 | 172.8 | 0 | 0 | 0 | 112.2 | N152 V155 M156 T238 Q306 F308 F312 K313 Q314 | N152-L310 HydrophobicContact CB-CD1 3.81Å; N152-L310 HydrophobicContact CB-CD2 3.9Å; V155-L310 HydrophobicContact CB-CD1 4.02Å; V155-L310 HydrophobicContact CG1-CD1 4.19Å; M156-L310 HydrophobicContact CG-CD1 4.22Å; M156-L310 HydrophobicContact SD-CD1 4.43Å; M156-L310 HydrophobicContact SD-CD2 4.3Å; T238-L310 HydrophobicContact CG2-CB 3.7Å; T238-L310 HydrophobicContact CG2-CD1 4.44Å; Q306-L310 HydrophobicContact CG-CD1 3.9Å; Q306-L310 HydrophobicContact CG-CG 4.35Å; Q306-L310 WeakPolarHBondContact O-CB 3.31Å; Q306-L310 WeakPolarHBondContact O-CG 3.24Å; Q306-L310 PolarHBondContact O-N 3.37Å; F308-L310 PolarHBondContact O-N 3.32Å; L310-F312 VanDerWaalsContact C-N 3.29Å; L310-F312 PolarHBondContact O-N 2.94Å; L310-K313 PolarHBondContact O-N 2.99Å; L310-Q314 WeakPolarHBondContact O-CG 3.32Å; L310-Q314 PolarHBondContact O-N 2.86Å |
| 311 | R | 85.8 | Confident | 80.9 | Confident | 60 Ų | 60 | 65.2 Ų | 65.2 | 23% | 0.226 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.2 | -28.1 | 178.5 | -174 | -102.6 | 156.3 | -170.8 | -15.2 | 112.5 | T238 M257 A307 F308 Y315 | T238-R311 HydrophobicContact CG2-CB 4.36Å; T238-R311 WeakPolarHBondContact O-CG 3.41Å; M257-R311 HydrophobicContact CG-CB 4.38Å; M257-R311 HydrophobicContact CG-CG 4.34Å; A307-R311 WeakPolarHBondContact O-CB 3.25Å; A307-R311 PolarHBondContact O-N 2.82Å; F308-R311 PolarHBondContact O-N 2.99Å; R311-Y315 WeakPolarHBondContact O-CB 3.39Å; R311-Y315 PolarHBondContact O-N 3.17Å; R311-Y315 VanDerWaalsContact O-N 3.1Å |
| 312 | F | 83.7 | Confident | 78.7 | Confident | 99 Ų | 99 | 71.9 Ų | 71.9 | 43% | 0.434 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -70.5 | -43.5 | 169.5 | -175.9 | -110.9 | 0 | 0 | 0 | 111.8 | W134 F308 L310 Q314 Y315 L316 | W134-F312 HydrophobicContact CZ3-CE1 4.49Å; W134-F312 HydrophobicContact CZ3-CZ 4.16Å; F308-F312 VanDerWaalsContact O-CB 3.28Å; F308-F312 WeakPolarHBondContact O-CB 3.37Å; F308-F312 PolarHBondContact O-N 3.36Å; L310-F312 VanDerWaalsContact C-N 3.29Å; L310-F312 PolarHBondContact O-N 2.94Å; F312-Q314 VanDerWaalsContact C-N 3.33Å; F312-Q314 PolarHBondContact O-N 2.92Å; F312-Y315 WeakPolarHBondContact O-CB 3.41Å; F312-Y315 PolarHBondContact O-N 2.98Å; F312-Y315 VanDerWaalsContact O-N 3.12Å; F312-L316 HydrophobicContact CD1-CD1 4.09Å; F312-L316 HydrophobicContact CE1-CD1 3.61Å; F312-L316 HydrophobicContact CE1-CG 4.26Å; F312-L316 HydrophobicContact CZ-CD1 3.98Å; F312-L316 HydrophobicContact CZ-CD2 4.37Å; F312-L316 HydrophobicContact CZ-CG 4.27Å; F312-L316 PolarHBondContact O-N 3.33Å |
| 313 | K | 85.3 | Confident | 76.3 | Confident | 90 Ų | 90 | 76.8 Ų | 76.8 | 39% | 0.391 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62 | -37.3 | 173.5 | -72.5 | 166.1 | -177.5 | 172.4 | 0 | 112.8 | E309 L310 L316 R317 | E309-K313 VanDerWaalsContact O-CG 3.3Å; E309-K313 WeakPolarHBondContact O-CG 3.45Å; E309-K313 PolarHBondContact O-N 2.84Å; E309-K313 WeakPolarHBondContact OE1-CE 3.49Å; E309-K313 IonicContact OE1-NZ 2.72Å; E309-K313 PolarHBondContact OE1-NZ 2.97Å; E309-K313 IonicContact OE2-NZ 2.87Å; E309-K313 PolarHBondContact OE2-NZ 3.09Å; L310-K313 PolarHBondContact O-N 2.99Å; K313-L316 PolarHBondContact O-N 2.85Å; K313-R317 PolarHBondContact O-N 2.99Å |
| 314 | Q | 80.7 | Confident | 74.2 | Confident | 78 Ų | 78 | 81 Ų | 81 | 36% | 0.364 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.7 | -45.2 | 170.7 | -75.7 | 176 | -39.9 | 0 | 0 | 111.5 | L310 F312 L316 R317 N318 | L310-Q314 WeakPolarHBondContact O-CG 3.32Å; L310-Q314 PolarHBondContact O-N 2.86Å; F312-Q314 VanDerWaalsContact C-N 3.33Å; F312-Q314 PolarHBondContact O-N 2.92Å; Q314-L316 VanDerWaalsContact C-N 3.31Å; Q314-L316 PolarHBondContact O-N 3.34Å; Q314-R317 PolarHBondContact O-N 2.82Å; Q314-N318 PolarHBondContact O-N 2.81Å |
| 315 | Y | 79.4 | Confident | 72 | Confident | 111 Ų | 111 | 87 Ų | 87 | 44% | 0.435 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.4 | -32.5 | 177.6 | -179.2 | -91.1 | 0 | 0 | 0 | 113.3 | R311 F312 N318 P319 P320 | R311-Y315 WeakPolarHBondContact O-CB 3.39Å; R311-Y315 PolarHBondContact O-N 3.17Å; R311-Y315 VanDerWaalsContact O-N 3.1Å; F312-Y315 WeakPolarHBondContact O-CB 3.41Å; F312-Y315 PolarHBondContact O-N 2.98Å; F312-Y315 VanDerWaalsContact O-N 3.12Å; Y315-N318 CarbonylContact O-C 3.56Å; Y315-P319 VanDerWaalsContact O-CA 3.24Å; Y315-P319 WeakPolarHBondContact O-CA 3.35Å; Y315-P319 VanDerWaalsContact O-N 3.13Å; Y315-P320 HydrophobicContact CD2-CG 4.34Å; Y315-P320 VanDerWaalsContact CE2-CD 3.47Å; Y315-P320 HydrophobicContact CE2-CG 3.91Å |
| 316 | L | 79.4 | Confident | 69.8 | Low | 91 Ų | 91 | 94 Ų | 94 | 48% | 0.476 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -76.3 | -37.7 | 173.7 | -67.6 | 178.9 | 0 | 0 | 0 | 113 | W134 F312 K313 Q314 | W134-L316 HydrophobicContact CE3-CD1 4.2Å; W134-L316 HydrophobicContact CZ3-CD1 4.47Å; F312-L316 HydrophobicContact CD1-CD1 4.09Å; F312-L316 HydrophobicContact CE1-CD1 3.61Å; F312-L316 HydrophobicContact CE1-CG 4.26Å; F312-L316 HydrophobicContact CZ-CD1 3.98Å; F312-L316 HydrophobicContact CZ-CD2 4.37Å; F312-L316 HydrophobicContact CZ-CG 4.27Å; F312-L316 PolarHBondContact O-N 3.33Å; K313-L316 PolarHBondContact O-N 2.85Å; Q314-L316 VanDerWaalsContact C-N 3.31Å; Q314-L316 PolarHBondContact O-N 3.34Å |
| 317 | R | 74.6 | Confident | 67.6 | Low | 219 Ų | 219 | 99.5 Ų | 99.5 | 83% | 0.826 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -72.6 | -41 | 177.7 | -81.1 | -174.1 | 166.4 | -175.2 | -5 | 113.1 | K313 Q314 | K313-R317 PolarHBondContact O-N 2.99Å; Q314-R317 PolarHBondContact O-N 2.82Å |
| 318 | N | 62.3 | Low | 65.4 | Low | 134 Ų | 134 | 110.7 Ų | 110.7 | 72% | 0.717 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -130 | 80.3 | 178.4 | -72.4 | -35.1 | 0 | 0 | 0 | 107.9 | Q314 Y315 | Q314-N318 PolarHBondContact O-N 2.81Å; Y315-N318 CarbonylContact O-C 3.56Å |
| 319 | P | 59.3 | Low | 63.1 | Low | 82 Ų | 82 | 116.3 Ų | 116.3 | 53% | 0.532 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -56.4 | 132.9 | 167.2 | 25 | -33.3 | 0 | 0 | 0 | 107.9 | Y315 K321 | Y315-P319 VanDerWaalsContact O-CA 3.24Å; Y315-P319 WeakPolarHBondContact O-CA 3.35Å; Y315-P319 VanDerWaalsContact O-N 3.13Å; P319-K321 PolarHBondContact O-N 3.34Å; P319-K321 VanDerWaalsContact O-N 3.1Å |
| 320 | P | 52.8 | Low | 60.7 | Low | 89 Ų | 89 | 119.9 Ų | 119.9 | 58% | 0.578 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -58 | 123.6 | 177.6 | 25 | -32.8 | 0 | 0 | 0 | 107.6 | Y315 L322 | Y315-P320 HydrophobicContact CD2-CG 4.34Å; Y315-P320 VanDerWaalsContact CE2-CD 3.47Å; Y315-P320 HydrophobicContact CE2-CG 3.91Å; P320-L322 PolarHBondContact O-N 2.85Å |
| 321 | K | 46.4 | Very low | 58.4 | Low | 195 Ų | 195 | 122.2 Ų | 122.2 | 85% | 0.848 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 119.3 | -179.9 | -71 | -175.1 | 179.5 | -178.4 | 0 | 107.9 | P319 V323 | P319-K321 PolarHBondContact O-N 3.34Å; P319-K321 VanDerWaalsContact O-N 3.1Å; K321-V323 PolarHBondContact O-N 2.9Å |
| 322 | L | 46.4 | Very low | 55.8 | Low | 158 Ų | 158 | 128.9 Ų | 128.9 | 83% | 0.827 | 66% | 0.659 | S | S | * | * | trans | -59.7 | 114.7 | 173.8 | -165.6 | 100 | 0 | 0 | 0 | 105.9 | P320 T324 | P320-L322 PolarHBondContact O-N 2.85Å; L322-T324 VanDerWaalsContact C-N 3.31Å; L322-T324 PolarHBondContact O-N 2.89Å | ||
| 323 | V | 39.5 | Very low | 53.9 | Low | 113 Ų | 113 | 130.3 Ų | 130.3 | 69% | 0.685 | 67% | 0.671 | S | S | * | * | trans | -67 | 95.5 | -175.8 | 179.1 | 0 | 0 | 0 | 0 | 107.9 | K321 D327 | K321-V323 PolarHBondContact O-N 2.9Å; V323-D327 HydrophobicContact CG1-CB 4.28Å | ||
| 324 | T | 49.7 | Very low | 51.5 | Low | 88 Ų | 88 | 129.2 Ų | 129.2 | 54% | 0.54 | 69% | 0.686 | S | S | . | * | trans | -63.8 | 146.5 | 166.8 | 48.9 | 0 | 0 | 0 | 0 | 107.8 | L322 H326 D327 | L322-T324 VanDerWaalsContact C-N 3.31Å; L322-T324 PolarHBondContact O-N 2.89Å; T324-H326 PolarHBondContact O-N 2.94Å; T324-D327 PolarHBondContact O-N 3.4Å | ||
| 325 | P | 45.8 | Very low | 49.5 | Very low | 127 Ų | 127 | 131.4 Ų | 131.4 | 83% | 0.825 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | -10 | -174.2 | -27.9 | 36.5 | 0 | 0 | 0 | 116 | ||
| 326 | H | 45.6 | Very low | 47.7 | Very low | 153 Ų | 153 | 129.2 Ų | 129.2 | 71% | 0.708 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | -25.4 | -179.2 | -122.8 | -70.9 | 0 | 0 | 0 | 114.4 | T324 R328 M329 | T324-H326 PolarHBondContact O-N 2.94Å; H326-R328 PolarHBondContact O-N 3Å; H326-M329 PolarHBondContact O-N 3.26Å |
| 327 | D | 43 | Very low | 45.4 | Very low | 117 Ų | 117 | 136 Ų | 136 | 63% | 0.626 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | 28.4 | -175.5 | -142.8 | -0.1 | 0 | 0 | 0 | 113.1 | V323 T324 | V323-D327 HydrophobicContact CG1-CB 4.28Å; T324-D327 PolarHBondContact O-N 3.4Å |
| 328 | R | 45.5 | Very low | 43.3 | Very low | 236 Ų | 236 | 132.1 Ų | 132.1 | 89% | 0.891 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.9 | 0.5 | -180 | -128.1 | 177.1 | -175.6 | 154.5 | 2.1 | 113.5 | H326 | H326-R328 PolarHBondContact O-N 3Š|
| 329 | M | 41 | Very low | 42.4 | Very low | 170 Ų | 170 | 134 Ų | 134 | 84% | 0.837 | 73% | 0.734 | S | S | * | * | trans | -118.7 | 9.1 | 176.5 | -68.6 | -175.1 | 174.7 | 0 | 0 | 113.6 | H326 G331 | H326-M329 PolarHBondContact O-N 3.26Å; M329-G331 PolarHBondContact O-N 3.12Å | ||
| 330 | A | 40.3 | Very low | 41.2 | Very low | 93 Ų | 93 | 140.1 Ų | 140.1 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | trans | -75.4 | 59.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 331 | G | 40.4 | Very low | 40.8 | Very low | 64 Ų | 64 | 145.3 Ų | 145.3 | 66% | 0.66 | 77% | 0.772 | S | S | * | * | trans | -106.5 | 112.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | M329 | M329-G331 PolarHBondContact O-N 3.12Š| ||
| 332 | F | 31.5 | Very low | 40.3 | Very low | 199 Ų | 199 | 145.1 Ų | 145.1 | 87% | 0.873 | 77% | 0.774 | S | S | * | * | S | Bend | trans | 68.7 | 133.8 | 159.1 | -158.8 | -98 | 0 | 0 | 0 | 118.5 | ||
| 333 | D | 42.8 | Very low | 40.1 | Very low | 129 Ų | 129 | 146.5 Ų | 146.5 | 69% | 0.69 | 78% | 0.776 | S | S | * | * | trans | -31.6 | 140.2 | 166.7 | -173.5 | 7.6 | 0 | 0 | 0 | 116.3 | ||||
| 334 | G | 35.7 | Very low | 40.2 | Very low | 67 Ų | 67 | 146.8 Ų | 146.8 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | trans | -170.3 | 32.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | A336 | G334-A336 VanDerWaalsContact C-N 3.33Å; G334-A336 PolarHBondContact O-N 3.36Å | ||
| 335 | S | 38.8 | Very low | 40 | Very low | 125 Ų | 125 | 147.4 Ų | 147.4 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | trans | -81.5 | 71.2 | 178.8 | -67.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 336 | A | 41.3 | Very low | 39.8 | Very low | 64 Ų | 64 | 148.9 Ų | 148.9 | 53% | 0.529 | 79% | 0.787 | S | S | . | * | trans | -155.1 | 138.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | G334 | G334-A336 VanDerWaalsContact C-N 3.33Å; G334-A336 PolarHBondContact O-N 3.36Å | ||
| 337 | W | 30.6 | Very low | 40.3 | Very low | 235 Ų | 235 | 150 Ų | 150 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | trans | 65.2 | 136.3 | 179.6 | -32.7 | 101.3 | 0 | 0 | 0 | 114.6 | ||||
| 338 | D | 30.5 | Very low | 40.3 | Very low | 137 Ų | 137 | 152.1 Ų | 152.1 | 73% | 0.733 | 80% | 0.798 | S | S | * | * | cis | -152.9 | 174.9 | -22.7 | -142.2 | -26.1 | 0 | 0 | 0 | 108.3 | ||||
| 339 | E | 42.4 | Very low | 40.3 | Very low | 174 Ų | 174 | 149.6 Ų | 149.6 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | trans | -76.5 | 127.7 | 164.7 | -68.5 | 175.2 | 90 | 0 | 0 | 110.2 | ||||
| 340 | E | 34.3 | Very low | 40.9 | Very low | 210 Ų | 210 | 149.3 Ų | 149.3 | 98% | 0.981 | 78% | 0.781 | S | S | * | * | trans | -170.9 | 164.3 | 131.2 | -105.7 | 179.3 | 126 | 0 | 0 | 112.2 | ||||
| 341 | E | 44.6 | Very low | 41.6 | Very low | 198 Ų | 198 | 150.9 Ų | 150.9 | 93% | 0.925 | 78% | 0.776 | S | S | * | * | trans | -117.1 | 114.9 | -161.9 | 178.7 | -177 | 150.9 | 0 | 0 | 111 | ||||
| 342 | E | 35.9 | Very low | 42.4 | Very low | 191 Ų | 191 | 153.9 Ų | 153.9 | 89% | 0.893 | 78% | 0.777 | S | S | * | * | trans | -146.9 | 132 | 172.2 | -160.3 | 171.4 | -162.2 | 0 | 0 | 112.1 | ||||
| 343 | E | 42.9 | Very low | 43 | Very low | 187 Ų | 187 | 151.5 Ų | 151.5 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 128.8 | -179.2 | -69 | -175.9 | 107.7 | 0 | 0 | 112.3 | ||
| 344 | P | 41.5 | Very low | 43.3 | Very low | 119 Ų | 119 | 151.6 Ų | 151.6 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 135.6 | 169.6 | 31.3 | -32.6 | 0 | 0 | 0 | 111.2 | ||
| 345 | P | 44.5 | Very low | 44.2 | Very low | 101 Ų | 101 | 152.4 Ų | 152.4 | 66% | 0.656 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -78 | 156.2 | -171.1 | 30.9 | -37 | 0 | 0 | 0 | 114.7 | H347 | P345-H347 PolarHBondContact O-N 2.96Š|
| 346 | D | 43.5 | Very low | 44.6 | Very low | 157 Ų | 157 | 153.6 Ų | 153.6 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | trans | -56.2 | 104.6 | 174.6 | -96.8 | -42.8 | 0 | 0 | 0 | 112.8 | Q348 | D346-Q348 PolarHBondContact O-N 3.19Š| ||
| 347 | H | 54.3 | Low | 45 | Very low | 176 Ų | 176 | 159.3 Ų | 159.3 | 82% | 0.815 | 79% | 0.788 | S | S | * | * | trans | -98 | 89.8 | 169.8 | -81.1 | -22.2 | 0 | 0 | 0 | 111.5 | P345 | P345-H347 PolarHBondContact O-N 2.96Š| ||
| 348 | Q | 43.9 | Very low | 45.9 | Very low | 163 Ų | 163 | 153.5 Ų | 153.5 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | -52.2 | 132.9 | 179.1 | -65.3 | 164.9 | 3.5 | 0 | 0 | 112.1 | D346 | D346-Q348 PolarHBondContact O-N 3.19Š| ||
| 349 | Y | 45.1 | Very low | 46.8 | Very low | 183 Ų | 183 | 153.1 Ų | 153.1 | 72% | 0.718 | 79% | 0.785 | S | S | * | * | trans | -77.3 | 158.3 | -173.9 | -164.2 | -105.5 | 0 | 0 | 0 | 111.9 | N351 | Y349-N351 PolarHBondContact O-N 3.38Š| ||
| 350 | Y | 53.9 | Low | 46.8 | Very low | 164 Ų | 164 | 153.3 Ų | 153.3 | 64% | 0.643 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | 7.9 | -164 | -170.6 | -104.5 | 0 | 0 | 0 | 116.5 | K356 | Y350-K356 PolarHBondContact OH-NZ 3.24Å; Y350-K356 VanDerWaalsContact OH-NZ 3.14Å |
| 351 | N | 55.6 | Low | 46.9 | Very low | 126 Ų | 126 | 147.3 Ų | 147.3 | 67% | 0.674 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | -14.4 | -175.1 | -69.2 | -24.8 | 0 | 0 | 0 | 114.8 | Y349 F353 | Y349-N351 PolarHBondContact O-N 3.38Å; N351-F353 VanDerWaalsContact C-N 3.28Å; N351-F353 PolarHBondContact O-N 3.46Å |
| 352 | D | 56.2 | Low | 46.4 | Very low | 127 Ų | 127 | 141.4 Ų | 141.4 | 68% | 0.679 | 78% | 0.777 | S | S | * | * | trans | -87 | 16.3 | -172.9 | -66.9 | -67 | 0 | 0 | 0 | 114.9 | P354 | D352-P354 WeakPolarHBondContact O-CD 3.3Š| ||
| 353 | F | 44.8 | Very low | 46.9 | Very low | 149 Ų | 149 | 139.4 Ų | 139.4 | 65% | 0.654 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -97.3 | 110.2 | 171.5 | -73.3 | -79.9 | 0 | 0 | 0 | 111.3 | N351 G355 | N351-F353 VanDerWaalsContact C-N 3.28Å; N351-F353 PolarHBondContact O-N 3.46Å; F353-G355 PolarHBondContact O-N 3.06Å |
| 354 | P | 48.1 | Very low | 46.9 | Very low | 131 Ų | 131 | 137.1 Ų | 137.1 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | 130.9 | 177.6 | 27.8 | -33.8 | 0 | 0 | 0 | 111.1 | D352 | D352-P354 WeakPolarHBondContact O-CD 3.3Š|
| 355 | G | 55.8 | Low | 46.6 | Very low | 83 Ų | 83 | 137.2 Ų | 137.2 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 102.7 | 29 | 169.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | F353 | F353-G355 PolarHBondContact O-N 3.06Š|
| 356 | K | 47.7 | Very low | 46.3 | Very low | 150 Ų | 150 | 141.1 Ų | 141.1 | 65% | 0.652 | 78% | 0.782 | S | S | * | * | trans | -109.9 | 124.8 | 164.5 | -77.4 | -171 | 177.1 | 176 | 0 | 112.2 | Y350 | Y350-K356 PolarHBondContact OH-NZ 3.24Å; Y350-K356 VanDerWaalsContact OH-NZ 3.14Å | ||
| 357 | E | 49.3 | Very low | 46.2 | Very low | 185 Ų | 185 | 143.8 Ų | 143.8 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 144 | 173.9 | -63.4 | 173 | -120.6 | 0 | 0 | 111.1 | ||
| 358 | P | 49.7 | Very low | 45.1 | Very low | 112 Ų | 112 | 143.1 Ų | 143.1 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 143.1 | 175.3 | 30.5 | -34.1 | 0 | 0 | 0 | 111.4 | ||
| 359 | P | 48.3 | Very low | 44.6 | Very low | 129 Ų | 129 | 146 Ų | 146 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 138 | -179.5 | 27.4 | -34.5 | 0 | 0 | 0 | 112.1 | G361 | P359-G361 PolarHBondContact O-N 3.02Š|
| 360 | L | 42.8 | Very low | 43.9 | Very low | 179 Ų | 179 | 146 Ų | 146 | 94% | 0.937 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 127.3 | -178.2 | -63.5 | 173.2 | 0 | 0 | 0 | 111.8 | ||
| 361 | G | 36.3 | Very low | 42.6 | Very low | 84 Ų | 84 | 141.8 Ų | 141.8 | 87% | 0.866 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 134 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | P359 | P359-G361 PolarHBondContact O-N 3.02Š|
| 362 | G | 35.3 | Very low | 41.4 | Very low | 73 Ų | 73 | 141 Ų | 141 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | trans | -152.9 | 138.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 363 | V | 46.3 | Very low | 40 | Very low | 150 Ų | 150 | 139.5 Ų | 139.5 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | trans | -79.8 | 146.4 | -177.8 | -71.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 364 | V | 41.6 | Very low | 39.8 | Very low | 139 Ų | 139 | 138.7 Ų | 138.7 | 84% | 0.842 | 82% | 0.824 | S | S | * | * | trans | -132.6 | 117.2 | 164.7 | -176.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 365 | D | 36.3 | Very low | 38.7 | Very low | 120 Ų | 120 | 135.7 Ų | 135.7 | 64% | 0.642 | 82% | 0.818 | S | S | * | * | trans | -80.7 | 136.5 | 172.6 | -166.8 | -43.9 | 0 | 0 | 0 | 109.2 | R367 | D365-R367 WeakPolarHBondContact OD1-CB 3.43Å; D365-R367 PolarHBondContact OD1-N 2.64Å | ||
| 366 | M | 38.6 | Very low | 37.5 | Very low | 183 Ų | 183 | 136.9 Ų | 136.9 | 90% | 0.901 | 82% | 0.819 | S | S | * | * | trans | -100.7 | 14.6 | -175.3 | -140.3 | -179.1 | 85.8 | 0 | 0 | 113.9 | L368 | M366-L368 PolarHBondContact O-N 2.75Š| ||
| 367 | R | 40.2 | Very low | 36.6 | Very low | 213 Ų | 213 | 133.7 Ų | 133.7 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -89.2 | 82.1 | 173.6 | -69.9 | -162.7 | -177.2 | 99.2 | -6.7 | 113.7 | D365 | D365-R367 WeakPolarHBondContact OD1-CB 3.43Å; D365-R367 PolarHBondContact OD1-N 2.64Å | ||
| 368 | L | 31.5 | Very low | 35.6 | Very low | 163 Ų | 163 | 136.5 Ų | 136.5 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | trans | -158.6 | 157.3 | 149.3 | -141.8 | 71 | 0 | 0 | 0 | 112.9 | M366 | M366-L368 PolarHBondContact O-N 2.75Š| ||
| 369 | R | 34.3 | Very low | 34.6 | Very low | 224 Ų | 224 | 135.4 Ų | 135.4 | 85% | 0.845 | 82% | 0.819 | S | S | * | * | trans | 71.1 | 83.9 | 165.4 | -156.7 | 164 | 178.5 | 142.8 | -7.9 | 114.8 | ||||
| 370 | E | 29.1 | Very low | 33.6 | Very low | 183 Ų | 183 | 135.7 Ų | 135.7 | 86% | 0.855 | 82% | 0.818 | S | S | * | * | 59.9 | 130.6 | 74.2 | -61.4 | -178.6 | 89.6 | 0 | 0 | 115.3 | |||||
| 371 | G | 27.5 | Very low | 33 | Very low | 75 Ų | 75 | 131.5 Ų | 131.5 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | trans | 148.4 | 102.5 | 155.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 372 | A | 29 | Very low | 33.2 | Very low | 110 Ų | 110 | 133.2 Ų | 133.2 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | trans | 60.1 | 129.7 | 152.8 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 373 | A | 27.5 | Very low | 32.8 | Very low | 94 Ų | 94 | 135 Ų | 135 | 78% | 0.777 | 81% | 0.806 | S | S | * | * | trans | -112.1 | -168.6 | 147.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 374 | P | 40.7 | Very low | 31.9 | Very low | 132 Ų | 132 | 131.6 Ų | 131.6 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | cis | -131.9 | -174.7 | -10.8 | 42.3 | -26.6 | 0 | 0 | 0 | 113.3 | ||||
| 375 | G | 25.7 | Very low | 31.2 | Very low | 69 Ų | 69 | 133.9 Ų | 133.9 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | 153.2 | 129.4 | 151.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 376 | A | 29.8 | Very low | 31 | Very low | 107 Ų | 107 | 134.7 Ų | 134.7 | 88% | 0.884 | 81% | 0.805 | S | S | * | * | trans | 58.2 | 163.8 | 158.1 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 377 | A | 28.7 | Very low | 31 | Very low | 84 Ų | 84 | 131.4 Ų | 131.4 | 69% | 0.694 | 80% | 0.797 | S | S | * | * | cis | -174.9 | 137.6 | -49 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 378 | R | 28.5 | Very low | 30.4 | Very low | 243 Ų | 243 | 126.8 Ų | 126.8 | 92% | 0.917 | 80% | 0.798 | S | S | * | * | trans | 63.3 | 162.1 | 163.4 | -69.9 | 176.9 | 167.5 | 178.2 | -6 | 117.6 | ||||
| 379 | S | 28.3 | Very low | 30.2 | Very low | 89 Ų | 89 | 127 Ų | 127 | 62% | 0.622 | 79% | 0.794 | S | S | * | * | cis | -168.4 | 164.9 | -33.2 | 57.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 380 | T | 27.8 | Very low | 30.2 | Very low | 136 Ų | 136 | 123.8 Ų | 123.8 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | trans | 67.7 | 136.2 | 154.5 | 38.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 381 | A | 30.9 | Very low | 30 | Very low | 91 Ų | 91 | 118.4 Ų | 118.4 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | trans | -92.3 | -178.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 382 | P | 38.7 | Very low | 30.1 | Very low | 120 Ų | 120 | 119.8 Ų | 119.8 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | -152.4 | 173.2 | 97 | 42.6 | -26.3 | 0 | 0 | 0 | 116.9 | |||||
| 383 | S | 26.9 | Very low | 30.2 | Very low | 110 Ų | 110 | 121 Ų | 121 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | 26.1 | 145.7 | 134.9 | -175.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 384 | A | 28.3 | Very low | 30.5 | Very low | 79 Ų | 79 | 123.5 Ų | 123.5 | 65% | 0.653 | 79% | 0.786 | S | S | * | * | cis | 179.4 | -173.7 | -17.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 385 | Q | 27.3 | Very low | 30.2 | Very low | 186 Ų | 186 | 123.4 Ų | 123.4 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | trans | 79.8 | 132.4 | 158.2 | -56.7 | 177.5 | 21.4 | 0 | 0 | 120.3 | ||||
| 386 | T | 32.6 | Very low | 30.3 | Very low | 137 Ų | 137 | 126.7 Ų | 126.7 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | trans | -141.6 | 138.7 | 155.5 | 46.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 387 | P | 36.9 | Very low | 30.1 | Very low | 114 Ų | 114 | 125 Ų | 125 | 74% | 0.74 | 78% | 0.784 | S | S | * | * | trans | -84.2 | 150.7 | 172.2 | 32.8 | -32.4 | 0 | 0 | 0 | 112 | ||||
| 388 | S | 29.1 | Very low | 30.2 | Very low | 117 Ų | 117 | 130.1 Ų | 130.1 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | 62.7 | 134.4 | 70.6 | -46 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 389 | H | 27.2 | Very low | 30.9 | Very low | 167 Ų | 167 | 123.5 Ų | 123.5 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | cis | -165.6 | -177.3 | 7.1 | -172.1 | -122.4 | 0 | 0 | 0 | 111.2 | ||||
| 390 | L | 33.7 | Very low | 30.8 | Very low | 157 Ų | 157 | 126 Ų | 126 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | trans | 76.5 | 145.6 | 168.6 | -51.9 | 168 | 0 | 0 | 0 | 118.4 | ||||
| 391 | G | 26 | Very low | 30.7 | Very low | 69 Ų | 69 | 123 Ų | 123 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | cis | 161.6 | 131.6 | -16.4 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 392 | A | 29.5 | Very low | 30.5 | Very low | 104 Ų | 104 | 122.6 Ų | 122.6 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | trans | 65.5 | 166.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 393 | T | 29.8 | Very low | 30 | Very low | 135 Ų | 135 | 123.8 Ų | 123.8 | 83% | 0.828 | 79% | 0.794 | S | S | * | * | cis | -139.3 | 169.3 | 13.9 | 51 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 394 | L | 33.6 | Very low | 30.5 | Very low | 147 Ų | 147 | 124.3 Ų | 124.3 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | trans | -82.4 | 174.8 | 166.1 | -67.5 | 170.3 | 0 | 0 | 0 | 112.5 | ||||
| 395 | P | 35.3 | Very low | 30.5 | Very low | 130 Ų | 130 | 127.2 Ų | 127.2 | 84% | 0.844 | 80% | 0.796 | S | S | * | * | -139.7 | -175 | 100.6 | 40.3 | -28.3 | 0 | 0 | 0 | 115.4 | |||||
| 396 | V | 27.4 | Very low | 30.6 | Very low | 139 Ų | 139 | 124.4 Ų | 124.4 | 84% | 0.842 | 79% | 0.791 | S | S | * | * | trans | -131.5 | 146.8 | -172.2 | 171.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 397 | G | 25.9 | Very low | 30.3 | Very low | 71 Ų | 71 | 126.6 Ų | 126.6 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | trans | 171.9 | 119.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 398 | Q | 31.6 | Very low | 29.8 | Very low | 191 Ų | 191 | 130.1 Ų | 130.1 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | trans | -99 | -172.1 | 154.7 | -75 | -168.1 | -0.5 | 0 | 0 | 108.2 | ||||
| 399 | P | 42.5 | Very low | 29.8 | Very low | 105 Ų | 105 | 132 Ų | 132 | 68% | 0.682 | 78% | 0.783 | S | S | * | * | cis | -143.8 | -163.2 | 9.8 | 33.1 | -6.2 | 0 | 0 | 0 | 116.7 | ||||
| 400 | V | 27 | Very low | 30.1 | Very low | 140 Ų | 140 | 132.4 Ų | 132.4 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | trans | 76.5 | 138.4 | 165.7 | -165.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 401 | G | 25.1 | Very low | 30.3 | Very low | 73 Ų | 73 | 130.4 Ų | 130.4 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | cis | 140.1 | 134.5 | -10.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 402 | G | 26 | Very low | 31 | Very low | 84 Ų | 84 | 132.4 Ų | 132.4 | 87% | 0.866 | 78% | 0.784 | S | S | * | * | trans | 135.7 | 118.3 | 168 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 403 | D | 27.7 | Very low | 31.4 | Very low | 144 Ų | 144 | 133.4 Ų | 133.4 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | -99.9 | 155.3 | 155.3 | -167.1 | -117 | 0 | 0 | 0 | 107.4 | E405 | D403-E405 PolarHBondContact OD1-N 3.5Š| ||
| 404 | P | 38.5 | Very low | 32 | Very low | 122 Ų | 122 | 132.7 Ų | 132.7 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | -145.4 | 133.4 | 101 | 33.7 | -16 | 0 | 0 | 0 | 116.6 | |||||
| 405 | E | 27.5 | Very low | 31.9 | Very low | 140 Ų | 140 | 131.3 Ų | 131.3 | 65% | 0.654 | 78% | 0.78 | S | S | * | * | trans | -8 | 143.1 | 145.6 | -153.7 | -158 | 115.1 | 0 | 0 | 119 | D403 | D403-E405 PolarHBondContact OD1-N 3.5Š| ||
| 406 | V | 29.6 | Very low | 31.8 | Very low | 126 Ų | 126 | 131.3 Ų | 131.3 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | -175.6 | 100.1 | 122.9 | 145.6 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 407 | R | 25.8 | Very low | 31.8 | Very low | 183 Ų | 183 | 130.6 Ų | 130.6 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | 50.2 | 112.2 | 125.9 | -166 | -165.9 | -161.9 | 109.4 | -6.3 | 122.1 | |||||
| 408 | K | 27.1 | Very low | 31.8 | Very low | 188 Ų | 188 | 132.5 Ų | 132.5 | 82% | 0.817 | 79% | 0.788 | S | S | * | * | -168.1 | 103.4 | 127.8 | -106.4 | 165 | -177.9 | 178.1 | 0 | 109.5 | |||||
| 409 | Q | 28.7 | Very low | 31.5 | Very low | 157 Ų | 157 | 126.5 Ų | 126.5 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | 96.2 | 121.1 | 73.2 | -89.7 | -176.9 | -34.3 | 0 | 0 | 113 | |||||
| 410 | M | 33.3 | Very low | 30.8 | Very low | 176 Ų | 176 | 132.7 Ų | 132.7 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 143.1 | -179.5 | 176.6 | 157.8 | 58 | 0 | 0 | 111.1 | ||
| 411 | P | 38 | Very low | 30.8 | Very low | 115 Ų | 115 | 133 Ų | 133 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 143.1 | 170.7 | -11.3 | 28.5 | 0 | 0 | 0 | 112.5 | ||
| 412 | P | 40.1 | Very low | 31.1 | Very low | 110 Ų | 110 | 135.6 Ų | 135.6 | 71% | 0.714 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 161.4 | 174.3 | 37.2 | -34.8 | 0 | 0 | 0 | 113.4 | ||
| 413 | P | 38.7 | Very low | 31.2 | Very low | 125 Ų | 125 | 140 Ų | 140 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 132.9 | 167.1 | 32.3 | -32.5 | 0 | 0 | 0 | 112.3 | ||
| 414 | P | 42.1 | Very low | 31.3 | Very low | 120 Ų | 120 | 139.9 Ų | 139.9 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | trans | -89.1 | 174.9 | 171.7 | 37.3 | -34.8 | 0 | 0 | 0 | 112.3 | ||||
| 415 | P | 32.6 | Very low | 31 | Very low | 119 Ų | 119 | 139.4 Ų | 139.4 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | trans | -109.7 | 170.2 | -131.3 | 39.7 | -37.1 | 0 | 0 | 0 | 116.7 | P417 | P415-P417 WeakPolarHBondContact O-CD 3.49Š| ||
| 416 | C | 32.4 | Very low | 31.6 | Very low | 129 Ų | 129 | 138.7 Ų | 138.7 | 87% | 0.872 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 130.2 | 165.9 | -53 | 0 | 0 | 0 | 0 | 111.9 | ||
| 417 | P | 28.5 | Very low | 31.9 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 148.1 | 147.8 | 34.1 | -29.6 | 0 | 0 | 0 | 110.2 | P415 | P415-P417 WeakPolarHBondContact O-CD 3.49Š|
| 418 | A | 25.8 | Very low | 32.1 | Very low | 110 Ų | 110 | 139.1 Ų | 139.1 | 91% | 0.909 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 156.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 419 | G | 25.4 | Very low | 32.3 | Very low | 66 Ų | 66 | 136.8 Ų | 136.8 | 68% | 0.68 | 77% | 0.772 | S | S | * | * | trans | 163.3 | 81.5 | 161.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 420 | R | 27.3 | Very low | 32.4 | Very low | 235 Ų | 235 | 135.9 Ų | 135.9 | 89% | 0.887 | 77% | 0.773 | S | S | * | * | trans | 68.3 | 154 | 142.6 | -64 | -171.7 | 176.1 | -156.1 | -2.9 | 118.6 | ||||
| 421 | E | 26.3 | Very low | 32.6 | Very low | 145 Ų | 145 | 133.9 Ų | 133.9 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | cis | -163.1 | 162.3 | -14.7 | -97.5 | -112.2 | 139.2 | 0 | 0 | 108.6 | ||||
| 422 | L | 30.9 | Very low | 32.3 | Very low | 128 Ų | 128 | 135.8 Ų | 135.8 | 67% | 0.67 | 77% | 0.769 | S | S | * | * | trans | 72.2 | 154.7 | 155.9 | -69.1 | 155 | 0 | 0 | 0 | 121.5 | ||||
| 423 | F | 29.7 | Very low | 31.7 | Very low | 178 Ų | 178 | 137.6 Ų | 137.6 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | trans | 69.7 | 135.1 | 170 | -56.6 | -71 | 0 | 0 | 0 | 118.7 | ||||
| 424 | D | 29.2 | Very low | 31.2 | Very low | 140 Ų | 140 | 139.5 Ų | 139.5 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | cis | -159.3 | 156.5 | -25 | -143.9 | -144.9 | 0 | 0 | 0 | 109.7 | ||||
| 425 | D | 30.9 | Very low | 30.5 | Very low | 113 Ų | 113 | 139 Ų | 139 | 60% | 0.604 | 77% | 0.766 | S | S | * | * | trans | -111.4 | 129.5 | 177.9 | 177.5 | 59.1 | 0 | 0 | 0 | 111.8 | S427 | D425-S427 WeakPolarHBondContact OD2-CB 3.34Å; D425-S427 PolarHBondContact OD2-N 2.95Å; D425-S427 PolarHBondContact OD2-OG 3.47Å | ||
| 426 | P | 41.5 | Very low | 30.2 | Very low | 125 Ų | 125 | 140.5 Ų | 140.5 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | trans | -110.7 | 90.6 | 156.9 | 5.9 | 15.8 | 0 | 0 | 0 | 110 | ||||
| 427 | S | 35.7 | Very low | 30 | Very low | 84 Ų | 84 | 140.4 Ų | 140.4 | 59% | 0.587 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 155.6 | -178.1 | 14.9 | 0 | 0 | 0 | 0 | 114.4 | D425 V429 | D425-S427 WeakPolarHBondContact OD2-CB 3.34Å; D425-S427 PolarHBondContact OD2-N 2.95Å; D425-S427 PolarHBondContact OD2-OG 3.47Å; S427-V429 PolarHBondContact O-N 3.43Å |
| 428 | Y | 28.9 | Very low | 30 | Very low | 233 Ų | 233 | 145.6 Ų | 145.6 | 91% | 0.914 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 121.8 | 173.6 | -144.7 | -102.6 | 0 | 0 | 0 | 111.3 | ||
| 429 | V | 32.5 | Very low | 30.1 | Very low | 139 Ų | 139 | 149.1 Ų | 149.1 | 84% | 0.842 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 131.4 | 172.7 | -70.8 | 0 | 0 | 0 | 0 | 111.8 | S427 | S427-V429 PolarHBondContact O-N 3.43Š|
| 430 | N | 31.2 | Very low | 30.2 | Very low | 138 Ų | 138 | 150 Ų | 150 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 155 | -171.8 | -166.8 | 11.3 | 0 | 0 | 0 | 112.6 | ||
| 431 | V | 36.9 | Very low | 30.2 | Very low | 134 Ų | 134 | 146 Ų | 146 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | trans | -89.7 | 114.7 | 179.6 | 178.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 432 | Q | 31.1 | Very low | 30.2 | Very low | 155 Ų | 155 | 142.5 Ų | 142.5 | 72% | 0.724 | 76% | 0.762 | S | S | * | * | trans | -143.1 | 130.1 | 162.7 | -67.9 | -163.1 | 14.2 | 0 | 0 | 113.6 | ||||
| 433 | N | 28.3 | Very low | 30 | Very low | 148 Ų | 148 | 140.3 Ų | 140.3 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | trans | 42.4 | 122 | 154.4 | -70.2 | -54.1 | 0 | 0 | 0 | 121.5 | ||||
| 434 | L | 28.8 | Very low | 29.9 | Very low | 165 Ų | 165 | 137.1 Ų | 137.1 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | trans | -142.8 | 113.7 | 130.3 | -175.6 | 58.7 | 0 | 0 | 0 | 111.3 | K436 | L434-K436 WeakPolarHBondContact CD1-O 3.34Š| ||
| 435 | D | 26.5 | Very low | 29.7 | Very low | 110 Ų | 110 | 134.3 Ų | 134.3 | 59% | 0.588 | 78% | 0.781 | S | S | * | * | trans | -126.3 | 126.1 | 170.2 | 179.5 | 9.5 | 0 | 0 | 0 | 108.1 | ||||
| 436 | K | 26.7 | Very low | 29.5 | Very low | 151 Ų | 151 | 136.3 Ų | 136.3 | 66% | 0.657 | 79% | 0.791 | S | S | * | * | trans | 61.8 | 146.7 | -170.4 | -53.8 | 113.7 | -173 | 163.1 | 0 | 113.9 | L434 | L434-K436 WeakPolarHBondContact CD1-O 3.34Š| ||
| 437 | V | 26.9 | Very low | 29.2 | Very low | 127 Ų | 127 | 136.6 Ų | 136.6 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | cis | -138.5 | 153.3 | 32.7 | 163.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 438 | R | 30.2 | Very low | 29.1 | Very low | 233 Ų | 233 | 137.7 Ų | 137.7 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | trans | -94.2 | 120.5 | 171.9 | -61.4 | 156.7 | 72.4 | -179.1 | 6.2 | 110.4 | ||||
| 439 | Q | 28.1 | Very low | 29.7 | Very low | 185 Ų | 185 | 132.7 Ų | 132.7 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | 177.8 | 149.6 | 156.8 | -102.4 | 149.5 | 111.6 | 0 | 0 | 108.9 | ||||
| 440 | A | 26.3 | Very low | 29.6 | Very low | 83 Ų | 83 | 129.8 Ų | 129.8 | 69% | 0.686 | 78% | 0.778 | S | S | * | * | cis | -147.4 | 155.8 | 6.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 441 | V | 27.7 | Very low | 29.6 | Very low | 151 Ų | 151 | 129.7 Ų | 129.7 | 92% | 0.915 | 78% | 0.783 | S | S | * | * | trans | 44.4 | 130.4 | 146.5 | 179.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 442 | G | 26.5 | Very low | 29.2 | Very low | 73 Ų | 73 | 130.4 Ų | 130.4 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | cis | 150 | 156.1 | -7.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 443 | G | 26.5 | Very low | 29.2 | Very low | 81 Ų | 81 | 126.3 Ų | 126.3 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | trans | 86.5 | 151.3 | 168 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 444 | A | 27.3 | Very low | 30 | Very low | 112 Ų | 112 | 125.8 Ų | 125.8 | 93% | 0.926 | 79% | 0.789 | S | S | * | * | cis | -162.6 | 158.8 | -13 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 445 | G | 25.6 | Very low | 30.4 | Very low | 81 Ų | 81 | 122.3 Ų | 122.3 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | trans | 136.2 | 122.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 446 | L | 26.4 | Very low | 31.5 | Very low | 155 Ų | 155 | 123.2 Ų | 123.2 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | trans | -130.7 | 148.4 | 173.1 | -109.9 | 160.9 | 0 | 0 | 0 | 107.7 | N448 | L446-N448 HydrophobicContact CD2-CB 4.09Š| ||
| 447 | P | 35.6 | Very low | 32.1 | Very low | 130 Ų | 130 | 127.7 Ų | 127.7 | 84% | 0.844 | 81% | 0.809 | S | S | * | * | -140.5 | 170.6 | 90.9 | 38.1 | -24 | 0 | 0 | 0 | 114.7 | |||||
| 448 | N | 33.7 | Very low | 32.8 | Very low | 108 Ų | 108 | 127.9 Ų | 127.9 | 58% | 0.578 | 81% | 0.806 | S | S | * | * | trans | -142.6 | 152.9 | 176 | -166.4 | 2.3 | 0 | 0 | 0 | 107 | L446 A450 | L446-N448 HydrophobicContact CD2-CB 4.09Å; N448-A450 PolarHBondContact OD1-N 2.88Å | ||
| 449 | P | 41.8 | Very low | 33.5 | Very low | 128 Ų | 128 | 125 Ų | 125 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | -153.3 | 116.7 | 101.7 | 35.2 | -15.3 | 0 | 0 | 0 | 116.4 | |||||
| 450 | A | 28.9 | Very low | 34.2 | Very low | 78 Ų | 78 | 125 Ų | 125 | 65% | 0.645 | 80% | 0.804 | S | S | * | * | trans | -159.5 | 74 | 151 | 0 | 0 | 0 | 0 | 0 | 113.3 | N448 N452 | N448-A450 PolarHBondContact OD1-N 2.88Å; A450-N452 PolarHBondContact O-N 2.8Å | ||
| 451 | V | 31.9 | Very low | 35 | Very low | 136 Ų | 136 | 128.4 Ų | 128.4 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | trans | 19.4 | 98.2 | 138.5 | 180 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 452 | N | 29.5 | Very low | 36.4 | Very low | 148 Ų | 148 | 129.1 Ų | 129.1 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | 49.8 | 139.7 | 62 | -70.7 | -10.7 | 0 | 0 | 0 | 115.1 | A450 | A450-N452 PolarHBondContact O-N 2.8Š| |||
| 453 | G | 30.4 | Very low | 37.6 | Very low | 70 Ų | 70 | 135 Ų | 135 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | cis | 169.8 | 166.6 | -1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 454 | S | 44.7 | Very low | 38.7 | Very low | 137 Ų | 137 | 136.7 Ų | 136.7 | 96% | 0.958 | 81% | 0.807 | S | S | * | * | trans | -75.8 | 138.3 | -176.3 | -51.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 455 | A | 37.5 | Very low | 39.7 | Very low | 92 Ų | 92 | 139.3 Ų | 139.3 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | trans | -142.6 | 155.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 456 | P | 48.6 | Very low | 40.8 | Very low | 128 Ų | 128 | 143.5 Ų | 143.5 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | trans | -81.4 | 159.2 | -158.1 | 32.4 | -37.1 | 0 | 0 | 0 | 114.6 | ||||
| 457 | R | 40.5 | Very low | 41.6 | Very low | 246 Ų | 246 | 143.9 Ų | 143.9 | 93% | 0.928 | 80% | 0.799 | S | S | * | * | trans | -127.7 | 108.1 | 162.9 | -73.8 | -165.7 | 174.3 | -148.3 | -1.9 | 110.8 | ||||
| 458 | D | 40.6 | Very low | 42.1 | Very low | 131 Ų | 131 | 141.5 Ų | 141.5 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | trans | 33.3 | 143.2 | 151.3 | -133 | -48 | 0 | 0 | 0 | 122.1 | F460 | D458-F460 PolarHBondContact OD1-N 3.5Š| ||
| 459 | L | 45.1 | Very low | 42.5 | Very low | 171 Ų | 171 | 142.6 Ų | 142.6 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -99.5 | -1.4 | 174.9 | -85.9 | 162.7 | 0 | 0 | 0 | 113.5 | ||
| 460 | F | 42.8 | Very low | 42.6 | Very low | 186 Ų | 186 | 147.8 Ų | 147.8 | 82% | 0.816 | 80% | 0.798 | S | S | * | * | trans | -117.6 | -6 | -168.7 | -97.3 | -85.7 | 0 | 0 | 0 | 118.2 | D458 M462 | D458-F460 PolarHBondContact OD1-N 3.5Å; F460-M462 PolarHBondContact O-N 2.9Å | ||
| 461 | D | 43.1 | Very low | 43.4 | Very low | 154 Ų | 154 | 149.9 Ų | 149.9 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | -91.3 | 83.1 | -177.3 | -158.6 | 5.7 | 0 | 0 | 0 | 113.4 | ||||
| 462 | M | 58.1 | Low | 43.7 | Very low | 167 Ų | 167 | 147.9 Ų | 147.9 | 82% | 0.823 | 79% | 0.792 | S | S | * | * | trans | -101.8 | 102.8 | 178.7 | -93.8 | -92.7 | -67.5 | 0 | 0 | 111.8 | F460 | F460-M462 PolarHBondContact O-N 2.9Š| ||
| 463 | K | 51.1 | Low | 44 | Very low | 197 Ų | 197 | 146.2 Ų | 146.2 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | trans | -162.2 | 157.4 | 156.5 | -77.9 | -151.2 | 179.6 | 177.9 | 0 | 113.6 | ||||
| 464 | P | 50.7 | Low | 44.4 | Very low | 115 Ų | 115 | 147.9 Ų | 147.9 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | cis | -119.2 | -178.8 | -26 | 36.6 | -21.1 | 0 | 0 | 0 | 112.2 | ||||
| 465 | F | 47.1 | Very low | 44.1 | Very low | 168 Ų | 168 | 147.6 Ų | 147.6 | 74% | 0.737 | 78% | 0.782 | S | S | * | * | trans | -102 | 18.4 | -154.5 | -159.6 | -104.5 | 0 | 0 | 0 | 116.1 | ||||
| 466 | E | 48.7 | Very low | 44 | Very low | 168 Ų | 168 | 151.4 Ų | 151.4 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -92.5 | -35.4 | -164.3 | -63.8 | -166.7 | 113.6 | 0 | 0 | 115.9 | A468 | E466-A468 PolarHBondContact O-N 2.87Š|
| 467 | D | 42.7 | Very low | 43.7 | Very low | 164 Ų | 164 | 150.8 Ų | 150.8 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | G | 310 helix | trans | -69.3 | -17.2 | -178.7 | -78.1 | -43.6 | 0 | 0 | 0 | 113.8 | L469 | D467-L469 PolarHBondContact O-N 2.88Å; D467-L469 VanDerWaalsContact O-N 3.13Å |
| 468 | A | 45.7 | Very low | 44 | Very low | 79 Ų | 79 | 143 Ų | 143 | 65% | 0.653 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -69.2 | -7.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | E466 | E466-A468 PolarHBondContact O-N 2.87Š|
| 469 | L | 43 | Very low | 45.1 | Very low | 131 Ų | 131 | 139.3 Ų | 139.3 | 69% | 0.686 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -106.5 | -3.6 | -171.5 | -63.9 | 179.6 | 0 | 0 | 0 | 115.2 | D467 V471 | D467-L469 PolarHBondContact O-N 2.88Å; D467-L469 VanDerWaalsContact O-N 3.13Å; L469-V471 VanDerWaalsContact C-N 3.33Å; L469-V471 PolarHBondContact O-N 2.87Å |
| 470 | R | 44.7 | Very low | 46.3 | Very low | 238 Ų | 238 | 133.4 Ų | 133.4 | 90% | 0.898 | 72% | 0.716 | S | S | * | * | trans | -87.9 | 70.2 | -178.2 | -150.9 | 171.5 | -163.1 | 126.4 | 4 | 112.9 | ||||
| 471 | V | 44.1 | Very low | 47.6 | Very low | 121 Ų | 121 | 125.5 Ų | 125.5 | 73% | 0.733 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 125.6 | 178.8 | 173.5 | 0 | 0 | 0 | 0 | 111.9 | L469 | L469-V471 VanDerWaalsContact C-N 3.33Å; L469-V471 PolarHBondContact O-N 2.87Å |
| 472 | P | 38.8 | Very low | 49 | Very low | 95 Ų | 95 | 123.4 Ų | 123.4 | 62% | 0.617 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -68 | 148.1 | 165.9 | 30.5 | -34 | 0 | 0 | 0 | 109.6 | ||
| 473 | P | 36.9 | Very low | 49.8 | Very low | 113 Ų | 113 | 120.7 Ų | 120.7 | 73% | 0.734 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 146.9 | -176.7 | 24.9 | -34.3 | 0 | 0 | 0 | 111.4 | ||
| 474 | P | 37.7 | Very low | 51.2 | Low | 104 Ų | 104 | 111.3 Ų | 111.3 | 68% | 0.675 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -59 | 156.6 | 175.9 | 28.2 | -35.9 | 0 | 0 | 0 | 110 | Q476 | P474-Q476 PolarHBondContact O-N 2.89Š|
| 475 | P | 38.5 | Very low | 52.4 | Low | 131 Ų | 131 | 113.9 Ų | 113.9 | 85% | 0.851 | 61% | 0.609 | S | S | * | * | trans | -57.9 | 108 | 171.4 | 25.8 | -33.5 | 0 | 0 | 0 | 108.5 | S477 | P475-S477 PolarHBondContact O-N 2.85Š| ||
| 476 | Q | 34.6 | Very low | 53.7 | Low | 172 Ų | 172 | 109.4 Ų | 109.4 | 80% | 0.804 | 61% | 0.611 | S | S | * | * | trans | -55.8 | 139.4 | 157.9 | -67.9 | 178.7 | -20 | 0 | 0 | 106.3 | P474 V478 | P474-Q476 PolarHBondContact O-N 2.89Å; Q476-V478 VanDerWaalsContact C-N 3.28Å; Q476-V478 PolarHBondContact O-N 2.87Å | ||
| 477 | S | 42.3 | Very low | 55.4 | Low | 116 Ų | 116 | 103.9 Ų | 103.9 | 81% | 0.811 | 59% | 0.585 | S | S | * | * | trans | -60.7 | 98.2 | 168.2 | 51.3 | 0 | 0 | 0 | 0 | 107.3 | P475 S479 | P475-S477 PolarHBondContact O-N 2.85Å; S477-S479 PolarHBondContact O-N 2.87Å; S477-S479 VanDerWaalsContact O-N 3.15Å | ||
| 478 | V | 48.6 | Very low | 57.4 | Low | 83 Ų | 83 | 98.9 Ų | 98.9 | 50% | 0.503 | 56% | 0.561 | S | S | . | * | trans | -48.9 | 124.9 | 168.5 | -76.4 | 0 | 0 | 0 | 0 | 106.5 | Q476 Q483 | Q476-V478 VanDerWaalsContact C-N 3.28Å; Q476-V478 PolarHBondContact O-N 2.87Å; V478-Q483 HydrophobicContact CB-CG 4.33Å; V478-Q483 HydrophobicContact CG2-CG 3.66Å | ||
| 479 | S | 63.3 | Low | 59.4 | Low | 53 Ų | 53 | 95.7 Ų | 95.7 | 37% | 0.371 | 53% | 0.532 | S | S | . | . | trans | -60.9 | 148.2 | -177.6 | 64.4 | 0 | 0 | 0 | 0 | 108.5 | S477 A481 E482 Q483 | S477-S479 PolarHBondContact O-N 2.87Å; S477-S479 VanDerWaalsContact O-N 3.15Å; S479-A481 PolarHBondContact O-N 3.3Å; S479-E482 VanDerWaalsContact CB-OE2 3.3Å; S479-E482 WeakPolarHBondContact CB-OE2 3.49Å; S479-E482 PolarHBondContact N-OE2 2.72Å; S479-E482 WeakPolarHBondContact O-CA 3.47Å; S479-E482 WeakPolarHBondContact O-CB 3.2Å; S479-E482 PolarHBondContact O-N 3.22Å; S479-E482 WeakPolarHBondContact OG-CG 3.4Å; S479-E482 PolarHBondContact OG-N 2.8Å; S479-E482 PolarHBondContact OG-OE2 2.82Å; S479-Q483 PolarHBondContact O-N 2.94Å | ||
| 480 | M | 70.1 | Confident | 61.6 | Low | 46 Ų | 46 | 89.6 Ų | 89.6 | 23% | 0.227 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -55.7 | -28.2 | 178.1 | -165.7 | 68.9 | -178.6 | 0 | 0 | 111.3 | Q483 L484 Y521 V543 V553 | M480-Q483 PolarHBondContact O-N 2.8Å; M480-Q483 PolarHBondContact SD-OE1 2.9Å; M480-L484 HydrophobicContact CE-CD1 4.29Å; M480-L484 HydrophobicContact CE-CD2 4.44Å; M480-L484 HydrophobicContact CE-CG 4.41Å; M480-L484 HydrophobicContact CG-CD1 3.9Å; M480-L484 HydrophobicContact CG-CG 4.4Å; M480-L484 WeakPolarHBondContact O-CB 3.39Å; M480-L484 WeakPolarHBondContact O-CG 3.43Å; M480-L484 PolarHBondContact O-N 3.02Å; M480-Y521 HydrophobicContact CB-CE2 3.74Å; M480-Y521 HydrophobicContact CG-CD2 4.28Å; M480-Y521 HydrophobicContact CG-CE2 3.78Å; M480-V543 HydrophobicContact CE-CG2 4.32Å; M480-V553 HydrophobicContact CE-CB 3.96Å; M480-V553 HydrophobicContact CE-CG2 3.81Å |
| 481 | A | 69.7 | Low | 63.6 | Low | 20 Ų | 20 | 79.8 Ų | 79.8 | 17% | 0.165 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -67.9 | -28.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | S479 R485 Y521 | S479-A481 PolarHBondContact O-N 3.3Å; A481-R485 WeakPolarHBondContact O-CB 3.1Å; A481-R485 WeakPolarHBondContact O-CG 3.35Å; A481-R485 PolarHBondContact O-N 2.87Å; A481-R485 VanDerWaalsContact O-N 3.1Å; A481-Y521 WeakPolarHBondContact CB-OH 3.37Å; A481-Y521 PolarHBondContact N-OH 3.47Å |
| 482 | E | 72.6 | Confident | 65.7 | Low | 110 Ų | 110 | 74.7 Ų | 74.7 | 51% | 0.514 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -79.1 | -38.1 | 174.6 | -73.9 | 161.5 | 122.3 | 0 | 0 | 111.6 | S479 R485 | S479-E482 VanDerWaalsContact CB-OE2 3.3Å; S479-E482 WeakPolarHBondContact CB-OE2 3.49Å; S479-E482 PolarHBondContact N-OE2 2.72Å; S479-E482 WeakPolarHBondContact O-CA 3.47Å; S479-E482 WeakPolarHBondContact O-CB 3.2Å; S479-E482 PolarHBondContact O-N 3.22Å; S479-E482 WeakPolarHBondContact OG-CG 3.4Å; S479-E482 PolarHBondContact OG-N 2.8Å; S479-E482 PolarHBondContact OG-OE2 2.82Å; E482-R485 PolarHBondContact O-N 3.13Å |
| 483 | Q | 75.3 | Confident | 67.9 | Low | 110 Ų | 110 | 77.3 Ų | 77.3 | 51% | 0.514 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.9 | -46.2 | 172.9 | -64.1 | -176.2 | -55.3 | 0 | 0 | 111.1 | V478 S479 M480 R485 | V478-Q483 HydrophobicContact CB-CG 4.33Å; V478-Q483 HydrophobicContact CG2-CG 3.66Å; S479-Q483 PolarHBondContact O-N 2.94Å; M480-Q483 PolarHBondContact O-N 2.8Å; M480-Q483 PolarHBondContact SD-OE1 2.9Å; Q483-R485 VanDerWaalsContact C-N 3.3Å; Q483-R485 PolarHBondContact O-N 3.27Å |
| 484 | L | 80 | Confident | 70.4 | Confident | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -75.5 | -15 | 179.1 | -62 | 171.5 | 0 | 0 | 0 | 113.5 | M480 G486 E487 W489 F490 Y521 V553 | M480-L484 HydrophobicContact CE-CD1 4.29Å; M480-L484 HydrophobicContact CE-CD2 4.44Å; M480-L484 HydrophobicContact CE-CG 4.41Å; M480-L484 HydrophobicContact CG-CD1 3.9Å; M480-L484 HydrophobicContact CG-CG 4.4Å; M480-L484 WeakPolarHBondContact O-CB 3.39Å; M480-L484 WeakPolarHBondContact O-CG 3.43Å; M480-L484 PolarHBondContact O-N 3.02Å; L484-G486 PolarHBondContact O-N 3.4Å; L484-E487 HydrophobicContact CD2-CG 4.4Å; L484-E487 WeakPolarHBondContact O-CB 3.46Å; L484-E487 PolarHBondContact O-N 3.08Å; L484-W489 HydrophobicContact CD2-CH2 3.58Å; L484-W489 HydrophobicContact CD2-CZ3 3.99Å; L484-F490 VanDerWaalsContact C-CD1 3.46Å; L484-F490 HydrophobicContact CB-CB 4.3Å; L484-F490 HydrophobicContact CB-CD1 3.8Å; L484-F490 HydrophobicContact CB-CD2 3.91Å; L484-F490 HydrophobicContact CB-CE1 4.01Å; L484-F490 HydrophobicContact CB-CE2 4.15Å; L484-F490 HydrophobicContact CB-CG 3.72Å; L484-F490 HydrophobicContact CB-CZ 4.17Å; L484-F490 HydrophobicContact CD1-CD2 4.33Å; L484-F490 HydrophobicContact CD1-CE2 4.23Å; L484-F490 VanDerWaalsContact O-CB 3.23Å; L484-F490 WeakPolarHBondContact O-CB 3.28Å; L484-F490 WeakPolarHBondContact O-CD1 3.48Å; L484-F490 WeakPolarHBondContact O-CG 3.37Å; L484-Y521 HydrophobicContact CD1-CD1 3.68Å; L484-Y521 HydrophobicContact CD1-CE1 3.76Å; L484-Y521 HydrophobicContact CD1-CG 4.22Å; L484-V553 HydrophobicContact CD1-CB 4.35Å; L484-V553 HydrophobicContact CD2-CB 3.89Å; L484-V553 HydrophobicContact CD2-CG1 4.13Å |
| 485 | R | 75.9 | Confident | 72.8 | Confident | 170 Ų | 170 | 69.9 Ų | 69.9 | 64% | 0.642 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -27.6 | -174.8 | -116 | 171.6 | 167.5 | -167.4 | -7 | 114.7 | A481 E482 Q483 F490 R582 | A481-R485 WeakPolarHBondContact O-CB 3.1Å; A481-R485 WeakPolarHBondContact O-CG 3.35Å; A481-R485 PolarHBondContact O-N 2.87Å; A481-R485 VanDerWaalsContact O-N 3.1Å; E482-R485 PolarHBondContact O-N 3.13Å; Q483-R485 VanDerWaalsContact C-N 3.3Å; Q483-R485 PolarHBondContact O-N 3.27Å; R485-F490 HydrophobicContact CG-CE1 4.35Å; R485-R582 PolarHBondContact O-NH1 2.97Å; R485-R582 VanDerWaalsContact O-NH1 3.07Å; R485-R582 PolarHBondContact O-NH2 3.42Å |
| 486 | G | 74.9 | Confident | 75.1 | Confident | 74 Ų | 74 | 70.1 Ų | 70.1 | 76% | 0.763 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -10.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L484 | L484-G486 PolarHBondContact O-N 3.4Š|
| 487 | E | 84.3 | Confident | 77.7 | Confident | 51 Ų | 51 | 71.8 Ų | 71.8 | 24% | 0.238 | 37% | 0.372 | C | S | . | . | trans | -80 | 134.2 | -178.4 | -62.8 | -74.6 | -176.2 | 0 | 0 | 111.2 | L484 W489 F490 S554 | L484-E487 HydrophobicContact CD2-CG 4.4Å; L484-E487 WeakPolarHBondContact O-CB 3.46Å; L484-E487 PolarHBondContact O-N 3.08Å; E487-W489 VanDerWaalsContact C-N 3.3Å; E487-W489 HydrophobicContact CB-CD2 3.93Å; E487-W489 HydrophobicContact CB-CE3 4.27Å; E487-W489 HydrophobicContact CB-CG 4.49Å; E487-W489 HydrophobicContact CB-CH2 4.08Å; E487-W489 HydrophobicContact CB-CZ2 3.71Å; E487-W489 HydrophobicContact CB-CZ3 4.33Å; E487-W489 HydrophobicContact CG-CH2 3.75Å; E487-W489 HydrophobicContact CG-CZ2 3.4Å; E487-W489 HydrophobicContact CG-CZ3 4.44Å; E487-W489 PolarHBondContact O-N 3.36Å; E487-W489 WeakPolarHBondContact OE2-CZ2 3.32Å; E487-W489 PolarHBondContact OE2-NE1 3.15Å; E487-F490 HydrophobicContact CB-CB 3.97Å; E487-F490 PolarHBondContact O-N 3.29Å; E487-S554 WeakPolarHBondContact OE1-CB 3.28Å; E487-S554 PolarHBondContact OE1-OG 2.97Å | ||
| 488 | P | 83.8 | Confident | 79.9 | Confident | 59 Ų | 59 | 71.1 Ų | 71.1 | 38% | 0.383 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -33.1 | -177.9 | 26.4 | -33.4 | 0 | 0 | 0 | 112 | F490 E581 R582 | P488-F490 VanDerWaalsContact C-N 3.29Å; P488-F490 PolarHBondContact O-N 2.91Å; P488-E581 HydrophobicContact CB-CG 4.43Å; P488-E581 CarbonylContact O-C 3.49Å; P488-E581 WeakPolarHBondContact O-CA 3.47Å; P488-R582 PolarHBondContact O-N 2.95Å |
| 489 | W | 88.8 | Confident | 81.9 | Confident | 13 Ų | 13 | 67.2 Ų | 67.2 | 5% | 0.049 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 0.6 | 178.3 | 45.8 | -95.6 | 0 | 0 | 0 | 114.2 | L484 E487 F509 L510 V511 V553 I557 P579 | L484-W489 HydrophobicContact CD2-CH2 3.58Å; L484-W489 HydrophobicContact CD2-CZ3 3.99Å; E487-W489 VanDerWaalsContact C-N 3.3Å; E487-W489 HydrophobicContact CB-CD2 3.93Å; E487-W489 HydrophobicContact CB-CE3 4.27Å; E487-W489 HydrophobicContact CB-CG 4.49Å; E487-W489 HydrophobicContact CB-CH2 4.08Å; E487-W489 HydrophobicContact CB-CZ2 3.71Å; E487-W489 HydrophobicContact CB-CZ3 4.33Å; E487-W489 HydrophobicContact CG-CH2 3.75Å; E487-W489 HydrophobicContact CG-CZ2 3.4Å; E487-W489 HydrophobicContact CG-CZ3 4.44Å; E487-W489 PolarHBondContact O-N 3.36Å; E487-W489 WeakPolarHBondContact OE2-CZ2 3.32Å; E487-W489 PolarHBondContact OE2-NE1 3.15Å; W489-F509 HydrophobicContact CB-CE2 3.87Å; W489-F509 HydrophobicContact CB-CZ 4.43Å; W489-F509 HydrophobicContact CD2-CE2 4.41Å; W489-F509 AromaticContact CG-CE2 3.98Å; W489-F509 HydrophobicContact CG-CE2 3.98Å; W489-F509 HydrophobicContact CG-CZ 4.46Å; W489-L510 WeakPolarHBondContact O-CA 3.49Å; W489-V511 HydrophobicContact CE3-CB 3.7Å; W489-V511 HydrophobicContact CE3-CG2 3.52Å; W489-V511 HydrophobicContact CZ3-CB 3.73Å; W489-V511 HydrophobicContact CZ3-CG1 4.38Å; W489-V511 HydrophobicContact CZ3-CG2 3.53Å; W489-V511 PolarHBondContact O-N 3.47Å; W489-V553 HydrophobicContact CH2-CG1 3.82Å; W489-V553 HydrophobicContact CZ3-CG1 3.85Å; W489-I557 HydrophobicContact CD2-CG1 4.45Å; W489-I557 HydrophobicContact CD2-CG2 4.48Å; W489-I557 HydrophobicContact CE3-CG1 4.34Å; W489-I557 HydrophobicContact CH2-CG1 3.93Å; W489-I557 HydrophobicContact CZ2-CB 4.22Å; W489-I557 HydrophobicContact CZ2-CG1 4.04Å; W489-I557 HydrophobicContact CZ2-CG2 4.43Å; W489-I557 HydrophobicContact CZ3-CG1 4.09Å; W489-P579 HydrophobicContact CB-CB 3.84Å; W489-P579 HydrophobicContact CG-CB 4.39Å |
| 490 | F | 89.2 | Confident | 83.2 | Confident | 3 Ų | 3 | 67.1 Ų | 67.1 | 1% | 0.013 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 112.3 | -179.3 | 179.4 | -109.4 | 0 | 0 | 0 | 112.7 | L484 R485 E487 P488 V511 Y521 R582 | L484-F490 VanDerWaalsContact C-CD1 3.46Å; L484-F490 HydrophobicContact CB-CB 4.3Å; L484-F490 HydrophobicContact CB-CD1 3.8Å; L484-F490 HydrophobicContact CB-CD2 3.91Å; L484-F490 HydrophobicContact CB-CE1 4.01Å; L484-F490 HydrophobicContact CB-CE2 4.15Å; L484-F490 HydrophobicContact CB-CG 3.72Å; L484-F490 HydrophobicContact CB-CZ 4.17Å; L484-F490 HydrophobicContact CD1-CD2 4.33Å; L484-F490 HydrophobicContact CD1-CE2 4.23Å; L484-F490 VanDerWaalsContact O-CB 3.23Å; L484-F490 WeakPolarHBondContact O-CB 3.28Å; L484-F490 WeakPolarHBondContact O-CD1 3.48Å; L484-F490 WeakPolarHBondContact O-CG 3.37Å; R485-F490 HydrophobicContact CG-CE1 4.35Å; E487-F490 HydrophobicContact CB-CB 3.97Å; E487-F490 PolarHBondContact O-N 3.29Å; P488-F490 VanDerWaalsContact C-N 3.29Å; P488-F490 PolarHBondContact O-N 2.91Å; F490-V511 WeakPolarHBondContact CA-O 3.36Å; F490-V511 HydrophobicContact CD2-CB 4.24Å; F490-V511 HydrophobicContact CD2-CG1 4.08Å; F490-V511 WeakPolarHBondContact CD2-O 3.28Å; F490-V511 HydrophobicContact CE2-CG1 4.49Å; F490-Y521 AromaticContact CE2-CD1 3.82Å; F490-Y521 HydrophobicContact CE2-CD1 3.82Å; F490-Y521 AromaticContact CE2-CE1 3.81Å; F490-Y521 HydrophobicContact CE2-CE1 3.81Å; F490-Y521 HydrophobicContact CZ-CD1 4.42Å; F490-Y521 AromaticContact CZ-CE1 3.94Å; F490-Y521 HydrophobicContact CZ-CE1 3.94Å; F490-R582 WeakPolarHBondContact O-CD 3.49Å; F490-R582 PolarHBondContact O-NH1 2.88Å |
| 491 | H | 87.1 | Confident | 84.1 | Confident | 31 Ų | 31 | 68.7 Ų | 68.7 | 14% | 0.144 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | -2.3 | -174.7 | -70.5 | -115 | 0 | 0 | 0 | 113.8 | L494 V511 V580 E581 R582 | H491-L494 HydrophobicContact CB-CB 4.13Å; H491-L494 HydrophobicContact CB-CD2 3.86Å; H491-V511 PolarHBondContact N-O 3.11Å; H491-V580 PolarHBondContact NE2-O 3.02Å; H491-E581 PolarHBondContact CE1-O 3.46Å; H491-R582 VanDerWaalsContact CE1-CA 3.49Å; H491-R582 WeakPolarHBondContact CE1-CA 3.13Å; H491-R582 PolarHBondContact NE2-N 3.42Å |
| 492 | G | 87 | Confident | 85 | Confident | 14 Ų | 14 | 70.8 Ų | 70.8 | 14% | 0.144 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 65.3 | -135.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L494 R512 E513 | G492-L494 VanDerWaalsContact C-N 3.32Å; G492-L494 PolarHBondContact O-N 3.37Å; G492-R512 CarbonylContact O-C 3.58Å; G492-R512 VanDerWaalsContact O-CA 3.32Å; G492-R512 WeakPolarHBondContact O-CA 3.41Å; G492-R512 WeakPolarHBondContact O-CB 3.27Å; G492-E513 PolarHBondContact O-N 2.86Å |
| 493 | K | 86.1 | Confident | 85.8 | Confident | 151 Ų | 151 | 66.2 Ų | 66.2 | 66% | 0.657 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -78.7 | 75.5 | -174.8 | -66.2 | -176.1 | 177.1 | -177.3 | 0 | 112.2 | E513 | K493-E513 WeakPolarHBondContact CE-OE1 3.44Å; K493-E513 WeakPolarHBondContact CE-OE2 3.46Å; K493-E513 HydrophobicContact CG-CB 4.15Å; K493-E513 HydrophobicContact CG-CG 4.43Å; K493-E513 WeakPolarHBondContact CG-OE2 3.15Å; K493-E513 IonicContact NZ-OE1 3.76Å |
| 494 | L | 88.2 | Confident | 86.3 | Confident | 25 Ų | 25 | 68.6 Ų | 68.6 | 13% | 0.131 | 35% | 0.345 | C | S | . | . | trans | -103.3 | 134.7 | 177.3 | -166.3 | 68.3 | 0 | 0 | 0 | 110.8 | H491 G492 E498 A499 L502 L510 R512 | H491-L494 HydrophobicContact CB-CB 4.13Å; H491-L494 HydrophobicContact CB-CD2 3.86Å; G492-L494 VanDerWaalsContact C-N 3.32Å; G492-L494 PolarHBondContact O-N 3.37Å; L494-E498 HydrophobicContact CD1-CB 3.59Å; L494-E498 HydrophobicContact CD1-CG 4.44Å; L494-E498 HydrophobicContact CG-CB 3.94Å; L494-A499 HydrophobicContact CD2-CB 3.81Å; L494-A499 HydrophobicContact CG-CB 4.35Å; L494-L502 HydrophobicContact CD2-CD1 3.9Å; L494-L510 HydrophobicContact CD2-CD1 3.97Å; L494-L510 HydrophobicContact CD2-CD2 4.17Å; L494-R512 HydrophobicContact CB-CB 3.86Å; L494-R512 WeakPolarHBondContact O-CD 3.29Å; L494-R512 PolarHBondContact O-NH1 3.1Å | ||
| 495 | S | 87.6 | Confident | 86.6 | Confident | 36 Ų | 36 | 73.6 Ų | 73.6 | 25% | 0.252 | 37% | 0.37 | S | S | . | . | trans | -71 | 166.3 | 176.3 | 79.8 | 0 | 0 | 0 | 0 | 111.7 | R497 E498 A499 | S495-R497 PolarHBondContact O-N 3.19Å; S495-E498 WeakPolarHBondContact CA-OE2 3.23Å; S495-E498 WeakPolarHBondContact CB-OE2 3.29Å; S495-E498 PolarHBondContact N-OE2 2.91Å; S495-E498 WeakPolarHBondContact OG-CG 3.13Å; S495-E498 PolarHBondContact OG-N 2.97Å; S495-E498 PolarHBondContact OG-OE2 3.41Å; S495-A499 WeakPolarHBondContact O-CB 3.35Å; S495-A499 PolarHBondContact O-N 3.01Å; S495-A499 VanDerWaalsContact O-N 3.11Å | ||
| 496 | R | 87.9 | Confident | 87.2 | Confident | 135 Ų | 135 | 69.7 Ų | 69.7 | 51% | 0.509 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.5 | -46 | 177.7 | -177.5 | -177.5 | 162.3 | 160.4 | 6 | 112 | A499 E500 H533 | R496-A499 PolarHBondContact O-N 3.42Å; R496-E500 HydrophobicContact CG-CG 4.41Å; R496-E500 IonicContact CZ-OE1 3.12Å; R496-E500 IonicContact NE-OE1 2.75Å; R496-E500 PolarHBondContact NE-OE1 3.12Å; R496-E500 IonicContact NE-OE2 3.75Å; R496-E500 IonicContact NH2-OE1 3.16Å; R496-E500 PolarHBondContact NH2-OE1 3.32Å; R496-E500 VanDerWaalsContact O-CG 3.28Å; R496-E500 WeakPolarHBondContact O-CG 3.44Å; R496-E500 PolarHBondContact O-N 2.84Å; R496-H533 PolarHBondContact NE-NE2 3.43Å; R496-H533 PolarHBondContact NH2-NE2 2.89Å |
| 497 | R | 89.4 | Confident | 87.6 | Confident | 208 Ų | 208 | 66.2 Ų | 66.2 | 79% | 0.785 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -69.4 | -38.9 | -174.8 | -61.3 | -178 | -168.7 | 154.3 | 1.9 | 112.6 | S495 A499 E500 A501 | S495-R497 PolarHBondContact O-N 3.19Å; R497-A499 VanDerWaalsContact C-N 3.35Å; R497-E500 PolarHBondContact O-N 3.4Å; R497-A501 WeakPolarHBondContact O-CB 3.31Å; R497-A501 PolarHBondContact O-N 3.39Å |
| 498 | E | 89.1 | Confident | 87.9 | Confident | 102 Ų | 102 | 64 Ų | 64 | 48% | 0.477 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.5 | -41.2 | 176 | -65.2 | 156.5 | 143.3 | 0 | 0 | 110.4 | L494 S495 A501 L502 | L494-E498 HydrophobicContact CD1-CB 3.59Å; L494-E498 HydrophobicContact CD1-CG 4.44Å; L494-E498 HydrophobicContact CG-CB 3.94Å; S495-E498 WeakPolarHBondContact CA-OE2 3.23Å; S495-E498 WeakPolarHBondContact CB-OE2 3.29Å; S495-E498 PolarHBondContact N-OE2 2.91Å; S495-E498 WeakPolarHBondContact OG-CG 3.13Å; S495-E498 PolarHBondContact OG-N 2.97Å; S495-E498 PolarHBondContact OG-OE2 3.41Å; E498-A501 PolarHBondContact O-N 3.29Å; E498-L502 WeakPolarHBondContact O-CG 3.06Å; E498-L502 PolarHBondContact O-N 2.99Å; E498-L502 VanDerWaalsContact O-N 3.17Å |
| 499 | A | 89.6 | Confident | 88.3 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L494 S495 R496 R497 A501 L502 L503 L510 T524 | L494-A499 HydrophobicContact CD2-CB 3.81Å; L494-A499 HydrophobicContact CG-CB 4.35Å; S495-A499 WeakPolarHBondContact O-CB 3.35Å; S495-A499 PolarHBondContact O-N 3.01Å; S495-A499 VanDerWaalsContact O-N 3.11Å; R496-A499 PolarHBondContact O-N 3.42Å; R497-A499 VanDerWaalsContact C-N 3.35Å; A499-A501 VanDerWaalsContact C-N 3.32Å; A499-A501 PolarHBondContact O-N 2.84Å; A499-L502 PolarHBondContact O-N 3.46Å; A499-L503 WeakPolarHBondContact O-CG 3.4Å; A499-L510 HydrophobicContact CB-CD1 3.98Å; A499-L510 HydrophobicContact CB-CD2 4.37Å; A499-T524 HydrophobicContact CB-CG2 3.67Å |
| 500 | E | 91.1 | Very high | 88.5 | Confident | 52 Ų | 52 | 60.6 Ų | 60.6 | 24% | 0.243 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.3 | -38.4 | 174.1 | -72.1 | 166.7 | 150.5 | 0 | 0 | 112.2 | R496 R497 L502 L503 P531 H533 | R496-E500 HydrophobicContact CG-CG 4.41Å; R496-E500 IonicContact CZ-OE1 3.12Å; R496-E500 IonicContact NE-OE1 2.75Å; R496-E500 PolarHBondContact NE-OE1 3.12Å; R496-E500 IonicContact NE-OE2 3.75Å; R496-E500 IonicContact NH2-OE1 3.16Å; R496-E500 PolarHBondContact NH2-OE1 3.32Å; R496-E500 VanDerWaalsContact O-CG 3.28Å; R496-E500 WeakPolarHBondContact O-CG 3.44Å; R496-E500 PolarHBondContact O-N 2.84Å; R497-E500 PolarHBondContact O-N 3.4Å; E500-L502 VanDerWaalsContact C-N 3.33Å; E500-L502 PolarHBondContact O-N 2.7Å; E500-L503 PolarHBondContact O-N 2.73Å; E500-P531 HydrophobicContact CG-CB 3.89Å; E500-P531 HydrophobicContact CG-CG 4.07Å; E500-H533 IonicContact OE1-CE1 2.57Å; E500-H533 IonicContact OE1-NE2 3.6Å; E500-H533 PolarHBondContact OE1-NE2 3.13Å; E500-H533 VanDerWaalsContact OE1-NE2 3.16Å |
| 501 | A | 89.4 | Confident | 88.6 | Confident | 78 Ų | 78 | 60.5 Ų | 60.5 | 65% | 0.645 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -76.9 | -13.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | R497 E498 A499 | R497-A501 WeakPolarHBondContact O-CB 3.31Å; R497-A501 PolarHBondContact O-N 3.39Å; E498-A501 PolarHBondContact O-N 3.29Å; A499-A501 VanDerWaalsContact C-N 3.32Å; A499-A501 PolarHBondContact O-N 2.84Å |
| 502 | L | 88.2 | Confident | 88.7 | Confident | 64 Ų | 64 | 59.9 Ų | 59.9 | 34% | 0.335 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -89.7 | -15.2 | 175.3 | -72.4 | 176.6 | 0 | 0 | 0 | 113.4 | L494 E498 A499 E500 L510 V580 | L494-L502 HydrophobicContact CD2-CD1 3.9Å; E498-L502 WeakPolarHBondContact O-CG 3.06Å; E498-L502 PolarHBondContact O-N 2.99Å; E498-L502 VanDerWaalsContact O-N 3.17Å; A499-L502 PolarHBondContact O-N 3.46Å; E500-L502 VanDerWaalsContact C-N 3.33Å; E500-L502 PolarHBondContact O-N 2.7Å; L502-L510 HydrophobicContact CB-CD2 4.06Å; L502-L510 HydrophobicContact CD1-CD2 4.1Å; L502-V580 HydrophobicContact CB-CG1 4.14Å |
| 503 | L | 89.4 | Confident | 88.7 | Confident | 15 Ų | 15 | 60.2 Ų | 60.2 | 8% | 0.079 | 29% | 0.29 | C | S | . | . | trans | -86.7 | 129.8 | 176.3 | -56.6 | 168.7 | 0 | 0 | 0 | 109.7 | A499 E500 D508 T524 L526 V580 | A499-L503 WeakPolarHBondContact O-CG 3.4Å; E500-L503 PolarHBondContact O-N 2.73Å; L503-D508 HydrophobicContact CB-CB 4.36Å; L503-D508 HydrophobicContact CD2-CB 3.67Å; L503-T524 HydrophobicContact CD1-CG2 3.85Å; L503-L526 HydrophobicContact CB-CB 3.9Å; L503-L526 HydrophobicContact CB-CD2 4.05Å; L503-L526 HydrophobicContact CD1-CB 4.08Å; L503-L526 HydrophobicContact CG-CB 4.43Å; L503-V580 HydrophobicContact CD2-CG2 4.08Å | ||
| 504 | Q | 86.3 | Confident | 88.5 | Confident | 160 Ų | 160 | 53.6 Ų | 53.6 | 75% | 0.748 | 26% | 0.263 | S | S | * | . | trans | -126 | -34.5 | -176.1 | -59.2 | -174.1 | 9.4 | 0 | 0 | 112.8 | D508 | Q504-D508 PolarHBondContact N-OD2 3.21Š| ||
| 505 | L | 86.3 | Confident | 87.9 | Confident | 104 Ų | 104 | 56.8 Ų | 56.8 | 55% | 0.545 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -115.5 | 153 | -176.4 | -58 | 179.3 | 0 | 0 | 0 | 111.5 | G507 D508 | L505-G507 PolarHBondContact O-N 2.66Å; L505-D508 PolarHBondContact N-OD2 3.11Å; L505-D508 VanDerWaalsContact O-CB 3.29Å; L505-D508 WeakPolarHBondContact O-CB 3.49Å; L505-D508 PolarHBondContact O-N 2.83Å; L505-D508 VanDerWaalsContact O-N 3.13Å |
| 506 | N | 86.9 | Confident | 87.3 | Confident | 89 Ų | 89 | 60.7 Ų | 60.7 | 48% | 0.476 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | 127.9 | 172.5 | -63.8 | -69 | 0 | 0 | 0 | 109.3 | L526 S528 G529 | N506-L526 CarbonylContact C-O 3.52Å; N506-L526 WeakPolarHBondContact CA-O 3.42Å; N506-S528 WeakPolarHBondContact OD1-CA 3.42Å; N506-S528 PolarHBondContact OD1-N 3.48Å; N506-G529 PolarHBondContact OD1-N 3.38Å |
| 507 | G | 83.6 | Confident | 86.6 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 95.4 | -7.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | L505 L526 Q577 Q578 | L505-G507 PolarHBondContact O-N 2.66Å; G507-L526 PolarHBondContact N-O 2.83Å; G507-Q577 PolarHBondContact O-N 3.2Å; G507-Q578 PolarHBondContact O-N 2.87Å |
| 508 | D | 91.4 | Very high | 85.8 | Confident | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.027 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 140.8 | 166.5 | -79.8 | -16.2 | 0 | 0 | 0 | 110.3 | L503 Q504 L505 G525 L526 Q578 V580 | L503-D508 HydrophobicContact CB-CB 4.36Å; L503-D508 HydrophobicContact CD2-CB 3.67Å; Q504-D508 PolarHBondContact N-OD2 3.21Å; L505-D508 PolarHBondContact N-OD2 3.11Å; L505-D508 VanDerWaalsContact O-CB 3.29Å; L505-D508 WeakPolarHBondContact O-CB 3.49Å; L505-D508 PolarHBondContact O-N 2.83Å; L505-D508 VanDerWaalsContact O-N 3.13Å; D508-G525 CarbonylContact O-C 3.52Å; D508-G525 WeakPolarHBondContact O-CA 3.5Å; D508-L526 PolarHBondContact O-N 2.83Å; D508-Q578 CarbonylContact C-O 3.52Å; D508-Q578 WeakPolarHBondContact CA-O 3.43Å; D508-Q578 PolarHBondContact OD1-NE2 3.43Å; D508-V580 HydrophobicContact CB-CG2 3.8Å |
| 509 | F | 92.3 | Very high | 85 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 158.7 | 172.4 | 75.9 | -85.5 | 0 | 0 | 0 | 114 | W489 L523 T524 I557 M561 L576 Q578 P579 V580 | W489-F509 HydrophobicContact CB-CE2 3.87Å; W489-F509 HydrophobicContact CB-CZ 4.43Å; W489-F509 HydrophobicContact CD2-CE2 4.41Å; W489-F509 AromaticContact CG-CE2 3.98Å; W489-F509 HydrophobicContact CG-CE2 3.98Å; W489-F509 HydrophobicContact CG-CZ 4.46Å; F509-L523 HydrophobicContact CB-CD1 3.93Å; F509-L523 HydrophobicContact CD2-CD1 3.68Å; F509-L523 HydrophobicContact CG-CD1 4.17Å; F509-T524 CarbonylContact C-O 3.57Å; F509-T524 WeakPolarHBondContact CA-O 3.43Å; F509-I557 HydrophobicContact CD2-CD1 4.22Å; F509-I557 HydrophobicContact CE2-CD1 3.96Å; F509-I557 HydrophobicContact CE2-CG1 4.41Å; F509-I557 HydrophobicContact CE2-CG2 3.52Å; F509-I557 HydrophobicContact CZ-CG2 3.5Å; F509-I557 VanDerWaalsContact CZ-CG2 3.5Å; F509-M561 HydrophobicContact CE1-CE 4.22Å; F509-M561 HydrophobicContact CE1-CG 4.11Å; F509-M561 HydrophobicContact CE1-SD 3.67Å; F509-M561 HydrophobicContact CZ-CE 4.4Å; F509-M561 HydrophobicContact CZ-CG 4.28Å; F509-M561 HydrophobicContact CZ-SD 3.45Å; F509-M561 WeakPolarHBondContact CZ-SD 3.41Å; F509-L576 HydrophobicContact CB-CD2 3.78Å; F509-L576 HydrophobicContact CD1-CB 3.86Å; F509-L576 HydrophobicContact CD1-CD2 3.97Å; F509-L576 HydrophobicContact CD1-CG 4.34Å; F509-L576 HydrophobicContact CD2-CD1 4.46Å; F509-L576 HydrophobicContact CD2-CD2 4.35Å; F509-L576 HydrophobicContact CE1-CB 3.97Å; F509-L576 HydrophobicContact CG-CB 4.46Å; F509-L576 HydrophobicContact CG-CD2 3.75Å; F509-L576 HydrophobicContact CG-CG 4.46Å; F509-Q578 WeakPolarHBondContact CD1-O 3.23Å; F509-Q578 PolarHBondContact N-O 2.74Å; F509-P579 HydrophobicContact CE1-CB 4.09Å; F509-P579 HydrophobicContact CE2-CB 4.46Å; F509-P579 HydrophobicContact CZ-CB 3.79Å; F509-V580 PolarHBondContact O-N 3.31Å |
| 510 | L | 91.8 | Very high | 84.6 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 160.7 | 168 | 64.3 | 87.9 | 0 | 0 | 0 | 111.4 | W489 L494 A499 L502 R512 T524 V580 | W489-L510 WeakPolarHBondContact O-CA 3.49Å; L494-L510 HydrophobicContact CD2-CD1 3.97Å; L494-L510 HydrophobicContact CD2-CD2 4.17Å; A499-L510 HydrophobicContact CB-CD1 3.98Å; A499-L510 HydrophobicContact CB-CD2 4.37Å; L502-L510 HydrophobicContact CB-CD2 4.06Å; L502-L510 HydrophobicContact CD1-CD2 4.1Å; L510-R512 HydrophobicContact CD1-CB 4.19Å; L510-R512 HydrophobicContact CD1-CG 4.46Å; L510-T524 PolarHBondContact N-O 2.97Å; L510-T524 PolarHBondContact O-N 3.02Å; L510-V580 HydrophobicContact CB-CB 4.38Å; L510-V580 HydrophobicContact CD2-CB 4.45Å; L510-V580 HydrophobicContact CD2-CG1 4.42Å |
| 511 | V | 91 | Very high | 84.4 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 136.2 | 171.2 | -179.1 | 0 | 0 | 0 | 0 | 110.5 | W489 F490 H491 L523 L536 V553 I557 | W489-V511 HydrophobicContact CE3-CB 3.7Å; W489-V511 HydrophobicContact CE3-CG2 3.52Å; W489-V511 HydrophobicContact CZ3-CB 3.73Å; W489-V511 HydrophobicContact CZ3-CG1 4.38Å; W489-V511 HydrophobicContact CZ3-CG2 3.53Å; W489-V511 PolarHBondContact O-N 3.47Å; F490-V511 WeakPolarHBondContact CA-O 3.36Å; F490-V511 HydrophobicContact CD2-CB 4.24Å; F490-V511 HydrophobicContact CD2-CG1 4.08Å; F490-V511 WeakPolarHBondContact CD2-O 3.28Å; F490-V511 HydrophobicContact CE2-CG1 4.49Å; H491-V511 PolarHBondContact N-O 3.11Å; V511-L523 HydrophobicContact CG2-CB 4.38Å; V511-L523 HydrophobicContact CG2-CD1 4.01Å; V511-L536 HydrophobicContact CB-CD1 4.45Å; V511-L536 HydrophobicContact CG1-CD1 3.66Å; V511-L536 HydrophobicContact CG2-CD1 3.86Å; V511-V553 HydrophobicContact CG1-CG1 4.41Å; V511-V553 HydrophobicContact CG2-CG1 4.23Å; V511-I557 HydrophobicContact CG2-CD1 4.04Å; V511-I557 HydrophobicContact CG2-CG1 4.45Å |
| 512 | R | 89.8 | Confident | 84.3 | Confident | 18 Ų | 18 | 46.6 Ų | 46.6 | 7% | 0.068 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 149.9 | 178.4 | 66 | -163 | -174.5 | 73.7 | 10.4 | 111.8 | G492 L494 L510 V522 T524 | G492-R512 CarbonylContact O-C 3.58Å; G492-R512 VanDerWaalsContact O-CA 3.32Å; G492-R512 WeakPolarHBondContact O-CA 3.41Å; G492-R512 WeakPolarHBondContact O-CB 3.27Å; L494-R512 HydrophobicContact CB-CB 3.86Å; L494-R512 WeakPolarHBondContact O-CD 3.29Å; L494-R512 PolarHBondContact O-NH1 3.1Å; L510-R512 HydrophobicContact CD1-CB 4.19Å; L510-R512 HydrophobicContact CD1-CG 4.46Å; R512-V522 HydrophobicContact CG-CB 4.32Å; R512-V522 PolarHBondContact N-O 2.82Å; R512-V522 PolarHBondContact O-N 3.09Å; R512-T524 PolarHBondContact NE-OG1 3.4Å; R512-T524 VanDerWaalsContact NE-OG1 3.15Å |
| 513 | E | 87.5 | Confident | 84.5 | Confident | 21 Ų | 21 | 43.6 Ų | 43.6 | 10% | 0.098 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 140.6 | 167.4 | -168.1 | -172.5 | 161.4 | 0 | 0 | 109.3 | G492 K493 T515 Y521 | G492-E513 PolarHBondContact O-N 2.86Å; K493-E513 WeakPolarHBondContact CE-OE1 3.44Å; K493-E513 WeakPolarHBondContact CE-OE2 3.46Å; K493-E513 HydrophobicContact CG-CB 4.15Å; K493-E513 HydrophobicContact CG-CG 4.43Å; K493-E513 WeakPolarHBondContact CG-OE2 3.15Å; K493-E513 IonicContact NZ-OE1 3.76Å; E513-T515 PolarHBondContact O-N 3.36Å; E513-Y521 HydrophobicContact CB-CE1 4.45Å |
| 514 | S | 80.8 | Confident | 84.5 | Confident | 13 Ų | 13 | 42.9 Ų | 42.9 | 9% | 0.091 | 25% | 0.246 | C | C | . | . | trans | -70 | 122 | 177.2 | 179.3 | 0 | 0 | 0 | 0 | 111.4 | T516 T517 Q520 | S514-T516 PolarHBondContact O-N 2.82Å; S514-T516 PolarHBondContact OG-OG1 3.04Å; S514-T516 VanDerWaalsContact OG-OG1 3.13Å; S514-T517 WeakPolarHBondContact CB-O 3.18Å; S514-T517 WeakPolarHBondContact CB-OG1 3.37Å; S514-T517 CarbonylContact O-C 3.55Å; S514-T517 PolarHBondContact O-N 2.86Å; S514-T517 PolarHBondContact OG-N 2.79Å; S514-T517 PolarHBondContact OG-OG1 3.11Å; S514-Q520 PolarHBondContact N-O 3.41Å | ||
| 515 | T | 77.5 | Confident | 84.8 | Confident | 91 Ų | 91 | 35.2 Ų | 35.2 | 56% | 0.558 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -69.1 | -19 | 178 | 53.9 | 0 | 0 | 0 | 0 | 113.6 | E513 | E513-T515 PolarHBondContact O-N 3.36Š|
| 516 | T | 74.2 | Confident | 85 | Confident | 119 Ų | 119 | 31.2 Ų | 31.2 | 73% | 0.73 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -94.7 | -19.7 | 177.9 | 52.2 | 0 | 0 | 0 | 0 | 113.7 | S514 | S514-T516 PolarHBondContact O-N 2.82Å; S514-T516 PolarHBondContact OG-OG1 3.04Å; S514-T516 VanDerWaalsContact OG-OG1 3.13Å |
| 517 | T | 72.7 | Confident | 84.9 | Confident | 51 Ų | 51 | 28.9 Ų | 28.9 | 31% | 0.313 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -146.6 | 88.4 | -168.2 | 29 | 0 | 0 | 0 | 0 | 109.9 | S514 G519 Q520 | S514-T517 WeakPolarHBondContact CB-O 3.18Å; S514-T517 WeakPolarHBondContact CB-OG1 3.37Å; S514-T517 CarbonylContact O-C 3.55Å; S514-T517 PolarHBondContact O-N 2.86Å; S514-T517 PolarHBondContact OG-N 2.79Å; S514-T517 PolarHBondContact OG-OG1 3.11Å; T517-G519 PolarHBondContact O-N 2.94Å; T517-Q520 WeakPolarHBondContact O-CB 3.26Å; T517-Q520 PolarHBondContact O-N 2.97Å; T517-Q520 VanDerWaalsContact O-N 3.15Å; T517-Q520 PolarHBondContact OG1-OE1 2.89Å |
| 518 | P | 72.2 | Confident | 84.9 | Confident | 108 Ų | 108 | 33.5 Ų | 33.5 | 70% | 0.701 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 139.8 | -177.4 | 25.7 | -34.4 | 0 | 0 | 0 | 111.1 | ||
| 519 | G | 72.9 | Confident | 84.5 | Confident | 40 Ų | 40 | 35.7 Ų | 35.7 | 41% | 0.412 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | -9.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | T517 Y521 | T517-G519 PolarHBondContact O-N 2.94Å; G519-Y521 WeakPolarHBondContact O-CD2 3.32Å; G519-Y521 VanDerWaalsContact O-CE2 3.23Å; G519-Y521 WeakPolarHBondContact O-CE2 3.23Å |
| 520 | Q | 81.4 | Confident | 84.2 | Confident | 55 Ų | 55 | 41.9 Ų | 41.9 | 26% | 0.257 | 26% | 0.26 | S | S | . | . | trans | -88.6 | 136.8 | 167.3 | -74.7 | -175 | -23 | 0 | 0 | 111.3 | S514 T517 L535 | S514-Q520 PolarHBondContact N-O 3.41Å; T517-Q520 WeakPolarHBondContact O-CB 3.26Å; T517-Q520 PolarHBondContact O-N 2.97Å; T517-Q520 VanDerWaalsContact O-N 3.15Å; T517-Q520 PolarHBondContact OG1-OE1 2.89Å; Q520-L535 HydrophobicContact CB-CD1 3.88Å; Q520-L535 HydrophobicContact CG-CD1 4.11Å | ||
| 521 | Y | 86.6 | Confident | 84 | Confident | 11 Ų | 11 | 43.9 Ų | 43.9 | 4% | 0.043 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 135.9 | 179 | -62.3 | -88.4 | 0 | 0 | 0 | 110.4 | M480 A481 L484 F490 E513 G519 L536 V537 | M480-Y521 HydrophobicContact CB-CE2 3.74Å; M480-Y521 HydrophobicContact CG-CD2 4.28Å; M480-Y521 HydrophobicContact CG-CE2 3.78Å; A481-Y521 WeakPolarHBondContact CB-OH 3.37Å; A481-Y521 PolarHBondContact N-OH 3.47Å; L484-Y521 HydrophobicContact CD1-CD1 3.68Å; L484-Y521 HydrophobicContact CD1-CE1 3.76Å; L484-Y521 HydrophobicContact CD1-CG 4.22Å; F490-Y521 AromaticContact CE2-CD1 3.82Å; F490-Y521 HydrophobicContact CE2-CD1 3.82Å; F490-Y521 AromaticContact CE2-CE1 3.81Å; F490-Y521 HydrophobicContact CE2-CE1 3.81Å; F490-Y521 HydrophobicContact CZ-CD1 4.42Å; F490-Y521 AromaticContact CZ-CE1 3.94Å; F490-Y521 HydrophobicContact CZ-CE1 3.94Å; E513-Y521 HydrophobicContact CB-CE1 4.45Å; G519-Y521 WeakPolarHBondContact O-CD2 3.32Å; G519-Y521 VanDerWaalsContact O-CE2 3.23Å; G519-Y521 WeakPolarHBondContact O-CE2 3.23Å; Y521-L536 WeakPolarHBondContact O-CB 3.44Å; Y521-L536 PolarHBondContact O-N 3.06Å; Y521-V537 HydrophobicContact CD2-CG2 3.88Å |
| 522 | V | 88.7 | Confident | 83.8 | Confident | 14 Ų | 14 | 45.7 Ų | 45.7 | 9% | 0.085 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 116.5 | -176 | -177 | 0 | 0 | 0 | 0 | 109.1 | R512 H533 L534 L535 | R512-V522 HydrophobicContact CG-CB 4.32Å; R512-V522 PolarHBondContact N-O 2.82Å; R512-V522 PolarHBondContact O-N 3.09Å; V522-H533 HydrophobicContact CG1-CB 3.9Å; V522-L534 CarbonylContact C-O 3.52Å; V522-L534 WeakPolarHBondContact CA-O 3.35Å; V522-L535 HydrophobicContact CG2-CD1 4.32Å |
| 523 | L | 90.6 | Very high | 83.7 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 127.6 | 165.4 | 172.7 | 57.9 | 0 | 0 | 0 | 108.3 | F509 V511 H533 L534 L536 L556 I557 I567 L574 L576 | F509-L523 HydrophobicContact CB-CD1 3.93Å; F509-L523 HydrophobicContact CD2-CD1 3.68Å; F509-L523 HydrophobicContact CG-CD1 4.17Å; V511-L523 HydrophobicContact CG2-CB 4.38Å; V511-L523 HydrophobicContact CG2-CD1 4.01Å; L523-H533 CarbonylContact O-C 3.57Å; L523-H533 WeakPolarHBondContact O-CA 3.46Å; L523-L534 HydrophobicContact CB-CB 4.34Å; L523-L534 HydrophobicContact CD2-CD1 4.41Å; L523-L534 PolarHBondContact N-O 3.45Å; L523-L534 PolarHBondContact O-N 2.85Å; L523-L536 HydrophobicContact CB-CD1 3.81Å; L523-L536 HydrophobicContact CB-CD2 3.79Å; L523-L536 HydrophobicContact CB-CG 3.75Å; L523-L536 HydrophobicContact CD2-CD2 4.08Å; L523-L556 HydrophobicContact CD2-CD2 4.41Å; L523-I557 HydrophobicContact CD1-CD1 3.9Å; L523-I557 HydrophobicContact CD2-CD1 4.13Å; L523-I567 HydrophobicContact CD2-CD1 3.47Å; L523-I567 VanDerWaalsContact CD2-CD1 3.47Å; L523-L574 HydrophobicContact CD2-CD2 4.31Å; L523-L574 HydrophobicContact CG-CD2 4.21Å; L523-L576 HydrophobicContact CD1-CD2 4.22Å; L523-L576 HydrophobicContact CD2-CD1 4.24Å; L523-L576 HydrophobicContact CD2-CD2 4.13Å |
| 524 | T | 90.5 | Very high | 83.6 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 117.4 | -179.9 | -64.7 | 0 | 0 | 0 | 0 | 107.6 | A499 L503 F509 L510 R512 K532 H533 | A499-T524 HydrophobicContact CB-CG2 3.67Å; L503-T524 HydrophobicContact CD1-CG2 3.85Å; F509-T524 CarbonylContact C-O 3.57Å; F509-T524 WeakPolarHBondContact CA-O 3.43Å; L510-T524 PolarHBondContact N-O 2.97Å; L510-T524 PolarHBondContact O-N 3.02Å; R512-T524 PolarHBondContact NE-OG1 3.4Å; R512-T524 VanDerWaalsContact NE-OG1 3.15Å; T524-K532 WeakPolarHBondContact CA-O 3.08Å; T524-H533 WeakPolarHBondContact CG2-CE1 3.33Å; T524-H533 VanDerWaalsContact CG2-ND1 3.28Å; T524-H533 WeakPolarHBondContact CG2-ND1 3.22Å; T524-H533 PolarHBondContact OG1-ND1 3.42Å |
| 525 | G | 91.9 | Very high | 83.8 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 160.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | D508 K532 | D508-G525 CarbonylContact O-C 3.52Å; D508-G525 WeakPolarHBondContact O-CA 3.5Å; G525-K532 PolarHBondContact N-O 3.44Å; G525-K532 PolarHBondContact O-N 2.76Å |
| 526 | L | 89.9 | Confident | 83.9 | Confident | 20 Ų | 20 | 46.6 Ų | 46.6 | 11% | 0.105 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 121.4 | -168.8 | -179.4 | 56.1 | 0 | 0 | 0 | 111 | L503 N506 G507 D508 G529 | L503-L526 HydrophobicContact CB-CB 3.9Å; L503-L526 HydrophobicContact CB-CD2 4.05Å; L503-L526 HydrophobicContact CD1-CB 4.08Å; L503-L526 HydrophobicContact CG-CB 4.43Å; N506-L526 CarbonylContact C-O 3.52Å; N506-L526 WeakPolarHBondContact CA-O 3.42Å; G507-L526 PolarHBondContact N-O 2.83Å; D508-L526 PolarHBondContact O-N 2.83Å; L526-G529 VanDerWaalsContact CD1-C 3.48Å |
| 527 | Q | 86.4 | Confident | 83.9 | Confident | 40 Ų | 40 | 41.6 Ų | 41.6 | 19% | 0.187 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 127.3 | 176.9 | -172.7 | 80.5 | 40.5 | 0 | 0 | 110.4 | G529 Q530 K532 E573 L574 | Q527-G529 PolarHBondContact O-N 2.9Å; Q527-Q530 PolarHBondContact N-O 2.91Å; Q527-Q530 VanDerWaalsContact N-O 3.07Å; Q527-Q530 PolarHBondContact O-N 3.31Å; Q527-K532 HydrophobicContact CB-CD 3.96Å; Q527-E573 WeakPolarHBondContact CG-O 3.31Å; Q527-L574 HydrophobicContact CB-CD1 4.1Å |
| 528 | S | 82.9 | Confident | 83.4 | Confident | 98 Ų | 98 | 41.6 Ų | 41.6 | 69% | 0.685 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 39.2 | -178.6 | -51.9 | 0 | 0 | 0 | 0 | 113.3 | N506 Q530 | N506-S528 WeakPolarHBondContact OD1-CA 3.42Å; N506-S528 PolarHBondContact OD1-N 3.48Å; S528-Q530 PolarHBondContact O-N 3.29Å |
| 529 | G | 82.8 | Confident | 82.6 | Confident | 51 Ų | 51 | 41.7 Ų | 41.7 | 53% | 0.526 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 3.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | N506 L526 Q527 | N506-G529 PolarHBondContact OD1-N 3.38Å; L526-G529 VanDerWaalsContact CD1-C 3.48Å; Q527-G529 PolarHBondContact O-N 2.9Å |
| 530 | Q | 85.5 | Confident | 81.7 | Confident | 130 Ų | 130 | 46.8 Ų | 46.8 | 61% | 0.607 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 123.5 | 177.9 | -69.9 | -71.5 | -21.1 | 0 | 0 | 110.6 | Q527 S528 | Q527-Q530 PolarHBondContact N-O 2.91Å; Q527-Q530 VanDerWaalsContact N-O 3.07Å; Q527-Q530 PolarHBondContact O-N 3.31Å; S528-Q530 PolarHBondContact O-N 3.29Å |
| 531 | P | 87.3 | Confident | 80.7 | Confident | 42 Ų | 42 | 46.8 Ų | 46.8 | 27% | 0.273 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 131.9 | 173.2 | 29.2 | -32.8 | 0 | 0 | 0 | 110.4 | E500 | E500-P531 HydrophobicContact CG-CB 3.89Å; E500-P531 HydrophobicContact CG-CG 4.07Å |
| 532 | K | 88.1 | Confident | 79.6 | Confident | 38 Ų | 38 | 48.9 Ų | 48.9 | 17% | 0.165 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 136.1 | -177 | -61.4 | -176.5 | -179.9 | -166.7 | 0 | 109.4 | T524 G525 Q527 S572 E573 L574 | T524-K532 WeakPolarHBondContact CA-O 3.08Å; G525-K532 PolarHBondContact N-O 3.44Å; G525-K532 PolarHBondContact O-N 2.76Å; Q527-K532 HydrophobicContact CB-CD 3.96Å; K532-S572 WeakPolarHBondContact CD-OG 3.42Å; K532-S572 WeakPolarHBondContact CE-OG 3.33Å; K532-S572 PolarHBondContact NZ-OG 3.32Å; K532-E573 WeakPolarHBondContact CD-O 3.35Å; K532-E573 PolarHBondContact NZ-O 3.46Å; K532-L574 HydrophobicContact CB-CD2 4.48Å; K532-L574 HydrophobicContact CD-CB 4.39Å |
| 533 | H | 88.1 | Confident | 78.8 | Confident | 51 Ų | 51 | 48.6 Ų | 48.6 | 24% | 0.236 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 120.5 | 178.7 | -50.9 | -69.1 | 0 | 0 | 0 | 109.6 | R496 E500 V522 L523 T524 | R496-H533 PolarHBondContact NE-NE2 3.43Å; R496-H533 PolarHBondContact NH2-NE2 2.89Å; E500-H533 IonicContact OE1-CE1 2.57Å; E500-H533 IonicContact OE1-NE2 3.6Å; E500-H533 PolarHBondContact OE1-NE2 3.13Å; E500-H533 VanDerWaalsContact OE1-NE2 3.16Å; V522-H533 HydrophobicContact CG1-CB 3.9Å; L523-H533 CarbonylContact O-C 3.57Å; L523-H533 WeakPolarHBondContact O-CA 3.46Å; T524-H533 WeakPolarHBondContact CG2-CE1 3.33Å; T524-H533 VanDerWaalsContact CG2-ND1 3.28Å; T524-H533 WeakPolarHBondContact CG2-ND1 3.22Å; T524-H533 PolarHBondContact OG1-ND1 3.42Å |
| 534 | L | 85.4 | Confident | 77.5 | Confident | 21 Ų | 21 | 53 Ų | 53 | 11% | 0.11 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 120.8 | -179.7 | -55.4 | -176.9 | 0 | 0 | 0 | 108.6 | V522 L523 L536 I567 S569 L574 | V522-L534 CarbonylContact C-O 3.52Å; V522-L534 WeakPolarHBondContact CA-O 3.35Å; L523-L534 HydrophobicContact CB-CB 4.34Å; L523-L534 HydrophobicContact CD2-CD1 4.41Å; L523-L534 PolarHBondContact N-O 3.45Å; L523-L534 PolarHBondContact O-N 2.85Å; L534-L536 PolarHBondContact O-N 2.68Å; L534-I567 HydrophobicContact CD1-CB 3.96Å; L534-I567 HydrophobicContact CD1-CD1 4.48Å; L534-I567 HydrophobicContact CD1-CG2 3.5Å; L534-I567 VanDerWaalsContact CD1-CG2 3.5Å; L534-S569 VanDerWaalsContact CD2-CB 3.5Å; L534-L574 HydrophobicContact CD1-CB 4.27Å; L534-L574 HydrophobicContact CD1-CD2 3.91Å; L534-L574 HydrophobicContact CG-CD2 4.35Å |
| 535 | L | 84.7 | Confident | 76.5 | Confident | 84 Ų | 84 | 54.1 Ų | 54.1 | 44% | 0.44 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 120.7 | 168.6 | -178.7 | 67.3 | 0 | 0 | 0 | 107.8 | Q520 V522 V537 | Q520-L535 HydrophobicContact CB-CD1 3.88Å; Q520-L535 HydrophobicContact CG-CD1 4.11Å; V522-L535 HydrophobicContact CG2-CD1 4.32Å; L535-V537 WeakPolarHBondContact CG-O 3.33Å |
| 536 | L | 79.1 | Confident | 75.1 | Confident | 6 Ų | 6 | 60.3 Ų | 60.3 | 3% | 0.031 | 34% | 0.34 | C | S | . | . | trans | -88.9 | -21 | -176.3 | -70.7 | 167.8 | 0 | 0 | 0 | 113.4 | V511 Y521 L523 L534 V543 R544 V553 L556 | V511-L536 HydrophobicContact CB-CD1 4.45Å; V511-L536 HydrophobicContact CG1-CD1 3.66Å; V511-L536 HydrophobicContact CG2-CD1 3.86Å; Y521-L536 WeakPolarHBondContact O-CB 3.44Å; Y521-L536 PolarHBondContact O-N 3.06Å; L523-L536 HydrophobicContact CB-CD1 3.81Å; L523-L536 HydrophobicContact CB-CD2 3.79Å; L523-L536 HydrophobicContact CB-CG 3.75Å; L523-L536 HydrophobicContact CD2-CD2 4.08Å; L534-L536 PolarHBondContact O-N 2.68Å; L536-V543 WeakPolarHBondContact O-CA 3.23Å; L536-R544 PolarHBondContact O-N 2.87Å; L536-V553 HydrophobicContact CB-CG2 4.15Å; L536-V553 HydrophobicContact CD1-CG1 3.61Å; L536-V553 HydrophobicContact CD1-CG2 4.02Å; L536-L556 HydrophobicContact CD2-CD1 3.71Å; L536-L556 HydrophobicContact CD2-CD2 3.73Å; L536-L556 HydrophobicContact CD2-CG 4.4Å | ||
| 537 | V | 73.4 | Confident | 73.8 | Confident | 13 Ų | 13 | 63.8 Ų | 63.8 | 8% | 0.079 | 36% | 0.358 | C | S | . | . | B | Isolated β-bridge | trans | -122.6 | 114.8 | -172.3 | 172.4 | 0 | 0 | 0 | 0 | 109.2 | Y521 L535 V543 | Y521-V537 HydrophobicContact CD2-CG2 3.88Å; L535-V537 WeakPolarHBondContact CG-O 3.33Å; V537-V543 HydrophobicContact CG2-CG2 4.17Å |
| 538 | D | 62.4 | Low | 73 | Confident | 52 Ų | 52 | 66.2 Ų | 66.2 | 28% | 0.278 | 37% | 0.37 | S | S | . | . | trans | -58.8 | 157.6 | 170.9 | -79.3 | -24.3 | 0 | 0 | 0 | 110.8 | E540 G541 V542 R544 | D538-E540 PolarHBondContact O-N 2.83Å; D538-G541 PolarHBondContact O-N 2.85Å; D538-V542 PolarHBondContact N-O 2.89Å; D538-V542 VanDerWaalsContact N-O 3.11Å; D538-R544 VanDerWaalsContact OD2-CD 3.25Å; D538-R544 WeakPolarHBondContact OD2-CD 3.3Å; D538-R544 IonicContact OD2-NH1 2.71Å | ||
| 539 | P | 55.4 | Low | 72.7 | Confident | 110 Ų | 110 | 69 Ų | 69 | 71% | 0.714 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -19.4 | 176.4 | 22.7 | -31.2 | 0 | 0 | 0 | 113.9 | G541 | P539-G541 VanDerWaalsContact C-N 3.28Å; P539-G541 PolarHBondContact O-N 2.91Å |
| 540 | E | 53.8 | Low | 72.5 | Confident | 146 Ų | 146 | 67.4 Ų | 67.4 | 68% | 0.682 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | 1.5 | 171.1 | -62.1 | 73.1 | -159.1 | 0 | 0 | 114.3 | D538 | D538-E540 PolarHBondContact O-N 2.83Š|
| 541 | G | 60.8 | Low | 71.9 | Confident | 56 Ų | 56 | 69.8 Ų | 69.8 | 58% | 0.577 | 36% | 0.355 | S | S | * | . | S | Bend | trans | 83 | 11.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | D538 P539 | D538-G541 PolarHBondContact O-N 2.85Å; P539-G541 VanDerWaalsContact C-N 3.28Å; P539-G541 PolarHBondContact O-N 2.91Å |
| 542 | V | 63.7 | Low | 71.6 | Confident | 54 Ų | 54 | 69.4 Ų | 69.4 | 33% | 0.327 | 35% | 0.353 | S | S | . | . | trans | -103.2 | 143.4 | -175.5 | -173.9 | 0 | 0 | 0 | 0 | 111.3 | D538 R544 | D538-V542 PolarHBondContact N-O 2.89Å; D538-V542 VanDerWaalsContact N-O 3.11Å; V542-R544 HydrophobicContact CB-CG 4.44Å; V542-R544 HydrophobicContact CG1-CG 3.91Å | ||
| 543 | V | 71.5 | Confident | 71.3 | Confident | 9 Ų | 9 | 67.6 Ų | 67.6 | 6% | 0.055 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 115.4 | 177.3 | -175.5 | 0 | 0 | 0 | 0 | 110.8 | M480 L536 V537 F550 V553 L556 | M480-V543 HydrophobicContact CE-CG2 4.32Å; L536-V543 WeakPolarHBondContact O-CA 3.23Å; V537-V543 HydrophobicContact CG2-CG2 4.17Å; V543-F550 HydrophobicContact CB-CB 4.49Å; V543-F550 HydrophobicContact CG1-CB 4.1Å; V543-F550 PolarHBondContact O-N 3.36Å; V543-V553 HydrophobicContact CG1-CG2 4.05Å; V543-V553 HydrophobicContact CG2-CG2 3.69Å; V543-L556 HydrophobicContact CG1-CB 4.1Å; V543-L556 HydrophobicContact CG1-CD1 3.57Å |
| 544 | R | 63.5 | Low | 71.2 | Confident | 93 Ų | 93 | 66.3 Ų | 66.3 | 35% | 0.351 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 142 | -175.8 | -59.5 | -167.4 | 57.2 | -150.6 | -3.3 | 111.8 | L536 D538 V542 R549 | L536-R544 PolarHBondContact O-N 2.87Å; D538-R544 VanDerWaalsContact OD2-CD 3.25Å; D538-R544 WeakPolarHBondContact OD2-CD 3.3Å; D538-R544 IonicContact OD2-NH1 2.71Å; V542-R544 HydrophobicContact CB-CG 4.44Å; V542-R544 HydrophobicContact CG1-CG 3.91Å; R544-R549 HydrophobicContact CG-CG 4.1Å |
| 545 | T | 69.5 | Low | 71.2 | Confident | 23 Ų | 23 | 69.5 Ų | 69.5 | 14% | 0.141 | 36% | 0.356 | C | S | . | . | trans | -101.1 | 177.3 | 158.4 | 65.8 | 0 | 0 | 0 | 0 | 109 | D547 H548 F550 L556 I567 | T545-D547 PolarHBondContact O-N 3.05Å; T545-H548 PolarHBondContact N-O 3.45Å; T545-H548 PolarHBondContact OG1-N 2.87Å; T545-H548 PolarHBondContact OG1-O 2.71Å; T545-F550 HydrophobicContact CG2-CD2 4.42Å; T545-F550 HydrophobicContact CG2-CE2 3.85Å; T545-L556 HydrophobicContact CG2-CD1 3.67Å; T545-L556 HydrophobicContact CG2-CG 4.2Å; T545-I567 HydrophobicContact CG2-CG2 3.89Å | ||
| 546 | K | 63 | Low | 71.4 | Confident | 130 Ų | 130 | 65.5 Ų | 65.5 | 57% | 0.565 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -52.7 | -41.2 | 177.9 | 177.5 | 180 | 153.3 | -75 | 0 | 112.6 | I568 | K546-I568 WeakPolarHBondContact CB-O 3.41Š|
| 547 | D | 62.4 | Low | 71.8 | Confident | 92 Ų | 92 | 65.3 Ų | 65.3 | 49% | 0.492 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -114.1 | -16.6 | -168.4 | -52.9 | -68.2 | 0 | 0 | 0 | 113.2 | T545 | T545-D547 PolarHBondContact O-N 3.05Š|
| 548 | H | 68.9 | Low | 72.4 | Confident | 92 Ų | 92 | 67.3 Ų | 67.3 | 43% | 0.426 | 35% | 0.349 | S | S | . | . | trans | -131.6 | 155.4 | -177.4 | -67.5 | 90.9 | 0 | 0 | 0 | 113.6 | T545 F550 | T545-H548 PolarHBondContact N-O 3.45Å; T545-H548 PolarHBondContact OG1-N 2.87Å; T545-H548 PolarHBondContact OG1-O 2.71Å; H548-F550 HydrophobicContact CB-CD2 4.48Å; H548-F550 HydrophobicContact CB-CE1 4.5Å; H548-F550 HydrophobicContact CB-CE2 3.53Å; H548-F550 HydrophobicContact CB-CZ 3.55Å | ||
| 549 | R | 76.4 | Confident | 73.4 | Confident | 156 Ų | 156 | 68 Ų | 68 | 59% | 0.589 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 144.1 | 168.9 | -70.6 | -169.7 | 175.9 | -118 | 2.7 | 109.3 | R544 | R544-R549 HydrophobicContact CG-CG 4.1Å |
| 550 | F | 79.9 | Confident | 74.8 | Confident | 18 Ų | 18 | 63.1 Ų | 63.1 | 8% | 0.079 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 148.4 | 178 | -60.6 | -82 | 0 | 0 | 0 | 110.8 | V543 T545 H548 H555 L556 Y559 H560 | V543-F550 HydrophobicContact CB-CB 4.49Å; V543-F550 HydrophobicContact CG1-CB 4.1Å; V543-F550 PolarHBondContact O-N 3.36Å; T545-F550 HydrophobicContact CG2-CD2 4.42Å; T545-F550 HydrophobicContact CG2-CE2 3.85Å; H548-F550 HydrophobicContact CB-CD2 4.48Å; H548-F550 HydrophobicContact CB-CE1 4.5Å; H548-F550 HydrophobicContact CB-CE2 3.53Å; H548-F550 HydrophobicContact CB-CZ 3.55Å; F550-H555 AromaticContact CD1-CD2 3.72Å; F550-L556 HydrophobicContact CB-CB 3.93Å; F550-L556 HydrophobicContact CD1-CB 4.21Å; F550-L556 HydrophobicContact CD2-CB 3.77Å; F550-L556 HydrophobicContact CD2-CD1 3.73Å; F550-L556 HydrophobicContact CD2-CG 3.77Å; F550-L556 HydrophobicContact CE2-CB 4.36Å; F550-L556 HydrophobicContact CE2-CD1 4.2Å; F550-L556 HydrophobicContact CE2-CG 4.02Å; F550-L556 HydrophobicContact CG-CB 3.67Å; F550-L556 HydrophobicContact CG-CD1 4.44Å; F550-L556 HydrophobicContact CG-CG 4.22Å; F550-Y559 AromaticContact CE1-CD1 3.63Å; F550-Y559 HydrophobicContact CE1-CD1 3.63Å; F550-Y559 HydrophobicContact CE1-CD2 4.41Å; F550-Y559 HydrophobicContact CE1-CE1 4.37Å; F550-Y559 AromaticContact CE1-CG 3.65Å; F550-Y559 HydrophobicContact CE1-CG 3.65Å; F550-Y559 AromaticContact CZ-CD1 3.67Å; F550-Y559 HydrophobicContact CZ-CD1 3.67Å; F550-Y559 HydrophobicContact CZ-CE1 4.2Å; F550-Y559 HydrophobicContact CZ-CG 4.19Å; F550-H560 AromaticContact CE2-CE1 3.69Å; F550-H560 AromaticContact CZ-CE1 3.44Å; F550-H560 VanDerWaalsContact CZ-CE1 3.44Å; F550-H560 WeakPolarHBondContact CZ-CE1 3.23Å |
| 551 | E | 71.8 | Confident | 76.3 | Confident | 179 Ų | 179 | 58.2 Ų | 58.2 | 84% | 0.836 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -78.5 | -24 | -177.9 | -60.1 | -175.9 | 149.2 | 0 | 0 | 112.5 | ||
| 552 | S | 80.8 | Confident | 77.4 | Confident | 35 Ų | 35 | 61.4 Ų | 61.4 | 25% | 0.245 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -149.3 | 165.5 | 174.3 | 73.4 | 0 | 0 | 0 | 0 | 110.8 | S554 H555 L556 | S552-S554 VanDerWaalsContact C-N 3.34Å; S552-S554 PolarHBondContact OG-N 3.25Å; S552-H555 PolarHBondContact O-N 2.72Å; S552-H555 PolarHBondContact OG-N 2.93Å; S552-H555 VanDerWaalsContact OG-N 3.07Å; S552-L556 PolarHBondContact O-N 3.47Å |
| 553 | V | 83.8 | Confident | 78.3 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.8 | -39.7 | 172.1 | 168.5 | 0 | 0 | 0 | 0 | 110.5 | M480 L484 W489 V511 L536 V543 H555 L556 I557 | M480-V553 HydrophobicContact CE-CB 3.96Å; M480-V553 HydrophobicContact CE-CG2 3.81Å; L484-V553 HydrophobicContact CD1-CB 4.35Å; L484-V553 HydrophobicContact CD2-CB 3.89Å; L484-V553 HydrophobicContact CD2-CG1 4.13Å; W489-V553 HydrophobicContact CH2-CG1 3.82Å; W489-V553 HydrophobicContact CZ3-CG1 3.85Å; V511-V553 HydrophobicContact CG1-CG1 4.41Å; V511-V553 HydrophobicContact CG2-CG1 4.23Å; L536-V553 HydrophobicContact CB-CG2 4.15Å; L536-V553 HydrophobicContact CD1-CG1 3.61Å; L536-V553 HydrophobicContact CD1-CG2 4.02Å; V543-V553 HydrophobicContact CG1-CG2 4.05Å; V543-V553 HydrophobicContact CG2-CG2 3.69Å; V553-H555 VanDerWaalsContact C-N 3.31Å; V553-H555 PolarHBondContact O-N 3.04Å; V553-L556 WeakPolarHBondContact O-CA 3.48Å; V553-L556 WeakPolarHBondContact O-CB 3.43Å; V553-L556 PolarHBondContact O-N 2.67Å; V553-L556 VanDerWaalsContact O-N 3.08Å; V553-I557 HydrophobicContact CG1-CG1 4.18Å; V553-I557 WeakPolarHBondContact O-CG1 3.46Å; V553-I557 PolarHBondContact O-N 2.64Å |
| 554 | S | 86 | Confident | 78.7 | Confident | 23 Ų | 23 | 69.5 Ų | 69.5 | 16% | 0.161 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -57.4 | -43.5 | 176.1 | -47 | 0 | 0 | 0 | 0 | 112.1 | E487 S552 L556 I557 S558 | E487-S554 WeakPolarHBondContact OE1-CB 3.28Å; E487-S554 PolarHBondContact OE1-OG 2.97Å; S552-S554 VanDerWaalsContact C-N 3.34Å; S552-S554 PolarHBondContact OG-N 3.25Å; S554-L556 PolarHBondContact O-N 2.86Å; S554-I557 PolarHBondContact O-N 3.49Å; S554-S558 PolarHBondContact O-N 3.09Å; S554-S558 PolarHBondContact O-OG 3.12Å |
| 555 | H | 85.3 | Confident | 79.7 | Confident | 89 Ų | 89 | 68.3 Ų | 68.3 | 41% | 0.412 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.8 | -43.6 | 175 | -164.9 | 140.6 | 0 | 0 | 0 | 111.3 | F550 S552 V553 I557 Y559 | F550-H555 AromaticContact CD1-CD2 3.72Å; S552-H555 PolarHBondContact O-N 2.72Å; S552-H555 PolarHBondContact OG-N 2.93Å; S552-H555 VanDerWaalsContact OG-N 3.07Å; V553-H555 VanDerWaalsContact C-N 3.31Å; V553-H555 PolarHBondContact O-N 3.04Å; H555-I557 VanDerWaalsContact C-N 3.34Å; H555-I557 PolarHBondContact O-N 3.34Å; H555-Y559 VanDerWaalsContact O-CB 3.24Å; H555-Y559 WeakPolarHBondContact O-CB 3.31Å; H555-Y559 PolarHBondContact O-N 3.35Å |
| 556 | L | 87.1 | Confident | 80.3 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.7 | -44.8 | 174.8 | -179.8 | 159.3 | 0 | 0 | 0 | 111.7 | L523 L536 V543 T545 F550 S552 V553 S554 H560 I567 | L523-L556 HydrophobicContact CD2-CD2 4.41Å; L536-L556 HydrophobicContact CD2-CD1 3.71Å; L536-L556 HydrophobicContact CD2-CD2 3.73Å; L536-L556 HydrophobicContact CD2-CG 4.4Å; V543-L556 HydrophobicContact CG1-CB 4.1Å; V543-L556 HydrophobicContact CG1-CD1 3.57Å; T545-L556 HydrophobicContact CG2-CD1 3.67Å; T545-L556 HydrophobicContact CG2-CG 4.2Å; F550-L556 HydrophobicContact CB-CB 3.93Å; F550-L556 HydrophobicContact CD1-CB 4.21Å; F550-L556 HydrophobicContact CD2-CB 3.77Å; F550-L556 HydrophobicContact CD2-CD1 3.73Å; F550-L556 HydrophobicContact CD2-CG 3.77Å; F550-L556 HydrophobicContact CE2-CB 4.36Å; F550-L556 HydrophobicContact CE2-CD1 4.2Å; F550-L556 HydrophobicContact CE2-CG 4.02Å; F550-L556 HydrophobicContact CG-CB 3.67Å; F550-L556 HydrophobicContact CG-CD1 4.44Å; F550-L556 HydrophobicContact CG-CG 4.22Å; S552-L556 PolarHBondContact O-N 3.47Å; V553-L556 WeakPolarHBondContact O-CA 3.48Å; V553-L556 WeakPolarHBondContact O-CB 3.43Å; V553-L556 PolarHBondContact O-N 2.67Å; V553-L556 VanDerWaalsContact O-N 3.08Å; S554-L556 PolarHBondContact O-N 2.86Å; L556-H560 PolarHBondContact O-N 3.01Å; L556-H560 PolarHBondContact O-ND1 2.72Å; L556-I567 HydrophobicContact CD2-CD1 4.03Å |
| 557 | I | 87.4 | Confident | 81.3 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64 | -56.5 | 179.5 | -63.7 | -58.2 | 0 | 0 | 0 | 110.4 | W489 F509 V511 L523 V553 S554 H555 Y559 H560 M561 L576 | W489-I557 HydrophobicContact CD2-CG1 4.45Å; W489-I557 HydrophobicContact CD2-CG2 4.48Å; W489-I557 HydrophobicContact CE3-CG1 4.34Å; W489-I557 HydrophobicContact CH2-CG1 3.93Å; W489-I557 HydrophobicContact CZ2-CB 4.22Å; W489-I557 HydrophobicContact CZ2-CG1 4.04Å; W489-I557 HydrophobicContact CZ2-CG2 4.43Å; W489-I557 HydrophobicContact CZ3-CG1 4.09Å; F509-I557 HydrophobicContact CD2-CD1 4.22Å; F509-I557 HydrophobicContact CE2-CD1 3.96Å; F509-I557 HydrophobicContact CE2-CG1 4.41Å; F509-I557 HydrophobicContact CE2-CG2 3.52Å; F509-I557 HydrophobicContact CZ-CG2 3.5Å; F509-I557 VanDerWaalsContact CZ-CG2 3.5Å; V511-I557 HydrophobicContact CG2-CD1 4.04Å; V511-I557 HydrophobicContact CG2-CG1 4.45Å; L523-I557 HydrophobicContact CD1-CD1 3.9Å; L523-I557 HydrophobicContact CD2-CD1 4.13Å; V553-I557 HydrophobicContact CG1-CG1 4.18Å; V553-I557 WeakPolarHBondContact O-CG1 3.46Å; V553-I557 PolarHBondContact O-N 2.64Å; S554-I557 PolarHBondContact O-N 3.49Å; H555-I557 VanDerWaalsContact C-N 3.34Å; H555-I557 PolarHBondContact O-N 3.34Å; I557-Y559 VanDerWaalsContact C-N 3.34Å; I557-Y559 PolarHBondContact O-N 3.1Å; I557-H560 PolarHBondContact O-N 3.04Å; I557-M561 HydrophobicContact CG2-CG 4.31Å; I557-M561 HydrophobicContact CG2-SD 3.7Å; I557-M561 WeakPolarHBondContact O-CG 3.4Å; I557-M561 PolarHBondContact O-N 3.29Å; I557-L576 HydrophobicContact CD1-CD1 3.61Å; I557-L576 HydrophobicContact CG2-CD1 4.36Å |
| 558 | S | 86.1 | Confident | 82 | Confident | 56 Ų | 56 | 61.9 Ų | 61.9 | 39% | 0.392 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -55 | -47.2 | 179.2 | -60.8 | 0 | 0 | 0 | 0 | 111.9 | S554 H560 M561 D562 | S554-S558 PolarHBondContact O-N 3.09Å; S554-S558 PolarHBondContact O-OG 3.12Å; S558-H560 VanDerWaalsContact C-N 3.34Å; S558-H560 PolarHBondContact O-N 3.43Å; S558-M561 PolarHBondContact O-N 2.88Å; S558-M561 VanDerWaalsContact O-N 3.16Å; S558-D562 WeakPolarHBondContact O-CB 3.29Å; S558-D562 PolarHBondContact O-N 2.73Å |
| 559 | Y | 85 | Confident | 82.1 | Confident | 66 Ų | 66 | 59.9 Ų | 59.9 | 26% | 0.259 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -56.8 | -43.8 | -178.7 | 178.3 | -95.4 | 0 | 0 | 0 | 113.4 | F550 H555 I557 N563 L565 | F550-Y559 AromaticContact CE1-CD1 3.63Å; F550-Y559 HydrophobicContact CE1-CD1 3.63Å; F550-Y559 HydrophobicContact CE1-CD2 4.41Å; F550-Y559 HydrophobicContact CE1-CE1 4.37Å; F550-Y559 AromaticContact CE1-CG 3.65Å; F550-Y559 HydrophobicContact CE1-CG 3.65Å; F550-Y559 AromaticContact CZ-CD1 3.67Å; F550-Y559 HydrophobicContact CZ-CD1 3.67Å; F550-Y559 HydrophobicContact CZ-CE1 4.2Å; F550-Y559 HydrophobicContact CZ-CG 4.19Å; H555-Y559 VanDerWaalsContact O-CB 3.24Å; H555-Y559 WeakPolarHBondContact O-CB 3.31Å; H555-Y559 PolarHBondContact O-N 3.35Å; I557-Y559 VanDerWaalsContact C-N 3.34Å; I557-Y559 PolarHBondContact O-N 3.1Å; Y559-N563 WeakPolarHBondContact O-CB 3.42Å; Y559-N563 PolarHBondContact O-N 3.02Å; Y559-N563 PolarHBondContact O-ND2 3.42Å; Y559-L565 HydrophobicContact CE1-CD1 3.76Å |
| 560 | H | 84.1 | Confident | 81.4 | Confident | 7 Ų | 7 | 57.5 Ų | 57.5 | 3% | 0.032 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -78.9 | -29 | 180 | -64.3 | 91.3 | 0 | 0 | 0 | 112.6 | F550 L556 I557 S558 H564 L565 I567 L576 | F550-H560 AromaticContact CE2-CE1 3.69Å; F550-H560 AromaticContact CZ-CE1 3.44Å; F550-H560 VanDerWaalsContact CZ-CE1 3.44Å; F550-H560 WeakPolarHBondContact CZ-CE1 3.23Å; L556-H560 PolarHBondContact O-N 3.01Å; L556-H560 PolarHBondContact O-ND1 2.72Å; I557-H560 PolarHBondContact O-N 3.04Å; S558-H560 VanDerWaalsContact C-N 3.34Å; S558-H560 PolarHBondContact O-N 3.43Å; H560-H564 CarbonylContact O-C 3.54Å; H560-H564 VanDerWaalsContact O-CA 3.28Å; H560-H564 WeakPolarHBondContact O-CA 3.33Å; H560-H564 PolarHBondContact O-N 2.91Å; H560-H564 VanDerWaalsContact O-N 3.17Å; H560-L565 PolarHBondContact CD2-O 2.77Å; H560-L565 PolarHBondContact O-N 3.32Å; H560-I567 HydrophobicContact CB-CD1 4.39Å; H560-I567 HydrophobicContact CB-CG1 4.13Å; H560-I567 WeakPolarHBondContact CD2-CG1 3.18Å; H560-L576 HydrophobicContact CB-CD1 4.2Å; H560-L576 HydrophobicContact CB-CG 4.31Å |
| 561 | M | 85.1 | Confident | 80.6 | Confident | 44 Ų | 44 | 60.5 Ų | 60.5 | 22% | 0.217 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66.9 | -56.7 | 170.7 | -72.3 | -177.8 | 71 | 0 | 0 | 111.6 | F509 I557 S558 N563 H564 L576 P579 | F509-M561 HydrophobicContact CE1-CE 4.22Å; F509-M561 HydrophobicContact CE1-CG 4.11Å; F509-M561 HydrophobicContact CE1-SD 3.67Å; F509-M561 HydrophobicContact CZ-CE 4.4Å; F509-M561 HydrophobicContact CZ-CG 4.28Å; F509-M561 HydrophobicContact CZ-SD 3.45Å; F509-M561 WeakPolarHBondContact CZ-SD 3.41Å; I557-M561 HydrophobicContact CG2-CG 4.31Å; I557-M561 HydrophobicContact CG2-SD 3.7Å; I557-M561 WeakPolarHBondContact O-CG 3.4Å; I557-M561 PolarHBondContact O-N 3.29Å; S558-M561 PolarHBondContact O-N 2.88Å; S558-M561 VanDerWaalsContact O-N 3.16Å; M561-N563 VanDerWaalsContact C-N 3.33Å; M561-N563 PolarHBondContact O-N 3.4Å; M561-H564 PolarHBondContact O-CE1 3.47Å; M561-H564 PolarHBondContact O-N 3.03Å; M561-H564 VanDerWaalsContact O-N 3.08Å; M561-H564 PolarHBondContact O-ND1 2.89Å; M561-L576 HydrophobicContact CG-CB 3.76Å; M561-P579 HydrophobicContact CE-CG 4.4Å |
| 562 | D | 84.4 | Confident | 80.3 | Confident | 123 Ų | 123 | 54.1 Ų | 54.1 | 66% | 0.658 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -65.2 | -34.1 | -171.6 | -61 | -24.3 | 0 | 0 | 0 | 112.6 | S558 | S558-D562 WeakPolarHBondContact O-CB 3.29Å; S558-D562 PolarHBondContact O-N 2.73Å |
| 563 | N | 81.7 | Confident | 80.4 | Confident | 88 Ų | 88 | 57.6 Ų | 57.6 | 47% | 0.471 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -0.8 | 177.5 | -60.8 | -91.6 | 0 | 0 | 0 | 112.9 | Y559 M561 L565 | Y559-N563 WeakPolarHBondContact O-CB 3.42Å; Y559-N563 PolarHBondContact O-N 3.02Å; Y559-N563 PolarHBondContact O-ND2 3.42Å; M561-N563 VanDerWaalsContact C-N 3.33Å; M561-N563 PolarHBondContact O-N 3.4Å; N563-L565 HydrophobicContact CB-CD1 3.75Å; N563-L565 HydrophobicContact CB-CG 3.75Å; N563-L565 PolarHBondContact O-N 2.8Å |
| 564 | H | 80.4 | Confident | 80.5 | Confident | 144 Ų | 144 | 57.6 Ų | 57.6 | 67% | 0.667 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 33.2 | -174 | -56.7 | -29.8 | 0 | 0 | 0 | 114.4 | H560 M561 | H560-H564 CarbonylContact O-C 3.54Å; H560-H564 VanDerWaalsContact O-CA 3.28Å; H560-H564 WeakPolarHBondContact O-CA 3.33Å; H560-H564 PolarHBondContact O-N 2.91Å; H560-H564 VanDerWaalsContact O-N 3.17Å; M561-H564 PolarHBondContact O-CE1 3.47Å; M561-H564 PolarHBondContact O-N 3.03Å; M561-H564 VanDerWaalsContact O-N 3.08Å; M561-H564 PolarHBondContact O-ND1 2.89Å |
| 565 | L | 83.5 | Confident | 80.5 | Confident | 68 Ų | 68 | 57.8 Ų | 57.8 | 36% | 0.356 | 34% | 0.341 | S | S | . | . | trans | -87.6 | 135.3 | -174.3 | -68.4 | 172.8 | 0 | 0 | 0 | 112 | Y559 H560 N563 | Y559-L565 HydrophobicContact CE1-CD1 3.76Å; H560-L565 PolarHBondContact CD2-O 2.77Å; H560-L565 PolarHBondContact O-N 3.32Å; N563-L565 HydrophobicContact CB-CD1 3.75Å; N563-L565 HydrophobicContact CB-CG 3.75Å; N563-L565 PolarHBondContact O-N 2.8Å | ||
| 566 | P | 82.8 | Confident | 80.6 | Confident | 43 Ų | 43 | 53.6 Ų | 53.6 | 28% | 0.279 | 32% | 0.321 | S | S | . | . | trans | -69.5 | 131.3 | 173.7 | 27.3 | -32.6 | 0 | 0 | 0 | 111.3 | I568 E573 | P566-I568 PolarHBondContact O-N 2.85Å; P566-E573 HydrophobicContact CB-CB 4.02Å; P566-E573 HydrophobicContact CB-CG 4.45Å | ||
| 567 | I | 83.4 | Confident | 80.5 | Confident | 7 Ų | 7 | 59.6 Ų | 59.6 | 4% | 0.036 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 111 | 166.3 | -56.8 | 166.9 | 0 | 0 | 0 | 107.8 | L523 L534 T545 L556 H560 L574 L576 | L523-I567 HydrophobicContact CD2-CD1 3.47Å; L523-I567 VanDerWaalsContact CD2-CD1 3.47Å; L534-I567 HydrophobicContact CD1-CB 3.96Å; L534-I567 HydrophobicContact CD1-CD1 4.48Å; L534-I567 HydrophobicContact CD1-CG2 3.5Å; L534-I567 VanDerWaalsContact CD1-CG2 3.5Å; T545-I567 HydrophobicContact CG2-CG2 3.89Å; L556-I567 HydrophobicContact CD2-CD1 4.03Å; H560-I567 HydrophobicContact CB-CD1 4.39Å; H560-I567 HydrophobicContact CB-CG1 4.13Å; H560-I567 WeakPolarHBondContact CD2-CG1 3.18Å; I567-L574 PolarHBondContact N-O 3.07Å; I567-L574 PolarHBondContact O-N 2.92Å; I567-L576 HydrophobicContact CD1-CD1 3.84Å; I567-L576 HydrophobicContact CD1-CD2 4.2Å; I567-L576 HydrophobicContact CD1-CG 3.96Å |
| 568 | I | 78.5 | Confident | 80.5 | Confident | 61 Ų | 61 | 64.2 Ų | 64.2 | 31% | 0.313 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 118.1 | -178.9 | -47.4 | -176.1 | 0 | 0 | 0 | 110 | K546 P566 E573 | K546-I568 WeakPolarHBondContact CB-O 3.41Å; P566-I568 PolarHBondContact O-N 2.85Å; I568-E573 HydrophobicContact CG1-CG 4.34Å |
| 569 | S | 69.4 | Low | 80.7 | Confident | 50 Ų | 50 | 63.5 Ų | 63.5 | 35% | 0.35 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 126.9 | 175.4 | -171.7 | 0 | 0 | 0 | 0 | 111.7 | L534 G571 S572 | L534-S569 VanDerWaalsContact CD2-CB 3.5Å; S569-G571 PolarHBondContact O-N 2.84Å; S569-G571 VanDerWaalsContact O-N 3.08Å; S569-S572 PolarHBondContact N-O 3.5Å; S569-S572 WeakPolarHBondContact O-CA 3.42Å; S569-S572 WeakPolarHBondContact O-CB 3.43Å; S569-S572 PolarHBondContact O-N 3.07Å; S569-S572 VanDerWaalsContact O-O 3.12Å |
| 570 | A | 62.5 | Low | 80.9 | Confident | 105 Ų | 105 | 61.3 Ų | 61.3 | 87% | 0.868 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.6 | 35.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 571 | G | 62.8 | Low | 81 | Confident | 81 Ų | 81 | 67.6 Ų | 67.6 | 84% | 0.835 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.1 | 12.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | S569 | S569-G571 PolarHBondContact O-N 2.84Å; S569-G571 VanDerWaalsContact O-N 3.08Å |
| 572 | S | 67.1 | Low | 80.8 | Confident | 46 Ų | 46 | 69.1 Ų | 69.1 | 32% | 0.322 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 122.6 | -178.8 | -160.1 | 0 | 0 | 0 | 0 | 110.4 | K532 S569 | K532-S572 WeakPolarHBondContact CD-OG 3.42Å; K532-S572 WeakPolarHBondContact CE-OG 3.33Å; K532-S572 PolarHBondContact NZ-OG 3.32Å; S569-S572 PolarHBondContact N-O 3.5Å; S569-S572 WeakPolarHBondContact O-CA 3.42Å; S569-S572 WeakPolarHBondContact O-CB 3.43Å; S569-S572 PolarHBondContact O-N 3.07Å; S569-S572 VanDerWaalsContact O-O 3.12Å |
| 573 | E | 82.9 | Confident | 79.9 | Confident | 107 Ų | 107 | 72.6 Ų | 72.6 | 50% | 0.5 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 140.4 | -179.4 | -61.5 | 176.4 | 170.9 | 0 | 0 | 110.9 | Q527 K532 P566 I568 | Q527-E573 WeakPolarHBondContact CG-O 3.31Å; K532-E573 WeakPolarHBondContact CD-O 3.35Å; K532-E573 PolarHBondContact NZ-O 3.46Å; P566-E573 HydrophobicContact CB-CB 4.02Å; P566-E573 HydrophobicContact CB-CG 4.45Å; I568-E573 HydrophobicContact CG1-CG 4.34Å |
| 574 | L | 85 | Confident | 78.4 | Confident | 1 Ų | 1 | 78.6 Ų | 78.6 | 1% | 0.005 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 110.4 | 173.1 | 175.3 | 62.2 | 0 | 0 | 0 | 109.9 | L523 Q527 K532 L534 I567 L576 | L523-L574 HydrophobicContact CD2-CD2 4.31Å; L523-L574 HydrophobicContact CG-CD2 4.21Å; Q527-L574 HydrophobicContact CB-CD1 4.1Å; K532-L574 HydrophobicContact CB-CD2 4.48Å; K532-L574 HydrophobicContact CD-CB 4.39Å; L534-L574 HydrophobicContact CD1-CB 4.27Å; L534-L574 HydrophobicContact CD1-CD2 3.91Å; L534-L574 HydrophobicContact CG-CD2 4.35Å; I567-L574 PolarHBondContact N-O 3.07Å; I567-L574 PolarHBondContact O-N 2.92Å; L574-L576 HydrophobicContact CD2-CD2 4.13Å; L574-L576 HydrophobicContact CG-CD2 4.01Å |
| 575 | C | 85.1 | Confident | 78.3 | Confident | 26 Ų | 26 | 75.4 Ų | 75.4 | 18% | 0.176 | 42% | 0.42 | C | S | . | . | trans | -82.1 | 136.2 | 171.3 | -59 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 576 | L | 87.8 | Confident | 78 | Confident | 1 Ų | 1 | 75.7 Ų | 75.7 | 1% | 0.005 | 42% | 0.423 | C | S | . | . | trans | -97.6 | 119.8 | 171.9 | -53.8 | -169.4 | 0 | 0 | 0 | 108.7 | F509 L523 I557 H560 M561 I567 L574 | F509-L576 HydrophobicContact CB-CD2 3.78Å; F509-L576 HydrophobicContact CD1-CB 3.86Å; F509-L576 HydrophobicContact CD1-CD2 3.97Å; F509-L576 HydrophobicContact CD1-CG 4.34Å; F509-L576 HydrophobicContact CD2-CD1 4.46Å; F509-L576 HydrophobicContact CD2-CD2 4.35Å; F509-L576 HydrophobicContact CE1-CB 3.97Å; F509-L576 HydrophobicContact CG-CB 4.46Å; F509-L576 HydrophobicContact CG-CD2 3.75Å; F509-L576 HydrophobicContact CG-CG 4.46Å; L523-L576 HydrophobicContact CD1-CD2 4.22Å; L523-L576 HydrophobicContact CD2-CD1 4.24Å; L523-L576 HydrophobicContact CD2-CD2 4.13Å; I557-L576 HydrophobicContact CD1-CD1 3.61Å; I557-L576 HydrophobicContact CG2-CD1 4.36Å; H560-L576 HydrophobicContact CB-CD1 4.2Å; H560-L576 HydrophobicContact CB-CG 4.31Å; M561-L576 HydrophobicContact CG-CB 3.76Å; I567-L576 HydrophobicContact CD1-CD1 3.84Å; I567-L576 HydrophobicContact CD1-CD2 4.2Å; I567-L576 HydrophobicContact CD1-CG 3.96Å; L574-L576 HydrophobicContact CD2-CD2 4.13Å; L574-L576 HydrophobicContact CG-CD2 4.01Å | ||
| 577 | Q | 85.6 | Confident | 77.8 | Confident | 126 Ų | 126 | 77.6 Ų | 77.6 | 59% | 0.589 | 43% | 0.431 | S | S | * | . | trans | -124.6 | -49.9 | 178.9 | -60.3 | -172.2 | -10.2 | 0 | 0 | 111.5 | G507 | G507-Q577 PolarHBondContact O-N 3.2Š| ||
| 578 | Q | 86.9 | Confident | 77.4 | Confident | 99 Ų | 99 | 81.7 Ų | 81.7 | 46% | 0.463 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 119.2 | -173.3 | -171.7 | 170 | -86.7 | 0 | 0 | 111.4 | G507 D508 F509 V580 | G507-Q578 PolarHBondContact O-N 2.87Å; D508-Q578 CarbonylContact C-O 3.52Å; D508-Q578 WeakPolarHBondContact CA-O 3.43Å; D508-Q578 PolarHBondContact OD1-NE2 3.43Å; F509-Q578 WeakPolarHBondContact CD1-O 3.23Å; F509-Q578 PolarHBondContact N-O 2.74Å; Q578-V580 PolarHBondContact O-N 3.07Å |
| 579 | P | 89.9 | Confident | 77.4 | Confident | 41 Ų | 41 | 83 Ų | 83 | 27% | 0.266 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 124.2 | 172.5 | 28.7 | -30.9 | 0 | 0 | 0 | 109.7 | W489 F509 M561 E581 | W489-P579 HydrophobicContact CB-CB 3.84Å; W489-P579 HydrophobicContact CG-CB 4.39Å; F509-P579 HydrophobicContact CE1-CB 4.09Å; F509-P579 HydrophobicContact CE2-CB 4.46Å; F509-P579 HydrophobicContact CZ-CB 3.79Å; M561-P579 HydrophobicContact CE-CG 4.4Å; P579-E581 PolarHBondContact O-N 3.2Å |
| 580 | V | 89.9 | Confident | 77.9 | Confident | 20 Ų | 20 | 85.2 Ų | 85.2 | 12% | 0.121 | 47% | 0.471 | C | S | . | . | trans | -80.3 | 108.9 | 171.5 | 178.1 | 0 | 0 | 0 | 0 | 108.7 | H491 L502 L503 D508 F509 L510 Q578 | H491-V580 PolarHBondContact NE2-O 3.02Å; L502-V580 HydrophobicContact CB-CG1 4.14Å; L503-V580 HydrophobicContact CD2-CG2 4.08Å; D508-V580 HydrophobicContact CB-CG2 3.8Å; F509-V580 PolarHBondContact O-N 3.31Å; L510-V580 HydrophobicContact CB-CB 4.38Å; L510-V580 HydrophobicContact CD2-CB 4.45Å; L510-V580 HydrophobicContact CD2-CG1 4.42Å; Q578-V580 PolarHBondContact O-N 3.07Å | ||
| 581 | E | 85.6 | Confident | 79 | Confident | 138 Ų | 138 | 83.8 Ų | 83.8 | 65% | 0.645 | 44% | 0.442 | S | S | * | . | trans | -67.6 | 139.5 | -174.3 | -57.7 | -169.9 | 143.7 | 0 | 0 | 113.2 | P488 H491 P579 K583 | P488-E581 HydrophobicContact CB-CG 4.43Å; P488-E581 CarbonylContact O-C 3.49Å; P488-E581 WeakPolarHBondContact O-CA 3.47Å; H491-E581 PolarHBondContact CE1-O 3.46Å; P579-E581 PolarHBondContact O-N 3.2Å; E581-K583 PolarHBondContact O-N 3.25Å | ||
| 582 | R | 80.9 | Confident | 80.2 | Confident | 76 Ų | 76 | 84 Ų | 84 | 29% | 0.287 | 41% | 0.412 | S | S | . | . | trans | -71.9 | 107.7 | 168.9 | -174.8 | -173.6 | 69.3 | -128.9 | 4.6 | 109.4 | R485 P488 F490 H491 L584 | R485-R582 PolarHBondContact O-NH1 2.97Å; R485-R582 VanDerWaalsContact O-NH1 3.07Å; R485-R582 PolarHBondContact O-NH2 3.42Å; P488-R582 PolarHBondContact O-N 2.95Å; F490-R582 WeakPolarHBondContact O-CD 3.49Å; F490-R582 PolarHBondContact O-NH1 2.88Å; H491-R582 VanDerWaalsContact CE1-CA 3.49Å; H491-R582 WeakPolarHBondContact CE1-CA 3.13Å; H491-R582 PolarHBondContact NE2-N 3.42Å; R582-L584 PolarHBondContact O-N 2.57Å | ||
| 583 | K | 67.1 | Low | 81.3 | Confident | 197 Ų | 197 | 87.2 Ų | 87.2 | 86% | 0.857 | 42% | 0.419 | S | S | * | . | trans | -57.9 | 119.7 | 164.9 | -63.5 | -178 | -178.7 | 179.6 | 0 | 108.7 | E581 | E581-K583 PolarHBondContact O-N 3.25Š| ||
| 584 | L | 49.4 | Very low | 81.2 | Confident | 214 Ų | 214 | 85.4 Ų | 85.4 | 100% | 1.12 | 41% | 0.412 | S | S | * | . | trans | -81.4 | 0 | -178.8 | -86.4 | 162.6 | 0 | 0 | 0 | 112.1 | R582 | R582-L584 PolarHBondContact O-N 2.57Š|
Retrieved 584 of 584 residues in 128.2 ms
(Link to these results)