| 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 | 35.5 | Very low | 35.7 | Very low | 252 Ų | 252 | 150.2 Ų | 150.2 | 100% | 1.241 | 86% | 0.856 | S | S | * | * | 0 | 134.9 | 0 | -58.9 | 171.4 | -175.7 | 0 | 0 | 107.1 | |||||
| 2 | G | 32.4 | Very low | 36.6 | Very low | 73 Ų | 73 | 147.1 Ų | 147.1 | 75% | 0.753 | 85% | 0.846 | S | S | * | * | cis | 145.4 | 66.7 | -0.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 3 | T | 32.6 | Very low | 36.2 | Very low | 139 Ų | 139 | 148.9 Ų | 148.9 | 85% | 0.853 | 84% | 0.842 | S | S | * | * | trans | -123.2 | 129.6 | -178.1 | 45.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 4 | P | 45.6 | Very low | 35.6 | Very low | 132 Ų | 132 | 148.1 Ų | 148.1 | 86% | 0.857 | 83% | 0.834 | S | S | * | * | trans | -86.2 | 159.1 | -163.6 | 33.4 | -36.9 | 0 | 0 | 0 | 115.3 | ||||
| 5 | R | 32.8 | Very low | 35.1 | Very low | 239 Ų | 239 | 146.7 Ų | 146.7 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | trans | -76.5 | 147.8 | 172.8 | -155.8 | 177.8 | -165.4 | 167.6 | 2.7 | 110.1 | ||||
| 6 | A | 31.9 | Very low | 34.6 | Very low | 100 Ų | 100 | 149.2 Ų | 149.2 | 83% | 0.826 | 82% | 0.822 | S | S | * | * | trans | -128.6 | 150.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 7 | Q | 32 | Very low | 34.2 | Very low | 180 Ų | 180 | 149.8 Ų | 149.8 | 84% | 0.841 | 82% | 0.823 | S | S | * | * | trans | -123.9 | 152 | -170.1 | -67.4 | 166.4 | -54.1 | 0 | 0 | 111.7 | ||||
| 8 | H | 32.5 | Very low | 34 | Very low | 184 Ų | 184 | 149 Ų | 149 | 85% | 0.852 | 82% | 0.816 | S | S | * | * | trans | -86.9 | 179.7 | 162.5 | -62.4 | -68.1 | 0 | 0 | 0 | 110.2 | ||||
| 9 | P | 43.5 | Very low | 33.6 | Very low | 111 Ų | 111 | 150.4 Ų | 150.4 | 72% | 0.721 | 82% | 0.821 | S | S | * | * | -130.2 | -173.8 | -62.6 | 39.7 | -25.3 | 0 | 0 | 0 | 111.2 | |||||
| 10 | P | 35.7 | Very low | 33.5 | Very low | 120 Ų | 120 | 150.2 Ų | 150.2 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | trans | -134.3 | 152.8 | 148.5 | 37.2 | -25.8 | 0 | 0 | 0 | 114.6 | ||||
| 11 | P | 38.1 | Very low | 33.4 | Very low | 122 Ų | 122 | 148.8 Ų | 148.8 | 79% | 0.792 | 82% | 0.819 | S | S | * | * | trans | -104.4 | -152 | 178.7 | 45.7 | -37.9 | 0 | 0 | 0 | 111.8 | ||||
| 12 | P | 47.1 | Very low | 33.1 | Very low | 113 Ų | 113 | 141.6 Ų | 141.6 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | -127.4 | -157.2 | -114.6 | 37.6 | -14.8 | 0 | 0 | 0 | 115.1 | |||||
| 13 | Q | 30.7 | Very low | 33.6 | Very low | 171 Ų | 171 | 143 Ų | 143 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | trans | 87.9 | 151.4 | -174.2 | -51.6 | -165.1 | 23.4 | 0 | 0 | 113.6 | ||||
| 14 | L | 28.5 | Very low | 33.4 | Very low | 138 Ų | 138 | 147.2 Ų | 147.2 | 72% | 0.723 | 79% | 0.789 | S | S | * | * | cis | -144.8 | 141.9 | 25.2 | -166.2 | 110.5 | 0 | 0 | 0 | 114.8 | ||||
| 15 | L | 27.2 | Very low | 32.8 | Very low | 126 Ų | 126 | 146.5 Ų | 146.5 | 66% | 0.66 | 78% | 0.777 | S | S | * | * | trans | 43.7 | 123.4 | 154.7 | -99.7 | 66.9 | 0 | 0 | 0 | 124.2 | ||||
| 16 | F | 27.6 | Very low | 32.7 | Very low | 187 Ų | 187 | 144 Ų | 144 | 82% | 0.82 | 78% | 0.775 | S | S | * | * | 57.1 | 127.5 | 123.9 | -83.4 | -137.9 | 0 | 0 | 0 | 121.6 | |||||
| 17 | L | 28.3 | Very low | 32.5 | Very low | 160 Ų | 160 | 142.9 Ų | 142.9 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | -157.7 | 127.6 | 116.4 | -103.2 | 170.3 | 0 | 0 | 0 | 111.4 | |||||
| 18 | I | 29.3 | Very low | 32.2 | Very low | 135 Ų | 135 | 142 Ų | 142 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | trans | 58.7 | 97.9 | 159.5 | -45.2 | 171.1 | 0 | 0 | 0 | 118.2 | ||||
| 19 | L | 27.9 | Very low | 32.6 | Very low | 175 Ų | 175 | 138.1 Ų | 138.1 | 92% | 0.916 | 77% | 0.766 | S | S | * | * | trans | -131.5 | 90 | 133.5 | -87.1 | -177.7 | 0 | 0 | 0 | 110 | ||||
| 20 | L | 31 | Very low | 32 | Very low | 147 Ų | 147 | 138.5 Ų | 138.5 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | trans | -140.4 | 106.2 | 164.4 | -94.8 | 175 | 0 | 0 | 0 | 109.4 | ||||
| 21 | S | 31.4 | Very low | 31.5 | Very low | 120 Ų | 120 | 139.9 Ų | 139.9 | 84% | 0.839 | 76% | 0.755 | S | S | * | * | trans | -151.1 | 64.5 | 164 | 42.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 22 | C | 28.6 | Very low | 31.3 | Very low | 102 Ų | 102 | 140 Ų | 140 | 69% | 0.689 | 75% | 0.745 | S | S | * | * | trans | -57.1 | 169 | 153.9 | -69.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 23 | P | 43.8 | Very low | 30.6 | Very low | 102 Ų | 102 | 142.1 Ų | 142.1 | 66% | 0.662 | 75% | 0.745 | S | S | * | * | cis | -158.3 | -167.3 | 33.7 | 48.8 | -27.6 | 0 | 0 | 0 | 119.6 | ||||
| 24 | W | 28.2 | Very low | 30.6 | Very low | 228 Ų | 228 | 142.4 Ų | 142.4 | 86% | 0.864 | 75% | 0.746 | S | S | * | * | trans | 93.3 | 133.5 | 151.9 | -79.7 | 18.6 | 0 | 0 | 0 | 120.8 | ||||
| 25 | I | 32.4 | Very low | 30.6 | Very low | 117 Ų | 117 | 142.5 Ų | 142.5 | 60% | 0.6 | 75% | 0.746 | S | S | * | * | cis | -152.6 | 158.4 | -30.6 | -32.4 | 172.8 | 0 | 0 | 0 | 109.4 | ||||
| 26 | Q | 30.1 | Very low | 30.9 | Very low | 185 Ų | 185 | 143.4 Ų | 143.4 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | trans | 110.2 | 126.5 | 149.3 | -68.6 | 175.6 | 21 | 0 | 0 | 116.2 | ||||
| 27 | G | 28.3 | Very low | 31.5 | Very low | 78 Ų | 78 | 140.3 Ų | 140.3 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | cis | -162.4 | 169.3 | 0.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 28 | L | 26.8 | Very low | 31.6 | Very low | 161 Ų | 161 | 140.9 Ų | 140.9 | 84% | 0.843 | 75% | 0.748 | S | S | * | * | trans | -75.2 | 172.3 | 177.8 | -85.3 | 164 | 0 | 0 | 0 | 112.1 | ||||
| 29 | P | 40.9 | Very low | 32.5 | Very low | 103 Ų | 103 | 140 Ų | 140 | 67% | 0.669 | 75% | 0.751 | S | S | * | * | cis | -148.3 | 151 | 29 | 38.4 | -16.2 | 0 | 0 | 0 | 121.4 | ||||
| 30 | L | 29.6 | Very low | 32.5 | Very low | 119 Ų | 119 | 134.9 Ų | 134.9 | 62% | 0.623 | 74% | 0.74 | S | S | * | * | trans | 62.6 | 159.3 | 137.9 | -56.9 | 171.7 | 0 | 0 | 0 | 119.6 | E32 | L30-E32 VanDerWaalsContact CD2-CD 3.43Å; L30-E32 HydrophobicContact CD2-CG 4.47Å; L30-E32 WeakPolarHBondContact CD2-OE1 3.44Å; L30-E32 WeakPolarHBondContact CD2-OE2 3.16Å | ||
| 31 | K | 25.8 | Very low | 32.1 | Very low | 149 Ų | 149 | 133.2 Ų | 133.2 | 65% | 0.648 | 74% | 0.741 | S | S | * | * | cis | -148.7 | 131.7 | 12.4 | -151.4 | 159.8 | 163.1 | 47.8 | 0 | 108.8 | E33 | K31-E33 IonicContact NZ-OE2 2.68Å; K31-E33 PolarHBondContact NZ-OE2 2.79Å | ||
| 32 | E | 34.2 | Very low | 32 | Very low | 124 Ų | 124 | 136.5 Ų | 136.5 | 58% | 0.579 | 74% | 0.743 | S | S | * | * | 63.3 | 139 | 68.5 | -80.6 | 166.6 | -168.1 | 0 | 0 | 113 | L30 | L30-E32 VanDerWaalsContact CD2-CD 3.43Å; L30-E32 HydrophobicContact CD2-CG 4.47Å; L30-E32 WeakPolarHBondContact CD2-OE1 3.44Å; L30-E32 WeakPolarHBondContact CD2-OE2 3.16Å | |||
| 33 | E | 32.7 | Very low | 31.8 | Very low | 158 Ų | 158 | 137.9 Ų | 137.9 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | cis | -161.1 | 160.8 | 7.1 | -79.4 | 138.7 | 113.9 | 0 | 0 | 107.7 | K31 | K31-E33 IonicContact NZ-OE2 2.68Å; K31-E33 PolarHBondContact NZ-OE2 2.79Å | ||
| 34 | E | 29.9 | Very low | 31.8 | Very low | 176 Ų | 176 | 138.2 Ų | 138.2 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | cis | -142 | -121.8 | -26.2 | -161.5 | -153.1 | 128.7 | 0 | 0 | 108.6 | ||||
| 35 | I | 28.9 | Very low | 31.7 | Very low | 141 Ų | 141 | 133.3 Ų | 133.3 | 72% | 0.723 | 75% | 0.746 | S | S | * | * | cis | -160.3 | 167.9 | -6 | -159.8 | 160.8 | 0 | 0 | 0 | 110.9 | ||||
| 36 | L | 34.1 | Very low | 31.4 | Very low | 145 Ų | 145 | 134 Ų | 134 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | trans | -139.6 | 157.2 | 167.9 | -159.4 | 88.2 | 0 | 0 | 0 | 111.1 | ||||
| 37 | P | 38.7 | Very low | 31.2 | Very low | 121 Ų | 121 | 129.3 Ų | 129.3 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | -154.8 | 170.1 | 107.8 | 39.8 | -21.3 | 0 | 0 | 0 | 117.9 | |||||
| 38 | E | 31.6 | Very low | 31.2 | Very low | 173 Ų | 173 | 130.5 Ų | 130.5 | 81% | 0.808 | 74% | 0.744 | S | S | * | * | trans | -102.4 | -167.6 | 167.3 | -114.8 | -164.2 | -141.1 | 0 | 0 | 110.5 | ||||
| 39 | P | 47.5 | Very low | 31.3 | Very low | 116 Ų | 116 | 131.9 Ų | 131.9 | 75% | 0.753 | 75% | 0.746 | S | S | * | * | cis | -135 | -172.3 | -1 | 42.5 | -25 | 0 | 0 | 0 | 115.5 | ||||
| 40 | G | 27.6 | Very low | 30.6 | Very low | 68 Ų | 68 | 131.5 Ų | 131.5 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | trans | 136.3 | 101.9 | 140.9 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 41 | S | 23.9 | Very low | 30.5 | Very low | 111 Ų | 111 | 133.6 Ų | 133.6 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | trans | 17 | 129.8 | 146.3 | 59.5 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 42 | E | 27.8 | Very low | 30.5 | Very low | 190 Ų | 190 | 130.7 Ų | 130.7 | 89% | 0.888 | 77% | 0.766 | S | S | * | * | 174.3 | 170.7 | 112 | -95.4 | -175 | -178.8 | 0 | 0 | 113 | |||||
| 43 | T | 25 | Very low | 30.3 | Very low | 130 Ų | 130 | 132.6 Ų | 132.6 | 80% | 0.798 | 78% | 0.775 | S | S | * | * | trans | -147.5 | 166.9 | -176 | 61.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 44 | P | 44.8 | Very low | 30.1 | Very low | 109 Ų | 109 | 131.7 Ų | 131.7 | 71% | 0.708 | 78% | 0.775 | S | S | * | * | cis | -128.6 | -171.7 | -13.4 | 36.4 | -17.8 | 0 | 0 | 0 | 112.7 | ||||
| 45 | T | 25.2 | Very low | 30.2 | Very low | 125 Ų | 125 | 129.5 Ų | 129.5 | 77% | 0.767 | 77% | 0.768 | S | S | * | * | 162 | 139.5 | 124.7 | 40.1 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 46 | V | 25.1 | Very low | 30.3 | Very low | 132 Ų | 132 | 130.7 Ų | 130.7 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | trans | 58.9 | 101.3 | 136.6 | -177.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 47 | A | 26.1 | Very low | 30.1 | Very low | 87 Ų | 87 | 127.2 Ų | 127.2 | 72% | 0.719 | 77% | 0.77 | S | S | * | * | 69.5 | 151.6 | 122.9 | 0 | 0 | 0 | 0 | 0 | 126.1 | |||||
| 48 | S | 29.2 | Very low | 29.8 | Very low | 103 Ų | 103 | 126.2 Ų | 126.2 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | trans | 63.8 | 99.9 | 150.8 | 56.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 49 | E | 28.7 | Very low | 29.6 | Very low | 190 Ų | 190 | 125.9 Ų | 125.9 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | 46.9 | 140.1 | 120.1 | -62 | -175.2 | 121.1 | 0 | 0 | 123.9 | |||||
| 50 | A | 26.7 | Very low | 29 | Very low | 94 Ų | 94 | 128.2 Ų | 128.2 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | trans | 73.3 | 147.9 | 154.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 51 | L | 27.2 | Very low | 29.2 | Very low | 163 Ų | 163 | 135.1 Ų | 135.1 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | cis | -156.9 | 147.7 | -3.9 | -155.3 | 84 | 0 | 0 | 0 | 111.2 | ||||
| 52 | A | 26.2 | Very low | 29.4 | Very low | 88 Ų | 88 | 140.3 Ų | 140.3 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | 63.3 | 168.4 | 152.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 53 | E | 29.6 | Very low | 29.3 | Very low | 165 Ų | 165 | 134.5 Ų | 134.5 | 77% | 0.771 | 78% | 0.779 | S | S | * | * | cis | -155.5 | -178.1 | -0.9 | -148.3 | -168.3 | -161.5 | 0 | 0 | 112.1 | ||||
| 54 | L | 28.8 | Very low | 30.5 | Very low | 138 Ų | 138 | 133.9 Ų | 133.9 | 72% | 0.723 | 78% | 0.776 | S | S | * | * | trans | 81.9 | 138.4 | 165.5 | -45.6 | 179.8 | 0 | 0 | 0 | 117.7 | ||||
| 55 | L | 31.3 | Very low | 29.8 | Very low | 131 Ų | 131 | 137 Ų | 137 | 69% | 0.686 | 78% | 0.782 | S | S | * | * | cis | -171.3 | 151.5 | -19 | -111.9 | -179.7 | 0 | 0 | 0 | 105.8 | ||||
| 56 | H | 31.4 | Very low | 30 | Very low | 165 Ų | 165 | 139.9 Ų | 139.9 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | cis | -131 | -162.6 | 14.7 | -56.6 | 75.1 | 0 | 0 | 0 | 108.6 | ||||
| 57 | G | 30.5 | Very low | 30.3 | Very low | 73 Ų | 73 | 137.5 Ų | 137.5 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | cis | 94.8 | 144 | 7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 58 | A | 32 | Very low | 30.4 | Very low | 99 Ų | 99 | 143.7 Ų | 143.7 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | cis | -170.2 | 156.6 | -3.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 59 | L | 27.8 | Very low | 30.6 | Very low | 167 Ų | 167 | 145.6 Ų | 145.6 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | -170.3 | 137.8 | 146.9 | -111.6 | 171 | 0 | 0 | 0 | 112.8 | ||||
| 60 | L | 34.1 | Very low | 31.7 | Very low | 165 Ų | 165 | 142.5 Ų | 142.5 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | -146.9 | 145.9 | 178.5 | -88.6 | 172.6 | 0 | 0 | 0 | 112.3 | ||||
| 61 | R | 31.5 | Very low | 31.7 | Very low | 212 Ų | 212 | 141.6 Ų | 141.6 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | trans | -155.6 | 141.8 | 159.3 | -69.8 | -167.9 | 175.8 | -179.1 | -0.7 | 107.5 | ||||
| 62 | R | 28.4 | Very low | 31.9 | Very low | 220 Ų | 220 | 139.6 Ų | 139.6 | 83% | 0.83 | 79% | 0.794 | S | S | * | * | cis | -156.6 | 150.6 | -2.9 | -113.1 | 174.8 | 175.9 | 173.6 | -5 | 107.5 | ||||
| 63 | G | 26.9 | Very low | 32.3 | Very low | 69 Ų | 69 | 142.8 Ų | 142.8 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | trans | -86.8 | -156 | 163.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 64 | P | 48.8 | Very low | 33.1 | Very low | 116 Ų | 116 | 140.7 Ų | 140.7 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | cis | -127.3 | -156 | 0.2 | 42.2 | -23 | 0 | 0 | 0 | 110.9 | ||||
| 65 | E | 31.3 | Very low | 33.2 | Very low | 174 Ų | 174 | 141 Ų | 141 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | cis | -162.3 | 161.1 | 1 | -146.1 | 149.3 | -85.1 | 0 | 0 | 110.7 | ||||
| 66 | M | 28.2 | Very low | 34 | Very low | 187 Ų | 187 | 139.2 Ų | 139.2 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | trans | -154.5 | 150.7 | 145.8 | -110.9 | -146.8 | -71 | 0 | 0 | 111.5 | ||||
| 67 | G | 30.8 | Very low | 34 | Very low | 81 Ų | 81 | 138.3 Ų | 138.3 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | trans | -83.2 | -178.8 | -168.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 68 | Y | 29.6 | Very low | 34 | Very low | 217 Ų | 217 | 142.7 Ų | 142.7 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | trans | -148 | 149.8 | -160.9 | -142.8 | -30.1 | 0 | 0 | 0 | 111.6 | ||||
| 69 | L | 33.2 | Very low | 33.8 | Very low | 143 Ų | 143 | 142.6 Ų | 142.6 | 75% | 0.749 | 81% | 0.809 | S | S | * | * | trans | 81.4 | 167.9 | 160.4 | -51.7 | 176.1 | 0 | 0 | 0 | 117.5 | ||||
| 70 | P | 51.2 | Low | 33.8 | Very low | 126 Ų | 126 | 141 Ų | 141 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | -144.3 | -175.3 | -71.2 | 44 | -26.8 | 0 | 0 | 0 | 115.5 | |||||
| 71 | G | 27.9 | Very low | 34.7 | Very low | 75 Ų | 75 | 138.7 Ų | 138.7 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | 117 | 154.5 | 161.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 72 | S | 31 | Very low | 35.6 | Very low | 121 Ų | 121 | 134.7 Ų | 134.7 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | cis | -161.9 | 154.8 | -4.5 | 55.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 73 | D | 34.9 | Very low | 35.9 | Very low | 155 Ų | 155 | 129.1 Ų | 129.1 | 83% | 0.829 | 80% | 0.804 | S | S | * | * | trans | -55.5 | 165.4 | 170.2 | -85.6 | -49.2 | 0 | 0 | 0 | 114.8 | ||||
| 74 | P | 45.2 | Very low | 36.1 | Very low | 121 Ų | 121 | 129 Ų | 129 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | cis | -147.5 | 177.2 | 34 | 43.7 | -23.2 | 0 | 0 | 0 | 120.9 | ||||
| 75 | D | 30.6 | Very low | 35.2 | Very low | 145 Ų | 145 | 133.1 Ų | 133.1 | 78% | 0.775 | 81% | 0.812 | S | S | * | * | trans | -54.8 | 179 | 162.9 | -135.1 | 7 | 0 | 0 | 0 | 114.8 | ||||
| 76 | P | 49.3 | Very low | 35.2 | Very low | 92 Ų | 92 | 130.7 Ų | 130.7 | 60% | 0.597 | 81% | 0.81 | S | S | * | * | cis | -138.1 | 179.8 | -10.3 | 42.6 | -26.5 | 0 | 0 | 0 | 116 | ||||
| 77 | T | 29.8 | Very low | 35.2 | Very low | 147 Ų | 147 | 129.8 Ų | 129.8 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | trans | -161.2 | 149.8 | 142.4 | -1.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 78 | L | 30.5 | Very low | 35.1 | Very low | 164 Ų | 164 | 130.3 Ų | 130.3 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | trans | -93.3 | 150.4 | -177.2 | -91.8 | 63.6 | 0 | 0 | 0 | 113.7 | ||||
| 79 | A | 28.6 | Very low | 35.3 | Very low | 98 Ų | 98 | 126.6 Ų | 126.6 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | trans | -161.4 | 104.4 | 144.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 80 | T | 27.9 | Very low | 35.6 | Very low | 134 Ų | 134 | 125.7 Ų | 125.7 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | trans | -158.7 | 163.3 | 161.8 | 52.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 81 | P | 52.9 | Low | 34.6 | Very low | 116 Ų | 116 | 125 Ų | 125 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | cis | -113.4 | -137.3 | -24.3 | 27.1 | -3.4 | 0 | 0 | 0 | 109 | ||||
| 82 | P | 49.8 | Very low | 34.8 | Very low | 127 Ų | 127 | 129 Ų | 129 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | -134.4 | 177.5 | 58 | 39.5 | -23.2 | 0 | 0 | 0 | 114.3 | |||||
| 83 | A | 34.8 | Very low | 35.3 | Very low | 104 Ų | 104 | 129.3 Ų | 129.3 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | -126.8 | 158.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 84 | G | 31.1 | Very low | 35 | Very low | 67 Ų | 67 | 133.2 Ų | 133.2 | 69% | 0.691 | 81% | 0.809 | S | S | * | * | trans | 130.8 | 110.4 | 154.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 85 | Q | 30.8 | Very low | 34.3 | Very low | 202 Ų | 202 | 131.8 Ų | 131.8 | 94% | 0.944 | 81% | 0.808 | S | S | * | * | -160.3 | 168.4 | 127.5 | -110.9 | 166.1 | 72.7 | 0 | 0 | 110.6 | |||||
| 86 | T | 30.5 | Very low | 34.2 | Very low | 123 Ų | 123 | 132 Ų | 132 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | trans | -143.5 | 163 | -153.8 | -41.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 87 | L | 28.8 | Very low | 33.5 | Very low | 167 Ų | 167 | 136 Ų | 136 | 87% | 0.874 | 83% | 0.825 | S | S | * | * | trans | 81.6 | 149.1 | 174.8 | -47.4 | 168.9 | 0 | 0 | 0 | 113.6 | ||||
| 88 | A | 28.3 | Very low | 34.1 | Very low | 92 Ų | 92 | 135.1 Ų | 135.1 | 76% | 0.76 | 82% | 0.822 | S | S | * | * | cis | -144 | 166.8 | 6.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 89 | V | 34 | Very low | 34.1 | Very low | 140 Ų | 140 | 130.2 Ų | 130.2 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | trans | -102.8 | 141.5 | 167.5 | 174.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 90 | P | 39 | Very low | 34.2 | Very low | 123 Ų | 123 | 132.6 Ų | 132.6 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | trans | -120 | 155.9 | 151 | 35.8 | -25.9 | 0 | 0 | 0 | 112.5 | ||||
| 91 | S | 31.4 | Very low | 34.2 | Very low | 111 Ų | 111 | 129.2 Ų | 129.2 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | -109.9 | 164.1 | -174.7 | 52 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 92 | L | 31.6 | Very low | 33.8 | Very low | 161 Ų | 161 | 129.9 Ų | 129.9 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | trans | -21.9 | 147.5 | 165.2 | -88.2 | 144.1 | 0 | 0 | 0 | 117.5 | ||||
| 93 | P | 41.5 | Very low | 32.8 | Very low | 127 Ų | 127 | 131.2 Ų | 131.2 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | -126.3 | 142.1 | 126.9 | 36.5 | -29.7 | 0 | 0 | 0 | 116 | |||||
| 94 | R | 28.6 | Very low | 32.5 | Very low | 237 Ų | 237 | 132.5 Ų | 132.5 | 89% | 0.894 | 81% | 0.808 | S | S | * | * | trans | -52.3 | 124 | 176.7 | -180 | -175.8 | -161.4 | 155.3 | 3.6 | 117.8 | ||||
| 95 | A | 30.7 | Very low | 32.3 | Very low | 91 Ų | 91 | 135.1 Ų | 135.1 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | trans | 38.8 | 135 | 135.2 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 96 | T | 28.3 | Very low | 32.2 | Very low | 149 Ų | 149 | 130.4 Ų | 130.4 | 91% | 0.914 | 81% | 0.807 | S | S | * | * | trans | -143.4 | 141.5 | 146.6 | -10.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 97 | E | 34.2 | Very low | 32.1 | Very low | 177 Ų | 177 | 130.7 Ų | 130.7 | 83% | 0.827 | 81% | 0.808 | S | S | * | * | trans | -105.9 | 161.5 | 167.4 | -138.6 | -174.8 | -127.2 | 0 | 0 | 108.1 | ||||
| 98 | P | 42.6 | Very low | 32.3 | Very low | 127 Ų | 127 | 129 Ų | 129 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | -147.2 | 169 | 76.1 | 39.7 | -22 | 0 | 0 | 0 | 115.3 | |||||
| 99 | G | 31.2 | Very low | 32.9 | Very low | 62 Ų | 62 | 129.5 Ų | 129.5 | 64% | 0.639 | 80% | 0.8 | S | S | * | * | trans | -121.8 | 172.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 100 | T | 30.1 | Very low | 32.6 | Very low | 147 Ų | 147 | 130.7 Ų | 130.7 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | trans | -153.9 | 139.1 | 167.3 | -38.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 101 | G | 29 | Very low | 32.1 | Very low | 63 Ų | 63 | 128.4 Ų | 128.4 | 65% | 0.649 | 80% | 0.801 | S | S | * | * | trans | -83 | -164.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 102 | P | 44.3 | Very low | 31.9 | Very low | 131 Ų | 131 | 129.5 Ų | 129.5 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | -141.5 | -179.7 | 62.2 | 38.9 | -21.6 | 0 | 0 | 0 | 116.2 | |||||
| 103 | L | 28.3 | Very low | 31.8 | Very low | 155 Ų | 155 | 133.1 Ų | 133.1 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | trans | -92.9 | 160.1 | 176.6 | -55.4 | 81.1 | 0 | 0 | 0 | 112.2 | ||||
| 104 | T | 27.5 | Very low | 31.1 | Very low | 130 Ų | 130 | 130.9 Ų | 130.9 | 80% | 0.798 | 81% | 0.806 | S | S | * | * | -166.1 | 104.5 | 127.5 | 18.9 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 105 | T | 27.6 | Very low | 31.1 | Very low | 123 Ų | 123 | 124.7 Ų | 124.7 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | 73.9 | 122.5 | 104.3 | 57.5 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 106 | A | 29.2 | Very low | 30.9 | Very low | 102 Ų | 102 | 123.8 Ų | 123.8 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -85.8 | 156.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 107 | V | 27.6 | Very low | 32 | Very low | 129 Ų | 129 | 122.5 Ų | 122.5 | 78% | 0.782 | 80% | 0.799 | S | S | * | * | trans | -141.5 | 134.4 | 173 | 178.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 108 | T | 32.4 | Very low | 31.7 | Very low | 133 Ų | 133 | 121 Ų | 121 | 82% | 0.816 | 80% | 0.802 | S | S | * | * | trans | -123.8 | 151.6 | 154.8 | 58.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 109 | P | 41.4 | Very low | 31.2 | Very low | 101 Ų | 101 | 119.2 Ų | 119.2 | 66% | 0.656 | 80% | 0.798 | S | S | * | * | -154.9 | 163.1 | 99.2 | 39.2 | -21 | 0 | 0 | 0 | 117.1 | |||||
| 110 | N | 28.1 | Very low | 31.8 | Very low | 165 Ų | 165 | 121.2 Ų | 121.2 | 88% | 0.882 | 80% | 0.799 | S | S | * | * | trans | 38.8 | 123.5 | 144.3 | -56.7 | -19.8 | 0 | 0 | 0 | 121.7 | ||||
| 111 | G | 28.2 | Very low | 31.7 | Very low | 76 Ų | 76 | 122.3 Ų | 122.3 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | trans | -107.3 | -170.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 112 | V | 28.3 | Very low | 31.8 | Very low | 134 Ų | 134 | 126.9 Ų | 126.9 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | trans | -154.4 | 129.3 | 174.1 | 129.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 113 | R | 28.7 | Very low | 31.1 | Very low | 236 Ų | 236 | 128.5 Ų | 128.5 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | trans | 37.7 | 131.2 | 150.5 | -55.3 | 179 | -178.7 | -169.9 | -0.4 | 123.9 | ||||
| 114 | G | 27.1 | Very low | 31.5 | Very low | 81 Ų | 81 | 127 Ų | 127 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | 107.3 | 138.4 | 138.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 115 | A | 29.2 | Very low | 32.1 | Very low | 106 Ų | 106 | 126.5 Ų | 126.5 | 88% | 0.876 | 80% | 0.8 | S | S | * | * | cis | -154.5 | 165.7 | -8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 116 | G | 26.5 | Very low | 33 | Very low | 73 Ų | 73 | 126.1 Ų | 126.1 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | -105.5 | -151.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 117 | P | 50.3 | Low | 33.7 | Very low | 122 Ų | 122 | 127 Ų | 127 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | cis | -133.6 | 169.1 | -20.2 | 41.1 | -27.3 | 0 | 0 | 0 | 113.3 | ||||
| 118 | T | 27.5 | Very low | 33.9 | Very low | 144 Ų | 144 | 124.2 Ų | 124.2 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | trans | -165.7 | 134.1 | 153.7 | 19.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 119 | A | 32.7 | Very low | 33.8 | Very low | 90 Ų | 90 | 125 Ų | 125 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | trans | -109.6 | 167.2 | 133.4 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 120 | P | 43 | Very low | 33.3 | Very low | 104 Ų | 104 | 126.8 Ų | 126.8 | 68% | 0.675 | 81% | 0.808 | S | S | * | * | cis | -117.6 | -154.5 | 40.1 | 35.6 | -15.7 | 0 | 0 | 0 | 110.7 | ||||
| 121 | E | 28.8 | Very low | 33.4 | Very low | 171 Ų | 171 | 123.6 Ų | 123.6 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | cis | -156.2 | 179.1 | 10.3 | -156.2 | 135.7 | 83 | 0 | 0 | 111.8 | ||||
| 122 | L | 30.1 | Very low | 33.9 | Very low | 159 Ų | 159 | 125.5 Ų | 125.5 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -130.6 | 128.7 | 176.3 | -165.4 | 79.7 | 0 | 0 | 0 | 110.7 | ||||
| 123 | L | 31.3 | Very low | 34.6 | Very low | 165 Ų | 165 | 124.8 Ų | 124.8 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | -105.9 | 138.2 | 179.6 | -77 | 168.6 | 0 | 0 | 0 | 112.5 | ||||
| 124 | T | 35.3 | Very low | 35.3 | Very low | 124 Ų | 124 | 119.3 Ų | 119.3 | 76% | 0.761 | 80% | 0.797 | S | S | * | * | trans | -123.6 | 148.9 | 162 | 56.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 125 | P | 40 | Very low | 35.8 | Very low | 119 Ų | 119 | 121.4 Ų | 121.4 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | -153.6 | -153.7 | 94.8 | 37.5 | -13.4 | 0 | 0 | 0 | 112.4 | |||||
| 126 | P | 47.1 | Very low | 36.2 | Very low | 115 Ų | 115 | 121.9 Ų | 121.9 | 75% | 0.747 | 79% | 0.792 | S | S | * | * | -126.1 | -144.7 | -77 | 44.7 | -27.1 | 0 | 0 | 0 | 112.3 | |||||
| 127 | P | 45.1 | Very low | 36.9 | Very low | 121 Ų | 121 | 124.7 Ų | 124.7 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | -135.2 | 161.1 | -114.2 | 40.1 | -19 | 0 | 0 | 0 | 119.2 | |||||
| 128 | G | 29.9 | Very low | 36 | Very low | 69 Ų | 69 | 123.6 Ų | 123.6 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | 101.5 | 126 | 129.7 | 0 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 129 | T | 30.7 | Very low | 36.3 | Very low | 151 Ų | 151 | 122.4 Ų | 122.4 | 93% | 0.926 | 80% | 0.796 | S | S | * | * | trans | -165.5 | 168.3 | 138.7 | 14.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 130 | T | 32.4 | Very low | 36.6 | Very low | 137 Ų | 137 | 124.4 Ų | 124.4 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | trans | -133.3 | 143.7 | -163.1 | 42.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 131 | A | 29.9 | Very low | 36.1 | Very low | 99 Ų | 99 | 122.8 Ų | 122.8 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | 69.2 | 162.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 132 | P | 37.8 | Very low | 36.8 | Very low | 116 Ų | 116 | 120.6 Ų | 120.6 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | cis | -119.9 | 177.2 | -1.1 | 41.4 | -28.1 | 0 | 0 | 0 | 114.4 | ||||
| 133 | P | 43.5 | Very low | 37.3 | Very low | 119 Ų | 119 | 119.1 Ų | 119.1 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 160.7 | 173.6 | 31.7 | -36.7 | 0 | 0 | 0 | 114.1 | ||
| 134 | P | 43.8 | Very low | 37.3 | Very low | 121 Ų | 121 | 119.8 Ų | 119.8 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 160.2 | -176.7 | 33 | -37 | 0 | 0 | 0 | 114.2 | ||
| 135 | P | 37.5 | Very low | 37.1 | Very low | 124 Ų | 124 | 117.2 Ų | 117.2 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 152.2 | -178 | 34.9 | -36 | 0 | 0 | 0 | 114.2 | ||
| 136 | S | 36.8 | Very low | 37.4 | Very low | 116 Ų | 116 | 118 Ų | 118 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 144.1 | 171.1 | -46.5 | 0 | 0 | 0 | 0 | 112.1 | ||
| 137 | P | 41.5 | Very low | 36.8 | Very low | 132 Ų | 132 | 121.9 Ų | 121.9 | 86% | 0.857 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 143.6 | 171.2 | 30.3 | -34.2 | 0 | 0 | 0 | 111.3 | ||
| 138 | A | 31.4 | Very low | 36.1 | Very low | 99 Ų | 99 | 120.2 Ų | 120.2 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | trans | -105.1 | 140.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 139 | S | 32.8 | Very low | 36.2 | Very low | 120 Ų | 120 | 120.8 Ų | 120.8 | 84% | 0.839 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -77 | 137.6 | 174 | -53.1 | 0 | 0 | 0 | 0 | 111.8 | ||
| 140 | P | 39.7 | Very low | 36.3 | Very low | 132 Ų | 132 | 123.4 Ų | 123.4 | 86% | 0.857 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 134.5 | 171.6 | 31.2 | -33.1 | 0 | 0 | 0 | 111.4 | ||
| 141 | G | 32.8 | Very low | 36.4 | Very low | 69 Ų | 69 | 125.9 Ų | 125.9 | 71% | 0.711 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 155.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 142 | P | 43.5 | Very low | 36.3 | Very low | 126 Ų | 126 | 130.3 Ų | 130.3 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 160.9 | 177.8 | 34.5 | -36 | 0 | 0 | 0 | 113.1 | ||
| 143 | P | 39.9 | Very low | 35.8 | Very low | 128 Ų | 128 | 130.2 Ų | 130.2 | 83% | 0.831 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 153.9 | -179.6 | 33.6 | -35.5 | 0 | 0 | 0 | 114.7 | ||
| 144 | L | 32.5 | Very low | 35 | Very low | 178 Ų | 178 | 131.2 Ų | 131.2 | 93% | 0.932 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 159.7 | 166.6 | -58.1 | 158.6 | 0 | 0 | 0 | 109.9 | ||
| 145 | G | 31.6 | Very low | 34.2 | Very low | 70 Ų | 70 | 130.8 Ų | 130.8 | 72% | 0.722 | 83% | 0.834 | S | S | * | * | cis | -170.2 | -146.9 | 4.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 146 | P | 45.3 | Very low | 33.9 | Very low | 135 Ų | 135 | 130.5 Ų | 130.5 | 88% | 0.877 | 83% | 0.83 | S | S | * | * | cis | -126.8 | -156.3 | 6.8 | 43.9 | -27.1 | 0 | 0 | 0 | 113.5 | ||||
| 147 | E | 34.4 | Very low | 33.6 | Very low | 198 Ų | 198 | 131.8 Ų | 131.8 | 93% | 0.925 | 83% | 0.826 | S | S | * | * | trans | -74.1 | 155.7 | -166.6 | -62 | 160.2 | 89.2 | 0 | 0 | 117 | ||||
| 148 | G | 31.1 | Very low | 33.5 | Very low | 85 Ų | 85 | 132.4 Ų | 132.4 | 88% | 0.876 | 82% | 0.821 | S | S | * | * | trans | 176 | 100.6 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 149 | G | 32.4 | Very low | 33.5 | Very low | 81 Ų | 81 | 133.4 Ų | 133.4 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | trans | -122.1 | 135.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 150 | E | 31.9 | Very low | 33.8 | Very low | 207 Ų | 207 | 134.1 Ų | 134.1 | 97% | 0.967 | 82% | 0.816 | S | S | * | * | trans | -147 | 151.6 | 166.7 | -115.7 | 167.2 | -178.3 | 0 | 0 | 109 | ||||
| 151 | E | 33.8 | Very low | 33.5 | Very low | 189 Ų | 189 | 134.1 Ų | 134.1 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | trans | -114.9 | 125.9 | -167.7 | 173 | -175.4 | -159.6 | 0 | 0 | 109.4 | ||||
| 152 | E | 28.8 | Very low | 33.3 | Very low | 191 Ų | 191 | 136.6 Ų | 136.6 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | trans | -148.7 | 149.9 | 167 | -142.1 | 173.2 | -156.4 | 0 | 0 | 114.4 | ||||
| 153 | T | 26.1 | Very low | 32.7 | Very low | 114 Ų | 114 | 137 Ų | 137 | 70% | 0.699 | 82% | 0.815 | S | S | * | * | trans | -90.6 | 130.8 | -162 | 52.7 | 0 | 0 | 0 | 0 | 114.3 | T155 | T153-T155 PolarHBondContact O-N 2.7Š| ||
| 154 | T | 27.5 | Very low | 32.2 | Very low | 140 Ų | 140 | 136.5 Ų | 136.5 | 86% | 0.859 | 81% | 0.81 | S | S | * | * | trans | -68.9 | 109.7 | 171.7 | -46 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 155 | T | 28 | Very low | 32.2 | Very low | 113 Ų | 113 | 134.1 Ų | 134.1 | 69% | 0.693 | 80% | 0.803 | S | S | * | * | trans | -109.1 | 112.5 | 170 | -60.5 | 0 | 0 | 0 | 0 | 110.6 | T153 | T153-T155 PolarHBondContact O-N 2.7Š| ||
| 156 | T | 30.1 | Very low | 32.2 | Very low | 118 Ų | 118 | 136.5 Ų | 136.5 | 72% | 0.724 | 80% | 0.804 | S | S | * | * | trans | -80.9 | 126 | 179.9 | -43.9 | 0 | 0 | 0 | 0 | 111.4 | I158 | T156-I158 HydrophobicContact CG2-CG1 4.5Š| ||
| 157 | I | 31.7 | Very low | 31.8 | Very low | 143 Ų | 143 | 137.2 Ų | 137.2 | 73% | 0.733 | 81% | 0.805 | S | S | * | * | trans | -123.1 | 124.3 | 167.5 | -60.6 | -178.9 | 0 | 0 | 0 | 109 | ||||
| 158 | I | 39.2 | Very low | 31.7 | Very low | 145 Ų | 145 | 133.8 Ų | 133.8 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | trans | -97.5 | 125.1 | 178.4 | -58.6 | 170.5 | 0 | 0 | 0 | 108.8 | T156 | T156-I158 HydrophobicContact CG2-CG1 4.5Š| ||
| 159 | T | 29.6 | Very low | 31.8 | Very low | 120 Ų | 120 | 135.1 Ų | 135.1 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | trans | -133.9 | 111 | 163.7 | 49.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 160 | T | 39.9 | Very low | 32.7 | Very low | 135 Ų | 135 | 137.4 Ų | 137.4 | 83% | 0.828 | 79% | 0.794 | S | S | * | * | trans | -75.2 | 134 | 172.1 | 49.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 161 | T | 32.7 | Very low | 32.7 | Very low | 132 Ų | 132 | 131 Ų | 131 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | trans | -128.4 | 139.4 | 169.9 | -48.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 162 | T | 30.2 | Very low | 33 | Very low | 120 Ų | 120 | 129 Ų | 129 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | trans | -75.9 | 142.8 | -169 | 48.4 | 0 | 0 | 0 | 0 | 114.1 | T164 | T162-T164 PolarHBondContact O-N 2.71Š| ||
| 163 | V | 30 | Very low | 33.4 | Very low | 135 Ų | 135 | 126.5 Ų | 126.5 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -72.6 | 116.8 | 169.3 | 179.3 | 0 | 0 | 0 | 0 | 110.4 | T165 | V163-T165 HydrophobicContact CG1-CG2 4.41Š| ||
| 164 | T | 30.3 | Very low | 34.4 | Very low | 117 Ų | 117 | 129.2 Ų | 129.2 | 72% | 0.718 | 78% | 0.775 | S | S | * | * | trans | -106.7 | 115.2 | 163 | 47 | 0 | 0 | 0 | 0 | 109.9 | T162 T166 | T162-T164 PolarHBondContact O-N 2.71Å; T164-T166 PolarHBondContact O-N 2.76Å | ||
| 165 | T | 31.2 | Very low | 35.6 | Very low | 129 Ų | 129 | 129.4 Ų | 129.4 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | trans | -76 | 120.6 | 177.7 | 50.3 | 0 | 0 | 0 | 0 | 111.8 | V163 | V163-T165 HydrophobicContact CG1-CG2 4.41Š| ||
| 166 | T | 31.4 | Very low | 37.5 | Very low | 120 Ų | 120 | 129.1 Ų | 129.1 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | trans | -119.4 | 120.5 | 165.2 | 50.1 | 0 | 0 | 0 | 0 | 109.6 | T164 T168 | T164-T166 PolarHBondContact O-N 2.76Å; T166-T168 PolarHBondContact O-N 2.74Å | ||
| 167 | V | 37 | Very low | 39.9 | Very low | 149 Ų | 149 | 124.6 Ų | 124.6 | 90% | 0.903 | 74% | 0.737 | S | S | * | * | trans | -82.8 | 106.9 | -179.9 | 177.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 168 | T | 32.3 | Very low | 42.4 | Very low | 127 Ų | 127 | 117.9 Ų | 117.9 | 78% | 0.779 | 70% | 0.703 | S | S | * | * | trans | -146.6 | 118.5 | 165.3 | 48.5 | 0 | 0 | 0 | 0 | 110.5 | T166 | T166-T168 PolarHBondContact O-N 2.74Š| ||
| 169 | S | 34.6 | Very low | 44.5 | Very low | 113 Ų | 113 | 113.7 Ų | 113.7 | 79% | 0.79 | 70% | 0.696 | S | S | * | * | trans | -101.9 | 169.8 | 147.7 | 65.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 170 | P | 50.4 | Low | 47.2 | Very low | 128 Ų | 128 | 113.9 Ų | 113.9 | 83% | 0.831 | 69% | 0.687 | S | S | * | * | cis | -115.3 | 173.8 | -4 | 40.7 | -29.2 | 0 | 0 | 0 | 113 | ||||
| 171 | G | 33 | Very low | 49.5 | Very low | 72 Ų | 72 | 107.6 Ų | 107.6 | 74% | 0.742 | 65% | 0.648 | S | S | * | * | trans | 161 | 91.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 172 | D | 38.3 | Very low | 51.9 | Low | 147 Ų | 147 | 105.4 Ų | 105.4 | 79% | 0.786 | 64% | 0.636 | S | S | * | * | trans | -64.4 | 142.4 | 179.2 | -55 | -71.5 | 0 | 0 | 0 | 112.1 | Y174 | D172-Y174 PolarHBondContact O-N 2.75Š| ||
| 173 | T | 38.6 | Very low | 54.5 | Low | 140 Ų | 140 | 108 Ų | 108 | 86% | 0.859 | 63% | 0.632 | S | S | * | * | trans | -67.4 | 110.9 | 167.6 | 47.7 | 0 | 0 | 0 | 0 | 109 | L175 | T173-L175 PolarHBondContact O-N 3.01Š| ||
| 174 | Y | 47.3 | Very low | 57.2 | Low | 170 Ų | 170 | 102.4 Ų | 102.4 | 67% | 0.667 | 60% | 0.599 | S | S | * | * | trans | -61.5 | 104.1 | -178.7 | -80.7 | -97.4 | 0 | 0 | 0 | 111.8 | D172 L176 | D172-Y174 PolarHBondContact O-N 2.75Å; Y174-L176 PolarHBondContact O-N 2.7Å | ||
| 175 | L | 52 | Low | 59.6 | Low | 144 Ų | 144 | 100.2 Ų | 100.2 | 75% | 0.754 | 59% | 0.593 | S | S | * | * | trans | -72.4 | 110 | 166.1 | -160 | 83.3 | 0 | 0 | 0 | 108.3 | T173 S177 | T173-L175 PolarHBondContact O-N 3.01Å; L175-S177 PolarHBondContact O-N 3.24Å | ||
| 176 | L | 67.4 | Low | 62.1 | Low | 108 Ų | 108 | 97.2 Ų | 97.2 | 57% | 0.565 | 57% | 0.569 | S | S | * | * | trans | -85.9 | 51.4 | -177.9 | -76.7 | 139.9 | 0 | 0 | 0 | 111.6 | Y174 | Y174-L176 PolarHBondContact O-N 2.7Š| ||
| 177 | S | 79.9 | Confident | 64.8 | Low | 22 Ų | 22 | 92.2 Ų | 92.2 | 15% | 0.154 | 54% | 0.541 | C | S | . | . | S | Bend | trans | -136 | 152.4 | -177.2 | -48.4 | 0 | 0 | 0 | 0 | 109.7 | L175 L194 | L175-S177 PolarHBondContact O-N 3.24Å; S177-L194 CarbonylContact C-O 3.59Å; S177-L194 VanDerWaalsContact CA-O 3.32Å; S177-L194 WeakPolarHBondContact CA-O 3.32Å; S177-L194 WeakPolarHBondContact CB-O 3.34Å |
| 178 | C | 84.7 | Confident | 67.2 | Low | 2 Ų | 2 | 88.9 Ų | 88.9 | 1% | 0.014 | 52% | 0.519 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 145.5 | 167.8 | -70.8 | 0 | 0 | 0 | 0 | 110.2 | L194 C218 P224 S225 W226 | C178-L194 PolarHBondContact N-O 2.85Å; C178-C218 HydrophobicContact CB-CB 3.92Å; C178-C218 WeakPolarHBondContact CB-SG 3.43Å; C178-C218 WeakPolarHBondContact SG-CA 3.43Å; C178-C218 WeakPolarHBondContact SG-CB 3.3Å; C178-C218 CovalentContact SG-SG 2.03Å; C178-C218 PolarHBondContact SG-SG 3.3Å; C178-P224 VanDerWaalsContact SG-C 3.59Å; C178-S225 PolarHBondContact SG-N 2.86Å; C178-S225 VanDerWaalsContact SG-N 3.42Å; C178-W226 HydrophobicContact CB-CD2 4.37Å; C178-W226 HydrophobicContact CB-CH2 4.49Å; C178-W226 HydrophobicContact CB-CZ2 3.8Å |
| 179 | G | 84.5 | Confident | 70 | Confident | 57 Ų | 57 | 83.2 Ų | 83.2 | 59% | 0.588 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 143.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | W226 | G179-W226 PolarHBondContact O-NE1 3.2Š|
| 180 | F | 85.9 | Confident | 72.6 | Confident | 125 Ų | 125 | 80.4 Ų | 80.4 | 55% | 0.548 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 126 | 175.3 | -167.4 | -82.8 | 0 | 0 | 0 | 109.3 | V189 V191 L194 | F180-V189 HydrophobicContact CE1-CG1 3.82Å; F180-V189 HydrophobicContact CZ-CG1 4.07Å; F180-V191 HydrophobicContact CD2-CG2 4.27Å; F180-V191 HydrophobicContact CE2-CB 4.08Å; F180-V191 HydrophobicContact CE2-CG2 3.63Å; F180-V191 HydrophobicContact CZ-CG2 3.81Å; F180-L194 HydrophobicContact CB-CD2 4.46Å; F180-L194 HydrophobicContact CD2-CD1 4.45Å; F180-L194 HydrophobicContact CD2-CD2 4.27Å |
| 181 | P | 86.8 | Confident | 74.5 | Confident | 3 Ų | 3 | 76.3 Ų | 76.3 | 2% | 0.019 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 142.8 | -174.6 | 26.7 | -33.6 | 0 | 0 | 0 | 110.8 | R183 V189 V191 A200 F202 W226 T230 | P181-R183 PolarHBondContact O-N 3.5Å; P181-V189 HydrophobicContact CG-CG1 4.08Å; P181-V189 HydrophobicContact CG-CG2 3.91Å; P181-V191 HydrophobicContact CG-CG2 4.04Å; P181-A200 HydrophobicContact CG-CB 3.89Å; P181-F202 HydrophobicContact CB-CE1 4.31Å; P181-F202 HydrophobicContact CB-CZ 3.87Å; P181-F202 HydrophobicContact CG-CZ 4.16Å; P181-W226 HydrophobicContact CG-CZ2 4.34Å; P181-T230 HydrophobicContact CB-CG2 4.17Å |
| 182 | P | 84.8 | Confident | 77.1 | Confident | 86 Ų | 86 | 77.8 Ų | 77.8 | 56% | 0.558 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 140.5 | 172.3 | 26.8 | -33.8 | 0 | 0 | 0 | 109.9 | T230 | P182-T230 HydrophobicContact CG-CG2 3.98Š|
| 183 | R | 83.4 | Confident | 79.2 | Confident | 175 Ų | 175 | 74.3 Ų | 74.3 | 66% | 0.66 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 137.1 | 171.6 | -74.1 | -176.8 | -72.1 | -172.5 | -1.9 | 109.5 | P181 D188 V189 | P181-R183 PolarHBondContact O-N 3.5Å; R183-D188 WeakPolarHBondContact CD-OD1 3.29Å; R183-D188 IonicContact NH1-OD1 3.54Å; R183-V189 HydrophobicContact CG-CG1 3.85Å |
| 184 | P | 86.9 | Confident | 81.4 | Confident | 17 Ų | 17 | 70.1 Ų | 70.1 | 11% | 0.11 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 157.1 | 174.6 | 29.4 | -33.8 | 0 | 0 | 0 | 110.2 | F202 | P184-F202 HydrophobicContact CG-CD1 4.41Š|
| 185 | A | 80.3 | Confident | 83.4 | Confident | 71 Ų | 71 | 66.7 Ų | 66.7 | 59% | 0.587 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 136.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | C233 | A185-C233 WeakPolarHBondContact O-CB 3.41Š|
| 186 | H | 84.7 | Confident | 85 | Confident | 65 Ų | 65 | 62.2 Ų | 62.2 | 30% | 0.301 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 43.9 | -178.4 | -42.1 | -60.9 | 0 | 0 | 0 | 113.9 | D205 Y208 C233 E253 | H186-D205 VanDerWaalsContact CA-OD2 3.25Å; H186-D205 WeakPolarHBondContact CA-OD2 3.31Å; H186-D205 PolarHBondContact O-N 2.91Å; H186-Y208 HydrophobicContact CB-CD1 3.74Å; H186-Y208 HydrophobicContact CB-CD2 3.79Å; H186-Y208 HydrophobicContact CB-CE1 3.66Å; H186-Y208 HydrophobicContact CB-CE2 3.71Å; H186-Y208 HydrophobicContact CB-CG 3.82Å; H186-Y208 AromaticContact CD2-CE1 3.29Å; H186-Y208 WeakPolarHBondContact CD2-CE1 3.14Å; H186-Y208 AromaticContact CD2-CZ 3.6Å; H186-Y208 AromaticContact CG-CE1 3.51Å; H186-Y208 AromaticContact CG-CE2 3.95Å; H186-Y208 AromaticContact CG-CZ 3.42Å; H186-Y208 VanDerWaalsContact CG-CZ 3.42Å; H186-Y208 AromaticContact ND1-CZ 3.9Å; H186-C233 WeakPolarHBondContact O-CB 3.08Å; H186-E253 IonicContact CD2-OE1 2.75Å; H186-E253 IonicContact CE1-OE1 3.01Å; H186-E253 IonicContact NE2-OE1 3.47Å; H186-E253 PolarHBondContact NE2-OE1 2.81Å |
| 187 | G | 87.3 | Confident | 85.9 | Confident | 15 Ų | 15 | 59.8 Ų | 59.8 | 16% | 0.155 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.7 | -176.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | H203 D205 | G187-H203 CarbonylContact C-O 3.46Å; G187-H203 WeakPolarHBondContact CA-O 3.36Å; G187-D205 PolarHBondContact N-OD2 3.47Å |
| 188 | D | 87.1 | Confident | 86.3 | Confident | 80 Ų | 80 | 59 Ų | 59 | 43% | 0.428 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 170.7 | -178.1 | -162.3 | 19.5 | 0 | 0 | 0 | 111.9 | R183 H203 | R183-D188 WeakPolarHBondContact CD-OD1 3.29Å; R183-D188 IonicContact NH1-OD1 3.54Å; D188-H203 PolarHBondContact N-O 2.98Å; D188-H203 PolarHBondContact O-N 3.12Å |
| 189 | V | 91.1 | Very high | 86.7 | Confident | 8 Ų | 8 | 60.7 Ų | 60.7 | 5% | 0.048 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 121 | 178.8 | 68.7 | 0 | 0 | 0 | 0 | 112.2 | F180 P181 R183 V191 A200 T201 F202 | F180-V189 HydrophobicContact CE1-CG1 3.82Å; F180-V189 HydrophobicContact CZ-CG1 4.07Å; P181-V189 HydrophobicContact CG-CG1 4.08Å; P181-V189 HydrophobicContact CG-CG2 3.91Å; R183-V189 HydrophobicContact CG-CG1 3.85Å; V189-V191 HydrophobicContact CG1-CG2 4.41Å; V189-V191 HydrophobicContact CG2-CG2 4.13Å; V189-A200 HydrophobicContact CG2-CB 3.95Å; V189-T201 WeakPolarHBondContact CA-O 3.47Å; V189-F202 HydrophobicContact CB-CD1 3.86Å; V189-F202 HydrophobicContact CB-CE1 3.84Å; V189-F202 HydrophobicContact CB-CZ 4.44Å; V189-F202 HydrophobicContact CG2-CD1 3.67Å; V189-F202 HydrophobicContact CG2-CD2 4.14Å; V189-F202 HydrophobicContact CG2-CE1 3.46Å; V189-F202 VanDerWaalsContact CG2-CE1 3.46Å; V189-F202 HydrophobicContact CG2-CE2 3.92Å; V189-F202 HydrophobicContact CG2-CG 4.01Å; V189-F202 HydrophobicContact CG2-CZ 3.58Å |
| 190 | S | 90.6 | Very high | 87 | Confident | 54 Ų | 54 | 58 Ų | 58 | 38% | 0.378 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 123.1 | 172.6 | 61.9 | 0 | 0 | 0 | 0 | 109.9 | A200 T201 H203 | S190-A200 CarbonylContact O-C 3.56Å; S190-A200 WeakPolarHBondContact O-CA 3.45Å; S190-T201 PolarHBondContact N-O 2.96Å; S190-T201 PolarHBondContact O-N 3.39Å; S190-T201 PolarHBondContact OG-O 2.84Å; S190-H203 PolarHBondContact OG-NE2 2.87Å |
| 191 | V | 89.3 | Confident | 87.4 | Confident | 42 Ų | 42 | 53.3 Ų | 53.3 | 26% | 0.255 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 126.8 | -175.4 | -174.9 | 0 | 0 | 0 | 0 | 109.9 | F180 P181 V189 L194 T199 A200 W226 | F180-V191 HydrophobicContact CD2-CG2 4.27Å; F180-V191 HydrophobicContact CE2-CB 4.08Å; F180-V191 HydrophobicContact CE2-CG2 3.63Å; F180-V191 HydrophobicContact CZ-CG2 3.81Å; P181-V191 HydrophobicContact CG-CG2 4.04Å; V189-V191 HydrophobicContact CG1-CG2 4.41Å; V189-V191 HydrophobicContact CG2-CG2 4.13Å; V191-L194 HydrophobicContact CG1-CD2 3.81Å; V191-L194 HydrophobicContact CG1-CG 4.36Å; V191-T199 WeakPolarHBondContact CA-O 3.41Å; V191-A200 HydrophobicContact CG2-CB 3.98Å; V191-W226 HydrophobicContact CG1-CH2 4.35Å |
| 192 | T | 88.4 | Confident | 87.7 | Confident | 102 Ų | 102 | 53.3 Ų | 53.3 | 63% | 0.626 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -84.9 | -44.1 | -178.4 | 58.1 | 0 | 0 | 0 | 0 | 112.3 | T199 | T192-T199 WeakPolarHBondContact CG2-OG1 3.3Å; T192-T199 PolarHBondContact N-O 2.89Å; T192-T199 PolarHBondContact OG1-N 3.38Å; T192-T199 PolarHBondContact OG1-O 2.71Å; T192-T199 VanDerWaalsContact OG1-O 3.12Å; T192-T199 PolarHBondContact OG1-OG1 2.64Å |
| 193 | D | 81.5 | Confident | 88.1 | Confident | 74 Ų | 74 | 53.4 Ų | 53.4 | 40% | 0.396 | 31% | 0.307 | S | S | . | . | trans | -156 | 154.5 | 172.5 | -163.8 | -9.5 | 0 | 0 | 0 | 109.4 | H195 G198 | D193-H195 IonicContact OD1-CE1 3.05Å; D193-H195 IonicContact OD1-CG 2.74Å; D193-H195 PolarHBondContact OD1-N 2.76Å; D193-H195 IonicContact OD1-ND1 2.68Å; D193-H195 PolarHBondContact OD1-ND1 3.13Å; D193-H195 IonicContact OD2-CG 3.18Å; D193-H195 IonicContact OD2-ND1 2.63Å; D193-H195 PolarHBondContact OD2-ND1 2.96Å; D193-G198 WeakPolarHBondContact O-CA 3.44Å | ||
| 194 | L | 86.4 | Confident | 88.4 | Confident | 52 Ų | 52 | 46.9 Ų | 46.9 | 27% | 0.272 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -97.7 | -9 | 172.1 | -64.2 | 175.7 | 0 | 0 | 0 | 112.6 | S177 C178 F180 V191 C218 W226 | S177-L194 CarbonylContact C-O 3.59Å; S177-L194 VanDerWaalsContact CA-O 3.32Å; S177-L194 WeakPolarHBondContact CA-O 3.32Å; S177-L194 WeakPolarHBondContact CB-O 3.34Å; C178-L194 PolarHBondContact N-O 2.85Å; F180-L194 HydrophobicContact CB-CD2 4.46Å; F180-L194 HydrophobicContact CD2-CD1 4.45Å; F180-L194 HydrophobicContact CD2-CD2 4.27Å; V191-L194 HydrophobicContact CG1-CD2 3.81Å; V191-L194 HydrophobicContact CG1-CG 4.36Å; L194-C218 PolarHBondContact O-SG 2.89Å; L194-C218 VanDerWaalsContact O-SG 3.35Å; L194-W226 HydrophobicContact CD2-CH2 4.44Å; L194-W226 HydrophobicContact CD2-CZ2 3.9Å |
| 195 | H | 87.5 | Confident | 88.4 | Confident | 99 Ų | 99 | 50.1 Ų | 50.1 | 46% | 0.458 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -72.1 | 158.8 | 172.3 | -61.8 | 95.2 | 0 | 0 | 0 | 112 | D193 G197 G198 | D193-H195 IonicContact OD1-CE1 3.05Å; D193-H195 IonicContact OD1-CG 2.74Å; D193-H195 PolarHBondContact OD1-N 2.76Å; D193-H195 IonicContact OD1-ND1 2.68Å; D193-H195 PolarHBondContact OD1-ND1 3.13Å; D193-H195 IonicContact OD2-CG 3.18Å; D193-H195 IonicContact OD2-ND1 2.63Å; D193-H195 PolarHBondContact OD2-ND1 2.96Å; H195-G197 PolarHBondContact O-N 3.1Å; H195-G198 PolarHBondContact O-N 3.15Å |
| 196 | P | 86.6 | Confident | 88.7 | Confident | 50 Ų | 50 | 49.7 Ų | 49.7 | 33% | 0.325 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | 125.2 | 175.4 | -30.1 | 37.4 | 0 | 0 | 0 | 113.7 | C218 N220 P224 | P196-C218 WeakPolarHBondContact CA-O 3.48Å; P196-N220 HydrophobicContact CB-CB 3.72Å; P196-N220 HydrophobicContact CG-CB 4.38Å; P196-P224 HydrophobicContact CG-CB 4.3Å; P196-P224 HydrophobicContact CG-CG 4.04Å |
| 197 | G | 85.2 | Confident | 88.7 | Confident | 57 Ų | 57 | 47.7 Ų | 47.7 | 59% | 0.588 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.8 | -14.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | H195 C218 | H195-G197 PolarHBondContact O-N 3.1Å; G197-C218 PolarHBondContact N-O 3.45Å |
| 198 | G | 88.9 | Confident | 88.7 | Confident | 6 Ų | 6 | 49.3 Ų | 49.3 | 6% | 0.062 | 30% | 0.296 | C | S | . | . | trans | -66.4 | 156.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | D193 H195 I217 C218 | D193-G198 WeakPolarHBondContact O-CA 3.44Å; H195-G198 PolarHBondContact O-N 3.15Å; G198-I217 WeakPolarHBondContact O-CA 3.32Å; G198-C218 PolarHBondContact O-N 3.24Å | ||
| 199 | T | 93.1 | Very high | 88.7 | Confident | 37 Ų | 37 | 51 Ų | 51 | 23% | 0.227 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 147.8 | -175.1 | 66 | 0 | 0 | 0 | 0 | 112.4 | V191 T192 T215 L216 I217 | V191-T199 WeakPolarHBondContact CA-O 3.41Å; T192-T199 WeakPolarHBondContact CG2-OG1 3.3Å; T192-T199 PolarHBondContact N-O 2.89Å; T192-T199 PolarHBondContact OG1-N 3.38Å; T192-T199 PolarHBondContact OG1-O 2.71Å; T192-T199 VanDerWaalsContact OG1-O 3.12Å; T192-T199 PolarHBondContact OG1-OG1 2.64Å; T199-T215 HydrophobicContact CG2-CG2 4.28Å; T199-L216 CarbonylContact C-O 3.59Å; T199-L216 VanDerWaalsContact CA-O 3.29Å; T199-L216 WeakPolarHBondContact CA-O 3.37Å; T199-I217 HydrophobicContact CG2-CG1 4.34Å |
| 200 | A | 92 | Very high | 88.6 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 116.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109 | P181 V189 S190 V191 F202 T215 L216 W226 | P181-A200 HydrophobicContact CG-CB 3.89Å; V189-A200 HydrophobicContact CG2-CB 3.95Å; S190-A200 CarbonylContact O-C 3.56Å; S190-A200 WeakPolarHBondContact O-CA 3.45Å; V191-A200 HydrophobicContact CG2-CB 3.98Å; A200-F202 HydrophobicContact CB-CE2 4.02Å; A200-F202 HydrophobicContact CB-CZ 4.33Å; A200-F202 WeakPolarHBondContact O-CE2 3.41Å; A200-T215 CarbonylContact O-C 3.57Å; A200-T215 WeakPolarHBondContact O-CA 3.26Å; A200-L216 PolarHBondContact N-O 2.88Å; A200-L216 PolarHBondContact O-N 2.79Å; A200-W226 HydrophobicContact CB-CE3 4.25Å; A200-W226 HydrophobicContact CB-CH2 3.71Å; A200-W226 HydrophobicContact CB-CZ2 4.2Å; A200-W226 HydrophobicContact CB-CZ3 3.73Å |
| 201 | T | 93.9 | Very high | 88.6 | Confident | 27 Ų | 27 | 54.4 Ų | 54.4 | 17% | 0.166 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 128.7 | -178.6 | -45.7 | 0 | 0 | 0 | 0 | 109.6 | V189 S190 E214 | V189-T201 WeakPolarHBondContact CA-O 3.47Å; S190-T201 PolarHBondContact N-O 2.96Å; S190-T201 PolarHBondContact O-N 3.39Å; S190-T201 PolarHBondContact OG-O 2.84Å; T201-E214 CarbonylContact C-O 3.4Å; T201-E214 WeakPolarHBondContact CA-O 3.36Å; T201-E214 HydrophobicContact CG2-CG 4.18Å |
| 202 | F | 93.5 | Very high | 88.5 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.009 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 139.5 | -173 | -64.8 | -97.8 | 0 | 0 | 0 | 110.8 | P181 P184 V189 A200 L210 E214 L216 T230 P231 | P181-F202 HydrophobicContact CB-CE1 4.31Å; P181-F202 HydrophobicContact CB-CZ 3.87Å; P181-F202 HydrophobicContact CG-CZ 4.16Å; P184-F202 HydrophobicContact CG-CD1 4.41Å; V189-F202 HydrophobicContact CB-CD1 3.86Å; V189-F202 HydrophobicContact CB-CE1 3.84Å; V189-F202 HydrophobicContact CB-CZ 4.44Å; V189-F202 HydrophobicContact CG2-CD1 3.67Å; V189-F202 HydrophobicContact CG2-CD2 4.14Å; V189-F202 HydrophobicContact CG2-CE1 3.46Å; V189-F202 VanDerWaalsContact CG2-CE1 3.46Å; V189-F202 HydrophobicContact CG2-CE2 3.92Å; V189-F202 HydrophobicContact CG2-CG 4.01Å; V189-F202 HydrophobicContact CG2-CZ 3.58Å; A200-F202 HydrophobicContact CB-CE2 4.02Å; A200-F202 HydrophobicContact CB-CZ 4.33Å; A200-F202 WeakPolarHBondContact O-CE2 3.41Å; F202-L210 HydrophobicContact CB-CD1 4.09Å; F202-L210 HydrophobicContact CB-CD2 4.26Å; F202-E214 PolarHBondContact N-O 2.57Å; F202-L216 HydrophobicContact CD2-CG 4.49Å; F202-L216 HydrophobicContact CE2-CB 4.12Å; F202-L216 HydrophobicContact CE2-CD1 3.71Å; F202-L216 HydrophobicContact CE2-CG 3.71Å; F202-L216 HydrophobicContact CZ-CD1 3.93Å; F202-L216 HydrophobicContact CZ-CG 4.44Å; F202-T230 HydrophobicContact CE1-CG2 3.95Å; F202-T230 HydrophobicContact CZ-CG2 3.86Å; F202-P231 HydrophobicContact CB-CG 3.59Å; F202-P231 HydrophobicContact CD1-CG 3.84Å; F202-P231 HydrophobicContact CD2-CG 3.82Å; F202-P231 HydrophobicContact CG-CG 3.45Å; F202-P231 VanDerWaalsContact CG-CG 3.45Å |
| 203 | H | 91.9 | Very high | 88.7 | Confident | 88 Ų | 88 | 56.7 Ų | 56.7 | 41% | 0.407 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 139.1 | -177.9 | -51 | -44.4 | 0 | 0 | 0 | 109.3 | G187 D188 S190 | G187-H203 CarbonylContact C-O 3.46Å; G187-H203 WeakPolarHBondContact CA-O 3.36Å; D188-H203 PolarHBondContact N-O 2.98Å; D188-H203 PolarHBondContact O-N 3.12Å; S190-H203 PolarHBondContact OG-NE2 2.87Å |
| 204 | C | 90.4 | Very high | 89.2 | Confident | 38 Ų | 38 | 58.7 Ų | 58.7 | 26% | 0.257 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 151.9 | 176.8 | -62.6 | 0 | 0 | 0 | 0 | 112 | L210 C233 | C204-L210 WeakPolarHBondContact SG-CA 3.35Å; C204-L210 WeakPolarHBondContact SG-CD1 3.48Å; C204-L210 PolarHBondContact SG-N 3.36Å; C204-L210 VanDerWaalsContact SG-N 3.43Å; C204-C233 WeakPolarHBondContact CA-SG 3.46Å; C204-C233 HydrophobicContact CB-CB 3.75Å; C204-C233 WeakPolarHBondContact CB-SG 3.07Å; C204-C233 VanDerWaalsContact SG-CA 3.54Å; C204-C233 WeakPolarHBondContact SG-CB 3.21Å; C204-C233 CovalentContact SG-SG 2.04Å; C204-C233 PolarHBondContact SG-SG 3.22Å |
| 205 | D | 87.6 | Confident | 89.5 | Confident | 85 Ų | 85 | 58.8 Ų | 58.8 | 46% | 0.455 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 154.3 | 171 | -67.9 | -39.3 | 0 | 0 | 0 | 111.2 | H186 G187 G207 Y208 | H186-D205 VanDerWaalsContact CA-OD2 3.25Å; H186-D205 WeakPolarHBondContact CA-OD2 3.31Å; H186-D205 PolarHBondContact O-N 2.91Å; G187-D205 PolarHBondContact N-OD2 3.47Å; D205-G207 PolarHBondContact O-N 2.61Å; D205-Y208 HydrophobicContact CB-CD2 4.19Å; D205-Y208 PolarHBondContact O-N 2.87Å |
| 206 | S | 85.7 | Confident | 89.8 | Confident | 63 Ų | 63 | 54.1 Ų | 54.1 | 44% | 0.441 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 128 | -178 | 60.3 | 0 | 0 | 0 | 0 | 111.7 | R248 | S206-R248 WeakPolarHBondContact O-CD 3.42Å; S206-R248 WeakPolarHBondContact OG-CB 3.34Å; S206-R248 PolarHBondContact OG-NE 2.89Å |
| 207 | G | 84.3 | Confident | 90.1 | Very high | 22 Ų | 22 | 55.2 Ų | 55.2 | 23% | 0.227 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94.2 | -14.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | D205 R248 V250 | D205-G207 PolarHBondContact O-N 2.61Å; G207-R248 VanDerWaalsContact CA-O 3.25Å; G207-R248 WeakPolarHBondContact CA-O 3.34Å; G207-V250 VanDerWaalsContact O-CG2 3.32Å; G207-V250 WeakPolarHBondContact O-CG2 3.15Å |
| 208 | Y | 87.4 | Confident | 90.4 | Very high | 50 Ų | 50 | 52.6 Ų | 52.6 | 20% | 0.196 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 146.4 | 170.3 | -63.3 | -98.4 | 0 | 0 | 0 | 110.7 | H186 D205 A235 V250 | H186-Y208 HydrophobicContact CB-CD1 3.74Å; H186-Y208 HydrophobicContact CB-CD2 3.79Å; H186-Y208 HydrophobicContact CB-CE1 3.66Å; H186-Y208 HydrophobicContact CB-CE2 3.71Å; H186-Y208 HydrophobicContact CB-CG 3.82Å; H186-Y208 AromaticContact CD2-CE1 3.29Å; H186-Y208 WeakPolarHBondContact CD2-CE1 3.14Å; H186-Y208 AromaticContact CD2-CZ 3.6Å; H186-Y208 AromaticContact CG-CE1 3.51Å; H186-Y208 AromaticContact CG-CE2 3.95Å; H186-Y208 AromaticContact CG-CZ 3.42Å; H186-Y208 VanDerWaalsContact CG-CZ 3.42Å; H186-Y208 AromaticContact ND1-CZ 3.9Å; D205-Y208 HydrophobicContact CB-CD2 4.19Å; D205-Y208 PolarHBondContact O-N 2.87Å; Y208-A235 HydrophobicContact CD1-CB 4.2Å; Y208-A235 HydrophobicContact CE1-CB 4.14Å; Y208-V250 HydrophobicContact CD1-CG2 4.5Å; Y208-V250 HydrophobicContact CD2-CG2 4.01Å; Y208-V250 HydrophobicContact CE1-CG2 4.3Å; Y208-V250 HydrophobicContact CE2-CB 4.33Å; Y208-V250 HydrophobicContact CE2-CG1 4.03Å; Y208-V250 HydrophobicContact CE2-CG2 3.78Å; Y208-V250 HydrophobicContact CG-CG2 4.35Å |
| 209 | Q | 87.1 | Confident | 90.5 | Very high | 116 Ų | 116 | 56.4 Ų | 56.4 | 54% | 0.542 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 137.2 | 176.3 | -171.7 | 173.1 | 12.7 | 0 | 0 | 110.4 | M234 | Q209-M234 PolarHBondContact N-O 2.81Å; Q209-M234 PolarHBondContact O-N 2.8Å |
| 210 | L | 89.1 | Confident | 90.1 | Very high | 42 Ų | 42 | 61.6 Ų | 61.6 | 22% | 0.22 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 136.2 | 178.9 | -162.6 | 74 | 0 | 0 | 0 | 111.2 | F202 C204 E214 P231 | F202-L210 HydrophobicContact CB-CD1 4.09Å; F202-L210 HydrophobicContact CB-CD2 4.26Å; C204-L210 WeakPolarHBondContact SG-CA 3.35Å; C204-L210 WeakPolarHBondContact SG-CD1 3.48Å; C204-L210 PolarHBondContact SG-N 3.36Å; C204-L210 VanDerWaalsContact SG-N 3.43Å; L210-E214 HydrophobicContact CD2-CB 3.98Å; L210-E214 HydrophobicContact CD2-CG 4.13Å; L210-P231 HydrophobicContact CD1-CB 3.71Å; L210-P231 HydrophobicContact CD1-CG 3.75Å; L210-P231 HydrophobicContact CD2-CB 4.26Å; L210-P231 HydrophobicContact CD2-CG 4.23Å; L210-P231 HydrophobicContact CG-CB 3.87Å; L210-P231 HydrophobicContact CG-CG 4.21Å |
| 211 | Q | 90.1 | Very high | 89.6 | Confident | 90 Ų | 90 | 63.2 Ų | 63.2 | 42% | 0.421 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 97 | -176.4 | -66.3 | -76.5 | -11.5 | 0 | 0 | 108.5 | P231 S232 M234 | Q211-P231 WeakPolarHBondContact O-CA 3.32Å; Q211-P231 WeakPolarHBondContact O-CB 3.34Å; Q211-S232 PolarHBondContact N-O 2.84Å; Q211-S232 PolarHBondContact O-N 2.9Å; Q211-M234 HydrophobicContact CB-CE 4.06Å; Q211-M234 HydrophobicContact CG-CB 4.16Å; Q211-M234 HydrophobicContact CG-CE 3.61Å; Q211-M234 HydrophobicContact CG-CG 4.14Å |
| 212 | G | 88.4 | Confident | 88.8 | Confident | 62 Ų | 62 | 68.1 Ų | 68.1 | 64% | 0.639 | 38% | 0.384 | S | S | * | . | S | Bend | trans | 136.9 | -162.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 213 | E | 91.3 | Very high | 88.3 | Confident | 131 Ų | 131 | 77.3 Ų | 77.3 | 61% | 0.612 | 42% | 0.418 | S | S | * | . | trans | -78.8 | 130.5 | 175.9 | -70.5 | -69.5 | 174.4 | 0 | 0 | 111 | T215 L216 P231 | E213-T215 VanDerWaalsContact C-N 3.32Å; E213-T215 PolarHBondContact O-N 2.81Å; E213-L216 HydrophobicContact CB-CD2 4.05Å; E213-P231 WeakPolarHBondContact O-CG 3.28Å | ||
| 214 | E | 92.6 | Very high | 88 | Confident | 116 Ų | 116 | 74 Ų | 74 | 54% | 0.542 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -67.7 | -31.6 | 178.4 | -172.6 | -177.5 | 174.4 | 0 | 0 | 112.7 | T201 F202 L210 | T201-E214 CarbonylContact C-O 3.4Å; T201-E214 WeakPolarHBondContact CA-O 3.36Å; T201-E214 HydrophobicContact CG2-CG 4.18Å; F202-E214 PolarHBondContact N-O 2.57Å; L210-E214 HydrophobicContact CD2-CB 3.98Å; L210-E214 HydrophobicContact CD2-CG 4.13Å |
| 215 | T | 92.9 | Very high | 87.9 | Confident | 53 Ų | 53 | 75.2 Ų | 75.2 | 33% | 0.325 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 119.1 | -179.6 | -54.3 | 0 | 0 | 0 | 0 | 111 | T199 A200 E213 | T199-T215 HydrophobicContact CG2-CG2 4.28Å; A200-T215 CarbonylContact O-C 3.57Å; A200-T215 WeakPolarHBondContact O-CA 3.26Å; E213-T215 VanDerWaalsContact C-N 3.32Å; E213-T215 PolarHBondContact O-N 2.81Å |
| 216 | L | 93.3 | Very high | 88.1 | Confident | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.005 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 150.6 | 167.3 | -59.7 | -178.1 | 0 | 0 | 0 | 110.7 | T199 A200 F202 E213 W226 N227 T230 | T199-L216 CarbonylContact C-O 3.59Å; T199-L216 VanDerWaalsContact CA-O 3.29Å; T199-L216 WeakPolarHBondContact CA-O 3.37Å; A200-L216 PolarHBondContact N-O 2.88Å; A200-L216 PolarHBondContact O-N 2.79Å; F202-L216 HydrophobicContact CD2-CG 4.49Å; F202-L216 HydrophobicContact CE2-CB 4.12Å; F202-L216 HydrophobicContact CE2-CD1 3.71Å; F202-L216 HydrophobicContact CE2-CG 3.71Å; F202-L216 HydrophobicContact CZ-CD1 3.93Å; F202-L216 HydrophobicContact CZ-CG 4.44Å; E213-L216 HydrophobicContact CB-CD2 4.05Å; L216-W226 HydrophobicContact CB-CB 4.32Å; L216-W226 HydrophobicContact CB-CD2 4.35Å; L216-W226 HydrophobicContact CB-CE3 3.82Å; L216-W226 HydrophobicContact CD1-CB 4.18Å; L216-N227 WeakPolarHBondContact CA-OD1 3.46Å; L216-N227 WeakPolarHBondContact CB-OD1 3.21Å; L216-N227 WeakPolarHBondContact CD2-OD1 3.41Å; L216-T230 HydrophobicContact CD1-CG2 4.33Å |
| 217 | I | 92.6 | Very high | 88.4 | Confident | 74 Ų | 74 | 73.5 Ų | 73.5 | 38% | 0.379 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 131.9 | -177.4 | -51.3 | 179.3 | 0 | 0 | 0 | 109 | G198 T199 L219 W226 N227 | G198-I217 WeakPolarHBondContact O-CA 3.32Å; T199-I217 HydrophobicContact CG2-CG1 4.34Å; I217-L219 PolarHBondContact O-N 2.84Å; I217-W226 VanDerWaalsContact C-CE3 3.48Å; I217-N227 PolarHBondContact N-OD1 3.2Å; I217-N227 PolarHBondContact O-N 3.23Å; I217-N227 PolarHBondContact O-OD1 2.8Å |
| 218 | C | 91.9 | Very high | 88.6 | Confident | 2 Ų | 2 | 74.2 Ų | 74.2 | 1% | 0.014 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 114.9 | 177.2 | -177.8 | 0 | 0 | 0 | 0 | 110.4 | C178 L194 P196 G197 G198 W226 | C178-C218 HydrophobicContact CB-CB 3.92Å; C178-C218 WeakPolarHBondContact CB-SG 3.43Å; C178-C218 WeakPolarHBondContact SG-CA 3.43Å; C178-C218 WeakPolarHBondContact SG-CB 3.3Å; C178-C218 CovalentContact SG-SG 2.03Å; C178-C218 PolarHBondContact SG-SG 3.3Å; L194-C218 PolarHBondContact O-SG 2.89Å; L194-C218 VanDerWaalsContact O-SG 3.35Å; P196-C218 WeakPolarHBondContact CA-O 3.48Å; G197-C218 PolarHBondContact N-O 3.45Å; G198-C218 PolarHBondContact O-N 3.24Å; C218-W226 HydrophobicContact CB-CE3 4.19Å; C218-W226 HydrophobicContact CB-CH2 4.11Å; C218-W226 HydrophobicContact CB-CZ3 3.85Å |
| 219 | L | 90.6 | Very high | 88.8 | Confident | 86 Ų | 86 | 80.5 Ų | 80.5 | 45% | 0.45 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 141.3 | -177.4 | -61.5 | -178.2 | 0 | 0 | 0 | 112.1 | I217 P224 S225 N227 | I217-L219 PolarHBondContact O-N 2.84Å; L219-P224 WeakPolarHBondContact O-CA 3.07Å; L219-P224 WeakPolarHBondContact O-CB 3.45Å; L219-S225 WeakPolarHBondContact CB-O 3.45Å; L219-S225 PolarHBondContact N-O 2.89Å; L219-N227 HydrophobicContact CD1-CB 4.12Å; L219-N227 HydrophobicContact CD2-CB 3.99Å; L219-N227 HydrophobicContact CG-CB 4.02Å |
| 220 | N | 86.4 | Confident | 88.7 | Confident | 146 Ų | 146 | 78 Ų | 78 | 78% | 0.781 | 43% | 0.428 | S | S | * | . | trans | -76.2 | 125.1 | 176.3 | -166.2 | -6.6 | 0 | 0 | 0 | 111.3 | P196 | P196-N220 HydrophobicContact CB-CB 3.72Å; P196-N220 HydrophobicContact CG-CB 4.38Å | ||
| 221 | G | 79.7 | Confident | 88.9 | Confident | 33 Ų | 33 | 76.2 Ų | 76.2 | 34% | 0.34 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -174 | 175 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | R223 P224 | G221-R223 PolarHBondContact O-N 3.42Å; G221-P224 WeakPolarHBondContact O-CD 2.98Å |
| 222 | T | 77.8 | Confident | 88.9 | Confident | 131 Ų | 131 | 74.5 Ų | 74.5 | 80% | 0.804 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -66.8 | -17.1 | 177.4 | 51.3 | 0 | 0 | 0 | 0 | 113.6 | ||
| 223 | R | 82.9 | Confident | 88.9 | Confident | 194 Ų | 194 | 72 Ų | 72 | 73% | 0.732 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -137.6 | 100.9 | 161.5 | -66.1 | -179 | 179.8 | 179.2 | -2.8 | 106.3 | G221 | G221-R223 PolarHBondContact O-N 3.42Š|
| 224 | P | 84.9 | Confident | 88.7 | Confident | 18 Ų | 18 | 70.3 Ų | 70.3 | 12% | 0.117 | 38% | 0.383 | C | S | . | . | trans | -60.6 | 139.5 | 179.1 | -26.7 | 37.5 | 0 | 0 | 0 | 111.6 | C178 P196 L219 G221 | C178-P224 VanDerWaalsContact SG-C 3.59Å; P196-P224 HydrophobicContact CG-CB 4.3Å; P196-P224 HydrophobicContact CG-CG 4.04Å; L219-P224 WeakPolarHBondContact O-CA 3.07Å; L219-P224 WeakPolarHBondContact O-CB 3.45Å; G221-P224 WeakPolarHBondContact O-CD 2.98Å | ||
| 225 | S | 90 | Very high | 88.3 | Confident | 65 Ų | 65 | 65.7 Ų | 65.7 | 46% | 0.455 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 156.2 | 177.9 | 69.7 | 0 | 0 | 0 | 0 | 110.4 | C178 L219 | C178-S225 PolarHBondContact SG-N 2.86Å; C178-S225 VanDerWaalsContact SG-N 3.42Å; L219-S225 WeakPolarHBondContact CB-O 3.45Å; L219-S225 PolarHBondContact N-O 2.89Å |
| 226 | W | 91.1 | Very high | 87.8 | Confident | 37 Ų | 37 | 65.5 Ų | 65.5 | 14% | 0.14 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 153.5 | 168.9 | -59.8 | 106 | 0 | 0 | 0 | 110.8 | C178 G179 P181 V191 L194 A200 L216 I217 C218 G228 | C178-W226 HydrophobicContact CB-CD2 4.37Å; C178-W226 HydrophobicContact CB-CH2 4.49Å; C178-W226 HydrophobicContact CB-CZ2 3.8Å; G179-W226 PolarHBondContact O-NE1 3.2Å; P181-W226 HydrophobicContact CG-CZ2 4.34Å; V191-W226 HydrophobicContact CG1-CH2 4.35Å; L194-W226 HydrophobicContact CD2-CH2 4.44Å; L194-W226 HydrophobicContact CD2-CZ2 3.9Å; A200-W226 HydrophobicContact CB-CE3 4.25Å; A200-W226 HydrophobicContact CB-CH2 3.71Å; A200-W226 HydrophobicContact CB-CZ2 4.2Å; A200-W226 HydrophobicContact CB-CZ3 3.73Å; L216-W226 HydrophobicContact CB-CB 4.32Å; L216-W226 HydrophobicContact CB-CD2 4.35Å; L216-W226 HydrophobicContact CB-CE3 3.82Å; L216-W226 HydrophobicContact CD1-CB 4.18Å; I217-W226 VanDerWaalsContact C-CE3 3.48Å; C218-W226 HydrophobicContact CB-CE3 4.19Å; C218-W226 HydrophobicContact CB-CH2 4.11Å; C218-W226 HydrophobicContact CB-CZ3 3.85Å; W226-G228 VanDerWaalsContact C-N 3.27Å; W226-G228 PolarHBondContact O-N 2.8Å |
| 227 | N | 92.3 | Very high | 87.4 | Confident | 74 Ų | 74 | 68 Ų | 68 | 40% | 0.396 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -75.3 | -9.5 | -178.6 | 66.2 | -41 | 0 | 0 | 0 | 114.7 | L216 I217 L219 | L216-N227 WeakPolarHBondContact CA-OD1 3.46Å; L216-N227 WeakPolarHBondContact CB-OD1 3.21Å; L216-N227 WeakPolarHBondContact CD2-OD1 3.41Å; I217-N227 PolarHBondContact N-OD1 3.2Å; I217-N227 PolarHBondContact O-N 3.23Å; I217-N227 PolarHBondContact O-OD1 2.8Å; L219-N227 HydrophobicContact CD1-CB 4.12Å; L219-N227 HydrophobicContact CD2-CB 3.99Å; L219-N227 HydrophobicContact CG-CB 4.02Å |
| 228 | G | 88.8 | Confident | 87 | Confident | 37 Ų | 37 | 65.3 Ų | 65.3 | 38% | 0.381 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -157.7 | -179.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | W226 | W226-G228 VanDerWaalsContact C-N 3.27Å; W226-G228 PolarHBondContact O-N 2.8Å |
| 229 | E | 90.1 | Very high | 86.9 | Confident | 183 Ų | 183 | 67 Ų | 67 | 86% | 0.855 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -79.1 | 153.4 | 173 | -62 | -177.6 | 165.8 | 0 | 0 | 110.3 | ||
| 230 | T | 86.5 | Confident | 86.9 | Confident | 62 Ų | 62 | 66.6 Ų | 66.6 | 38% | 0.38 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 129.3 | 177.9 | 45.3 | 0 | 0 | 0 | 0 | 110.8 | P181 P182 F202 L216 | P181-T230 HydrophobicContact CB-CG2 4.17Å; P182-T230 HydrophobicContact CG-CG2 3.98Å; F202-T230 HydrophobicContact CE1-CG2 3.95Å; F202-T230 HydrophobicContact CZ-CG2 3.86Å; L216-T230 HydrophobicContact CD1-CG2 4.33Å |
| 231 | P | 92.3 | Very high | 87.2 | Confident | 6 Ų | 6 | 62.1 Ų | 62.1 | 4% | 0.039 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 156.4 | 178.6 | 30.6 | -38.6 | 0 | 0 | 0 | 111.6 | F202 L210 Q211 E213 | F202-P231 HydrophobicContact CB-CG 3.59Å; F202-P231 HydrophobicContact CD1-CG 3.84Å; F202-P231 HydrophobicContact CD2-CG 3.82Å; F202-P231 HydrophobicContact CG-CG 3.45Å; F202-P231 VanDerWaalsContact CG-CG 3.45Å; L210-P231 HydrophobicContact CD1-CB 3.71Å; L210-P231 HydrophobicContact CD1-CG 3.75Å; L210-P231 HydrophobicContact CD2-CB 4.26Å; L210-P231 HydrophobicContact CD2-CG 4.23Å; L210-P231 HydrophobicContact CG-CB 3.87Å; L210-P231 HydrophobicContact CG-CG 4.21Å; Q211-P231 WeakPolarHBondContact O-CA 3.32Å; Q211-P231 WeakPolarHBondContact O-CB 3.34Å; E213-P231 WeakPolarHBondContact O-CG 3.28Å |
| 232 | S | 90.3 | Very high | 87.8 | Confident | 53 Ų | 53 | 66.4 Ų | 66.4 | 37% | 0.371 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 152.3 | 171.1 | 61.5 | 0 | 0 | 0 | 0 | 111.4 | Q211 | Q211-S232 PolarHBondContact N-O 2.84Å; Q211-S232 PolarHBondContact O-N 2.9Å |
| 233 | C | 89.8 | Confident | 88.5 | Confident | 10 Ų | 10 | 66 Ų | 66 | 7% | 0.068 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 119.3 | 169.1 | -66.8 | 0 | 0 | 0 | 0 | 108.3 | A185 H186 C204 | A185-C233 WeakPolarHBondContact O-CB 3.41Å; H186-C233 WeakPolarHBondContact O-CB 3.08Å; C204-C233 WeakPolarHBondContact CA-SG 3.46Å; C204-C233 HydrophobicContact CB-CB 3.75Å; C204-C233 WeakPolarHBondContact CB-SG 3.07Å; C204-C233 VanDerWaalsContact SG-CA 3.54Å; C204-C233 WeakPolarHBondContact SG-CB 3.21Å; C204-C233 CovalentContact SG-SG 2.04Å; C204-C233 PolarHBondContact SG-SG 3.22Å |
| 234 | M | 85.3 | Confident | 88.9 | Confident | 96 Ų | 96 | 57 Ų | 57 | 47% | 0.473 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 136.7 | -177.3 | -60.2 | -154.6 | -70 | 0 | 0 | 111.3 | Q209 Q211 | Q209-M234 PolarHBondContact N-O 2.81Å; Q209-M234 PolarHBondContact O-N 2.8Å; Q211-M234 HydrophobicContact CB-CE 4.06Å; Q211-M234 HydrophobicContact CG-CB 4.16Å; Q211-M234 HydrophobicContact CG-CE 3.61Å; Q211-M234 HydrophobicContact CG-CG 4.14Å |
| 235 | A | 85.5 | Confident | 89.2 | Confident | 18 Ų | 18 | 60.5 Ų | 60.5 | 15% | 0.149 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 135.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y208 V250 P252 | Y208-A235 HydrophobicContact CD1-CB 4.2Å; Y208-A235 HydrophobicContact CE1-CB 4.14Å; A235-V250 HydrophobicContact CB-CB 4.32Å; A235-V250 HydrophobicContact CB-CG2 3.62Å; A235-P252 HydrophobicContact CB-CG 4.5Å |
| 236 | S | 82.8 | Confident | 89.3 | Confident | 49 Ų | 49 | 62.5 Ų | 62.5 | 34% | 0.343 | 37% | 0.365 | S | S | . | . | trans | -88.7 | 114.5 | 178.2 | 48.9 | 0 | 0 | 0 | 0 | 111.6 | G238 W266 | S236-G238 VanDerWaalsContact C-N 3.34Å; S236-G238 PolarHBondContact O-N 3.06Å; S236-W266 PolarHBondContact O-NE1 3.17Å | ||
| 237 | C | 82.9 | Confident | 89.3 | Confident | 53 Ų | 53 | 61.5 Ų | 61.5 | 36% | 0.358 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -73.5 | 84.5 | 176.2 | -175.6 | 0 | 0 | 0 | 0 | 111.4 | P252 L262 C264 | C237-P252 HydrophobicContact CB-CG 3.85Å; C237-L262 HydrophobicContact CB-CD1 4.5Å; C237-L262 VanDerWaalsContact SG-CD1 3.56Å; C237-C264 WeakPolarHBondContact CA-SG 3.36Å; C237-C264 HydrophobicContact CB-CB 4.08Å; C237-C264 WeakPolarHBondContact CB-SG 3.41Å; C237-C264 WeakPolarHBondContact SG-CA 3.36Å; C237-C264 WeakPolarHBondContact SG-CB 3.3Å; C237-C264 CovalentContact SG-SG 2.04Å; C237-C264 PolarHBondContact SG-SG 2.79Å |
| 238 | G | 84.9 | Confident | 89.2 | Confident | 18 Ų | 18 | 61.8 Ų | 61.8 | 19% | 0.186 | 36% | 0.362 | C | S | . | . | S | Bend | trans | 89.3 | 171.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115 | S236 R265 W266 | S236-G238 VanDerWaalsContact C-N 3.34Å; S236-G238 PolarHBondContact O-N 3.06Å; G238-R265 CarbonylContact C-O 3.59Å; G238-R265 WeakPolarHBondContact CA-O 3.15Å; G238-W266 VanDerWaalsContact CA-CD1 3.48Å; G238-W266 VanDerWaalsContact N-CE2 3.33Å; G238-W266 VanDerWaalsContact N-NE1 3.13Å |
| 239 | G | 89.3 | Confident | 89.4 | Confident | 39 Ų | 39 | 60.2 Ų | 60.2 | 40% | 0.402 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 148.8 | -178.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R265 W266 V267 | G239-R265 PolarHBondContact N-O 3.3Å; G239-W266 CarbonylContact O-C 3.55Å; G239-W266 WeakPolarHBondContact O-CA 3.02Å; G239-V267 PolarHBondContact O-N 2.92Å |
| 240 | T | 91.9 | Very high | 89.3 | Confident | 76 Ų | 76 | 51.7 Ų | 51.7 | 47% | 0.466 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 130 | 174 | -53.6 | 0 | 0 | 0 | 0 | 110.4 | H242 V267 | T240-H242 WeakPolarHBondContact CG2-CE1 3.48Å; T240-V267 CarbonylContact C-O 3.55Å; T240-V267 VanDerWaalsContact CA-O 3.32Å; T240-V267 WeakPolarHBondContact CA-O 3.4Å; T240-V267 HydrophobicContact CG2-CB 4.04Å; T240-V267 HydrophobicContact CG2-CG1 4.22Å |
| 241 | I | 92 | Very high | 89.2 | Confident | 52 Ų | 52 | 49.1 Ų | 49.1 | 27% | 0.267 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 95.1 | -177.9 | -53 | 179.5 | 0 | 0 | 0 | 107.9 | A244 I249 V267 E269 F344 | I241-A244 HydrophobicContact CG2-CB 4.22Å; I241-I249 HydrophobicContact CD1-CD1 4.3Å; I241-I249 HydrophobicContact CD1-CG1 4.2Å; I241-V267 PolarHBondContact N-O 2.79Å; I241-E269 PolarHBondContact O-N 2.93Å; I241-F344 HydrophobicContact CD1-CE1 3.6Å; I241-F344 HydrophobicContact CD1-CZ 3.64Å; I241-F344 HydrophobicContact CG2-CE2 4.3Å; I241-F344 HydrophobicContact CG2-CZ 3.93Å |
| 242 | H | 92.3 | Very high | 88.6 | Confident | 123 Ų | 123 | 49.8 Ų | 49.8 | 57% | 0.569 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 146.7 | 177.8 | -54.7 | -71.2 | 0 | 0 | 0 | 111.8 | T240 A244 E269 | T240-H242 WeakPolarHBondContact CG2-CE1 3.48Å; H242-A244 VanDerWaalsContact C-N 3.27Å; H242-A244 PolarHBondContact O-N 2.82Å; H242-E269 CarbonylContact C-O 3.5Å; H242-E269 IonicContact CE1-OE2 3.72Å; H242-E269 PolarHBondContact CE1-OE2 3.41Å; H242-E269 IonicContact CG-OE2 3.54Å; H242-E269 IonicContact ND1-OE2 2.75Å; H242-E269 PolarHBondContact ND1-OE2 2.91Å |
| 243 | N | 91.9 | Very high | 87.6 | Confident | 123 Ų | 123 | 53.1 Ų | 53.1 | 66% | 0.658 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 52.6 | 43.9 | -175.5 | -63 | -46.4 | 0 | 0 | 0 | 112.8 | E269 | N243-E269 CarbonylContact C-O 3.46Å; N243-E269 WeakPolarHBondContact CA-O 3.28Å; N243-E269 PolarHBondContact N-O 2.83Å |
| 244 | A | 91 | Very high | 86 | Confident | 5 Ų | 5 | 55.7 Ų | 55.7 | 4% | 0.041 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.6 | 136.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | I241 H242 I268 E269 L276 F344 A346 | I241-A244 HydrophobicContact CG2-CB 4.22Å; H242-A244 VanDerWaalsContact C-N 3.27Å; H242-A244 PolarHBondContact O-N 2.82Å; A244-I268 HydrophobicContact CB-CG2 3.53Å; A244-E269 PolarHBondContact N-O 3.31Å; A244-L276 HydrophobicContact CB-CD2 4.1Å; A244-F344 HydrophobicContact CB-CD2 4.26Å; A244-F344 HydrophobicContact CB-CE2 3.86Å; A244-A346 WeakPolarHBondContact O-CB 3.4Å |
| 245 | T | 92.2 | Very high | 84.5 | Confident | 91 Ų | 91 | 54.9 Ų | 54.9 | 56% | 0.558 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -132.2 | -55.8 | 179.1 | 48.6 | 0 | 0 | 0 | 0 | 110.9 | E345 A346 | T245-E345 CarbonylContact O-C 3.59Å; T245-E345 WeakPolarHBondContact O-CA 3.01Å; T245-A346 PolarHBondContact O-N 3.19Å |
| 246 | L | 92.3 | Very high | 82.9 | Confident | 107 Ų | 107 | 56.3 Ų | 56.3 | 56% | 0.56 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 142.1 | 169.9 | 175.9 | 65.1 | 0 | 0 | 0 | 108.3 | F344 E345 | L246-F344 CarbonylContact C-O 3.46Å; L246-F344 WeakPolarHBondContact CA-O 3.43Å; L246-E345 HydrophobicContact CD1-CB 4Å |
| 247 | G | 90.7 | Very high | 81.2 | Confident | 17 Ų | 17 | 59.4 Ų | 59.4 | 18% | 0.175 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.7 | -166.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | R343 F344 | G247-R343 WeakPolarHBondContact O-CA 3.4Å; G247-F344 VanDerWaalsContact C-CE1 3.44Å; G247-F344 VanDerWaalsContact CA-CZ 3.48Å; G247-F344 PolarHBondContact N-O 2.94Å; G247-F344 PolarHBondContact O-N 3.01Å |
| 248 | R | 91 | Very high | 79.8 | Confident | 79 Ų | 79 | 61 Ų | 61 | 30% | 0.298 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 147.4 | -179.8 | -171 | -172.9 | -66.5 | -136.7 | -5 | 110.6 | S206 G207 V250 E281 S341 L342 | S206-R248 WeakPolarHBondContact O-CD 3.42Å; S206-R248 WeakPolarHBondContact OG-CB 3.34Å; S206-R248 PolarHBondContact OG-NE 2.89Å; G207-R248 VanDerWaalsContact CA-O 3.25Å; G207-R248 WeakPolarHBondContact CA-O 3.34Å; R248-V250 HydrophobicContact CG-CG1 4.23Å; R248-E281 VanDerWaalsContact CZ-CD 3.41Å; R248-E281 IonicContact CZ-OE1 3.65Å; R248-E281 IonicContact CZ-OE2 3.17Å; R248-E281 IonicContact NE-OE1 2.78Å; R248-E281 IonicContact NE-OE2 3.61Å; R248-E281 PolarHBondContact NE-OE2 2.9Å; R248-E281 IonicContact NH1-OE1 3.7Å; R248-E281 IonicContact NH1-OE2 3.79Å; R248-E281 PolarHBondContact NH1-OE2 2.86Å; R248-E281 VanDerWaalsContact NH2-CD 3.34Å; R248-E281 IonicContact NH2-OE1 3.79Å; R248-E281 PolarHBondContact NH2-OE1 2.84Å; R248-E281 IonicContact NH2-OE2 2.68Å; R248-E281 PolarHBondContact NH2-OE2 2.74Å; R248-S341 WeakPolarHBondContact CD-OG 3.33Å; R248-S341 PolarHBondContact NH1-OG 2.77Å; R248-S341 VanDerWaalsContact NH1-OG 3.12Å; R248-L342 CarbonylContact C-O 3.59Å; R248-L342 VanDerWaalsContact CA-O 3.24Å; R248-L342 WeakPolarHBondContact CA-O 3.42Å; R248-L342 WeakPolarHBondContact CG-O 3.49Å |
| 249 | I | 91.8 | Very high | 78.4 | Confident | 4 Ų | 4 | 62.5 Ų | 62.5 | 2% | 0.021 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 135.8 | 168.9 | -73.2 | 162.6 | 0 | 0 | 0 | 108 | I241 W266 I268 L342 F344 | I241-I249 HydrophobicContact CD1-CD1 4.3Å; I241-I249 HydrophobicContact CD1-CG1 4.2Å; I249-W266 HydrophobicContact CD1-CB 3.74Å; I249-W266 HydrophobicContact CD1-CG 3.93Å; I249-W266 HydrophobicContact CG1-CG 4.2Å; I249-W266 HydrophobicContact CG2-CD2 3.48Å; I249-W266 VanDerWaalsContact CG2-CD2 3.48Å; I249-W266 HydrophobicContact CG2-CE3 3.88Å; I249-W266 HydrophobicContact CG2-CG 3.9Å; I249-W266 HydrophobicContact CG2-CH2 3.97Å; I249-W266 HydrophobicContact CG2-CZ2 3.63Å; I249-W266 HydrophobicContact CG2-CZ3 4.1Å; I249-I268 HydrophobicContact CD1-CD1 3.63Å; I249-I268 HydrophobicContact CD1-CG1 3.9Å; I249-L342 HydrophobicContact CB-CB 4.47Å; I249-L342 PolarHBondContact N-O 3.45Å; I249-L342 PolarHBondContact O-N 3.35Å; I249-F344 HydrophobicContact CD1-CD1 4.22Å; I249-F344 HydrophobicContact CD1-CE1 4.4Å; I249-F344 HydrophobicContact CG1-CD1 4.25Å; I249-F344 HydrophobicContact CG1-CE1 4.16Å |
| 250 | V | 88.7 | Confident | 77 | Confident | 5 Ų | 5 | 65.1 Ų | 65.1 | 3% | 0.03 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 147.5 | 179.6 | -78.1 | 0 | 0 | 0 | 0 | 111.5 | G207 Y208 A235 R248 L340 | G207-V250 VanDerWaalsContact O-CG2 3.32Å; G207-V250 WeakPolarHBondContact O-CG2 3.15Å; Y208-V250 HydrophobicContact CD1-CG2 4.5Å; Y208-V250 HydrophobicContact CD2-CG2 4.01Å; Y208-V250 HydrophobicContact CE1-CG2 4.3Å; Y208-V250 HydrophobicContact CE2-CB 4.33Å; Y208-V250 HydrophobicContact CE2-CG1 4.03Å; Y208-V250 HydrophobicContact CE2-CG2 3.78Å; Y208-V250 HydrophobicContact CG-CG2 4.35Å; A235-V250 HydrophobicContact CB-CB 4.32Å; A235-V250 HydrophobicContact CB-CG2 3.62Å; R248-V250 HydrophobicContact CG-CG1 4.23Å; V250-L340 VanDerWaalsContact CA-O 3.26Å; V250-L340 WeakPolarHBondContact CA-O 3.39Å |
| 251 | S | 85.4 | Confident | 76 | Confident | 7 Ų | 7 | 65.5 Ų | 65.5 | 5% | 0.049 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 147.2 | 170.6 | 57.5 | 0 | 0 | 0 | 0 | 111.8 | L338 L340 | S251-L338 PolarHBondContact OG-O 3.32Å; S251-L340 PolarHBondContact N-O 3.37Å; S251-L340 VanDerWaalsContact N-O 3.09Å; S251-L340 PolarHBondContact OG-N 3.23Å |
| 252 | P | 79.8 | Confident | 75.3 | Confident | 21 Ų | 21 | 63.9 Ų | 63.9 | 14% | 0.136 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 149.8 | 165.4 | -20.6 | 31.7 | 0 | 0 | 0 | 112.9 | A235 C237 L262 | A235-P252 HydrophobicContact CB-CG 4.5Å; C237-P252 HydrophobicContact CB-CG 3.85Å; P252-L262 HydrophobicContact CG-CD1 4.45Å |
| 253 | E | 69.2 | Low | 75 | Confident | 122 Ų | 122 | 61.1 Ų | 61.1 | 57% | 0.57 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -77.1 | 142.4 | 176.7 | -64.8 | -179.1 | 177.2 | 0 | 0 | 112.1 | H186 G255 G256 | H186-E253 IonicContact CD2-OE1 2.75Å; H186-E253 IonicContact CE1-OE1 3.01Å; H186-E253 IonicContact NE2-OE1 3.47Å; H186-E253 PolarHBondContact NE2-OE1 2.81Å; E253-G255 PolarHBondContact O-N 2.04Å; E253-G256 PolarHBondContact O-N 3.34Å |
| 254 | P | 54.9 | Low | 74.8 | Confident | 65 Ų | 65 | 55.3 Ų | 55.3 | 42% | 0.422 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 110.7 | 176 | -24.8 | 34.8 | 0 | 0 | 0 | 112.8 | P334 | P254-P334 HydrophobicContact CB-CB 4.14Š|
| 255 | G | 53.5 | Low | 74.9 | Confident | 79 Ų | 79 | 61 Ų | 61 | 81% | 0.814 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 127.8 | -18.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | E253 A257 | E253-G255 PolarHBondContact O-N 2.04Å; G255-A257 PolarHBondContact O-N 3.26Å |
| 256 | G | 53.1 | Low | 75 | Confident | 47 Ų | 47 | 57 Ų | 57 | 49% | 0.485 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -77 | 83.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.9 | E253 V258 | E253-G256 PolarHBondContact O-N 3.34Å; G256-V258 PolarHBondContact O-N 2.81Å |
| 257 | A | 45.9 | Very low | 75.1 | Confident | 114 Ų | 114 | 52.8 Ų | 52.8 | 94% | 0.942 | 34% | 0.34 | S | S | * | . | S | Bend | trans | 54.8 | -0.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | G255 | G255-A257 PolarHBondContact O-N 3.26Š|
| 258 | V | 53.6 | Low | 75.3 | Confident | 87 Ų | 87 | 52 Ų | 52 | 53% | 0.527 | 33% | 0.332 | S | S | . | . | trans | -92.8 | 155.9 | 178.2 | 179.9 | 0 | 0 | 0 | 0 | 110.9 | G256 L262 | G256-V258 PolarHBondContact O-N 2.81Å; V258-L262 HydrophobicContact CG1-CD1 3.78Å | ||
| 259 | G | 55.2 | Low | 75.5 | Confident | 49 Ų | 49 | 51.4 Ų | 51.4 | 51% | 0.505 | 33% | 0.333 | S | S | . | . | trans | -69.4 | 179.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | N261 | G259-N261 PolarHBondContact O-N 3.48Š| ||
| 260 | P | 59.8 | Low | 75.6 | Confident | 94 Ų | 94 | 51.5 Ų | 51.5 | 61% | 0.61 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -65.4 | -20.6 | -173.7 | 26.6 | -35.5 | 0 | 0 | 0 | 114.7 | ||
| 261 | N | 71 | Confident | 75.8 | Confident | 84 Ų | 84 | 53.1 Ų | 53.1 | 45% | 0.449 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -115.3 | 128.9 | 176.1 | -57.8 | 74.1 | 0 | 0 | 0 | 109 | G259 S331 | G259-N261 PolarHBondContact O-N 3.48Å; N261-S331 CarbonylContact C-O 3.58Å; N261-S331 WeakPolarHBondContact CA-O 3.45Å |
| 262 | L | 77.9 | Confident | 76 | Confident | 18 Ų | 18 | 61.4 Ų | 61.4 | 9% | 0.094 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 142.8 | 175.3 | -170 | 71.1 | 0 | 0 | 0 | 110 | C237 P252 V258 S331 L338 | C237-L262 HydrophobicContact CB-CD1 4.5Å; C237-L262 VanDerWaalsContact SG-CD1 3.56Å; P252-L262 HydrophobicContact CG-CD1 4.45Å; V258-L262 HydrophobicContact CG1-CD1 3.78Å; L262-S331 PolarHBondContact N-O 2.79Å; L262-S331 PolarHBondContact O-N 2.03Å; L262-S331 VanDerWaalsContact O-N 3.14Å; L262-L338 HydrophobicContact CD2-CD2 3.45Å; L262-L338 VanDerWaalsContact CD2-CD2 3.45Å |
| 263 | T | 86.3 | Confident | 76.2 | Confident | 66 Ų | 66 | 62.7 Ų | 62.7 | 41% | 0.405 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 98 | 173.5 | -64.8 | 0 | 0 | 0 | 0 | 108.7 | L329 L330 | T263-L329 CarbonylContact C-O 3.58Å; T263-L329 WeakPolarHBondContact CA-O 3.45Å; T263-L330 HydrophobicContact CG2-CD2 3.74Å |
| 264 | C | 88.6 | Confident | 77.3 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 137.2 | 179.8 | -52.4 | 0 | 0 | 0 | 0 | 110.2 | C237 W266 E328 L329 | C237-C264 WeakPolarHBondContact CA-SG 3.36Å; C237-C264 HydrophobicContact CB-CB 4.08Å; C237-C264 WeakPolarHBondContact CB-SG 3.41Å; C237-C264 WeakPolarHBondContact SG-CA 3.36Å; C237-C264 WeakPolarHBondContact SG-CB 3.3Å; C237-C264 CovalentContact SG-SG 2.04Å; C237-C264 PolarHBondContact SG-SG 2.79Å; C264-W266 HydrophobicContact CB-CD2 4.47Å; C264-W266 HydrophobicContact CB-CE3 4.11Å; C264-W266 HydrophobicContact CB-CH2 3.19Å; C264-W266 HydrophobicContact CB-CZ2 3.57Å; C264-W266 HydrophobicContact CB-CZ3 3.48Å; C264-W266 VanDerWaalsContact CB-CZ3 3.48Å; C264-E328 WeakPolarHBondContact O-CA 3.4Å; C264-L329 HydrophobicContact CB-CB 4.45Å; C264-L329 PolarHBondContact N-O 2.84Å; C264-L329 PolarHBondContact O-N 2.8Å |
| 265 | R | 92.4 | Very high | 79.1 | Confident | 126 Ų | 126 | 60.8 Ų | 60.8 | 48% | 0.475 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 108.6 | -175.1 | -71.7 | 175.7 | 170 | 124.3 | 8.1 | 110.1 | G238 G239 Y326 V327 E328 | G238-R265 CarbonylContact C-O 3.59Å; G238-R265 WeakPolarHBondContact CA-O 3.15Å; G239-R265 PolarHBondContact N-O 3.3Å; R265-Y326 VanDerWaalsContact CD-OH 3.31Å; R265-Y326 WeakPolarHBondContact CD-OH 3.12Å; R265-Y326 PolarHBondContact NE-OH 3.02Å; R265-V327 CarbonylContact C-O 3.55Å; R265-V327 WeakPolarHBondContact CA-O 3.39Å; R265-E328 HydrophobicContact CG-CG 4.19Å; R265-E328 IonicContact CZ-OE1 3.73Å; R265-E328 IonicContact NE-OE1 3.4Å; R265-E328 PolarHBondContact NE-OE1 3.05Å; R265-E328 IonicContact NH2-OE1 2.66Å; R265-E328 PolarHBondContact NH2-OE1 3.48Å |
| 266 | W | 94.1 | Very high | 81 | Confident | 6 Ų | 6 | 57 Ų | 57 | 2% | 0.023 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 135.6 | 179.1 | -57.4 | -92.2 | 0 | 0 | 0 | 110.5 | S236 G238 G239 I249 C264 V327 L329 L340 | S236-W266 PolarHBondContact O-NE1 3.17Å; G238-W266 VanDerWaalsContact CA-CD1 3.48Å; G238-W266 VanDerWaalsContact N-CE2 3.33Å; G238-W266 VanDerWaalsContact N-NE1 3.13Å; G239-W266 CarbonylContact O-C 3.55Å; G239-W266 WeakPolarHBondContact O-CA 3.02Å; I249-W266 HydrophobicContact CD1-CB 3.74Å; I249-W266 HydrophobicContact CD1-CG 3.93Å; I249-W266 HydrophobicContact CG1-CG 4.2Å; I249-W266 HydrophobicContact CG2-CD2 3.48Å; I249-W266 VanDerWaalsContact CG2-CD2 3.48Å; I249-W266 HydrophobicContact CG2-CE3 3.88Å; I249-W266 HydrophobicContact CG2-CG 3.9Å; I249-W266 HydrophobicContact CG2-CH2 3.97Å; I249-W266 HydrophobicContact CG2-CZ2 3.63Å; I249-W266 HydrophobicContact CG2-CZ3 4.1Å; C264-W266 HydrophobicContact CB-CD2 4.47Å; C264-W266 HydrophobicContact CB-CE3 4.11Å; C264-W266 HydrophobicContact CB-CH2 3.19Å; C264-W266 HydrophobicContact CB-CZ2 3.57Å; C264-W266 HydrophobicContact CB-CZ3 3.48Å; C264-W266 VanDerWaalsContact CB-CZ3 3.48Å; W266-V327 HydrophobicContact CB-CB 4.48Å; W266-V327 HydrophobicContact CE3-CB 4.37Å; W266-V327 HydrophobicContact CE3-CG1 4.1Å; W266-V327 PolarHBondContact N-O 3.21Å; W266-V327 PolarHBondContact O-N 3.26Å; W266-L329 HydrophobicContact CH2-CB 4.39Å; W266-L329 HydrophobicContact CH2-CD2 4.39Å; W266-L329 HydrophobicContact CZ3-CB 3.91Å; W266-L340 HydrophobicContact CH2-CD2 4.49Å; W266-L340 HydrophobicContact CZ3-CD2 4.34Å |
| 267 | V | 94.7 | Very high | 82.8 | Confident | 19 Ų | 19 | 54.9 Ų | 54.9 | 12% | 0.115 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 120.9 | 171.3 | -178.3 | 0 | 0 | 0 | 0 | 108.2 | G239 T240 I241 E269 L325 Y326 | G239-V267 PolarHBondContact O-N 2.92Å; T240-V267 CarbonylContact C-O 3.55Å; T240-V267 VanDerWaalsContact CA-O 3.32Å; T240-V267 WeakPolarHBondContact CA-O 3.4Å; T240-V267 HydrophobicContact CG2-CB 4.04Å; T240-V267 HydrophobicContact CG2-CG1 4.22Å; I241-V267 PolarHBondContact N-O 2.79Å; V267-E269 HydrophobicContact CG1-CG 4.03Å; V267-L325 WeakPolarHBondContact CA-O 3.48Å; V267-Y326 HydrophobicContact CG2-CD2 3.79Å; V267-Y326 HydrophobicContact CG2-CE2 4.39Å |
| 268 | I | 95.1 | Very high | 85 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 128.2 | 179.3 | -44.6 | 173.8 | 0 | 0 | 0 | 107 | A244 I249 L276 L278 S324 L325 F344 | A244-I268 HydrophobicContact CB-CG2 3.53Å; I249-I268 HydrophobicContact CD1-CD1 3.63Å; I249-I268 HydrophobicContact CD1-CG1 3.9Å; I268-L276 HydrophobicContact CB-CD1 3.88Å; I268-L276 HydrophobicContact CG2-CD1 3.7Å; I268-L276 HydrophobicContact CG2-CD2 3.82Å; I268-L276 HydrophobicContact CG2-CG 4.43Å; I268-L278 HydrophobicContact CD1-CD2 3.91Å; I268-S324 CarbonylContact O-C 3.59Å; I268-S324 WeakPolarHBondContact O-CA 3.35Å; I268-S324 WeakPolarHBondContact O-CB 2.99Å; I268-L325 HydrophobicContact CB-CB 4.43Å; I268-L325 PolarHBondContact N-O 2.75Å; I268-L325 PolarHBondContact O-N 3.27Å; I268-F344 HydrophobicContact CD1-CB 4.08Å; I268-F344 HydrophobicContact CD1-CD1 4.14Å; I268-F344 HydrophobicContact CD1-CG 4.1Å; I268-F344 HydrophobicContact CG2-CD2 3.98Å; I268-F344 HydrophobicContact CG2-CE2 4.2Å; I268-F344 HydrophobicContact CG2-CG 4.34Å |
| 269 | E | 94.7 | Very high | 86.7 | Confident | 67 Ų | 67 | 46.7 Ų | 46.7 | 31% | 0.313 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 111.8 | 179.9 | -57.5 | -174.7 | 151.4 | 0 | 0 | 109.9 | I241 H242 N243 A244 V267 | I241-E269 PolarHBondContact O-N 2.93Å; H242-E269 CarbonylContact C-O 3.5Å; H242-E269 IonicContact CE1-OE2 3.72Å; H242-E269 PolarHBondContact CE1-OE2 3.41Å; H242-E269 IonicContact CG-OE2 3.54Å; H242-E269 IonicContact ND1-OE2 2.75Å; H242-E269 PolarHBondContact ND1-OE2 2.91Å; N243-E269 CarbonylContact C-O 3.46Å; N243-E269 WeakPolarHBondContact CA-O 3.28Å; N243-E269 PolarHBondContact N-O 2.83Å; A244-E269 PolarHBondContact N-O 3.31Å; V267-E269 HydrophobicContact CG1-CG 4.03Å |
| 270 | A | 94.6 | Very high | 88.2 | Confident | 6 Ų | 6 | 45.5 Ų | 45.5 | 5% | 0.05 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 170.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | R274 L276 Q323 A346 | A270-R274 HydrophobicContact CB-CB 4Å; A270-L276 HydrophobicContact CB-CD2 4.06Å; A270-L276 HydrophobicContact CB-CG 4.09Å; A270-Q323 PolarHBondContact N-O 2.78Å; A270-A346 HydrophobicContact CB-CB 3.79Å |
| 271 | A | 92.4 | Very high | 89.2 | Confident | 39 Ų | 39 | 43 Ų | 43 | 32% | 0.322 | 22% | 0.218 | S | C | . | . | P | Polyproline II helix | trans | -67.5 | 157.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | R274 | A271-R274 WeakPolarHBondContact O-CB 3.31Å; A271-R274 PolarHBondContact O-N 2.71Å |
| 272 | E | 88.5 | Confident | 89.6 | Confident | 181 Ų | 181 | 43.6 Ų | 43.6 | 85% | 0.846 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 136.2 | 178.4 | -171.5 | 174.6 | -172.2 | 0 | 0 | 111.7 | ||
| 273 | G | 85.8 | Confident | 89.7 | Confident | 48 Ų | 48 | 45.1 Ų | 45.1 | 50% | 0.495 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | 13.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 274 | R | 91.3 | Very high | 89.4 | Confident | 78 Ų | 78 | 44.4 Ų | 44.4 | 29% | 0.294 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 149.1 | 175.9 | -64.7 | -171.4 | 172.1 | -155.9 | -5.2 | 112.7 | A270 A271 Q323 A346 F347 E348 | A270-R274 HydrophobicContact CB-CB 4Å; A271-R274 WeakPolarHBondContact O-CB 3.31Å; A271-R274 PolarHBondContact O-N 2.71Å; R274-Q323 VanDerWaalsContact O-CA 3.29Å; R274-Q323 WeakPolarHBondContact O-CA 3.08Å; R274-A346 PolarHBondContact NH1-O 2.74Å; R274-F347 CarbonylContact C-O 3.55Å; R274-F347 WeakPolarHBondContact CA-O 3.41Å; R274-F347 WeakPolarHBondContact CB-O 3.42Å; R274-E348 HydrophobicContact CG-CG 3.94Å; R274-E348 IonicContact CZ-OE1 3.81Å; R274-E348 IonicContact NE-OE1 3.27Å; R274-E348 IonicContact NH2-OE1 3.58Å; R274-E348 PolarHBondContact NH2-OE1 3Å |
| 275 | R | 91.9 | Very high | 88.9 | Confident | 69 Ų | 69 | 46.3 Ų | 46.3 | 26% | 0.26 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 162.6 | 168.7 | -66.3 | -179 | -172 | -171.4 | 7 | 109.8 | S320 A346 F347 E349 | R275-S320 VanDerWaalsContact CD-O 3.31Å; R275-S320 WeakPolarHBondContact CD-O 3.32Å; R275-S320 WeakPolarHBondContact CG-O 3.43Å; R275-A346 CarbonylContact O-C 3.33Å; R275-A346 VanDerWaalsContact O-CA 3.28Å; R275-A346 WeakPolarHBondContact O-CA 3.42Å; R275-F347 HydrophobicContact CB-CD1 4.46Å; R275-F347 HydrophobicContact CB-CE1 3.89Å; R275-F347 HydrophobicContact CB-CE2 4.46Å; R275-F347 HydrophobicContact CB-CZ 3.89Å; R275-F347 PolarHBondContact N-O 2.66Å; R275-F347 PolarHBondContact O-N 3.32Å; R275-E349 HydrophobicContact CG-CG 4.21Å; R275-E349 IonicContact CZ-OE1 3.23Å; R275-E349 IonicContact NE-OE1 3.09Å; R275-E349 PolarHBondContact NE-OE1 2.82Å; R275-E349 IonicContact NH2-OE1 3.87Å; R275-E349 PolarHBondContact NH2-OE1 2.9Å |
| 276 | L | 93.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 133.2 | 175.9 | -70.1 | 162.5 | 0 | 0 | 0 | 109.7 | A244 I268 A270 I319 S320 L325 E345 A346 | A244-L276 HydrophobicContact CB-CD2 4.1Å; I268-L276 HydrophobicContact CB-CD1 3.88Å; I268-L276 HydrophobicContact CG2-CD1 3.7Å; I268-L276 HydrophobicContact CG2-CD2 3.82Å; I268-L276 HydrophobicContact CG2-CG 4.43Å; A270-L276 HydrophobicContact CB-CD2 4.06Å; A270-L276 HydrophobicContact CB-CG 4.09Å; L276-I319 WeakPolarHBondContact O-CA 3.35Å; L276-S320 PolarHBondContact N-OG 2.8Å; L276-S320 PolarHBondContact O-N 2.93Å; L276-S320 PolarHBondContact O-OG 3.36Å; L276-L325 HydrophobicContact CB-CD1 3.58Å; L276-L325 HydrophobicContact CB-CG 4.17Å; L276-L325 HydrophobicContact CD1-CB 4.17Å; L276-L325 HydrophobicContact CD1-CD1 4.08Å; L276-L325 HydrophobicContact CD1-CG 4Å; L276-L325 HydrophobicContact CG-CD1 4.48Å; L276-E345 CarbonylContact C-O 3.47Å; L276-E345 VanDerWaalsContact CA-O 3.32Å; L276-E345 WeakPolarHBondContact CA-O 3.38Å; L276-A346 HydrophobicContact CD2-CB 3.86Å |
| 277 | H | 92.3 | Very high | 87.3 | Confident | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.009 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 137.9 | 163 | -179.1 | -114.1 | 0 | 0 | 0 | 109.3 | R316 L318 F344 E345 F347 F353 | H277-R316 PolarHBondContact NE2-O 2.9Å; H277-L318 CarbonylContact C-O 3.57Å; H277-L318 WeakPolarHBondContact CA-O 3.26Å; H277-L318 PolarHBondContact CD2-O 2.04Å; H277-L318 VanDerWaalsContact CD2-O 3.31Å; H277-F344 VanDerWaalsContact O-CA 3.3Å; H277-F344 WeakPolarHBondContact O-CA 3.29Å; H277-E345 HydrophobicContact CB-CG 4.12Å; H277-E345 PolarHBondContact N-O 3.35Å; H277-E345 PolarHBondContact O-N 3.11Å; H277-F347 HydrophobicContact CB-CD1 4.31Å; H277-F347 HydrophobicContact CB-CE1 3.99Å; H277-F353 HydrophobicContact CB-CB 4.13Å; H277-F353 HydrophobicContact CB-CD1 4.48Å; H277-F353 HydrophobicContact CB-CD2 4.43Å; H277-F353 HydrophobicContact CB-CG 4.11Å; H277-F353 AromaticContact CD2-CD1 3.99Å; H277-F353 AromaticContact CD2-CE1 3.83Å; H277-F353 AromaticContact CD2-CZ 3.85Å; H277-F353 AromaticContact CE1-CD2 3.73Å; H277-F353 AromaticContact CE1-CE2 3.32Å; H277-F353 WeakPolarHBondContact CE1-CE2 3.43Å; H277-F353 AromaticContact CE1-CZ 3.7Å; H277-F353 AromaticContact CG-CD2 3.86Å; H277-F353 AromaticContact CG-CG 3.9Å; H277-F353 AromaticContact ND1-CD2 3.61Å; H277-F353 AromaticContact ND1-CE2 3.72Å; H277-F353 AromaticContact NE2-CE1 3.85Å; H277-F353 AromaticContact NE2-CE2 3.55Å; H277-F353 AromaticContact NE2-CZ 3.4Å; H277-F353 WeakPolarHBondContact NE2-CZ 3.48Å |
| 278 | L | 91.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 121.7 | 168.7 | -73.3 | 178.2 | 0 | 0 | 0 | 109.5 | I268 V294 G317 L318 L325 V327 R343 F344 | I268-L278 HydrophobicContact CD1-CD2 3.91Å; L278-V294 HydrophobicContact CD1-CG1 3.75Å; L278-V294 HydrophobicContact CD1-CG2 4.31Å; L278-G317 CarbonylContact O-C 3.54Å; L278-G317 WeakPolarHBondContact O-CA 3.37Å; L278-L318 HydrophobicContact CB-CB 4.39Å; L278-L318 PolarHBondContact N-O 2.85Å; L278-L318 PolarHBondContact O-N 2.04Å; L278-L325 HydrophobicContact CD1-CD1 3.73Å; L278-L325 HydrophobicContact CD2-CD1 4.32Å; L278-L325 HydrophobicContact CG-CD1 3.64Å; L278-V327 HydrophobicContact CD1-CG2 4.1Å; L278-R343 WeakPolarHBondContact CA-O 3.39Å; L278-F344 HydrophobicContact CD2-CB 3.68Å |
| 279 | H | 88.9 | Confident | 85.7 | Confident | 29 Ų | 29 | 60.2 Ų | 60.2 | 13% | 0.134 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 128.6 | 173.5 | -179.2 | 89.6 | 0 | 0 | 0 | 110.1 | E281 R343 F356 | H279-E281 PolarHBondContact O-N 2.97Å; H279-R343 HydrophobicContact CB-CB 4.36Å; H279-R343 PolarHBondContact N-O 3.07Å; H279-R343 PolarHBondContact O-N 2.97Å; H279-F356 AromaticContact CD2-CD1 3.67Å; H279-F356 AromaticContact NE2-CD1 3.54Å |
| 280 | F | 87 | Confident | 85.3 | Confident | 24 Ų | 24 | 57.4 Ų | 57.4 | 11% | 0.105 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 96.7 | -176.4 | -65 | -100.2 | 0 | 0 | 0 | 110.1 | V283 L292 Y306 V313 P314 L318 L342 | F280-V283 HydrophobicContact CB-CG2 4.02Å; F280-V283 HydrophobicContact CD1-CG2 3.65Å; F280-V283 HydrophobicContact CG-CG2 4.3Å; F280-L292 HydrophobicContact CE1-CD2 3.97Å; F280-Y306 HydrophobicContact CE1-CE1 4.42Å; F280-Y306 HydrophobicContact CZ-CD1 4.32Å; F280-V313 HydrophobicContact CB-CG1 3.7Å; F280-V313 HydrophobicContact CD1-CG1 3.73Å; F280-V313 HydrophobicContact CD2-CG1 4.19Å; F280-V313 HydrophobicContact CE1-CG1 4.36Å; F280-V313 HydrophobicContact CG-CG1 3.62Å; F280-P314 HydrophobicContact CD2-CG 4.24Å; F280-P314 HydrophobicContact CE2-CG 3.68Å; F280-P314 HydrophobicContact CZ-CG 4.25Å; F280-L318 HydrophobicContact CE2-CD1 3.88Å; F280-L318 HydrophobicContact CE2-CG 3.95Å; F280-L318 HydrophobicContact CZ-CD1 3.66Å; F280-L318 HydrophobicContact CZ-CG 4.24Å; F280-L342 HydrophobicContact CB-CD2 4.33Å; F280-L342 HydrophobicContact CD1-CD2 3.22Å; F280-L342 HydrophobicContact CE1-CD2 3.62Å; F280-L342 HydrophobicContact CG-CD2 3.82Å; F280-L342 HydrophobicContact CZ-CD2 4.45Å |
| 281 | E | 81.1 | Confident | 85 | Confident | 42 Ų | 42 | 60.5 Ų | 60.5 | 20% | 0.196 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | -37.3 | -176.7 | -56.7 | 170.5 | 128 | 0 | 0 | 112.3 | R248 H279 S341 R343 F356 | R248-E281 VanDerWaalsContact CZ-CD 3.41Å; R248-E281 IonicContact CZ-OE1 3.65Å; R248-E281 IonicContact CZ-OE2 3.17Å; R248-E281 IonicContact NE-OE1 2.78Å; R248-E281 IonicContact NE-OE2 3.61Å; R248-E281 PolarHBondContact NE-OE2 2.9Å; R248-E281 IonicContact NH1-OE1 3.7Å; R248-E281 IonicContact NH1-OE2 3.79Å; R248-E281 PolarHBondContact NH1-OE2 2.86Å; R248-E281 VanDerWaalsContact NH2-CD 3.34Å; R248-E281 IonicContact NH2-OE1 3.79Å; R248-E281 PolarHBondContact NH2-OE1 2.84Å; R248-E281 IonicContact NH2-OE2 2.68Å; R248-E281 PolarHBondContact NH2-OE2 2.74Å; H279-E281 PolarHBondContact O-N 2.97Å; E281-S341 PolarHBondContact N-O 2.85Å; E281-S341 PolarHBondContact OE2-OG 3.15Å; E281-R343 HydrophobicContact CG-CB 4Å; E281-F356 HydrophobicContact CG-CE1 4.27Å |
| 282 | R | 78.4 | Confident | 84.9 | Confident | 96 Ų | 96 | 58.6 Ų | 58.6 | 36% | 0.362 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 126.8 | 177.4 | -56.8 | 175.7 | 66.3 | 113.8 | 4.1 | 108.7 | L339 L340 S341 Q433 | R282-L339 HydrophobicContact CB-CD2 3.57Å; R282-L339 HydrophobicContact CG-CD2 4.28Å; R282-L339 VanDerWaalsContact NE-CD2 3.27Å; R282-L340 CarbonylContact O-C 3.47Å; R282-L340 WeakPolarHBondContact O-CA 3.41Å; R282-S341 PolarHBondContact N-O 3.02Å; R282-S341 PolarHBondContact O-N 2.87Å; R282-Q433 VanDerWaalsContact CZ-NE2 3.32Å; R282-Q433 VanDerWaalsContact CZ-OE1 3.26Å |
| 283 | V | 81.3 | Confident | 85.1 | Confident | 49 Ų | 49 | 50.6 Ų | 50.6 | 30% | 0.297 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 125.8 | 171.4 | -174.3 | 0 | 0 | 0 | 0 | 107.7 | F280 L285 V313 L339 L340 | F280-V283 HydrophobicContact CB-CG2 4.02Å; F280-V283 HydrophobicContact CD1-CG2 3.65Å; F280-V283 HydrophobicContact CG-CG2 4.3Å; V283-L285 HydrophobicContact CG1-CD1 3.82Å; V283-L285 HydrophobicContact CG1-CG 3.73Å; V283-V313 HydrophobicContact CB-CG2 4.09Å; V283-V313 HydrophobicContact CG1-CG2 3.88Å; V283-V313 HydrophobicContact CG2-CG1 3.98Å; V283-V313 HydrophobicContact CG2-CG2 4.17Å; V283-L339 CarbonylContact C-O 3.57Å; V283-L339 WeakPolarHBondContact CA-O 3.49Å; V283-L340 HydrophobicContact CG2-CD1 4.22Å |
| 284 | S | 78.6 | Confident | 85.6 | Confident | 51 Ų | 51 | 48.3 Ų | 48.3 | 36% | 0.357 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 103.5 | 173.4 | 177.6 | 0 | 0 | 0 | 0 | 105.6 | P337 L338 L339 | S284-P337 WeakPolarHBondContact CB-O 3.35Å; S284-P337 PolarHBondContact OG-O 3.22Å; S284-L338 WeakPolarHBondContact O-CA 3.36Å; S284-L339 PolarHBondContact N-O 2.94Å; S284-L339 PolarHBondContact O-N 3.35Å |
| 285 | L | 78.8 | Confident | 85.7 | Confident | 40 Ų | 40 | 46 Ų | 46 | 21% | 0.209 | 22% | 0.222 | C | C | . | . | trans | -126.6 | 142.6 | -178 | -58 | 176.7 | 0 | 0 | 0 | 107.7 | V283 D290 L292 L329 L338 | V283-L285 HydrophobicContact CG1-CD1 3.82Å; V283-L285 HydrophobicContact CG1-CG 3.73Å; L285-D290 HydrophobicContact CB-CB 4Å; L285-D290 HydrophobicContact CD2-CB 4.22Å; L285-L292 HydrophobicContact CD1-CB 3.79Å; L285-L329 HydrophobicContact CD2-CD1 3.75Å; L285-L338 HydrophobicContact CD2-CD1 3.65Å | ||
| 286 | D | 77.4 | Confident | 85.8 | Confident | 30 Ų | 30 | 43.1 Ų | 43.1 | 16% | 0.16 | 21% | 0.212 | C | C | . | . | trans | -81 | 111.4 | 170.7 | -168.7 | -64.9 | 0 | 0 | 0 | 110.3 | D288 N289 D290 N336 | D286-D288 PolarHBondContact O-N 3.22Å; D286-D288 PolarHBondContact OD1-N 3.23Å; D286-N289 HydrophobicContact CB-CB 4.16Å; D286-N289 PolarHBondContact O-N 2.74Å; D286-N289 PolarHBondContact OD1-N 2.71Å; D286-N289 PolarHBondContact OD1-ND2 2.91Å; D286-D290 HydrophobicContact CB-CB 4.35Å; D286-D290 WeakPolarHBondContact CB-OD2 3.34Å; D286-D290 PolarHBondContact N-OD2 2.96Å; D286-D290 PolarHBondContact O-N 3.07Å; D286-N336 PolarHBondContact OD2-ND2 2.94Å | ||
| 287 | E | 76.1 | Confident | 85.7 | Confident | 198 Ų | 198 | 43.7 Ų | 43.7 | 93% | 0.925 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -25 | -173.5 | -64.7 | 175.7 | -174.7 | 0 | 0 | 114.6 | ||
| 288 | D | 78.1 | Confident | 85.6 | Confident | 156 Ų | 156 | 45 Ų | 45 | 83% | 0.834 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -16.2 | 179.1 | -83.6 | -44.4 | 0 | 0 | 0 | 113.2 | D286 | D286-D288 PolarHBondContact O-N 3.22Å; D286-D288 PolarHBondContact OD1-N 3.23Å |
| 289 | N | 78.1 | Confident | 85.4 | Confident | 59 Ų | 59 | 47.1 Ų | 47.1 | 32% | 0.316 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -135 | -14.8 | -164.8 | -61.5 | -91.1 | 0 | 0 | 0 | 115.9 | D286 E332 T333 | D286-N289 HydrophobicContact CB-CB 4.16Å; D286-N289 PolarHBondContact O-N 2.74Å; D286-N289 PolarHBondContact OD1-N 2.71Å; D286-N289 PolarHBondContact OD1-ND2 2.91Å; N289-E332 PolarHBondContact O-N 2.94Å; N289-T333 HydrophobicContact CB-CG2 4.46Å |
| 290 | D | 85.3 | Confident | 85.4 | Confident | 9 Ų | 9 | 49.4 Ų | 49.4 | 5% | 0.048 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 142.1 | -176.4 | -61 | -25.1 | 0 | 0 | 0 | 111.4 | L285 D286 L330 S331 L338 | L285-D290 HydrophobicContact CB-CB 4Å; L285-D290 HydrophobicContact CD2-CB 4.22Å; D286-D290 HydrophobicContact CB-CB 4.35Å; D286-D290 WeakPolarHBondContact CB-OD2 3.34Å; D286-D290 PolarHBondContact N-OD2 2.96Å; D286-D290 PolarHBondContact O-N 3.07Å; D290-L330 CarbonylContact C-O 3.59Å; D290-L330 WeakPolarHBondContact CA-O 3.42Å; D290-S331 VanDerWaalsContact OD1-CA 3.24Å; D290-S331 WeakPolarHBondContact OD1-CA 3.41Å; D290-S331 WeakPolarHBondContact OD1-CB 3.28Å; D290-S331 PolarHBondContact OD1-OG 3.43Å; D290-L338 HydrophobicContact CB-CD1 4.13Å; D290-L338 VanDerWaalsContact OD2-CD1 3.25Å; D290-L338 WeakPolarHBondContact OD2-CD1 3.48Å |
| 291 | R | 88.8 | Confident | 85.6 | Confident | 70 Ų | 70 | 56 Ų | 56 | 26% | 0.264 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 130.3 | 179.7 | 179.9 | 174.6 | -174.1 | 163.6 | -4.2 | 113 | M293 D307 S308 D309 L329 L330 | R291-M293 HydrophobicContact CG-CE 4.19Å; R291-M293 HydrophobicContact CG-CG 4.23Å; R291-D307 IonicContact CZ-OD1 2.74Å; R291-D307 VanDerWaalsContact CZ-OD1 3.23Å; R291-D307 IonicContact CZ-OD2 3.87Å; R291-D307 IonicContact NE-OD1 3.61Å; R291-D307 PolarHBondContact NE-OD1 2.98Å; R291-D307 IonicContact NE-OD2 3.39Å; R291-D307 IonicContact NH2-OD1 3.79Å; R291-D307 PolarHBondContact NH2-OD1 2.77Å; R291-D307 IonicContact NH2-OD2 2.64Å; R291-D307 PolarHBondContact NH2-OD2 2.9Å; R291-S308 WeakPolarHBondContact CA-OG 3.37Å; R291-D309 WeakPolarHBondContact CD-OD1 3.49Å; R291-D309 WeakPolarHBondContact CD-OD2 3.44Å; R291-D309 WeakPolarHBondContact CG-OD1 3.24Å; R291-D309 IonicContact CZ-OD1 2.76Å; R291-D309 IonicContact CZ-OD2 2.71Å; R291-D309 IonicContact NE-OD1 3.29Å; R291-D309 PolarHBondContact NE-OD1 3.4Å; R291-D309 IonicContact NE-OD2 2.7Å; R291-D309 PolarHBondContact NE-OD2 2.89Å; R291-D309 IonicContact NH1-OD2 3.06Å; R291-D309 PolarHBondContact NH1-OD2 2.88Å; R291-D309 IonicContact NH2-OD2 3.67Å; R291-L329 WeakPolarHBondContact O-CA 3.49Å; R291-L330 HydrophobicContact CB-CB 4.44Å; R291-L330 PolarHBondContact N-O 2.81Å; R291-L330 PolarHBondContact O-N 3.12Å |
| 292 | L | 90.9 | Very high | 86.2 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 121.2 | 174.1 | 179 | 60.9 | 0 | 0 | 0 | 110.5 | F280 L285 Y306 S308 V327 L329 L340 | F280-L292 HydrophobicContact CE1-CD2 3.97Å; L285-L292 HydrophobicContact CD1-CB 3.79Å; L292-Y306 HydrophobicContact CD2-CE1 4.28Å; L292-Y306 HydrophobicContact CG-CE1 4.34Å; L292-S308 PolarHBondContact N-OG 2.83Å; L292-S308 PolarHBondContact O-N 2.93Å; L292-V327 HydrophobicContact CD1-CG1 3.86Å; L292-L329 HydrophobicContact CB-CD1 4.21Å; L292-L329 HydrophobicContact CD1-CB 4.39Å; L292-L329 HydrophobicContact CD1-CD1 4.33Å; L292-L340 HydrophobicContact CD1-CD2 3.91Å; L292-L340 HydrophobicContact CD2-CD1 3.67Å; L292-L340 HydrophobicContact CD2-CD2 4.36Å |
| 293 | M | 92.7 | Very high | 86.9 | Confident | 13 Ų | 13 | 54.7 Ų | 54.7 | 6% | 0.064 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 135.4 | 175.4 | -71.9 | 168.7 | -77.4 | 0 | 0 | 110.6 | R291 R295 D307 E328 L330 | R291-M293 HydrophobicContact CG-CE 4.19Å; R291-M293 HydrophobicContact CG-CG 4.23Å; M293-R295 PolarHBondContact SD-NH2 3.46Å; M293-D307 VanDerWaalsContact CG-OD1 3.24Å; M293-D307 WeakPolarHBondContact CG-OD1 3.47Å; M293-E328 HydrophobicContact CE-CG 4.12Å; M293-E328 PolarHBondContact N-O 3.34Å; M293-E328 PolarHBondContact O-N 2.85Å; M293-L330 HydrophobicContact CE-CD1 3.75Å; M293-L330 HydrophobicContact CE-CG 4.28Å |
| 294 | V | 94.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 133.8 | 172.7 | -175.8 | 0 | 0 | 0 | 0 | 109.9 | L278 I305 Y306 L318 L325 V327 | L278-V294 HydrophobicContact CD1-CG1 3.75Å; L278-V294 HydrophobicContact CD1-CG2 4.31Å; V294-I305 HydrophobicContact CB-CG1 4.21Å; V294-I305 HydrophobicContact CG1-CD1 3.94Å; V294-I305 HydrophobicContact CG1-CG1 3.87Å; V294-I305 PolarHBondContact O-N 2.92Å; V294-Y306 HydrophobicContact CG2-CD1 4.24Å; V294-Y306 PolarHBondContact N-O 2.86Å; V294-Y306 PolarHBondContact O-N 3.34Å; V294-L318 HydrophobicContact CB-CD1 3.94Å; V294-L318 HydrophobicContact CG1-CD1 4.03Å; V294-L318 HydrophobicContact CG2-CD1 3.97Å; V294-L325 HydrophobicContact CG1-CD2 4.08Å; V294-V327 HydrophobicContact CG1-CG2 4.36Å; V294-V327 HydrophobicContact CG2-CG1 4.45Å; V294-V327 HydrophobicContact CG2-CG2 4.4Å |
| 295 | R | 94.5 | Very high | 88.1 | Confident | 29 Ų | 29 | 55.7 Ų | 55.7 | 11% | 0.109 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 137.2 | -178.6 | -64.6 | 176.2 | -179.5 | 97.1 | 6.1 | 112 | M293 G297 S302 P303 V304 L325 Y326 E328 | M293-R295 PolarHBondContact SD-NH2 3.46Å; R295-G297 PolarHBondContact O-N 2.93Å; R295-S302 WeakPolarHBondContact CD-O 3.4Å; R295-P303 CarbonylContact C-O 3.53Å; R295-P303 WeakPolarHBondContact CA-O 3.32Å; R295-P303 WeakPolarHBondContact CB-O 3.49Å; R295-V304 HydrophobicContact CG-CB 4.48Å; R295-V304 HydrophobicContact CG-CG2 3.92Å; R295-L325 WeakPolarHBondContact O-CA 3.38Å; R295-L325 WeakPolarHBondContact O-CD2 3Å; R295-Y326 HydrophobicContact CB-CD1 4.49Å; R295-Y326 PolarHBondContact N-O 2.82Å; R295-Y326 PolarHBondContact O-N 2.84Å; R295-E328 IonicContact CZ-OE2 3.32Å; R295-E328 IonicContact NH1-OE2 3.73Å; R295-E328 PolarHBondContact NH1-OE2 3.44Å; R295-E328 IonicContact NH2-OE2 3.17Å |
| 296 | S | 93.7 | Very high | 88.8 | Confident | 9 Ų | 9 | 54.2 Ų | 54.2 | 6% | 0.063 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 105.5 | 175.5 | -171.9 | 0 | 0 | 0 | 0 | 109.9 | S302 P303 D321 | S296-S302 WeakPolarHBondContact O-CB 3.43Å; S296-P303 PolarHBondContact N-O 2.9Å; S296-D321 WeakPolarHBondContact CB-OD2 3.08Å; S296-D321 PolarHBondContact OG-N 2.86Å; S296-D321 VanDerWaalsContact OG-N 3.12Å; S296-D321 PolarHBondContact OG-OD2 2.96Å |
| 297 | G | 90.9 | Very high | 89.5 | Confident | 11 Ų | 11 | 53.8 Ų | 53.8 | 11% | 0.113 | 30% | 0.299 | C | S | . | . | S | Bend | trans | 108 | 138.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | R295 S299 S302 S324 Y326 | R295-G297 PolarHBondContact O-N 2.93Å; G297-S299 PolarHBondContact O-N 2.86Å; G297-S302 VanDerWaalsContact C-OG 3.31Å; G297-S302 WeakPolarHBondContact O-CB 3.45Å; G297-S302 PolarHBondContact O-OG 3.1Å; G297-S324 VanDerWaalsContact CA-O 3.3Å; G297-S324 WeakPolarHBondContact CA-O 3.03Å; G297-S324 WeakPolarHBondContact CA-OG 3.38Å; G297-S324 PolarHBondContact N-O 2.87Å; G297-Y326 WeakPolarHBondContact O-CB 3.4Å |
| 298 | G | 89.4 | Confident | 90.1 | Very high | 30 Ų | 30 | 45.9 Ų | 45.9 | 31% | 0.309 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -68.8 | 32.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | S324 | G298-S324 PolarHBondContact N-OG 2.85Š|
| 299 | S | 89.2 | Confident | 90.5 | Very high | 45 Ų | 45 | 42.3 Ų | 42.3 | 32% | 0.315 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -134.5 | 154.5 | 178.3 | 92.9 | 0 | 0 | 0 | 0 | 112.4 | G297 L301 S302 | G297-S299 PolarHBondContact O-N 2.86Å; S299-L301 PolarHBondContact O-N 2.87Å; S299-L301 PolarHBondContact OG-N 3Å; S299-S302 PolarHBondContact N-OG 2.72Å; S299-S302 PolarHBondContact O-N 3.33Å; S299-S302 PolarHBondContact O-OG 2.77Å; S299-S302 PolarHBondContact OG-N 3.45Å; S299-S302 PolarHBondContact OG-OG 2.87Å |
| 300 | P | 89.1 | Confident | 90.9 | Very high | 76 Ų | 76 | 46 Ų | 46 | 49% | 0.494 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -8.9 | 173.8 | 28.8 | -35.6 | 0 | 0 | 0 | 113.9 | Y326 | P300-Y326 HydrophobicContact CB-CE1 4.09Å; P300-Y326 HydrophobicContact CB-CE2 4.11Å; P300-Y326 HydrophobicContact CG-CE2 4.45Å |
| 301 | L | 90.3 | Very high | 90.8 | Very high | 163 Ų | 163 | 50 Ų | 50 | 85% | 0.853 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | -1.5 | 178.5 | -62.7 | 177.3 | 0 | 0 | 0 | 113 | S299 | S299-L301 PolarHBondContact O-N 2.87Å; S299-L301 PolarHBondContact OG-N 3Å |
| 302 | S | 93.1 | Very high | 90.6 | Very high | 20 Ų | 20 | 54.2 Ų | 54.2 | 14% | 0.14 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -75.8 | 159.9 | -179.9 | -25.5 | 0 | 0 | 0 | 0 | 111.4 | R295 S296 G297 S299 V304 | R295-S302 WeakPolarHBondContact CD-O 3.4Å; S296-S302 WeakPolarHBondContact O-CB 3.43Å; G297-S302 VanDerWaalsContact C-OG 3.31Å; G297-S302 WeakPolarHBondContact O-CB 3.45Å; G297-S302 PolarHBondContact O-OG 3.1Å; S299-S302 PolarHBondContact N-OG 2.72Å; S299-S302 PolarHBondContact O-N 3.33Å; S299-S302 PolarHBondContact O-OG 2.77Å; S299-S302 PolarHBondContact OG-N 3.45Å; S299-S302 PolarHBondContact OG-OG 2.87Å; S302-V304 PolarHBondContact O-N 2.93Å |
| 303 | P | 93.1 | Very high | 90.2 | Very high | 91 Ų | 91 | 57 Ų | 57 | 59% | 0.591 | 33% | 0.33 | S | S | * | . | P | Polyproline II helix | trans | -53.5 | 133.7 | 179.8 | -27.2 | 35.8 | 0 | 0 | 0 | 113 | R295 S296 | R295-P303 CarbonylContact C-O 3.53Å; R295-P303 WeakPolarHBondContact CA-O 3.32Å; R295-P303 WeakPolarHBondContact CB-O 3.49Å; S296-P303 PolarHBondContact N-O 2.9Å |
| 304 | V | 92.3 | Very high | 89.7 | Confident | 72 Ų | 72 | 58.1 Ų | 58.1 | 44% | 0.436 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 132.3 | 170.8 | 179.4 | 0 | 0 | 0 | 0 | 108.7 | R295 S302 Y306 D307 | R295-V304 HydrophobicContact CG-CB 4.48Å; R295-V304 HydrophobicContact CG-CG2 3.92Å; S302-V304 PolarHBondContact O-N 2.93Å; V304-Y306 WeakPolarHBondContact CG1-O 3.04Å; V304-D307 HydrophobicContact CG1-CB 4.07Å |
| 305 | I | 92.8 | Very high | 88.5 | Confident | 49 Ų | 49 | 66.2 Ų | 66.2 | 25% | 0.251 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | -10.2 | 174.9 | 60.2 | 171.3 | 0 | 0 | 0 | 112.8 | V294 L318 L325 | V294-I305 HydrophobicContact CB-CG1 4.21Å; V294-I305 HydrophobicContact CG1-CD1 3.94Å; V294-I305 HydrophobicContact CG1-CG1 3.87Å; V294-I305 PolarHBondContact O-N 2.92Å; I305-L318 HydrophobicContact CD1-CB 4.25Å; I305-L318 HydrophobicContact CG1-CD1 4.49Å; I305-L325 HydrophobicContact CD1-CD2 3.81Å |
| 306 | Y | 93.7 | Very high | 87.4 | Confident | 8 Ų | 8 | 70.6 Ų | 70.6 | 3% | 0.031 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 142.4 | 171.5 | 176 | -103.8 | 0 | 0 | 0 | 110.9 | F280 L292 V294 V304 D311 D312 P314 L318 | F280-Y306 HydrophobicContact CE1-CE1 4.42Å; F280-Y306 HydrophobicContact CZ-CD1 4.32Å; L292-Y306 HydrophobicContact CD2-CE1 4.28Å; L292-Y306 HydrophobicContact CG-CE1 4.34Å; V294-Y306 HydrophobicContact CG2-CD1 4.24Å; V294-Y306 PolarHBondContact N-O 2.86Å; V294-Y306 PolarHBondContact O-N 3.34Å; V304-Y306 WeakPolarHBondContact CG1-O 3.04Å; Y306-D311 HydrophobicContact CD2-CB 4.04Å; Y306-D311 HydrophobicContact CE2-CB 3.84Å; Y306-D311 WeakPolarHBondContact CE2-O 3.24Å; Y306-D311 PolarHBondContact OH-O 2.92Å; Y306-D312 WeakPolarHBondContact CE2-O 3.44Å; Y306-P314 HydrophobicContact CD2-CG 4.41Å; Y306-L318 VanDerWaalsContact CB-CD1 3.4Å; Y306-L318 HydrophobicContact CD1-CD1 4.48Å; Y306-L318 HydrophobicContact CG-CD1 4.01Å |
| 307 | D | 92.1 | Very high | 86.9 | Confident | 21 Ų | 21 | 70.7 Ų | 70.7 | 11% | 0.112 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 112.8 | -178.8 | -159.4 | -6.1 | 0 | 0 | 0 | 109.5 | R291 M293 V304 D309 M310 D311 | R291-D307 IonicContact CZ-OD1 2.74Å; R291-D307 VanDerWaalsContact CZ-OD1 3.23Å; R291-D307 IonicContact CZ-OD2 3.87Å; R291-D307 IonicContact NE-OD1 3.61Å; R291-D307 PolarHBondContact NE-OD1 2.98Å; R291-D307 IonicContact NE-OD2 3.39Å; R291-D307 IonicContact NH2-OD1 3.79Å; R291-D307 PolarHBondContact NH2-OD1 2.77Å; R291-D307 IonicContact NH2-OD2 2.64Å; R291-D307 PolarHBondContact NH2-OD2 2.9Å; M293-D307 VanDerWaalsContact CG-OD1 3.24Å; M293-D307 WeakPolarHBondContact CG-OD1 3.47Å; V304-D307 HydrophobicContact CG1-CB 4.07Å; D307-D309 PolarHBondContact O-N 2.93Å; D307-D309 VanDerWaalsContact O-N 3.11Å; D307-M310 HydrophobicContact CB-CB 4.43Å; D307-M310 HydrophobicContact CB-CG 4.25Å; D307-M310 PolarHBondContact O-N 2.68Å; D307-D311 PolarHBondContact O-N 3.36Å |
| 308 | S | 89.4 | Confident | 86.9 | Confident | 32 Ų | 32 | 71.1 Ų | 71.1 | 22% | 0.224 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -18.2 | -172.4 | 61.1 | 0 | 0 | 0 | 0 | 114.8 | R291 L292 M310 | R291-S308 WeakPolarHBondContact CA-OG 3.37Å; L292-S308 PolarHBondContact N-OG 2.83Å; L292-S308 PolarHBondContact O-N 2.93Å; S308-M310 PolarHBondContact O-N 2.9Å |
| 309 | D | 87.2 | Confident | 86.9 | Confident | 82 Ų | 82 | 73.3 Ų | 73.3 | 44% | 0.439 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -13.2 | 172.9 | -66.3 | 24.7 | 0 | 0 | 0 | 112.7 | R291 D307 | R291-D309 WeakPolarHBondContact CD-OD1 3.49Å; R291-D309 WeakPolarHBondContact CD-OD2 3.44Å; R291-D309 WeakPolarHBondContact CG-OD1 3.24Å; R291-D309 IonicContact CZ-OD1 2.76Å; R291-D309 IonicContact CZ-OD2 2.71Å; R291-D309 IonicContact NE-OD1 3.29Å; R291-D309 PolarHBondContact NE-OD1 3.4Å; R291-D309 IonicContact NE-OD2 2.7Å; R291-D309 PolarHBondContact NE-OD2 2.89Å; R291-D309 IonicContact NH1-OD2 3.06Å; R291-D309 PolarHBondContact NH1-OD2 2.88Å; R291-D309 IonicContact NH2-OD2 3.67Å; D307-D309 PolarHBondContact O-N 2.93Å; D307-D309 VanDerWaalsContact O-N 3.11Å |
| 310 | M | 85.6 | Confident | 87 | Confident | 137 Ų | 137 | 71.2 Ų | 71.2 | 68% | 0.675 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.3 | -37 | -167.6 | -56.6 | -72 | 131.6 | 0 | 0 | 112.9 | D307 S308 | D307-M310 HydrophobicContact CB-CB 4.43Å; D307-M310 HydrophobicContact CB-CG 4.25Å; D307-M310 PolarHBondContact O-N 2.68Å; S308-M310 PolarHBondContact O-N 2.9Å |
| 311 | D | 84.1 | Confident | 86.9 | Confident | 93 Ų | 93 | 73.1 Ų | 73.1 | 50% | 0.497 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -130.3 | 135.5 | -169.6 | -60.3 | -68.7 | 0 | 0 | 0 | 112.2 | Y306 D307 | Y306-D311 HydrophobicContact CD2-CB 4.04Å; Y306-D311 HydrophobicContact CE2-CB 3.84Å; Y306-D311 WeakPolarHBondContact CE2-O 3.24Å; Y306-D311 PolarHBondContact OH-O 2.92Å; D307-D311 PolarHBondContact O-N 3.36Å |
| 312 | D | 83.1 | Confident | 86.4 | Confident | 157 Ų | 157 | 67.2 Ų | 67.2 | 84% | 0.84 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 152.4 | 169.3 | -68.6 | -59.4 | 0 | 0 | 0 | 111.6 | Y306 P314 | Y306-D312 WeakPolarHBondContact CE2-O 3.44Å; D312-P314 WeakPolarHBondContact O-CD 3.44Å |
| 313 | V | 82.8 | Confident | 86.3 | Confident | 60 Ų | 60 | 70.6 Ų | 70.6 | 36% | 0.364 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 120.4 | -179.2 | -179.7 | 0 | 0 | 0 | 0 | 110.6 | F280 V283 E315 | F280-V313 HydrophobicContact CB-CG1 3.7Å; F280-V313 HydrophobicContact CD1-CG1 3.73Å; F280-V313 HydrophobicContact CD2-CG1 4.19Å; F280-V313 HydrophobicContact CE1-CG1 4.36Å; F280-V313 HydrophobicContact CG-CG1 3.62Å; V283-V313 HydrophobicContact CB-CG2 4.09Å; V283-V313 HydrophobicContact CG1-CG2 3.88Å; V283-V313 HydrophobicContact CG2-CG1 3.98Å; V283-V313 HydrophobicContact CG2-CG2 4.17Å; V313-E315 PolarHBondContact O-N 2.92Å |
| 314 | P | 82.7 | Confident | 86.4 | Confident | 35 Ų | 35 | 67 Ų | 67 | 23% | 0.227 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 121.4 | -170.3 | 28.5 | -34.6 | 0 | 0 | 0 | 112.3 | F280 Y306 D312 R316 G317 L318 | F280-P314 HydrophobicContact CD2-CG 4.24Å; F280-P314 HydrophobicContact CE2-CG 3.68Å; F280-P314 HydrophobicContact CZ-CG 4.25Å; Y306-P314 HydrophobicContact CD2-CG 4.41Å; D312-P314 WeakPolarHBondContact O-CD 3.44Å; P314-R316 VanDerWaalsContact C-N 3.26Å; P314-R316 PolarHBondContact O-N 3.26Å; P314-G317 WeakPolarHBondContact O-CA 3.25Å; P314-G317 PolarHBondContact O-N 2.93Å; P314-L318 HydrophobicContact CG-CD2 4.02Å; P314-L318 HydrophobicContact CG-CG 3.98Å |
| 315 | E | 68.5 | Low | 86.5 | Confident | 170 Ų | 170 | 63.6 Ų | 63.6 | 79% | 0.794 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -36.3 | -179.4 | -60.5 | 179.1 | 146.6 | 0 | 0 | 113.2 | V313 G317 | V313-E315 PolarHBondContact O-N 2.92Å; E315-G317 PolarHBondContact O-N 3.01Å |
| 316 | R | 71.4 | Confident | 86.6 | Confident | 122 Ų | 122 | 62 Ų | 62 | 46% | 0.46 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -3 | 177.1 | -69.5 | 179.2 | -178.9 | -131.6 | -9.3 | 113.8 | H277 P314 D406 T407 | H277-R316 PolarHBondContact NE2-O 2.9Å; P314-R316 VanDerWaalsContact C-N 3.26Å; P314-R316 PolarHBondContact O-N 3.26Å; R316-D406 IonicContact NH2-OD1 2.72Å; R316-T407 HydrophobicContact CG-CG2 3.63Å |
| 317 | G | 84.6 | Confident | 86.6 | Confident | 10 Ų | 10 | 61.7 Ų | 61.7 | 10% | 0.103 | 32% | 0.323 | C | S | . | . | trans | 69.7 | -159.5 | -166.6 | 0 | 0 | 0 | 0 | 0 | 113 | L278 P314 E315 | L278-G317 CarbonylContact O-C 3.54Å; L278-G317 WeakPolarHBondContact O-CA 3.37Å; P314-G317 WeakPolarHBondContact O-CA 3.25Å; P314-G317 PolarHBondContact O-N 2.93Å; E315-G317 PolarHBondContact O-N 3.01Å | ||
| 318 | L | 90 | Very high | 86.6 | Confident | 21 Ų | 21 | 61.4 Ų | 61.4 | 11% | 0.11 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 146.6 | 177.8 | -66.2 | 165 | 0 | 0 | 0 | 110.7 | H277 L278 F280 V294 I305 Y306 P314 | H277-L318 CarbonylContact C-O 3.57Å; H277-L318 WeakPolarHBondContact CA-O 3.26Å; H277-L318 PolarHBondContact CD2-O 2.04Å; H277-L318 VanDerWaalsContact CD2-O 3.31Å; L278-L318 HydrophobicContact CB-CB 4.39Å; L278-L318 PolarHBondContact N-O 2.85Å; L278-L318 PolarHBondContact O-N 2.04Å; F280-L318 HydrophobicContact CE2-CD1 3.88Å; F280-L318 HydrophobicContact CE2-CG 3.95Å; F280-L318 HydrophobicContact CZ-CD1 3.66Å; F280-L318 HydrophobicContact CZ-CG 4.24Å; V294-L318 HydrophobicContact CB-CD1 3.94Å; V294-L318 HydrophobicContact CG1-CD1 4.03Å; V294-L318 HydrophobicContact CG2-CD1 3.97Å; I305-L318 HydrophobicContact CD1-CB 4.25Å; I305-L318 HydrophobicContact CG1-CD1 4.49Å; Y306-L318 VanDerWaalsContact CB-CD1 3.4Å; Y306-L318 HydrophobicContact CD1-CD1 4.48Å; Y306-L318 HydrophobicContact CG-CD1 4.01Å; P314-L318 HydrophobicContact CG-CD2 4.02Å; P314-L318 HydrophobicContact CG-CG 3.98Å |
| 319 | I | 90.3 | Very high | 86.7 | Confident | 75 Ų | 75 | 59.9 Ų | 59.9 | 39% | 0.385 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 141.2 | 173 | -61.7 | 172 | 0 | 0 | 0 | 108.4 | L276 F347 F353 | L276-I319 WeakPolarHBondContact O-CA 3.35Å; I319-F347 HydrophobicContact CD1-CZ 4.49Å; I319-F347 HydrophobicContact CG2-CE1 4.32Å; I319-F347 HydrophobicContact CG2-CZ 3.88Å; I319-F353 HydrophobicContact CD1-CD1 4.2Å; I319-F353 HydrophobicContact CD1-CE1 4.08Å |
| 320 | S | 91.8 | Very high | 86.7 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.007 | 30% | 0.303 | C | S | . | . | trans | -87.7 | 136.9 | 173.8 | 68.9 | 0 | 0 | 0 | 0 | 112.6 | R275 L276 A322 | R275-S320 VanDerWaalsContact CD-O 3.31Å; R275-S320 WeakPolarHBondContact CD-O 3.32Å; R275-S320 WeakPolarHBondContact CG-O 3.43Å; L276-S320 PolarHBondContact N-OG 2.8Å; L276-S320 PolarHBondContact O-N 2.93Å; L276-S320 PolarHBondContact O-OG 3.36Å; S320-A322 VanDerWaalsContact CB-O 3.26Å; S320-A322 WeakPolarHBondContact CB-O 3.46Å; S320-A322 PolarHBondContact O-N 2.86Å; S320-A322 PolarHBondContact OG-O 2.87Å | ||
| 321 | D | 86.3 | Confident | 86.6 | Confident | 116 Ų | 116 | 52.3 Ų | 52.3 | 62% | 0.62 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -73.5 | -13.9 | 170.5 | -35.6 | -87.3 | 0 | 0 | 0 | 112.4 | S296 | S296-D321 WeakPolarHBondContact CB-OD2 3.08Å; S296-D321 PolarHBondContact OG-N 2.86Å; S296-D321 VanDerWaalsContact OG-N 3.12Å; S296-D321 PolarHBondContact OG-OD2 2.96Å |
| 322 | A | 80.6 | Confident | 86.1 | Confident | 39 Ų | 39 | 54.1 Ų | 54.1 | 32% | 0.322 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -127 | 166.3 | -176 | 0 | 0 | 0 | 0 | 0 | 111.3 | S320 S324 | S320-A322 VanDerWaalsContact CB-O 3.26Å; S320-A322 WeakPolarHBondContact CB-O 3.46Å; S320-A322 PolarHBondContact O-N 2.86Å; S320-A322 PolarHBondContact OG-O 2.87Å; A322-S324 PolarHBondContact O-N 3.05Å |
| 323 | Q | 90.9 | Very high | 85.3 | Confident | 91 Ų | 91 | 48.7 Ų | 48.7 | 43% | 0.425 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -66.3 | 7.4 | 175.9 | 73.8 | -175.5 | 30 | 0 | 0 | 115.3 | A270 R274 | A270-Q323 PolarHBondContact N-O 2.78Å; R274-Q323 VanDerWaalsContact O-CA 3.29Å; R274-Q323 WeakPolarHBondContact O-CA 3.08Å |
| 324 | S | 93.7 | Very high | 84 | Confident | 17 Ų | 17 | 49.5 Ų | 49.5 | 12% | 0.119 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 155.4 | -176 | 52.5 | 0 | 0 | 0 | 0 | 113.1 | I268 G297 G298 A322 | I268-S324 CarbonylContact O-C 3.59Å; I268-S324 WeakPolarHBondContact O-CA 3.35Å; I268-S324 WeakPolarHBondContact O-CB 2.99Å; G297-S324 VanDerWaalsContact CA-O 3.3Å; G297-S324 WeakPolarHBondContact CA-O 3.03Å; G297-S324 WeakPolarHBondContact CA-OG 3.38Å; G297-S324 PolarHBondContact N-O 2.87Å; G298-S324 PolarHBondContact N-OG 2.85Å; A322-S324 PolarHBondContact O-N 3.05Å |
| 325 | L | 95.1 | Very high | 82.5 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 142.5 | 176.8 | -75.7 | 171.5 | 0 | 0 | 0 | 110.1 | V267 I268 L276 L278 V294 R295 I305 | V267-L325 WeakPolarHBondContact CA-O 3.48Å; I268-L325 HydrophobicContact CB-CB 4.43Å; I268-L325 PolarHBondContact N-O 2.75Å; I268-L325 PolarHBondContact O-N 3.27Å; L276-L325 HydrophobicContact CB-CD1 3.58Å; L276-L325 HydrophobicContact CB-CG 4.17Å; L276-L325 HydrophobicContact CD1-CB 4.17Å; L276-L325 HydrophobicContact CD1-CD1 4.08Å; L276-L325 HydrophobicContact CD1-CG 4Å; L276-L325 HydrophobicContact CG-CD1 4.48Å; L278-L325 HydrophobicContact CD1-CD1 3.73Å; L278-L325 HydrophobicContact CD2-CD1 4.32Å; L278-L325 HydrophobicContact CG-CD1 3.64Å; V294-L325 HydrophobicContact CG1-CD2 4.08Å; R295-L325 WeakPolarHBondContact O-CA 3.38Å; R295-L325 WeakPolarHBondContact O-CD2 3Å; I305-L325 HydrophobicContact CD1-CD2 3.81Å |
| 326 | Y | 94.7 | Very high | 81.9 | Confident | 16 Ų | 16 | 47.8 Ų | 47.8 | 6% | 0.063 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 117 | 170.5 | 175.8 | -78.4 | 0 | 0 | 0 | 108.3 | R265 V267 R295 G297 P300 E328 | R265-Y326 VanDerWaalsContact CD-OH 3.31Å; R265-Y326 WeakPolarHBondContact CD-OH 3.12Å; R265-Y326 PolarHBondContact NE-OH 3.02Å; V267-Y326 HydrophobicContact CG2-CD2 3.79Å; V267-Y326 HydrophobicContact CG2-CE2 4.39Å; R295-Y326 HydrophobicContact CB-CD1 4.49Å; R295-Y326 PolarHBondContact N-O 2.82Å; R295-Y326 PolarHBondContact O-N 2.84Å; G297-Y326 WeakPolarHBondContact O-CB 3.4Å; P300-Y326 HydrophobicContact CB-CE1 4.09Å; P300-Y326 HydrophobicContact CB-CE2 4.11Å; P300-Y326 HydrophobicContact CG-CE2 4.45Å; Y326-E328 HydrophobicContact CD1-CB 4.4Å; Y326-E328 HydrophobicContact CE1-CB 3.69Å; Y326-E328 HydrophobicContact CE1-CG 4.41Å; Y326-E328 PolarHBondContact OH-OE1 2.89Å |
| 327 | V | 94.3 | Very high | 81.2 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 128.9 | -179.2 | -177.7 | 0 | 0 | 0 | 0 | 108.8 | R265 W266 L278 L292 V294 L342 | R265-V327 CarbonylContact C-O 3.55Å; R265-V327 WeakPolarHBondContact CA-O 3.39Å; W266-V327 HydrophobicContact CB-CB 4.48Å; W266-V327 HydrophobicContact CE3-CB 4.37Å; W266-V327 HydrophobicContact CE3-CG1 4.1Å; W266-V327 PolarHBondContact N-O 3.21Å; W266-V327 PolarHBondContact O-N 3.26Å; L278-V327 HydrophobicContact CD1-CG2 4.1Å; L292-V327 HydrophobicContact CD1-CG1 3.86Å; V294-V327 HydrophobicContact CG1-CG2 4.36Å; V294-V327 HydrophobicContact CG2-CG1 4.45Å; V294-V327 HydrophobicContact CG2-CG2 4.4Å; V327-L342 HydrophobicContact CG1-CD1 3.99Å |
| 328 | E | 92.8 | Very high | 80.3 | Confident | 16 Ų | 16 | 45.9 Ų | 45.9 | 8% | 0.075 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 120.7 | -177.1 | 178.7 | 166 | -129.3 | 0 | 0 | 110.6 | C264 R265 M293 R295 Y326 L330 | C264-E328 WeakPolarHBondContact O-CA 3.4Å; R265-E328 HydrophobicContact CG-CG 4.19Å; R265-E328 IonicContact CZ-OE1 3.73Å; R265-E328 IonicContact NE-OE1 3.4Å; R265-E328 PolarHBondContact NE-OE1 3.05Å; R265-E328 IonicContact NH2-OE1 2.66Å; R265-E328 PolarHBondContact NH2-OE1 3.48Å; M293-E328 HydrophobicContact CE-CG 4.12Å; M293-E328 PolarHBondContact N-O 3.34Å; M293-E328 PolarHBondContact O-N 2.85Å; R295-E328 IonicContact CZ-OE2 3.32Å; R295-E328 IonicContact NH1-OE2 3.73Å; R295-E328 PolarHBondContact NH1-OE2 3.44Å; R295-E328 IonicContact NH2-OE2 3.17Å; Y326-E328 HydrophobicContact CD1-CB 4.4Å; Y326-E328 HydrophobicContact CE1-CB 3.69Å; Y326-E328 HydrophobicContact CE1-CG 4.41Å; Y326-E328 PolarHBondContact OH-OE1 2.89Å; E328-L330 HydrophobicContact CG-CD2 4.42Å |
| 329 | L | 90.1 | Very high | 79.6 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 125.1 | 176.5 | -179.6 | 68.2 | 0 | 0 | 0 | 109.3 | T263 C264 W266 L285 R291 L292 L338 L340 | T263-L329 CarbonylContact C-O 3.58Å; T263-L329 WeakPolarHBondContact CA-O 3.45Å; C264-L329 HydrophobicContact CB-CB 4.45Å; C264-L329 PolarHBondContact N-O 2.84Å; C264-L329 PolarHBondContact O-N 2.8Å; W266-L329 HydrophobicContact CH2-CB 4.39Å; W266-L329 HydrophobicContact CH2-CD2 4.39Å; W266-L329 HydrophobicContact CZ3-CB 3.91Å; L285-L329 HydrophobicContact CD2-CD1 3.75Å; R291-L329 WeakPolarHBondContact O-CA 3.49Å; L292-L329 HydrophobicContact CB-CD1 4.21Å; L292-L329 HydrophobicContact CD1-CB 4.39Å; L292-L329 HydrophobicContact CD1-CD1 4.33Å; L329-L338 HydrophobicContact CD1-CD1 4.35Å; L329-L338 HydrophobicContact CD2-CD1 4.42Å; L329-L338 HydrophobicContact CD2-CD2 4.14Å; L329-L340 HydrophobicContact CB-CD2 4.47Å; L329-L340 HydrophobicContact CD1-CD2 4.42Å; L329-L340 HydrophobicContact CD2-CB 4.36Å; L329-L340 HydrophobicContact CD2-CD2 3.94Å |
| 330 | L | 87.9 | Confident | 79.4 | Confident | 54 Ų | 54 | 44.2 Ų | 44.2 | 28% | 0.283 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 141.7 | 172.4 | -55.4 | 177 | 0 | 0 | 0 | 108.5 | T263 D290 R291 M293 E328 | T263-L330 HydrophobicContact CG2-CD2 3.74Å; D290-L330 CarbonylContact C-O 3.59Å; D290-L330 WeakPolarHBondContact CA-O 3.42Å; R291-L330 HydrophobicContact CB-CB 4.44Å; R291-L330 PolarHBondContact N-O 2.81Å; R291-L330 PolarHBondContact O-N 3.12Å; M293-L330 HydrophobicContact CE-CD1 3.75Å; M293-L330 HydrophobicContact CE-CG 4.28Å; E328-L330 HydrophobicContact CG-CD2 4.42Å |
| 331 | S | 82.6 | Confident | 79.2 | Confident | 6 Ų | 6 | 44.3 Ų | 44.3 | 4% | 0.042 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 127.3 | 173.1 | 171.6 | 0 | 0 | 0 | 0 | 109.5 | N261 L262 D290 | N261-S331 CarbonylContact C-O 3.58Å; N261-S331 WeakPolarHBondContact CA-O 3.45Å; L262-S331 PolarHBondContact N-O 2.79Å; L262-S331 PolarHBondContact O-N 2.03Å; L262-S331 VanDerWaalsContact O-N 3.14Å; D290-S331 VanDerWaalsContact OD1-CA 3.24Å; D290-S331 WeakPolarHBondContact OD1-CA 3.41Å; D290-S331 WeakPolarHBondContact OD1-CB 3.28Å; D290-S331 PolarHBondContact OD1-OG 3.43Å |
| 332 | E | 74.9 | Confident | 79.3 | Confident | 131 Ų | 131 | 38.8 Ų | 38.8 | 61% | 0.612 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -101.8 | -8.7 | -175.7 | -59.7 | -147.4 | 150.3 | 0 | 0 | 114.6 | N289 | N289-E332 PolarHBondContact O-N 2.94Š|
| 333 | T | 65.5 | Low | 79.8 | Confident | 43 Ų | 43 | 38.6 Ų | 38.6 | 26% | 0.264 | 22% | 0.218 | S | C | . | . | trans | -140.9 | 134.3 | 171.3 | 85.4 | 0 | 0 | 0 | 0 | 113.8 | N289 A335 | N289-T333 HydrophobicContact CB-CG2 4.46Å; T333-A335 PolarHBondContact O-N 2.86Å | ||
| 334 | P | 55.7 | Low | 79.9 | Confident | 76 Ų | 76 | 34.6 Ų | 34.6 | 49% | 0.494 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 24.5 | 175.6 | 37 | -37.2 | 0 | 0 | 0 | 112.7 | P254 | P254-P334 HydrophobicContact CB-CB 4.14Š|
| 335 | A | 52 | Low | 79.9 | Confident | 83 Ų | 83 | 34.5 Ų | 34.5 | 69% | 0.686 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -29 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | T333 | T333-A335 PolarHBondContact O-N 2.86Š|
| 336 | N | 55.3 | Low | 79.8 | Confident | 87 Ų | 87 | 35 Ų | 35 | 47% | 0.465 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -108 | 157.9 | 173.6 | -77.2 | -36.7 | 0 | 0 | 0 | 110 | D286 L338 | D286-N336 PolarHBondContact OD2-ND2 2.94Å; N336-L338 VanDerWaalsContact C-N 3.31Å; N336-L338 PolarHBondContact O-N 3.02Å |
| 337 | P | 57.4 | Low | 79.6 | Confident | 82 Ų | 82 | 35.2 Ų | 35.2 | 53% | 0.532 | 20% | 0.202 | S | C | . | . | trans | -74.3 | 84.4 | 179.7 | 30.9 | -35 | 0 | 0 | 0 | 111 | S284 L339 | S284-P337 WeakPolarHBondContact CB-O 3.35Å; S284-P337 PolarHBondContact OG-O 3.22Å; P337-L339 PolarHBondContact O-N 2.91Å; P337-L339 VanDerWaalsContact O-N 3.11Å | ||
| 338 | L | 65.7 | Low | 79.5 | Confident | 9 Ų | 9 | 38.2 Ų | 38.2 | 5% | 0.047 | 22% | 0.216 | C | C | . | . | trans | -56.4 | 111.1 | 164.6 | 179.3 | 78.3 | 0 | 0 | 0 | 108.7 | S251 L262 S284 L285 D290 L329 N336 | S251-L338 PolarHBondContact OG-O 3.32Å; L262-L338 HydrophobicContact CD2-CD2 3.45Å; L262-L338 VanDerWaalsContact CD2-CD2 3.45Å; S284-L338 WeakPolarHBondContact O-CA 3.36Å; L285-L338 HydrophobicContact CD2-CD1 3.65Å; D290-L338 HydrophobicContact CB-CD1 4.13Å; D290-L338 VanDerWaalsContact OD2-CD1 3.25Å; D290-L338 WeakPolarHBondContact OD2-CD1 3.48Å; L329-L338 HydrophobicContact CD1-CD1 4.35Å; L329-L338 HydrophobicContact CD2-CD1 4.42Å; L329-L338 HydrophobicContact CD2-CD2 4.14Å; N336-L338 VanDerWaalsContact C-N 3.31Å; N336-L338 PolarHBondContact O-N 3.02Å | ||
| 339 | L | 74.3 | Confident | 79.2 | Confident | 59 Ų | 59 | 42.4 Ų | 42.4 | 31% | 0.309 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 101.8 | -175 | -160.9 | 163.7 | 0 | 0 | 0 | 110.7 | R282 V283 S284 P337 | R282-L339 HydrophobicContact CB-CD2 3.57Å; R282-L339 HydrophobicContact CG-CD2 4.28Å; R282-L339 VanDerWaalsContact NE-CD2 3.27Å; V283-L339 CarbonylContact C-O 3.57Å; V283-L339 WeakPolarHBondContact CA-O 3.49Å; S284-L339 PolarHBondContact N-O 2.94Å; S284-L339 PolarHBondContact O-N 3.35Å; P337-L339 PolarHBondContact O-N 2.91Å; P337-L339 VanDerWaalsContact O-N 3.11Å |
| 340 | L | 85.5 | Confident | 79.2 | Confident | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 129.1 | 174.5 | -175.9 | 63 | 0 | 0 | 0 | 109.8 | V250 S251 W266 R282 V283 L292 L329 L342 | V250-L340 VanDerWaalsContact CA-O 3.26Å; V250-L340 WeakPolarHBondContact CA-O 3.39Å; S251-L340 PolarHBondContact N-O 3.37Å; S251-L340 VanDerWaalsContact N-O 3.09Å; S251-L340 PolarHBondContact OG-N 3.23Å; W266-L340 HydrophobicContact CH2-CD2 4.49Å; W266-L340 HydrophobicContact CZ3-CD2 4.34Å; R282-L340 CarbonylContact O-C 3.47Å; R282-L340 WeakPolarHBondContact O-CA 3.41Å; V283-L340 HydrophobicContact CG2-CD1 4.22Å; L292-L340 HydrophobicContact CD1-CD2 3.91Å; L292-L340 HydrophobicContact CD2-CD1 3.67Å; L292-L340 HydrophobicContact CD2-CD2 4.36Å; L329-L340 HydrophobicContact CB-CD2 4.47Å; L329-L340 HydrophobicContact CD1-CD2 4.42Å; L329-L340 HydrophobicContact CD2-CB 4.36Å; L329-L340 HydrophobicContact CD2-CD2 3.94Å; L340-L342 HydrophobicContact CD1-CD1 4.16Å; L340-L342 HydrophobicContact CD1-CD2 3.72Å; L340-L342 HydrophobicContact CD1-CG 3.73Å; L340-L342 HydrophobicContact CD2-CD1 4.13Å; L340-L342 HydrophobicContact CD2-CG 4.32Å; L340-L342 HydrophobicContact CG-CD1 4.3Å; L340-L342 HydrophobicContact CG-CD2 4.47Å; L340-L342 HydrophobicContact CG-CG 3.94Å |
| 341 | S | 87.1 | Confident | 79.4 | Confident | 4 Ų | 4 | 44.4 Ų | 44.4 | 3% | 0.028 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 107.3 | 168.3 | -168.7 | 0 | 0 | 0 | 0 | 108.5 | R248 E281 R282 | R248-S341 WeakPolarHBondContact CD-OG 3.33Å; R248-S341 PolarHBondContact NH1-OG 2.77Å; R248-S341 VanDerWaalsContact NH1-OG 3.12Å; E281-S341 PolarHBondContact N-O 2.85Å; E281-S341 PolarHBondContact OE2-OG 3.15Å; R282-S341 PolarHBondContact N-O 3.02Å; R282-S341 PolarHBondContact O-N 2.87Å |
| 342 | L | 90.2 | Very high | 79.8 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 116.7 | 178.4 | -59.5 | -179.2 | 0 | 0 | 0 | 109.4 | R248 I249 F280 V327 L340 | R248-L342 CarbonylContact C-O 3.59Å; R248-L342 VanDerWaalsContact CA-O 3.24Å; R248-L342 WeakPolarHBondContact CA-O 3.42Å; R248-L342 WeakPolarHBondContact CG-O 3.49Å; I249-L342 HydrophobicContact CB-CB 4.47Å; I249-L342 PolarHBondContact N-O 3.45Å; I249-L342 PolarHBondContact O-N 3.35Å; F280-L342 HydrophobicContact CB-CD2 4.33Å; F280-L342 HydrophobicContact CD1-CD2 3.22Å; F280-L342 HydrophobicContact CE1-CD2 3.62Å; F280-L342 HydrophobicContact CG-CD2 3.82Å; F280-L342 HydrophobicContact CZ-CD2 4.45Å; V327-L342 HydrophobicContact CG1-CD1 3.99Å; L340-L342 HydrophobicContact CD1-CD1 4.16Å; L340-L342 HydrophobicContact CD1-CD2 3.72Å; L340-L342 HydrophobicContact CD1-CG 3.73Å; L340-L342 HydrophobicContact CD2-CD1 4.13Å; L340-L342 HydrophobicContact CD2-CG 4.32Å; L340-L342 HydrophobicContact CG-CD1 4.3Å; L340-L342 HydrophobicContact CG-CD2 4.47Å; L340-L342 HydrophobicContact CG-CG 3.94Å |
| 343 | R | 91.1 | Very high | 80.6 | Confident | 34 Ų | 34 | 38.7 Ų | 38.7 | 13% | 0.128 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 135.9 | 167.3 | 177.4 | 179.7 | 176.7 | -78.3 | -4.7 | 108.3 | G247 L278 H279 E281 E345 | G247-R343 WeakPolarHBondContact O-CA 3.4Å; L278-R343 WeakPolarHBondContact CA-O 3.39Å; H279-R343 HydrophobicContact CB-CB 4.36Å; H279-R343 PolarHBondContact N-O 3.07Å; H279-R343 PolarHBondContact O-N 2.97Å; E281-R343 HydrophobicContact CG-CB 4Å; R343-E345 IonicContact CZ-OE2 2.9Å; R343-E345 IonicContact NH1-OE2 3.19Å; R343-E345 PolarHBondContact NH1-OE2 2.68Å; R343-E345 IonicContact NH2-OE2 2.99Å; R343-E345 PolarHBondContact NH2-OE2 2.99Å |
| 344 | F | 92.5 | Very high | 81.8 | Confident | 8 Ų | 8 | 37.9 Ų | 37.9 | 4% | 0.035 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 143.2 | 175.3 | 68.2 | -99.4 | 0 | 0 | 0 | 111.2 | I241 A244 L246 G247 I249 I268 H277 L278 | I241-F344 HydrophobicContact CD1-CE1 3.6Å; I241-F344 HydrophobicContact CD1-CZ 3.64Å; I241-F344 HydrophobicContact CG2-CE2 4.3Å; I241-F344 HydrophobicContact CG2-CZ 3.93Å; A244-F344 HydrophobicContact CB-CD2 4.26Å; A244-F344 HydrophobicContact CB-CE2 3.86Å; L246-F344 CarbonylContact C-O 3.46Å; L246-F344 WeakPolarHBondContact CA-O 3.43Å; G247-F344 VanDerWaalsContact C-CE1 3.44Å; G247-F344 VanDerWaalsContact CA-CZ 3.48Å; G247-F344 PolarHBondContact N-O 2.94Å; G247-F344 PolarHBondContact O-N 3.01Å; I249-F344 HydrophobicContact CD1-CD1 4.22Å; I249-F344 HydrophobicContact CD1-CE1 4.4Å; I249-F344 HydrophobicContact CG1-CD1 4.25Å; I249-F344 HydrophobicContact CG1-CE1 4.16Å; I268-F344 HydrophobicContact CD1-CB 4.08Å; I268-F344 HydrophobicContact CD1-CD1 4.14Å; I268-F344 HydrophobicContact CD1-CG 4.1Å; I268-F344 HydrophobicContact CG2-CD2 3.98Å; I268-F344 HydrophobicContact CG2-CE2 4.2Å; I268-F344 HydrophobicContact CG2-CG 4.34Å; H277-F344 VanDerWaalsContact O-CA 3.3Å; H277-F344 WeakPolarHBondContact O-CA 3.29Å; L278-F344 HydrophobicContact CD2-CB 3.68Å |
| 345 | E | 92.4 | Very high | 83.3 | Confident | 14 Ų | 14 | 34.7 Ų | 34.7 | 7% | 0.065 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 152 | 171.9 | 62.1 | 170.7 | -106.9 | 0 | 0 | 112.4 | T245 L246 L276 H277 R343 A354 | T245-E345 CarbonylContact O-C 3.59Å; T245-E345 WeakPolarHBondContact O-CA 3.01Å; L246-E345 HydrophobicContact CD1-CB 4Å; L276-E345 CarbonylContact C-O 3.47Å; L276-E345 VanDerWaalsContact CA-O 3.32Å; L276-E345 WeakPolarHBondContact CA-O 3.38Å; H277-E345 HydrophobicContact CB-CG 4.12Å; H277-E345 PolarHBondContact N-O 3.35Å; H277-E345 PolarHBondContact O-N 3.11Å; R343-E345 IonicContact CZ-OE2 2.9Å; R343-E345 IonicContact NH1-OE2 3.19Å; R343-E345 PolarHBondContact NH1-OE2 2.68Å; R343-E345 IonicContact NH2-OE2 2.99Å; R343-E345 PolarHBondContact NH2-OE2 2.99Å; E345-A354 WeakPolarHBondContact OE1-CB 3.35Å; E345-A354 PolarHBondContact OE1-N 3.39Å |
| 346 | A | 93 | Very high | 84.9 | Confident | 10 Ų | 10 | 33.1 Ų | 33.1 | 8% | 0.083 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 111.7 | -178 | 0 | 0 | 0 | 0 | 0 | 112 | A244 T245 A270 R274 R275 L276 | A244-A346 WeakPolarHBondContact O-CB 3.4Å; T245-A346 PolarHBondContact O-N 3.19Å; A270-A346 HydrophobicContact CB-CB 3.79Å; R274-A346 PolarHBondContact NH1-O 2.74Å; R275-A346 CarbonylContact O-C 3.33Å; R275-A346 VanDerWaalsContact O-CA 3.28Å; R275-A346 WeakPolarHBondContact O-CA 3.42Å; L276-A346 HydrophobicContact CD2-CB 3.86Å |
| 347 | F | 92.3 | Very high | 86.3 | Confident | 21 Ų | 21 | 29.5 Ų | 29.5 | 9% | 0.092 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 164.1 | -176.1 | 69.8 | -77.3 | 0 | 0 | 0 | 111.4 | R274 R275 H277 I319 F353 | R274-F347 CarbonylContact C-O 3.55Å; R274-F347 WeakPolarHBondContact CA-O 3.41Å; R274-F347 WeakPolarHBondContact CB-O 3.42Å; R275-F347 HydrophobicContact CB-CD1 4.46Å; R275-F347 HydrophobicContact CB-CE1 3.89Å; R275-F347 HydrophobicContact CB-CE2 4.46Å; R275-F347 HydrophobicContact CB-CZ 3.89Å; R275-F347 PolarHBondContact N-O 2.66Å; R275-F347 PolarHBondContact O-N 3.32Å; H277-F347 HydrophobicContact CB-CD1 4.31Å; H277-F347 HydrophobicContact CB-CE1 3.99Å; I319-F347 HydrophobicContact CD1-CZ 4.49Å; I319-F347 HydrophobicContact CG2-CE1 4.32Å; I319-F347 HydrophobicContact CG2-CZ 3.88Å; F347-F353 HydrophobicContact CB-CB 4.36Å; F347-F353 HydrophobicContact CD1-CB 3.71Å; F347-F353 HydrophobicContact CD2-CB 4.18Å; F347-F353 HydrophobicContact CE1-CB 3.97Å; F347-F353 HydrophobicContact CE2-CB 4.4Å; F347-F353 HydrophobicContact CG-CB 3.83Å; F347-F353 HydrophobicContact CZ-CB 4.31Å |
| 348 | E | 90.8 | Very high | 87.5 | Confident | 63 Ų | 63 | 27.9 Ų | 27.9 | 29% | 0.294 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 154.2 | -178.1 | -64.1 | 164.8 | 174.2 | 0 | 0 | 110.5 | R274 D350 R351 | R274-E348 HydrophobicContact CG-CG 3.94Å; R274-E348 IonicContact CZ-OE1 3.81Å; R274-E348 IonicContact NE-OE1 3.27Å; R274-E348 IonicContact NH2-OE1 3.58Å; R274-E348 PolarHBondContact NH2-OE1 3Å; E348-D350 WeakPolarHBondContact CB-OD1 3.19Å; E348-D350 PolarHBondContact O-N 2.85Å; E348-D350 VanDerWaalsContact O-N 3.15Å; E348-R351 HydrophobicContact CB-CG 4.33Å; E348-R351 WeakPolarHBondContact O-CG 3.35Å; E348-R351 PolarHBondContact O-N 3.4Å; E348-R351 IonicContact OE2-CZ 3.6Å; E348-R351 VanDerWaalsContact OE2-CZ 3.29Å; E348-R351 IonicContact OE2-NE 3.88Å; E348-R351 PolarHBondContact OE2-NE 3.33Å; E348-R351 IonicContact OE2-NH2 2.7Å; E348-R351 PolarHBondContact OE2-NH2 2.64Å |
| 349 | E | 87.6 | Confident | 88.5 | Confident | 105 Ų | 105 | 31 Ų | 31 | 49% | 0.491 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -8.5 | -172.7 | -54.7 | -168.6 | 120 | 0 | 0 | 114.9 | R275 | R275-E349 HydrophobicContact CG-CG 4.21Å; R275-E349 IonicContact CZ-OE1 3.23Å; R275-E349 IonicContact NE-OE1 3.09Å; R275-E349 PolarHBondContact NE-OE1 2.82Å; R275-E349 IonicContact NH2-OE1 3.87Å; R275-E349 PolarHBondContact NH2-OE1 2.9Å |
| 350 | D | 89.6 | Confident | 89.2 | Confident | 67 Ų | 67 | 28.9 Ų | 28.9 | 36% | 0.358 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 7.5 | -178.9 | 74.5 | -44.4 | 0 | 0 | 0 | 114.2 | E348 R370 P371 | E348-D350 WeakPolarHBondContact CB-OD1 3.19Å; E348-D350 PolarHBondContact O-N 2.85Å; E348-D350 VanDerWaalsContact O-N 3.15Å; D350-R370 IonicContact OD2-CZ 2.79Å; D350-R370 IonicContact OD2-NH1 3.16Å; D350-R370 PolarHBondContact OD2-NH1 2.9Å; D350-R370 IonicContact OD2-NH2 3.9Å; D350-P371 WeakPolarHBondContact O-CD 3.25Å |
| 351 | R | 91.6 | Very high | 89.5 | Confident | 28 Ų | 28 | 33.2 Ų | 33.2 | 11% | 0.106 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -149.7 | 159.8 | -172.9 | 63.4 | -174.2 | 84.6 | -82.6 | -12.2 | 112.2 | E348 E368 Y369 R370 | E348-R351 HydrophobicContact CB-CG 4.33Å; E348-R351 WeakPolarHBondContact O-CG 3.35Å; E348-R351 PolarHBondContact O-N 3.4Å; E348-R351 IonicContact OE2-CZ 3.6Å; E348-R351 VanDerWaalsContact OE2-CZ 3.29Å; E348-R351 IonicContact OE2-NE 3.88Å; E348-R351 PolarHBondContact OE2-NE 3.33Å; E348-R351 IonicContact OE2-NH2 2.7Å; E348-R351 PolarHBondContact OE2-NH2 2.64Å; R351-E368 WeakPolarHBondContact CB-O 3.46Å; R351-E368 WeakPolarHBondContact CD-O 3.47Å; R351-E368 PolarHBondContact NH1-O 2.85Å; R351-E368 IonicContact NH1-OE2 3.7Å; R351-Y369 WeakPolarHBondContact CB-O 3.49Å; R351-R370 VanDerWaalsContact NH1-CZ 3.29Å |
| 352 | C | 92.4 | Very high | 89.7 | Confident | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.014 | 19% | 0.187 | C | C | . | . | trans | -73.8 | 155.9 | 168.3 | -64.3 | 0 | 0 | 0 | 0 | 111.1 | Y369 C396 H403 W404 | C352-Y369 PolarHBondContact N-O 3.17Å; C352-Y369 WeakPolarHBondContact O-CB 3.06Å; C352-C396 HydrophobicContact CB-CB 3.86Å; C352-C396 WeakPolarHBondContact CB-SG 3.48Å; C352-C396 WeakPolarHBondContact SG-CA 3.39Å; C352-C396 WeakPolarHBondContact SG-CB 3.43Å; C352-C396 CovalentContact SG-SG 2.04Å; C352-C396 PolarHBondContact SG-SG 2.98Å; C352-H403 PolarHBondContact SG-N 2.87Å; C352-W404 HydrophobicContact CB-CD2 4.04Å; C352-W404 VanDerWaalsContact CB-CE2 3.47Å; C352-W404 HydrophobicContact CB-CG 4.46Å; C352-W404 HydrophobicContact CB-CH2 4.32Å; C352-W404 HydrophobicContact CB-CZ2 3.61Å | ||
| 353 | F | 91.1 | Very high | 89.8 | Confident | 16 Ų | 16 | 39.2 Ų | 39.2 | 7% | 0.07 | 21% | 0.213 | C | C | . | . | trans | -69.8 | 159.1 | 171.4 | 65.4 | -96 | 0 | 0 | 0 | 111 | H277 I319 F347 P355 W404 E408 | H277-F353 HydrophobicContact CB-CB 4.13Å; H277-F353 HydrophobicContact CB-CD1 4.48Å; H277-F353 HydrophobicContact CB-CD2 4.43Å; H277-F353 HydrophobicContact CB-CG 4.11Å; H277-F353 AromaticContact CD2-CD1 3.99Å; H277-F353 AromaticContact CD2-CE1 3.83Å; H277-F353 AromaticContact CD2-CZ 3.85Å; H277-F353 AromaticContact CE1-CD2 3.73Å; H277-F353 AromaticContact CE1-CE2 3.32Å; H277-F353 WeakPolarHBondContact CE1-CE2 3.43Å; H277-F353 AromaticContact CE1-CZ 3.7Å; H277-F353 AromaticContact CG-CD2 3.86Å; H277-F353 AromaticContact CG-CG 3.9Å; H277-F353 AromaticContact ND1-CD2 3.61Å; H277-F353 AromaticContact ND1-CE2 3.72Å; H277-F353 AromaticContact NE2-CE1 3.85Å; H277-F353 AromaticContact NE2-CE2 3.55Å; H277-F353 AromaticContact NE2-CZ 3.4Å; H277-F353 WeakPolarHBondContact NE2-CZ 3.48Å; I319-F353 HydrophobicContact CD1-CD1 4.2Å; I319-F353 HydrophobicContact CD1-CE1 4.08Å; F347-F353 HydrophobicContact CB-CB 4.36Å; F347-F353 HydrophobicContact CD1-CB 3.71Å; F347-F353 HydrophobicContact CD2-CB 4.18Å; F347-F353 HydrophobicContact CE1-CB 3.97Å; F347-F353 HydrophobicContact CE2-CB 4.4Å; F347-F353 HydrophobicContact CG-CB 3.83Å; F347-F353 HydrophobicContact CZ-CB 4.31Å; F353-P355 WeakPolarHBondContact O-CD 3.4Å; F353-W404 AromaticContact CE1-CD1 3.67Å; F353-W404 AromaticContact CE2-CD1 3.9Å; F353-W404 AromaticContact CE2-NE1 3.97Å; F353-W404 AromaticContact CZ-CD1 3.54Å; F353-W404 WeakPolarHBondContact O-CZ2 3.37Å; F353-W404 PolarHBondContact O-NE1 2.76Å; F353-E408 WeakPolarHBondContact CE2-OE1 3.21Å | ||
| 354 | A | 89.7 | Confident | 89.9 | Confident | 26 Ų | 26 | 39.8 Ų | 39.8 | 22% | 0.215 | 22% | 0.22 | C | C | . | . | trans | -77.6 | 115.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | E345 Y369 | E345-A354 WeakPolarHBondContact OE1-CB 3.35Å; E345-A354 PolarHBondContact OE1-N 3.39Å; A354-Y369 HydrophobicContact CB-CD2 4.03Å; A354-Y369 HydrophobicContact CB-CE2 3.49Å; A354-Y369 VanDerWaalsContact CB-CE2 3.49Å | ||
| 355 | P | 88.8 | Confident | 90 | Very high | 8 Ų | 8 | 44.1 Ų | 44.1 | 5% | 0.052 | 25% | 0.248 | C | C | . | . | trans | -69.7 | 142.6 | -175.2 | 26.8 | -32.3 | 0 | 0 | 0 | 111.1 | F353 V362 Y369 A375 F377 I394 W404 E408 | F353-P355 WeakPolarHBondContact O-CD 3.4Å; P355-V362 HydrophobicContact CG-CG1 4.25Å; P355-Y369 HydrophobicContact CG-CE1 4.48Å; P355-A375 HydrophobicContact CG-CB 3.72Å; P355-F377 HydrophobicContact CB-CE1 4.15Å; P355-F377 HydrophobicContact CB-CZ 4.08Å; P355-F377 HydrophobicContact CG-CE1 4.46Å; P355-F377 HydrophobicContact CG-CZ 4.35Å; P355-I394 HydrophobicContact CB-CD1 4.05Å; P355-I394 HydrophobicContact CG-CD1 4.38Å; P355-W404 HydrophobicContact CG-CZ2 4.01Å; P355-E408 WeakPolarHBondContact CA-OE1 3.42Å; P355-E408 HydrophobicContact CB-CG 3.49Å; P355-E408 VanDerWaalsContact CB-CG 3.49Å | ||
| 356 | F | 83.6 | Confident | 90 | Very high | 50 Ų | 50 | 45.5 Ų | 45.5 | 22% | 0.219 | 26% | 0.255 | C | S | . | . | trans | -110.5 | 136.7 | -175.1 | 176 | -105.8 | 0 | 0 | 0 | 111.9 | H279 E281 A358 | H279-F356 AromaticContact CD2-CD1 3.67Å; H279-F356 AromaticContact NE2-CD1 3.54Å; E281-F356 HydrophobicContact CG-CE1 4.27Å; F356-A358 HydrophobicContact CE1-CB 3.98Å; F356-A358 HydrophobicContact CZ-CB 4.29Å | ||
| 357 | L | 86 | Confident | 89.9 | Confident | 12 Ų | 12 | 50 Ų | 50 | 6% | 0.063 | 28% | 0.284 | C | S | . | . | trans | -128.9 | 100.4 | 177.9 | -174 | 66.2 | 0 | 0 | 0 | 110 | H359 G360 V362 F377 S378 P409 C411 | L357-H359 PolarHBondContact O-N 3.12Å; L357-G360 PolarHBondContact O-N 3.09Å; L357-V362 HydrophobicContact CB-CG2 3.85Å; L357-F377 HydrophobicContact CB-CD1 4.25Å; L357-F377 HydrophobicContact CD1-CD1 4.36Å; L357-F377 HydrophobicContact CD2-CB 4.03Å; L357-F377 HydrophobicContact CD2-CD1 4.02Å; L357-F377 HydrophobicContact CG-CD1 4.45Å; L357-S378 WeakPolarHBondContact CD2-O 3.42Å; L357-P409 WeakPolarHBondContact CD1-O 3.35Å; L357-C411 HydrophobicContact CD1-CB 4.47Å | ||
| 358 | A | 82.6 | Confident | 89.9 | Confident | 47 Ų | 47 | 53.7 Ų | 53.7 | 39% | 0.388 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 135.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | F356 G360 C411 | F356-A358 HydrophobicContact CE1-CB 3.98Å; F356-A358 HydrophobicContact CZ-CB 4.29Å; A358-G360 PolarHBondContact O-N 2.87Å; A358-C411 WeakPolarHBondContact O-CB 3.31Å |
| 359 | H | 87.3 | Confident | 90 | Very high | 74 Ų | 74 | 52.6 Ų | 52.6 | 34% | 0.343 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 31.2 | -178.8 | -51.8 | -62.1 | 0 | 0 | 0 | 115.4 | L357 L380 Y383 C411 P432 | L357-H359 PolarHBondContact O-N 3.12Å; H359-L380 WeakPolarHBondContact O-CB 3.06Å; H359-L380 WeakPolarHBondContact O-CG 3.42Å; H359-L380 PolarHBondContact O-N 2.99Å; H359-Y383 HydrophobicContact CB-CD1 3.73Å; H359-Y383 HydrophobicContact CB-CD2 4.08Å; H359-Y383 HydrophobicContact CB-CE1 3.53Å; H359-Y383 HydrophobicContact CB-CE2 3.89Å; H359-Y383 HydrophobicContact CB-CG 4Å; H359-Y383 AromaticContact CD2-CE1 3.6Å; H359-Y383 AromaticContact CD2-CZ 3.94Å; H359-Y383 AromaticContact CG-CE1 3.49Å; H359-Y383 VanDerWaalsContact CG-CE1 3.49Å; H359-Y383 AromaticContact CG-CZ 3.47Å; H359-Y383 VanDerWaalsContact CG-CZ 3.47Å; H359-Y383 AromaticContact ND1-CZ 3.76Å; H359-Y383 PolarHBondContact ND1-OH 2.96Å; H359-C411 HydrophobicContact CB-CB 4.45Å; H359-P432 WeakPolarHBondContact NE2-CD 3.45Å |
| 360 | G | 88.7 | Confident | 90.3 | Very high | 16 Ų | 16 | 51.7 Ų | 51.7 | 17% | 0.165 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | -173.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L357 A358 S378 | L357-G360 PolarHBondContact O-N 3.09Å; A358-G360 PolarHBondContact O-N 2.87Å; G360-S378 CarbonylContact C-O 3.54Å; G360-S378 WeakPolarHBondContact CA-O 3.32Å |
| 361 | N | 90.6 | Very high | 90.6 | Very high | 93 Ų | 93 | 50.7 Ų | 50.7 | 50% | 0.497 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 142.6 | 174.5 | -58 | -65.2 | 0 | 0 | 0 | 110 | S378 | N361-S378 PolarHBondContact N-O 3.14Å; N361-S378 PolarHBondContact O-N 3.32Å; N361-S378 PolarHBondContact O-OG 3.5Å |
| 362 | V | 91.1 | Very high | 90.6 | Very high | 42 Ų | 42 | 51.7 Ų | 51.7 | 26% | 0.255 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 135.5 | 172.3 | -172.4 | 0 | 0 | 0 | 0 | 109.3 | P355 L357 A375 T376 F377 | P355-V362 HydrophobicContact CG-CG1 4.25Å; L357-V362 HydrophobicContact CB-CG2 3.85Å; V362-A375 HydrophobicContact CG1-CB 4.07Å; V362-T376 WeakPolarHBondContact CA-O 2.88Å; V362-F377 HydrophobicContact CG1-CD1 4.43Å; V362-F377 HydrophobicContact CG1-CE1 4.23Å; V362-F377 HydrophobicContact CG2-CD1 3.86Å; V362-F377 HydrophobicContact CG2-CE1 3.9Å |
| 363 | T | 93.1 | Very high | 90.7 | Very high | 88 Ų | 88 | 51.7 Ų | 51.7 | 54% | 0.54 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 135.2 | 169.5 | 40.7 | 0 | 0 | 0 | 0 | 110.7 | T376 | T363-T376 PolarHBondContact N-O 2.91Å; T363-T376 PolarHBondContact O-N 2.87Å; T363-T376 PolarHBondContact O-OG1 3.07Å; T363-T376 PolarHBondContact OG1-OG1 3.11Å |
| 364 | T | 93.6 | Very high | 90.9 | Very high | 45 Ų | 45 | 54 Ų | 54 | 28% | 0.276 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 152.4 | -173.5 | 179.1 | 0 | 0 | 0 | 0 | 112.5 | D366 Y369 L374 | T364-D366 VanDerWaalsContact CG2-O 3.28Å; T364-D366 WeakPolarHBondContact CG2-O 3.41Å; T364-D366 PolarHBondContact OG1-N 3.2Å; T364-D366 PolarHBondContact OG1-O 3.04Å; T364-Y369 HydrophobicContact CG2-CE1 3.8Å; T364-L374 WeakPolarHBondContact CA-O 3.35Å |
| 365 | T | 94.1 | Very high | 91.1 | Very high | 100 Ų | 100 | 52.8 Ų | 52.8 | 61% | 0.613 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -75.3 | -23.8 | 170.1 | 55.6 | 0 | 0 | 0 | 0 | 113.5 | L374 | T365-L374 HydrophobicContact CG2-CB 4.06Å; T365-L374 PolarHBondContact N-O 3.35Å; T365-L374 VanDerWaalsContact N-O 3.1Å; T365-L374 PolarHBondContact OG1-N 3.3Å |
| 366 | D | 93.2 | Very high | 91.3 | Very high | 42 Ų | 42 | 54.3 Ų | 54.3 | 23% | 0.225 | 32% | 0.315 | C | S | . | . | trans | -137.4 | 118.4 | 175.2 | -177.5 | -4.8 | 0 | 0 | 0 | 109.5 | T364 E368 Y369 R370 A373 | T364-D366 VanDerWaalsContact CG2-O 3.28Å; T364-D366 WeakPolarHBondContact CG2-O 3.41Å; T364-D366 PolarHBondContact OG1-N 3.2Å; T364-D366 PolarHBondContact OG1-O 3.04Å; D366-E368 PolarHBondContact O-N 2.77Å; D366-E368 WeakPolarHBondContact OD1-CB 3.18Å; D366-E368 PolarHBondContact OD1-N 3.35Å; D366-Y369 PolarHBondContact O-N 2.79Å; D366-R370 WeakPolarHBondContact OD2-CB 3.5Å; D366-R370 WeakPolarHBondContact OD2-CG 3.42Å; D366-A373 HydrophobicContact CB-CB 3.94Å | ||
| 367 | P | 90.9 | Very high | 91.6 | Very high | 106 Ų | 106 | 52.2 Ų | 52.2 | 69% | 0.688 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -13.1 | 177.9 | 31.1 | -37.1 | 0 | 0 | 0 | 113.8 | ||
| 368 | E | 90.7 | Very high | 91.9 | Very high | 98 Ų | 98 | 54.1 Ų | 54.1 | 46% | 0.458 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 5.6 | 174.5 | -60.8 | -168.9 | 170.3 | 0 | 0 | 113.2 | R351 D366 R370 | R351-E368 WeakPolarHBondContact CB-O 3.46Å; R351-E368 WeakPolarHBondContact CD-O 3.47Å; R351-E368 PolarHBondContact NH1-O 2.85Å; R351-E368 IonicContact NH1-OE2 3.7Å; D366-E368 PolarHBondContact O-N 2.77Å; D366-E368 WeakPolarHBondContact OD1-CB 3.18Å; D366-E368 PolarHBondContact OD1-N 3.35Å; E368-R370 HydrophobicContact CB-CG 4.13Å; E368-R370 PolarHBondContact O-N 3.04Å; E368-R370 VanDerWaalsContact O-N 3.1Å; E368-R370 IonicContact OE2-CZ 2.98Å; E368-R370 IonicContact OE2-NE 3.97Å; E368-R370 PolarHBondContact OE2-NE 3.42Å; E368-R370 IonicContact OE2-NH2 2.77Å; E368-R370 PolarHBondContact OE2-NH2 3.24Å |
| 369 | Y | 93.4 | Very high | 92.3 | Very high | 40 Ų | 40 | 53.3 Ų | 53.3 | 16% | 0.157 | 31% | 0.311 | C | S | . | . | trans | 47.9 | 38.6 | 174.1 | -59.2 | -68.1 | 0 | 0 | 0 | 115.2 | R351 C352 A354 P355 T364 D366 A375 C396 W404 | R351-Y369 WeakPolarHBondContact CB-O 3.49Å; C352-Y369 PolarHBondContact N-O 3.17Å; C352-Y369 WeakPolarHBondContact O-CB 3.06Å; A354-Y369 HydrophobicContact CB-CD2 4.03Å; A354-Y369 HydrophobicContact CB-CE2 3.49Å; A354-Y369 VanDerWaalsContact CB-CE2 3.49Å; P355-Y369 HydrophobicContact CG-CE1 4.48Å; T364-Y369 HydrophobicContact CG2-CE1 3.8Å; D366-Y369 PolarHBondContact O-N 2.79Å; Y369-A375 HydrophobicContact CE1-CB 4.47Å; Y369-C396 PolarHBondContact O-SG 2.93Å; Y369-C396 VanDerWaalsContact O-SG 3.34Å; Y369-W404 AromaticContact CD1-CH2 3.78Å; Y369-W404 HydrophobicContact CD1-CH2 3.78Å; Y369-W404 AromaticContact CD1-CZ2 3.81Å; Y369-W404 HydrophobicContact CD1-CZ2 3.81Å; Y369-W404 HydrophobicContact CE1-CH2 4.46Å; Y369-W404 HydrophobicContact CE1-CZ2 4.46Å; Y369-W404 HydrophobicContact CG-CZ2 4.27Å | ||
| 370 | R | 94.3 | Very high | 92.6 | Very high | 85 Ų | 85 | 53.1 Ų | 53.1 | 32% | 0.321 | 31% | 0.312 | S | S | . | . | trans | -70.1 | 160.5 | 179.4 | -60.5 | -178.7 | 169 | -70.1 | -8.5 | 111.4 | D350 R351 D366 E368 G372 A373 | D350-R370 IonicContact OD2-CZ 2.79Å; D350-R370 IonicContact OD2-NH1 3.16Å; D350-R370 PolarHBondContact OD2-NH1 2.9Å; D350-R370 IonicContact OD2-NH2 3.9Å; R351-R370 VanDerWaalsContact NH1-CZ 3.29Å; D366-R370 WeakPolarHBondContact OD2-CB 3.5Å; D366-R370 WeakPolarHBondContact OD2-CG 3.42Å; E368-R370 HydrophobicContact CB-CG 4.13Å; E368-R370 PolarHBondContact O-N 3.04Å; E368-R370 VanDerWaalsContact O-N 3.1Å; E368-R370 IonicContact OE2-CZ 2.98Å; E368-R370 IonicContact OE2-NE 3.97Å; E368-R370 PolarHBondContact OE2-NE 3.42Å; E368-R370 IonicContact OE2-NH2 2.77Å; E368-R370 PolarHBondContact OE2-NH2 3.24Å; R370-G372 PolarHBondContact O-N 3.05Å; R370-A373 WeakPolarHBondContact O-CB 3.12Å; R370-A373 PolarHBondContact O-N 2.04Å | ||
| 371 | P | 95.1 | Very high | 92.6 | Very high | 47 Ų | 47 | 56.7 Ų | 56.7 | 31% | 0.305 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | 124.8 | 173.1 | -29 | 36.1 | 0 | 0 | 0 | 112.5 | D350 C396 P399 P402 | D350-P371 WeakPolarHBondContact O-CD 3.25Å; P371-C396 CarbonylContact C-O 3.57Å; P371-C396 WeakPolarHBondContact CA-O 3.39Å; P371-P399 HydrophobicContact CB-CB 4.35Å; P371-P399 HydrophobicContact CB-CG 4.26Å; P371-P402 HydrophobicContact CG-CB 4.16Å; P371-P402 HydrophobicContact CG-CG 3.93Å |
| 372 | G | 92.7 | Very high | 92.6 | Very high | 49 Ų | 49 | 53.7 Ų | 53.7 | 51% | 0.505 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.5 | -1.2 | -168.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | R370 C396 | R370-G372 PolarHBondContact O-N 3.05Å; G372-C396 PolarHBondContact N-O 2.89Å |
| 373 | A | 94.9 | Very high | 92.5 | Very high | 2 Ų | 2 | 53.3 Ų | 53.3 | 2% | 0.017 | 32% | 0.318 | C | S | . | . | trans | -71.3 | 138.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | D366 R370 E395 C396 | D366-A373 HydrophobicContact CB-CB 3.94Å; R370-A373 WeakPolarHBondContact O-CB 3.12Å; R370-A373 PolarHBondContact O-N 2.04Å; A373-E395 CarbonylContact O-C 3.56Å; A373-E395 WeakPolarHBondContact O-CA 3.37Å; A373-C396 HydrophobicContact CB-CB 4.28Å; A373-C396 PolarHBondContact O-N 3.2Å | ||
| 374 | L | 94.6 | Very high | 92.3 | Very high | 65 Ų | 65 | 51.1 Ų | 51.1 | 34% | 0.34 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 114.5 | 176.8 | -176.4 | 79.2 | 0 | 0 | 0 | 109 | T364 T365 T376 A393 I394 E395 | T364-L374 WeakPolarHBondContact CA-O 3.35Å; T365-L374 HydrophobicContact CG2-CB 4.06Å; T365-L374 PolarHBondContact N-O 3.35Å; T365-L374 VanDerWaalsContact N-O 3.1Å; T365-L374 PolarHBondContact OG1-N 3.3Å; L374-T376 HydrophobicContact CD2-CG2 4.16Å; L374-T376 HydrophobicContact CG-CG2 4.31Å; L374-A393 HydrophobicContact CD1-CB 3.99Å; L374-A393 HydrophobicContact CG-CB 4.22Å; L374-I394 CarbonylContact C-O 3.54Å; L374-I394 WeakPolarHBondContact CA-O 3.29Å; L374-E395 HydrophobicContact CD1-CB 4.22Å |
| 375 | A | 93.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 125.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | P355 V362 Y369 A393 I394 W404 | P355-A375 HydrophobicContact CG-CB 3.72Å; V362-A375 HydrophobicContact CG1-CB 4.07Å; Y369-A375 HydrophobicContact CE1-CB 4.47Å; A375-A393 CarbonylContact O-C 3.58Å; A375-A393 WeakPolarHBondContact O-CA 3.05Å; A375-A393 WeakPolarHBondContact O-CB 3.34Å; A375-I394 HydrophobicContact CB-CG1 4.13Å; A375-I394 PolarHBondContact N-O 3.49Å; A375-I394 PolarHBondContact O-N 2.74Å; A375-W404 HydrophobicContact CB-CH2 3.9Å; A375-W404 HydrophobicContact CB-CZ3 4.17Å |
| 376 | T | 92.6 | Very high | 91.7 | Very high | 39 Ų | 39 | 49.7 Ų | 49.7 | 24% | 0.239 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 139.1 | -175.2 | 57.6 | 0 | 0 | 0 | 0 | 110.3 | V362 T363 L374 A393 | V362-T376 WeakPolarHBondContact CA-O 2.88Å; T363-T376 PolarHBondContact N-O 2.91Å; T363-T376 PolarHBondContact O-N 2.87Å; T363-T376 PolarHBondContact O-OG1 3.07Å; T363-T376 PolarHBondContact OG1-OG1 3.11Å; L374-T376 HydrophobicContact CD2-CG2 4.16Å; L374-T376 HydrophobicContact CG-CG2 4.31Å; T376-A393 HydrophobicContact CG2-CB 3.78Å |
| 377 | F | 91.8 | Very high | 90.9 | Very high | 6 Ų | 6 | 52.4 Ų | 52.4 | 3% | 0.026 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 142.2 | -170 | -58.9 | -79.5 | 0 | 0 | 0 | 112.4 | P355 L357 V362 L385 N392 I394 E408 P409 | P355-F377 HydrophobicContact CB-CE1 4.15Å; P355-F377 HydrophobicContact CB-CZ 4.08Å; P355-F377 HydrophobicContact CG-CE1 4.46Å; P355-F377 HydrophobicContact CG-CZ 4.35Å; L357-F377 HydrophobicContact CB-CD1 4.25Å; L357-F377 HydrophobicContact CD1-CD1 4.36Å; L357-F377 HydrophobicContact CD2-CB 4.03Å; L357-F377 HydrophobicContact CD2-CD1 4.02Å; L357-F377 HydrophobicContact CG-CD1 4.45Å; V362-F377 HydrophobicContact CG1-CD1 4.43Å; V362-F377 HydrophobicContact CG1-CE1 4.23Å; V362-F377 HydrophobicContact CG2-CD1 3.86Å; V362-F377 HydrophobicContact CG2-CE1 3.9Å; F377-L385 HydrophobicContact CB-CD2 4.14Å; F377-N392 PolarHBondContact N-O 2.87Å; F377-I394 HydrophobicContact CE2-CB 4.4Å; F377-I394 HydrophobicContact CE2-CD1 4.1Å; F377-I394 HydrophobicContact CE2-CG1 3.77Å; F377-I394 HydrophobicContact CE2-CG2 4.13Å; F377-I394 HydrophobicContact CZ-CD1 3.72Å; F377-I394 HydrophobicContact CZ-CG1 3.81Å; F377-E408 HydrophobicContact CE1-CB 4.34Å; F377-E408 HydrophobicContact CE1-CG 4.11Å; F377-E408 HydrophobicContact CZ-CB 4.27Å; F377-E408 HydrophobicContact CZ-CG 3.95Å; F377-P409 HydrophobicContact CB-CG 3.8Å; F377-P409 HydrophobicContact CD1-CG 4.2Å; F377-P409 VanDerWaalsContact CD2-CD 3.43Å; F377-P409 HydrophobicContact CD2-CG 3.63Å; F377-P409 HydrophobicContact CE2-CG 4.24Å; F377-P409 HydrophobicContact CG-CG 3.6Å |
| 378 | S | 91.3 | Very high | 89.8 | Confident | 52 Ų | 52 | 52.8 Ų | 52.8 | 36% | 0.364 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 138 | 173.5 | 59.9 | 0 | 0 | 0 | 0 | 111.1 | L357 G360 N361 | L357-S378 WeakPolarHBondContact CD2-O 3.42Å; G360-S378 CarbonylContact C-O 3.54Å; G360-S378 WeakPolarHBondContact CA-O 3.32Å; N361-S378 PolarHBondContact N-O 3.14Å; N361-S378 PolarHBondContact O-N 3.32Å; N361-S378 PolarHBondContact O-OG 3.5Å |
| 379 | C | 91.7 | Very high | 88.5 | Confident | 30 Ų | 30 | 50.1 Ų | 50.1 | 20% | 0.203 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 158 | -179.2 | -61.8 | 0 | 0 | 0 | 0 | 113.1 | Y383 L385 C411 | C379-Y383 WeakPolarHBondContact CB-O 3.5Å; C379-L385 WeakPolarHBondContact SG-CD2 3.35Å; C379-L385 PolarHBondContact SG-N 2.99Å; C379-C411 WeakPolarHBondContact CA-SG 3.06Å; C379-C411 HydrophobicContact CB-CB 3.89Å; C379-C411 WeakPolarHBondContact CB-SG 3.15Å; C379-C411 WeakPolarHBondContact SG-CB 3.37Å; C379-C411 CovalentContact SG-SG 2.04Å; C379-C411 PolarHBondContact SG-SG 3.37Å |
| 380 | L | 92 | Very high | 87.2 | Confident | 70 Ų | 70 | 54 Ų | 54 | 37% | 0.366 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 156.9 | 169.2 | -66 | 176.4 | 0 | 0 | 0 | 111.3 | H359 G382 Y383 | H359-L380 WeakPolarHBondContact O-CB 3.06Å; H359-L380 WeakPolarHBondContact O-CG 3.42Å; H359-L380 PolarHBondContact O-N 2.99Å; L380-G382 PolarHBondContact O-N 2.87Å; L380-Y383 HydrophobicContact CB-CD2 4.22Å; L380-Y383 PolarHBondContact O-N 2.84Å |
| 381 | P | 90.6 | Very high | 85.9 | Confident | 92 Ų | 92 | 54 Ų | 54 | 60% | 0.597 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 129.1 | 179 | -27.7 | 36 | 0 | 0 | 0 | 113.2 | V425 | P381-V425 HydrophobicContact CB-CG2 4.13Š|
| 382 | G | 88.9 | Confident | 85.3 | Confident | 29 Ų | 29 | 55.8 Ų | 55.8 | 30% | 0.299 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.4 | -8.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115 | L380 V425 | L380-G382 PolarHBondContact O-N 2.87Å; G382-V425 WeakPolarHBondContact CA-O 3.48Å |
| 383 | Y | 90.6 | Very high | 85.2 | Confident | 35 Ų | 35 | 54.3 Ų | 54.3 | 14% | 0.137 | 35% | 0.345 | C | S | . | . | trans | -113.4 | 152.6 | 174.2 | -59.5 | -102.4 | 0 | 0 | 0 | 111 | H359 C379 L380 K412 A413 L427 W431 | H359-Y383 HydrophobicContact CB-CD1 3.73Å; H359-Y383 HydrophobicContact CB-CD2 4.08Å; H359-Y383 HydrophobicContact CB-CE1 3.53Å; H359-Y383 HydrophobicContact CB-CE2 3.89Å; H359-Y383 HydrophobicContact CB-CG 4Å; H359-Y383 AromaticContact CD2-CE1 3.6Å; H359-Y383 AromaticContact CD2-CZ 3.94Å; H359-Y383 AromaticContact CG-CE1 3.49Å; H359-Y383 VanDerWaalsContact CG-CE1 3.49Å; H359-Y383 AromaticContact CG-CZ 3.47Å; H359-Y383 VanDerWaalsContact CG-CZ 3.47Å; H359-Y383 AromaticContact ND1-CZ 3.76Å; H359-Y383 PolarHBondContact ND1-OH 2.96Å; C379-Y383 WeakPolarHBondContact CB-O 3.5Å; L380-Y383 HydrophobicContact CB-CD2 4.22Å; L380-Y383 PolarHBondContact O-N 2.84Å; Y383-K412 WeakPolarHBondContact CA-O 3.49Å; Y383-A413 HydrophobicContact CD1-CB 4.49Å; Y383-L427 HydrophobicContact CD2-CD1 3.82Å; Y383-L427 HydrophobicContact CE1-CD1 4.27Å; Y383-L427 HydrophobicContact CE2-CD1 3.44Å; Y383-L427 VanDerWaalsContact CE2-CD1 3.44Å; Y383-L427 HydrophobicContact CG-CD1 4.38Å; Y383-W431 VanDerWaalsContact CE1-O 3.31Å; Y383-W431 WeakPolarHBondContact CE1-O 3.05Å | ||
| 384 | A | 88.9 | Confident | 85 | Confident | 41 Ų | 41 | 54.4 Ų | 54.4 | 34% | 0.339 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 158.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | C411 K412 M414 | A384-C411 WeakPolarHBondContact O-CA 3.38Å; A384-K412 PolarHBondContact N-O 2.54Å; A384-K412 PolarHBondContact O-N 2.83Å; A384-M414 HydrophobicContact CB-CG 3.76Å |
| 385 | L | 88.4 | Confident | 84.9 | Confident | 38 Ų | 38 | 55.3 Ų | 55.3 | 20% | 0.199 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 133.3 | 178.6 | -68.1 | 170.3 | 0 | 0 | 0 | 111 | F377 C379 P387 N392 P409 A410 | F377-L385 HydrophobicContact CB-CD2 4.14Å; C379-L385 WeakPolarHBondContact SG-CD2 3.35Å; C379-L385 PolarHBondContact SG-N 2.99Å; L385-P387 CarbonylContact O-C 3.54Å; L385-N392 HydrophobicContact CD1-CB 3.96Å; L385-P409 HydrophobicContact CD2-CB 4.02Å; L385-P409 HydrophobicContact CD2-CG 3.79Å; L385-A410 CarbonylContact C-O 3.56Å; L385-A410 WeakPolarHBondContact CA-O 3.16Å |
| 386 | E | 85.2 | Confident | 85 | Confident | 77 Ų | 77 | 55.3 Ų | 55.3 | 36% | 0.36 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 130.5 | 168.8 | -170.4 | -179.3 | -144.7 | 0 | 0 | 109.3 | A410 K412 | E386-A410 PolarHBondContact N-O 3.18Å; E386-A410 PolarHBondContact O-N 2.72Å; E386-K412 WeakPolarHBondContact OE2-CD 3.04Å; E386-K412 WeakPolarHBondContact OE2-CE 3.38Å; E386-K412 IonicContact OE2-NZ 3.61Å; E386-K412 PolarHBondContact OE2-NZ 2.98Å |
| 387 | P | 77.2 | Confident | 85 | Confident | 100 Ų | 100 | 55.4 Ų | 55.4 | 65% | 0.649 | 35% | 0.348 | S | S | * | . | S | Bend | cis | -68.9 | 148.3 | -3.1 | 30 | -35.8 | 0 | 0 | 0 | 112.9 | L385 G389 | L385-P387 CarbonylContact O-C 3.54Å; P387-G389 PolarHBondContact O-N 3.38Å |
| 388 | P | 67.4 | Low | 85 | Confident | 113 Ų | 113 | 58.3 Ų | 58.3 | 73% | 0.734 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -75.7 | 88.1 | -177 | 30.2 | -35.5 | 0 | 0 | 0 | 112.1 | ||
| 389 | G | 63.1 | Low | 84.9 | Confident | 42 Ų | 42 | 61.2 Ų | 61.2 | 43% | 0.433 | 38% | 0.381 | S | S | . | . | S | Bend | trans | 174.3 | 175.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | P387 | P387-G389 PolarHBondContact O-N 3.38Š|
| 390 | P | 67.2 | Low | 84.8 | Confident | 121 Ų | 121 | 66 Ų | 66 | 79% | 0.786 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -73.4 | 150.6 | 165.4 | 32.1 | -33.5 | 0 | 0 | 0 | 110.8 | ||
| 391 | P | 66.4 | Low | 84.6 | Confident | 87 Ų | 87 | 68.9 Ų | 68.9 | 57% | 0.565 | 42% | 0.421 | S | S | * | . | cis | -83.8 | 126.7 | 7.9 | 33.7 | -34.6 | 0 | 0 | 0 | 112.9 | A393 | P391-A393 PolarHBondContact O-N 3.24Å; P391-A393 VanDerWaalsContact O-N 3.17Å | ||
| 392 | N | 83.1 | Confident | 84.6 | Confident | 84 Ų | 84 | 65.7 Ų | 65.7 | 45% | 0.449 | 40% | 0.401 | S | S | . | . | trans | -83.8 | 29.3 | 168.8 | 68.5 | -53.2 | 0 | 0 | 0 | 111.6 | F377 L385 | F377-N392 PolarHBondContact N-O 2.87Å; L385-N392 HydrophobicContact CD1-CB 3.96Å | ||
| 393 | A | 89.8 | Confident | 84.7 | Confident | 17 Ų | 17 | 68.6 Ų | 68.6 | 14% | 0.14 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161 | 145.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L374 A375 T376 P391 | L374-A393 HydrophobicContact CD1-CB 3.99Å; L374-A393 HydrophobicContact CG-CB 4.22Å; A375-A393 CarbonylContact O-C 3.58Å; A375-A393 WeakPolarHBondContact O-CA 3.05Å; A375-A393 WeakPolarHBondContact O-CB 3.34Å; T376-A393 HydrophobicContact CG2-CB 3.78Å; P391-A393 PolarHBondContact O-N 3.24Å; P391-A393 VanDerWaalsContact O-N 3.17Å |
| 394 | I | 91.1 | Very high | 84.7 | Confident | 4 Ų | 4 | 67.4 Ų | 67.4 | 2% | 0.021 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 149.9 | 175.2 | 60.4 | -179.8 | 0 | 0 | 0 | 110.9 | P355 L374 A375 F377 W404 N405 D406 E408 | P355-I394 HydrophobicContact CB-CD1 4.05Å; P355-I394 HydrophobicContact CG-CD1 4.38Å; L374-I394 CarbonylContact C-O 3.54Å; L374-I394 WeakPolarHBondContact CA-O 3.29Å; A375-I394 HydrophobicContact CB-CG1 4.13Å; A375-I394 PolarHBondContact N-O 3.49Å; A375-I394 PolarHBondContact O-N 2.74Å; F377-I394 HydrophobicContact CE2-CB 4.4Å; F377-I394 HydrophobicContact CE2-CD1 4.1Å; F377-I394 HydrophobicContact CE2-CG1 3.77Å; F377-I394 HydrophobicContact CE2-CG2 4.13Å; F377-I394 HydrophobicContact CZ-CD1 3.72Å; F377-I394 HydrophobicContact CZ-CG1 3.81Å; I394-W404 HydrophobicContact CB-CE3 4Å; I394-W404 HydrophobicContact CD1-CB 4.07Å; I394-W404 HydrophobicContact CD1-CD2 3.56Å; I394-W404 HydrophobicContact CD1-CE3 3.7Å; I394-W404 HydrophobicContact CD1-CG 3.71Å; I394-W404 HydrophobicContact CD1-CZ3 4.37Å; I394-W404 HydrophobicContact CG1-CD2 3.92Å; I394-W404 HydrophobicContact CG1-CE3 3.48Å; I394-W404 VanDerWaalsContact CG1-CE3 3.48Å; I394-W404 HydrophobicContact CG1-CG 4.46Å; I394-W404 HydrophobicContact CG1-CZ3 3.87Å; I394-W404 WeakPolarHBondContact O-CZ3 3.35Å; I394-N405 WeakPolarHBondContact CA-OD1 3.05Å; I394-D406 HydrophobicContact CG2-CB 3.97Å; I394-E408 HydrophobicContact CD1-CG 4.23Å |
| 395 | E | 92.8 | Very high | 84.8 | Confident | 85 Ų | 85 | 69 Ų | 69 | 40% | 0.397 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 133.9 | -178.5 | -170.6 | -179.3 | 176.1 | 0 | 0 | 110.3 | A373 L374 V397 N405 | A373-E395 CarbonylContact O-C 3.56Å; A373-E395 WeakPolarHBondContact O-CA 3.37Å; L374-E395 HydrophobicContact CD1-CB 4.22Å; E395-V397 HydrophobicContact CB-CG1 4.33Å; E395-V397 HydrophobicContact CG-CG1 4.17Å; E395-V397 PolarHBondContact O-N 3.48Å; E395-N405 PolarHBondContact N-OD1 3.18Å; E395-N405 PolarHBondContact O-N 2.68Å; E395-N405 PolarHBondContact O-OD1 3.31Å |
| 396 | C | 94.5 | Very high | 84.7 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 108.2 | 174.2 | -176.9 | 0 | 0 | 0 | 0 | 108.3 | C352 Y369 P371 G372 A373 W404 | C352-C396 HydrophobicContact CB-CB 3.86Å; C352-C396 WeakPolarHBondContact CB-SG 3.48Å; C352-C396 WeakPolarHBondContact SG-CA 3.39Å; C352-C396 WeakPolarHBondContact SG-CB 3.43Å; C352-C396 CovalentContact SG-SG 2.04Å; C352-C396 PolarHBondContact SG-SG 2.98Å; Y369-C396 PolarHBondContact O-SG 2.93Å; Y369-C396 VanDerWaalsContact O-SG 3.34Å; P371-C396 CarbonylContact C-O 3.57Å; P371-C396 WeakPolarHBondContact CA-O 3.39Å; G372-C396 PolarHBondContact N-O 2.89Å; A373-C396 HydrophobicContact CB-CB 4.28Å; A373-C396 PolarHBondContact O-N 3.2Å; C396-W404 HydrophobicContact CB-CE3 4.04Å; C396-W404 HydrophobicContact CB-CH2 4Å; C396-W404 HydrophobicContact CB-CZ3 3.71Å |
| 397 | V | 93.7 | Very high | 84.6 | Confident | 41 Ų | 41 | 68.8 Ų | 68.8 | 25% | 0.248 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 167.7 | -173.9 | -66.4 | 0 | 0 | 0 | 0 | 111.9 | E395 P402 H403 N405 | E395-V397 HydrophobicContact CB-CG1 4.33Å; E395-V397 HydrophobicContact CG-CG1 4.17Å; E395-V397 PolarHBondContact O-N 3.48Å; V397-P402 WeakPolarHBondContact O-CA 3.25Å; V397-H403 VanDerWaalsContact CG2-O 3.28Å; V397-H403 WeakPolarHBondContact CG2-O 3.4Å; V397-H403 PolarHBondContact N-O 2.97Å; V397-H403 PolarHBondContact O-N 2.81Å; V397-N405 HydrophobicContact CG1-CB 4Å; V397-N405 HydrophobicContact CG2-CB 3.92Å |
| 398 | D | 90.6 | Very high | 84.9 | Confident | 66 Ų | 66 | 65.2 Ų | 65.2 | 35% | 0.353 | 38% | 0.382 | S | S | . | . | trans | 61 | 104 | -175.3 | -156.6 | -59 | 0 | 0 | 0 | 115.4 | T400 E401 P402 | D398-T400 PolarHBondContact O-N 3.31Å; D398-T400 VanDerWaalsContact O-N 3.13Å; D398-T400 WeakPolarHBondContact OD1-CA 3.01Å; D398-T400 WeakPolarHBondContact OD1-CB 3.24Å; D398-T400 PolarHBondContact OD1-N 3.05Å; D398-T400 PolarHBondContact OD1-OG1 2.92Å; D398-E401 CarbonylContact O-C 3.59Å; D398-E401 PolarHBondContact OD1-N 2.63Å; D398-P402 WeakPolarHBondContact O-CA 3.39Å | ||
| 399 | P | 90.3 | Very high | 85.9 | Confident | 113 Ų | 113 | 60.8 Ų | 60.8 | 73% | 0.734 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -70.2 | 0.3 | 176.2 | -20.7 | 34.1 | 0 | 0 | 0 | 116.2 | P371 | P371-P399 HydrophobicContact CB-CB 4.35Å; P371-P399 HydrophobicContact CB-CG 4.26Å |
| 400 | T | 89.3 | Confident | 86.9 | Confident | 130 Ų | 130 | 60.8 Ų | 60.8 | 80% | 0.798 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -114.2 | -27.2 | 179.9 | 57.9 | 0 | 0 | 0 | 0 | 113.7 | D398 | D398-T400 PolarHBondContact O-N 3.31Å; D398-T400 VanDerWaalsContact O-N 3.13Å; D398-T400 WeakPolarHBondContact OD1-CA 3.01Å; D398-T400 WeakPolarHBondContact OD1-CB 3.24Å; D398-T400 PolarHBondContact OD1-N 3.05Å; D398-T400 PolarHBondContact OD1-OG1 2.92Å |
| 401 | E | 88.1 | Confident | 88 | Confident | 131 Ų | 131 | 55.5 Ų | 55.5 | 61% | 0.612 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -139.7 | 80.1 | 169.5 | -174.2 | 159.2 | -143.7 | 0 | 0 | 109.6 | D398 H403 | D398-E401 CarbonylContact O-C 3.59Å; D398-E401 PolarHBondContact OD1-N 2.63Å; E401-H403 PolarHBondContact O-N 3.29Å; E401-H403 PolarHBondContact O-ND1 3.04Å |
| 402 | P | 91 | Very high | 89 | Confident | 26 Ų | 26 | 55.9 Ų | 55.9 | 17% | 0.169 | 31% | 0.308 | C | S | . | . | trans | -60 | 121.2 | -169.3 | -27.3 | 37 | 0 | 0 | 0 | 113.8 | P371 V397 D398 | P371-P402 HydrophobicContact CG-CB 4.16Å; P371-P402 HydrophobicContact CG-CG 3.93Å; V397-P402 WeakPolarHBondContact O-CA 3.25Å; D398-P402 WeakPolarHBondContact O-CA 3.39Å | ||
| 403 | H | 89.8 | Confident | 89.4 | Confident | 90 Ų | 90 | 52.1 Ų | 52.1 | 42% | 0.417 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 156.3 | 178.8 | 61.3 | -83.2 | 0 | 0 | 0 | 112.5 | C352 V397 E401 | C352-H403 PolarHBondContact SG-N 2.87Å; V397-H403 VanDerWaalsContact CG2-O 3.28Å; V397-H403 WeakPolarHBondContact CG2-O 3.4Å; V397-H403 PolarHBondContact N-O 2.97Å; V397-H403 PolarHBondContact O-N 2.81Å; E401-H403 PolarHBondContact O-N 3.29Å; E401-H403 PolarHBondContact O-ND1 3.04Å |
| 404 | W | 90.8 | Very high | 89.3 | Confident | 9 Ų | 9 | 54.9 Ų | 54.9 | 3% | 0.034 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 133.8 | 173.1 | -67.3 | 117.5 | 0 | 0 | 0 | 111.1 | C352 F353 P355 Y369 A375 I394 C396 D406 | C352-W404 HydrophobicContact CB-CD2 4.04Å; C352-W404 VanDerWaalsContact CB-CE2 3.47Å; C352-W404 HydrophobicContact CB-CG 4.46Å; C352-W404 HydrophobicContact CB-CH2 4.32Å; C352-W404 HydrophobicContact CB-CZ2 3.61Å; F353-W404 AromaticContact CE1-CD1 3.67Å; F353-W404 AromaticContact CE2-CD1 3.9Å; F353-W404 AromaticContact CE2-NE1 3.97Å; F353-W404 AromaticContact CZ-CD1 3.54Å; F353-W404 WeakPolarHBondContact O-CZ2 3.37Å; F353-W404 PolarHBondContact O-NE1 2.76Å; P355-W404 HydrophobicContact CG-CZ2 4.01Å; Y369-W404 AromaticContact CD1-CH2 3.78Å; Y369-W404 HydrophobicContact CD1-CH2 3.78Å; Y369-W404 AromaticContact CD1-CZ2 3.81Å; Y369-W404 HydrophobicContact CD1-CZ2 3.81Å; Y369-W404 HydrophobicContact CE1-CH2 4.46Å; Y369-W404 HydrophobicContact CE1-CZ2 4.46Å; Y369-W404 HydrophobicContact CG-CZ2 4.27Å; A375-W404 HydrophobicContact CB-CH2 3.9Å; A375-W404 HydrophobicContact CB-CZ3 4.17Å; I394-W404 HydrophobicContact CB-CE3 4Å; I394-W404 HydrophobicContact CD1-CB 4.07Å; I394-W404 HydrophobicContact CD1-CD2 3.56Å; I394-W404 HydrophobicContact CD1-CE3 3.7Å; I394-W404 HydrophobicContact CD1-CG 3.71Å; I394-W404 HydrophobicContact CD1-CZ3 4.37Å; I394-W404 HydrophobicContact CG1-CD2 3.92Å; I394-W404 HydrophobicContact CG1-CE3 3.48Å; I394-W404 VanDerWaalsContact CG1-CE3 3.48Å; I394-W404 HydrophobicContact CG1-CG 4.46Å; I394-W404 HydrophobicContact CG1-CZ3 3.87Å; I394-W404 WeakPolarHBondContact O-CZ3 3.35Å; C396-W404 HydrophobicContact CB-CE3 4.04Å; C396-W404 HydrophobicContact CB-CH2 4Å; C396-W404 HydrophobicContact CB-CZ3 3.71Å; W404-D406 VanDerWaalsContact C-N 3.32Å; W404-D406 PolarHBondContact O-N 2.73Å |
| 405 | N | 90.7 | Very high | 89.3 | Confident | 74 Ų | 74 | 57.4 Ų | 57.4 | 40% | 0.396 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -64.7 | -33.7 | 179.8 | 65.1 | -13.4 | 0 | 0 | 0 | 113.3 | I394 E395 V397 | I394-N405 WeakPolarHBondContact CA-OD1 3.05Å; E395-N405 PolarHBondContact N-OD1 3.18Å; E395-N405 PolarHBondContact O-N 2.68Å; E395-N405 PolarHBondContact O-OD1 3.31Å; V397-N405 HydrophobicContact CG1-CB 4Å; V397-N405 HydrophobicContact CG2-CB 3.92Å |
| 406 | D | 87.1 | Confident | 89.2 | Confident | 70 Ų | 70 | 54.1 Ų | 54.1 | 37% | 0.374 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -137.6 | 179.2 | 178.6 | -143.3 | -15.2 | 0 | 0 | 0 | 111.9 | R316 I394 W404 | R316-D406 IonicContact NH2-OD1 2.72Å; I394-D406 HydrophobicContact CG2-CB 3.97Å; W404-D406 VanDerWaalsContact C-N 3.32Å; W404-D406 PolarHBondContact O-N 2.73Å |
| 407 | T | 82.8 | Confident | 89.1 | Confident | 41 Ų | 41 | 55.9 Ų | 55.9 | 25% | 0.252 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -81.7 | 154.5 | 179.5 | 62.3 | 0 | 0 | 0 | 0 | 113 | R316 | R316-T407 HydrophobicContact CG-CG2 3.63Š|
| 408 | E | 84.6 | Confident | 89 | Confident | 25 Ų | 25 | 61 Ų | 61 | 12% | 0.117 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 135.6 | 162.1 | -61.3 | 98 | 130.9 | 0 | 0 | 111.2 | F353 P355 F377 I394 | F353-E408 WeakPolarHBondContact CE2-OE1 3.21Å; P355-E408 WeakPolarHBondContact CA-OE1 3.42Å; P355-E408 HydrophobicContact CB-CG 3.49Å; P355-E408 VanDerWaalsContact CB-CG 3.49Å; F377-E408 HydrophobicContact CE1-CB 4.34Å; F377-E408 HydrophobicContact CE1-CG 4.11Å; F377-E408 HydrophobicContact CZ-CB 4.27Å; F377-E408 HydrophobicContact CZ-CG 3.95Å; I394-E408 HydrophobicContact CD1-CG 4.23Å |
| 409 | P | 87.3 | Confident | 89.1 | Confident | 20 Ų | 20 | 60.3 Ų | 60.3 | 13% | 0.13 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -76.7 | 157.1 | 172.6 | 32.8 | -35.4 | 0 | 0 | 0 | 111.1 | L357 F377 L385 | L357-P409 WeakPolarHBondContact CD1-O 3.35Å; F377-P409 HydrophobicContact CB-CG 3.8Å; F377-P409 HydrophobicContact CD1-CG 4.2Å; F377-P409 VanDerWaalsContact CD2-CD 3.43Å; F377-P409 HydrophobicContact CD2-CG 3.63Å; F377-P409 HydrophobicContact CE2-CG 4.24Å; F377-P409 HydrophobicContact CG-CG 3.6Å; L385-P409 HydrophobicContact CD2-CB 4.02Å; L385-P409 HydrophobicContact CD2-CG 3.79Å |
| 410 | A | 85.1 | Confident | 89.3 | Confident | 42 Ų | 42 | 59.2 Ų | 59.2 | 35% | 0.347 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 142.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L385 E386 | L385-A410 CarbonylContact C-O 3.56Å; L385-A410 WeakPolarHBondContact CA-O 3.16Å; E386-A410 PolarHBondContact N-O 3.18Å; E386-A410 PolarHBondContact O-N 2.72Å |
| 411 | C | 89.1 | Confident | 89.4 | Confident | 11 Ų | 11 | 58.5 Ų | 58.5 | 7% | 0.074 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 116.1 | 164.7 | -72.2 | 0 | 0 | 0 | 0 | 110 | L357 A358 H359 C379 A384 | L357-C411 HydrophobicContact CD1-CB 4.47Å; A358-C411 WeakPolarHBondContact O-CB 3.31Å; H359-C411 HydrophobicContact CB-CB 4.45Å; C379-C411 WeakPolarHBondContact CA-SG 3.06Å; C379-C411 HydrophobicContact CB-CB 3.89Å; C379-C411 WeakPolarHBondContact CB-SG 3.15Å; C379-C411 WeakPolarHBondContact SG-CB 3.37Å; C379-C411 CovalentContact SG-SG 2.04Å; C379-C411 PolarHBondContact SG-SG 3.37Å; A384-C411 WeakPolarHBondContact O-CA 3.38Å |
| 412 | K | 87.8 | Confident | 89.7 | Confident | 94 Ų | 94 | 55.3 Ų | 55.3 | 41% | 0.409 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 151.8 | 177.9 | -67 | -169.9 | -170.9 | 160.4 | 0 | 112.6 | Y383 A384 E386 M414 | Y383-K412 WeakPolarHBondContact CA-O 3.49Å; A384-K412 PolarHBondContact N-O 2.54Å; A384-K412 PolarHBondContact O-N 2.83Å; E386-K412 WeakPolarHBondContact OE2-CD 3.04Å; E386-K412 WeakPolarHBondContact OE2-CE 3.38Å; E386-K412 IonicContact OE2-NZ 3.61Å; E386-K412 PolarHBondContact OE2-NZ 2.98Å; K412-M414 PolarHBondContact O-N 2.96Å |
| 413 | A | 90.9 | Very high | 89.9 | Confident | 5 Ų | 5 | 56.8 Ų | 56.8 | 4% | 0.041 | 33% | 0.329 | C | S | . | . | trans | -77 | 108.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y383 L427 S428 D430 W431 | Y383-A413 HydrophobicContact CD1-CB 4.49Å; A413-L427 HydrophobicContact CB-CB 3.89Å; A413-L427 HydrophobicContact CB-CD1 4.13Å; A413-S428 VanDerWaalsContact CB-O 3.32Å; A413-S428 WeakPolarHBondContact CB-O 3.44Å; A413-D430 PolarHBondContact O-N 3.38Å; A413-W431 HydrophobicContact CB-CB 4.04Å | ||
| 414 | M | 87.5 | Confident | 90.1 | Very high | 75 Ų | 75 | 53.3 Ų | 53.3 | 37% | 0.369 | 32% | 0.318 | S | S | . | . | trans | -79.7 | 142.5 | -170.1 | -60.2 | -61.8 | -81.4 | 0 | 0 | 113 | A384 K412 G416 W443 | A384-M414 HydrophobicContact CB-CG 3.76Å; K412-M414 PolarHBondContact O-N 2.96Å; M414-G416 PolarHBondContact O-N 2.82Å; M414-W443 WeakPolarHBondContact O-CZ2 3.3Å; M414-W443 PolarHBondContact O-NE1 2.88Å | ||
| 415 | C | 91.2 | Very high | 90.3 | Very high | 58 Ų | 58 | 54 Ų | 54 | 39% | 0.392 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -74.2 | 92.3 | 170.5 | 179.3 | 0 | 0 | 0 | 0 | 110.5 | P429 Q439 C441 | C415-P429 HydrophobicContact CB-CG 4.08Å; C415-Q439 PolarHBondContact SG-OE1 2.79Å; C415-C441 VanDerWaalsContact CA-SG 3.53Å; C415-C441 HydrophobicContact CB-CB 4.05Å; C415-C441 WeakPolarHBondContact CB-SG 3.34Å; C415-C441 WeakPolarHBondContact SG-CA 3.45Å; C415-C441 WeakPolarHBondContact SG-CB 3.49Å; C415-C441 CovalentContact SG-SG 2.03Å; C415-C441 PolarHBondContact SG-SG 2.97Å |
| 416 | G | 91.6 | Very high | 90.5 | Very high | 15 Ų | 15 | 50.6 Ų | 50.6 | 16% | 0.155 | 30% | 0.304 | C | S | . | . | S | Bend | trans | 86.7 | 178.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | M414 V442 W443 | M414-G416 PolarHBondContact O-N 2.82Å; G416-V442 CarbonylContact C-O 3.57Å; G416-V442 WeakPolarHBondContact CA-O 3.33Å; G416-W443 VanDerWaalsContact C-CD1 3.42Å; G416-W443 VanDerWaalsContact N-CE2 3.28Å |
| 417 | G | 91.1 | Very high | 90.8 | Very high | 37 Ų | 37 | 47.8 Ų | 47.8 | 38% | 0.381 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 138.2 | 171.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | V442 W443 G444 | G417-V442 PolarHBondContact N-O 3Å; G417-V442 VanDerWaalsContact N-O 3.08Å; G417-W443 CarbonylContact O-C 3.47Å; G417-W443 WeakPolarHBondContact O-CA 3.33Å; G417-G444 PolarHBondContact O-N 3.28Å |
| 418 | E | 92.8 | Very high | 91.2 | Very high | 149 Ų | 149 | 45.8 Ų | 45.8 | 70% | 0.696 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 137.1 | 176.5 | -66.9 | -56.1 | 143.8 | 0 | 0 | 111.4 | G444 | E418-G444 WeakPolarHBondContact OE2-CA 3.32Å |
| 419 | L | 93.1 | Very high | 91.5 | Very high | 51 Ų | 51 | 44.7 Ų | 44.7 | 27% | 0.267 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 105.4 | -173.3 | -62.7 | 171.9 | 0 | 0 | 0 | 110.7 | V426 G444 V445 H446 F523 | L419-V426 HydrophobicContact CD1-CG2 3.76Å; L419-G444 PolarHBondContact N-O 3.5Å; L419-V445 HydrophobicContact CB-CG2 4.24Å; L419-V445 HydrophobicContact CD1-CG2 4.14Å; L419-V445 WeakPolarHBondContact O-CA 3.44Å; L419-H446 PolarHBondContact O-N 2.9Å; L419-F523 HydrophobicContact CB-CZ 4.08Å; L419-F523 HydrophobicContact CD1-CE1 4.05Å; L419-F523 HydrophobicContact CD1-CZ 4.42Å |
| 420 | S | 93.7 | Very high | 91.3 | Very high | 90 Ų | 90 | 46.5 Ų | 46.5 | 63% | 0.629 | 28% | 0.281 | S | S | * | . | trans | -103.6 | 10.5 | -175.3 | 60.3 | 0 | 0 | 0 | 0 | 115.1 | H446 | S420-H446 WeakPolarHBondContact CA-O 3.29Š| ||
| 421 | E | 92.2 | Very high | 91.3 | Very high | 116 Ų | 116 | 46.8 Ų | 46.8 | 54% | 0.542 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -81.4 | 149.2 | -175.2 | -68.5 | -58.1 | 135.9 | 0 | 0 | 112.4 | A423 F523 | E421-A423 PolarHBondContact O-N 2.91Å; E421-F523 WeakPolarHBondContact O-CE2 3.18Å |
| 422 | P | 92.8 | Very high | 90.8 | Very high | 63 Ų | 63 | 49.4 Ų | 49.4 | 41% | 0.409 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -67.9 | -17.9 | 177.8 | 29.2 | -35.6 | 0 | 0 | 0 | 112.9 | K524 E525 | P422-K524 CarbonylContact O-C 3.59Å; P422-K524 WeakPolarHBondContact O-CA 3.46Å; P422-E525 HydrophobicContact CB-CG 4.03Å; P422-E525 PolarHBondContact O-N 2.87Å |
| 423 | A | 95.4 | Very high | 90.3 | Very high | 58 Ų | 58 | 48.8 Ų | 48.8 | 48% | 0.479 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 149.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | E421 F523 K524 | E421-A423 PolarHBondContact O-N 2.91Å; A423-F523 VanDerWaalsContact CA-O 3.3Å; A423-F523 WeakPolarHBondContact CA-O 3.39Å; A423-K524 HydrophobicContact CB-CB 3.73Å |
| 424 | G | 93.9 | Very high | 89.7 | Confident | 17 Ų | 17 | 51.9 Ų | 51.9 | 18% | 0.175 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171 | -167.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | H522 F523 | G424-H522 WeakPolarHBondContact O-CA 3.34Å; G424-F523 VanDerWaalsContact C-CD1 3.47Å; G424-F523 VanDerWaalsContact CA-CE1 3.42Å; G424-F523 PolarHBondContact N-O 3Å; G424-F523 WeakPolarHBondContact O-CD1 3.49Å; G424-F523 PolarHBondContact O-N 3.08Å |
| 425 | V | 95.1 | Very high | 89.5 | Confident | 23 Ų | 23 | 49.2 Ų | 49.2 | 14% | 0.139 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 134 | -178.2 | -165.9 | 0 | 0 | 0 | 0 | 109 | P381 G382 L427 V520 L521 | P381-V425 HydrophobicContact CB-CG2 4.13Å; G382-V425 WeakPolarHBondContact CA-O 3.48Å; V425-L427 HydrophobicContact CG1-CD2 3.71Å; V425-L427 HydrophobicContact CG1-CG 4.22Å; V425-V520 HydrophobicContact CG1-CG1 3.9Å; V425-L521 CarbonylContact C-O 3.57Å; V425-L521 WeakPolarHBondContact CA-O 3.25Å |
| 426 | V | 95.4 | Very high | 89 | Confident | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.012 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 124.6 | 166.3 | -168.7 | 0 | 0 | 0 | 0 | 107.6 | L419 W443 L502 F519 L521 F523 | L419-V426 HydrophobicContact CD1-CG2 3.76Å; V426-W443 HydrophobicContact CG1-CB 4.46Å; V426-W443 HydrophobicContact CG1-CD2 3.64Å; V426-W443 HydrophobicContact CG1-CE3 4.14Å; V426-W443 HydrophobicContact CG1-CG 3.8Å; V426-W443 HydrophobicContact CG1-CZ2 4.29Å; V426-L502 HydrophobicContact CG2-CD2 4.34Å; V426-F519 HydrophobicContact CG1-CE2 4.37Å; V426-L521 HydrophobicContact CB-CB 4.31Å; V426-L521 HydrophobicContact CB-CD1 4.38Å; V426-L521 PolarHBondContact N-O 3.31Å; V426-L521 PolarHBondContact O-N 3.44Å; V426-F523 HydrophobicContact CG2-CD1 4.11Å; V426-F523 HydrophobicContact CG2-CE1 4.26Å |
| 427 | L | 93.4 | Very high | 88.5 | Confident | 11 Ų | 11 | 51 Ų | 51 | 6% | 0.058 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 156.1 | 179.4 | -59.4 | 176.7 | 0 | 0 | 0 | 109.4 | Y383 A413 V425 W431 F519 V520 | Y383-L427 HydrophobicContact CD2-CD1 3.82Å; Y383-L427 HydrophobicContact CE1-CD1 4.27Å; Y383-L427 HydrophobicContact CE2-CD1 3.44Å; Y383-L427 VanDerWaalsContact CE2-CD1 3.44Å; Y383-L427 HydrophobicContact CG-CD1 4.38Å; A413-L427 HydrophobicContact CB-CB 3.89Å; A413-L427 HydrophobicContact CB-CD1 4.13Å; V425-L427 HydrophobicContact CG1-CD2 3.71Å; V425-L427 HydrophobicContact CG1-CG 4.22Å; L427-W431 HydrophobicContact CB-CB 3.95Å; L427-W431 HydrophobicContact CB-CG 4.22Å; L427-W431 HydrophobicContact CD1-CB 4.39Å; L427-W431 HydrophobicContact CD1-CG 4.3Å; L427-W431 HydrophobicContact CD2-CD2 4.49Å; L427-W431 HydrophobicContact CD2-CG 4.14Å; L427-W431 HydrophobicContact CG-CG 4.46Å; L427-F519 VanDerWaalsContact C-CE2 3.45Å; L427-F519 WeakPolarHBondContact O-CE2 3.38Å; L427-V520 HydrophobicContact CD2-CB 4.31Å; L427-V520 HydrophobicContact CD2-CG1 3.99Å; L427-V520 HydrophobicContact CD2-CG2 3.89Å |
| 428 | S | 91.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | trans | -65.2 | 155.4 | 163.9 | 59.5 | 0 | 0 | 0 | 0 | 110.5 | A413 W431 G518 F519 | A413-S428 VanDerWaalsContact CB-O 3.32Å; A413-S428 WeakPolarHBondContact CB-O 3.44Å; S428-W431 VanDerWaalsContact O-CB 3.29Å; S428-W431 WeakPolarHBondContact O-CB 3.44Å; S428-W431 PolarHBondContact O-N 3.46Å; S428-G518 WeakPolarHBondContact OG-CA 3.4Å; S428-F519 PolarHBondContact N-O 2.88Å; S428-F519 VanDerWaalsContact N-O 3.08Å; S428-F519 PolarHBondContact OG-N 3.17Å | ||
| 429 | P | 89.9 | Confident | 88 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.013 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | 145.6 | 171.1 | -25.9 | 34.9 | 0 | 0 | 0 | 111.6 | C415 W431 Y435 Q439 C441 | C415-P429 HydrophobicContact CB-CG 4.08Å; P429-W431 PolarHBondContact O-N 2.93Å; P429-Y435 WeakPolarHBondContact O-CB 3.42Å; P429-Q439 HydrophobicContact CG-CG 4.45Å; P429-C441 WeakPolarHBondContact CG-SG 3.22Å |
| 430 | D | 83.1 | Confident | 88 | Confident | 57 Ų | 57 | 48.4 Ų | 48.4 | 31% | 0.305 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 3.5 | 176.5 | -45.3 | -53 | 0 | 0 | 0 | 115.8 | A413 Q433 S436 | A413-D430 PolarHBondContact O-N 3.38Å; D430-Q433 HydrophobicContact CB-CB 4.28Å; D430-Q433 WeakPolarHBondContact O-CA 2.97Å; D430-Q433 WeakPolarHBondContact O-CB 3.38Å; D430-Q433 WeakPolarHBondContact O-CG 3.49Å; D430-Q433 PolarHBondContact O-N 3.22Å; D430-S436 PolarHBondContact OD2-N 2.99Å |
| 431 | W | 86.3 | Confident | 88 | Confident | 49 Ų | 49 | 44.2 Ų | 44.2 | 19% | 0.186 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 134.7 | 179.4 | -178.4 | -79.8 | 0 | 0 | 0 | 111.7 | Y383 A413 L427 S428 P429 I459 Q517 V520 | Y383-W431 VanDerWaalsContact CE1-O 3.31Å; Y383-W431 WeakPolarHBondContact CE1-O 3.05Å; A413-W431 HydrophobicContact CB-CB 4.04Å; L427-W431 HydrophobicContact CB-CB 3.95Å; L427-W431 HydrophobicContact CB-CG 4.22Å; L427-W431 HydrophobicContact CD1-CB 4.39Å; L427-W431 HydrophobicContact CD1-CG 4.3Å; L427-W431 HydrophobicContact CD2-CD2 4.49Å; L427-W431 HydrophobicContact CD2-CG 4.14Å; L427-W431 HydrophobicContact CG-CG 4.46Å; S428-W431 VanDerWaalsContact O-CB 3.29Å; S428-W431 WeakPolarHBondContact O-CB 3.44Å; S428-W431 PolarHBondContact O-N 3.46Å; P429-W431 PolarHBondContact O-N 2.93Å; W431-I459 HydrophobicContact CH2-CB 4.49Å; W431-I459 HydrophobicContact CH2-CD1 3.77Å; W431-I459 HydrophobicContact CH2-CG2 4.17Å; W431-I459 HydrophobicContact CZ2-CD1 4.1Å; W431-I459 HydrophobicContact CZ3-CG2 4.46Å; W431-Q517 WeakPolarHBondContact CZ3-O 3.05Å; W431-V520 HydrophobicContact CD2-CG2 3.95Å; W431-V520 HydrophobicContact CE3-CG2 4.04Å; W431-V520 HydrophobicContact CH2-CG2 3.5Å; W431-V520 VanDerWaalsContact CH2-CG2 3.5Å; W431-V520 HydrophobicContact CZ2-CG2 3.34Å; W431-V520 HydrophobicContact CZ3-CG2 3.82Å |
| 432 | P | 78.1 | Confident | 88.2 | Confident | 66 Ų | 66 | 41.3 Ų | 41.3 | 43% | 0.429 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -85.2 | 8.7 | 11.4 | 35.3 | -38.2 | 0 | 0 | 0 | 115.8 | H359 | H359-P432 WeakPolarHBondContact NE2-CD 3.45Š|
| 433 | Q | 76.7 | Confident | 88.3 | Confident | 81 Ų | 81 | 39 Ų | 39 | 38% | 0.379 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -74.2 | 172.4 | 175.4 | -49.1 | -76.6 | 41.3 | 0 | 0 | 111.4 | R282 D430 | R282-Q433 VanDerWaalsContact CZ-NE2 3.32Å; R282-Q433 VanDerWaalsContact CZ-OE1 3.26Å; D430-Q433 HydrophobicContact CB-CB 4.28Å; D430-Q433 WeakPolarHBondContact O-CA 2.97Å; D430-Q433 WeakPolarHBondContact O-CB 3.38Å; D430-Q433 WeakPolarHBondContact O-CG 3.49Å; D430-Q433 PolarHBondContact O-N 3.22Å |
| 434 | S | 77.6 | Confident | 88.4 | Confident | 70 Ų | 70 | 36.4 Ų | 36.4 | 49% | 0.49 | 22% | 0.22 | S | C | . | . | P | Polyproline II helix | trans | -72.3 | 129 | 167.7 | -58.4 | 0 | 0 | 0 | 0 | 109.7 | ||
| 435 | Y | 84.4 | Confident | 88.5 | Confident | 18 Ų | 18 | 35.8 Ų | 35.8 | 7% | 0.071 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -63.6 | 144.8 | 175.8 | 56.4 | -92.3 | 0 | 0 | 0 | 111.4 | P429 V462 R463 D466 F504 A506 | P429-Y435 WeakPolarHBondContact O-CB 3.42Å; Y435-V462 WeakPolarHBondContact OH-CA 3.31Å; Y435-R463 PolarHBondContact OH-N 3Å; Y435-D466 VanDerWaalsContact CE2-OD2 3.27Å; Y435-D466 WeakPolarHBondContact CE2-OD2 3.08Å; Y435-D466 PolarHBondContact OH-OD2 3.36Å; Y435-F504 HydrophobicContact CD1-CE1 4.47Å; Y435-F504 HydrophobicContact CD1-CZ 4.33Å; Y435-F504 AromaticContact CD2-CE1 3.79Å; Y435-F504 HydrophobicContact CD2-CE1 3.79Å; Y435-F504 AromaticContact CD2-CZ 3.84Å; Y435-F504 HydrophobicContact CD2-CZ 3.84Å; Y435-F504 HydrophobicContact CE1-CZ 4.06Å; Y435-F504 AromaticContact CE2-CE1 3.99Å; Y435-F504 HydrophobicContact CE2-CE1 3.99Å; Y435-F504 AromaticContact CE2-CZ 3.54Å; Y435-F504 HydrophobicContact CE2-CZ 3.54Å; Y435-F504 HydrophobicContact CG-CE1 4.06Å; Y435-F504 HydrophobicContact CG-CZ 4.23Å; Y435-F504 AromaticContact CZ-CZ 3.65Å; Y435-A506 HydrophobicContact CD2-CB 4.21Å; Y435-A506 HydrophobicContact CE2-CB 3.94Å |
| 436 | S | 81.1 | Confident | 88.5 | Confident | 60 Ų | 60 | 38.3 Ų | 38.3 | 42% | 0.42 | 22% | 0.223 | S | C | . | . | P | Polyproline II helix | trans | -65.5 | 151 | 177 | -64.8 | 0 | 0 | 0 | 0 | 113.2 | D430 Q439 | D430-S436 PolarHBondContact OD2-N 2.99Å; S436-Q439 WeakPolarHBondContact O-CG 3.45Å |
| 437 | P | 81.6 | Confident | 88.5 | Confident | 50 Ų | 50 | 38.5 Ų | 38.5 | 33% | 0.325 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | 150 | 172.3 | 31.2 | -34.9 | 0 | 0 | 0 | 111.6 | G509 | P437-G509 WeakPolarHBondContact CB-O 3.39Å; P437-G509 WeakPolarHBondContact CG-O 3.5Å |
| 438 | G | 84.9 | Confident | 88.4 | Confident | 46 Ų | 46 | 42.8 Ų | 42.8 | 47% | 0.474 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.7 | 8.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | A506 | G438-A506 CarbonylContact C-O 3.45Å; G438-A506 WeakPolarHBondContact CA-O 3.42Å; G438-A506 PolarHBondContact N-O 3.44Å |
| 439 | Q | 88.3 | Confident | 88 | Confident | 48 Ų | 48 | 48.7 Ų | 48.7 | 22% | 0.224 | 27% | 0.272 | C | S | . | . | trans | -75.6 | 138.5 | 179.8 | -62.1 | -74.9 | 14 | 0 | 0 | 112.3 | C415 P429 S436 A506 | C415-Q439 PolarHBondContact SG-OE1 2.79Å; P429-Q439 HydrophobicContact CG-CG 4.45Å; S436-Q439 WeakPolarHBondContact O-CG 3.45Å; Q439-A506 HydrophobicContact CB-CB 4.3Å; Q439-A506 PolarHBondContact N-O 3.05Å; Q439-A506 PolarHBondContact O-N 3.18Å | ||
| 440 | D | 92.4 | Very high | 87.5 | Confident | 90 Ų | 90 | 54.4 Ų | 54.4 | 48% | 0.481 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 92.7 | 164.6 | -168.3 | -2.1 | 0 | 0 | 0 | 108.3 | Q503 F504 Q505 | D440-Q503 PolarHBondContact OD1-NE2 3.07Å; D440-Q503 PolarHBondContact OD2-NE2 2.98Å; D440-F504 CarbonylContact C-O 3.6Å; D440-F504 WeakPolarHBondContact CA-O 3.19Å; D440-Q505 HydrophobicContact CB-CG 4.45Å; D440-Q505 VanDerWaalsContact OD1-CG 3.25Å; D440-Q505 WeakPolarHBondContact OD1-CG 3.03Å; D440-Q505 PolarHBondContact OD2-NE2 2.99Å |
| 441 | C | 93.9 | Very high | 87.6 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.007 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 131.9 | -170.8 | -52.3 | 0 | 0 | 0 | 0 | 110.5 | C415 P429 W443 Q503 F504 | C415-C441 VanDerWaalsContact CA-SG 3.53Å; C415-C441 HydrophobicContact CB-CB 4.05Å; C415-C441 WeakPolarHBondContact CB-SG 3.34Å; C415-C441 WeakPolarHBondContact SG-CA 3.45Å; C415-C441 WeakPolarHBondContact SG-CB 3.49Å; C415-C441 CovalentContact SG-SG 2.03Å; C415-C441 PolarHBondContact SG-SG 2.97Å; P429-C441 WeakPolarHBondContact CG-SG 3.22Å; C441-W443 HydrophobicContact CB-CE3 4.3Å; C441-W443 HydrophobicContact CB-CH2 3.32Å; C441-W443 HydrophobicContact CB-CZ2 3.91Å; C441-W443 HydrophobicContact CB-CZ3 3.55Å; C441-Q503 CarbonylContact O-C 3.47Å; C441-Q503 VanDerWaalsContact O-CA 3.31Å; C441-Q503 WeakPolarHBondContact O-CA 3.17Å; C441-F504 PolarHBondContact N-O 3.5Å; C441-F504 PolarHBondContact O-N 3.5Å |
| 442 | V | 95.7 | Very high | 87.8 | Confident | 56 Ų | 56 | 53 Ų | 53 | 34% | 0.339 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 122.8 | 177.9 | -177.7 | 0 | 0 | 0 | 0 | 110.1 | G416 G417 T501 L502 Q503 | G416-V442 CarbonylContact C-O 3.57Å; G416-V442 WeakPolarHBondContact CA-O 3.33Å; G417-V442 PolarHBondContact N-O 3Å; G417-V442 VanDerWaalsContact N-O 3.08Å; V442-T501 HydrophobicContact CG1-CG2 3.77Å; V442-L502 CarbonylContact C-O 3.58Å; V442-L502 WeakPolarHBondContact CA-O 3.37Å; V442-Q503 HydrophobicContact CG2-CB 4.31Å; V442-Q503 HydrophobicContact CG2-CG 3.93Å |
| 443 | W | 96.3 | Very high | 88.5 | Confident | 13 Ų | 13 | 50 Ų | 50 | 5% | 0.049 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 124.7 | 171.2 | -57.4 | -97.4 | 0 | 0 | 0 | 110.1 | M414 G416 G417 V426 C441 L502 F504 F519 | M414-W443 WeakPolarHBondContact O-CZ2 3.3Å; M414-W443 PolarHBondContact O-NE1 2.88Å; G416-W443 VanDerWaalsContact C-CD1 3.42Å; G416-W443 VanDerWaalsContact N-CE2 3.28Å; G417-W443 CarbonylContact O-C 3.47Å; G417-W443 WeakPolarHBondContact O-CA 3.33Å; V426-W443 HydrophobicContact CG1-CB 4.46Å; V426-W443 HydrophobicContact CG1-CD2 3.64Å; V426-W443 HydrophobicContact CG1-CE3 4.14Å; V426-W443 HydrophobicContact CG1-CG 3.8Å; V426-W443 HydrophobicContact CG1-CZ2 4.29Å; C441-W443 HydrophobicContact CB-CE3 4.3Å; C441-W443 HydrophobicContact CB-CH2 3.32Å; C441-W443 HydrophobicContact CB-CZ2 3.91Å; C441-W443 HydrophobicContact CB-CZ3 3.55Å; W443-L502 HydrophobicContact CB-CB 4.43Å; W443-L502 HydrophobicContact CB-CD1 4.41Å; W443-L502 HydrophobicContact CE3-CB 4.24Å; W443-L502 PolarHBondContact N-O 3.21Å; W443-L502 PolarHBondContact O-N 2.99Å; W443-F504 HydrophobicContact CH2-CB 4.11Å; W443-F504 HydrophobicContact CZ3-CB 3.71Å; W443-F519 HydrophobicContact CH2-CE2 4.42Å; W443-F519 AromaticContact CH2-CZ 3.76Å; W443-F519 HydrophobicContact CH2-CZ 3.76Å; W443-F519 HydrophobicContact CZ3-CZ 4Å |
| 444 | G | 96 | Very high | 89.4 | Confident | 5 Ų | 5 | 47.9 Ų | 47.9 | 5% | 0.052 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 135.7 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110 | G417 E418 L419 | G417-G444 PolarHBondContact O-N 3.28Å; E418-G444 WeakPolarHBondContact OE2-CA 3.32Å; L419-G444 PolarHBondContact N-O 3.5Å |
| 445 | V | 96.4 | Very high | 90.2 | Very high | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.024 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 123.1 | 172 | -172.6 | 0 | 0 | 0 | 0 | 108.3 | L419 I453 D499 L500 L502 F523 | L419-V445 HydrophobicContact CB-CG2 4.24Å; L419-V445 HydrophobicContact CD1-CG2 4.14Å; L419-V445 WeakPolarHBondContact O-CA 3.44Å; V445-I453 HydrophobicContact CB-CD1 3.98Å; V445-I453 HydrophobicContact CG1-CD1 3.64Å; V445-I453 WeakPolarHBondContact O-CD1 3.49Å; V445-D499 CarbonylContact O-C 3.58Å; V445-D499 WeakPolarHBondContact O-CA 3.5Å; V445-L500 HydrophobicContact CB-CB 4.42Å; V445-L500 WeakPolarHBondContact CB-O 3.44Å; V445-L500 PolarHBondContact N-O 3Å; V445-L500 PolarHBondContact O-N 3.23Å; V445-L502 HydrophobicContact CG2-CD1 3.46Å; V445-L502 VanDerWaalsContact CG2-CD1 3.46Å; V445-F523 HydrophobicContact CG1-CD2 3.52Å; V445-F523 HydrophobicContact CG1-CE1 4.48Å; V445-F523 HydrophobicContact CG1-CE2 3.48Å; V445-F523 VanDerWaalsContact CG1-CE2 3.48Å; V445-F523 HydrophobicContact CG1-CG 4.06Å; V445-F523 HydrophobicContact CG1-CZ 4Å |
| 446 | H | 95.5 | Very high | 90.6 | Very high | 76 Ų | 76 | 46.1 Ų | 46.1 | 35% | 0.352 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 127.4 | -178.3 | 174.3 | 80.4 | 0 | 0 | 0 | 109.4 | L419 S420 D499 | L419-H446 PolarHBondContact O-N 2.9Å; S420-H446 WeakPolarHBondContact CA-O 3.29Å; H446-D499 IonicContact CE1-OD1 2.7Å; H446-D499 IonicContact CG-OD1 3.38Å; H446-D499 IonicContact ND1-OD1 3.52Å; H446-D499 PolarHBondContact ND1-OD1 3.08Å |
| 447 | V | 94.8 | Very high | 91.1 | Very high | 6 Ų | 6 | 43.4 Ų | 43.4 | 4% | 0.036 | 23% | 0.227 | C | C | . | . | trans | -117.5 | 178.9 | 172.3 | -60.9 | 0 | 0 | 0 | 0 | 110.5 | E449 K451 I453 P498 E525 | V447-E449 PolarHBondContact O-N 3.06Å; V447-K451 HydrophobicContact CG2-CB 3.88Å; V447-I453 HydrophobicContact CB-CG1 4.39Å; V447-I453 HydrophobicContact CG1-CD1 4.25Å; V447-I453 HydrophobicContact CG1-CG1 3.87Å; V447-I453 HydrophobicContact CG2-CD1 4.27Å; V447-I453 HydrophobicContact CG2-CG1 3.63Å; V447-P498 HydrophobicContact CG2-CB 4.32Å; V447-P498 WeakPolarHBondContact CG2-O 3.28Å; V447-P498 PolarHBondContact N-O 2.86Å; V447-P498 WeakPolarHBondContact O-CB 3.47Å; V447-E525 HydrophobicContact CB-CB 4.2Å; V447-E525 HydrophobicContact CG1-CB 4.18Å; V447-E525 HydrophobicContact CG2-CB 4.35Å | ||
| 448 | Q | 90.9 | Very high | 91.4 | Very high | 100 Ų | 100 | 43.8 Ų | 43.8 | 47% | 0.467 | 22% | 0.224 | S | C | . | . | trans | -51.8 | 136.8 | 177.7 | -63.4 | 163 | 40.8 | 0 | 0 | 112 | E450 K451 E525 | Q448-E450 PolarHBondContact O-N 2.03Å; Q448-K451 HydrophobicContact CB-CG 3.75Å; Q448-K451 VanDerWaalsContact O-CB 3.31Å; Q448-K451 WeakPolarHBondContact O-CB 3.46Å; Q448-K451 WeakPolarHBondContact O-CG 3.32Å; Q448-K451 PolarHBondContact O-N 3.44Å; Q448-K451 VanDerWaalsContact OE1-CE 3.23Å; Q448-E525 PolarHBondContact NE2-OE2 3Å | ||
| 449 | E | 85 | Confident | 91.5 | Very high | 125 Ų | 125 | 44.6 Ų | 44.6 | 58% | 0.584 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -46.5 | -38.9 | -173.6 | -67.3 | -79.2 | -179.1 | 0 | 0 | 114.7 | V447 K451 | V447-E449 PolarHBondContact O-N 3.06Å; E449-K451 VanDerWaalsContact C-N 3.29Å; E449-K451 PolarHBondContact O-N 3.47Å |
| 450 | E | 78.1 | Confident | 91.4 | Very high | 122 Ų | 122 | 42.7 Ų | 42.7 | 57% | 0.57 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | 1.2 | -178 | -59.4 | 76.7 | -165.6 | 0 | 0 | 114.4 | Q448 | Q448-E450 PolarHBondContact O-N 2.03Š|
| 451 | K | 85.8 | Confident | 91 | Very high | 57 Ų | 57 | 40.3 Ų | 40.3 | 25% | 0.248 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | -178.6 | -175.6 | -50.2 | -61 | -174.9 | -155.1 | 0 | 112.7 | V447 Q448 E449 G497 E525 | V447-K451 HydrophobicContact CG2-CB 3.88Å; Q448-K451 HydrophobicContact CB-CG 3.75Å; Q448-K451 VanDerWaalsContact O-CB 3.31Å; Q448-K451 WeakPolarHBondContact O-CB 3.46Å; Q448-K451 WeakPolarHBondContact O-CG 3.32Å; Q448-K451 PolarHBondContact O-N 3.44Å; Q448-K451 VanDerWaalsContact OE1-CE 3.23Å; E449-K451 VanDerWaalsContact C-N 3.29Å; E449-K451 PolarHBondContact O-N 3.47Å; K451-G497 CarbonylContact O-C 3.43Å; K451-E525 HydrophobicContact CB-CB 4.23Å; K451-E525 HydrophobicContact CG-CB 4.3Å |
| 452 | R | 89.7 | Confident | 90.5 | Very high | 20 Ų | 20 | 40.4 Ų | 40.4 | 8% | 0.075 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 158.8 | 164.9 | -78.7 | 173.2 | 171.3 | 157.4 | 6.5 | 109.4 | L494 S495 S496 E525 V526 R528 D530 | R452-L494 HydrophobicContact CB-CD1 3.99Å; R452-S495 WeakPolarHBondContact CD-O 3.32Å; R452-S495 VanDerWaalsContact CG-O 3.32Å; R452-S495 WeakPolarHBondContact CG-O 3.5Å; R452-S495 PolarHBondContact NE-O 2.83Å; R452-S496 PolarHBondContact NE-O 2.9Å; R452-S496 PolarHBondContact NH2-O 3.29Å; R452-S496 VanDerWaalsContact NH2-O 3.16Å; R452-E525 CarbonylContact O-C 3.51Å; R452-E525 WeakPolarHBondContact O-CA 3.25Å; R452-V526 HydrophobicContact CB-CG2 4.03Å; R452-V526 PolarHBondContact N-O 2.94Å; R452-V526 WeakPolarHBondContact O-CG2 3.27Å; R452-V526 PolarHBondContact O-N 3.26Å; R452-R528 HydrophobicContact CG-CG 4.12Å; R452-D530 IonicContact CZ-OD1 3.63Å; R452-D530 IonicContact CZ-OD2 3.69Å; R452-D530 VanDerWaalsContact NH1-CG 3.26Å; R452-D530 IonicContact NH1-OD1 3.44Å; R452-D530 PolarHBondContact NH1-OD1 2.91Å; R452-D530 IonicContact NH1-OD2 3.8Å; R452-D530 VanDerWaalsContact NH2-CG 3.3Å; R452-D530 IonicContact NH2-OD1 3.8Å; R452-D530 PolarHBondContact NH2-OD1 3.27Å; R452-D530 IonicContact NH2-OD2 3.59Å; R452-D530 PolarHBondContact NH2-OD2 3.5Å |
| 453 | I | 94.4 | Very high | 89.7 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 121.6 | 174.5 | -60.1 | 169.7 | 0 | 0 | 0 | 108.8 | V445 V447 L494 S495 P498 L500 F523 | V445-I453 HydrophobicContact CB-CD1 3.98Å; V445-I453 HydrophobicContact CG1-CD1 3.64Å; V445-I453 WeakPolarHBondContact O-CD1 3.49Å; V447-I453 HydrophobicContact CB-CG1 4.39Å; V447-I453 HydrophobicContact CG1-CD1 4.25Å; V447-I453 HydrophobicContact CG1-CG1 3.87Å; V447-I453 HydrophobicContact CG2-CD1 4.27Å; V447-I453 HydrophobicContact CG2-CG1 3.63Å; I453-L494 WeakPolarHBondContact O-CA 3.36Å; I453-S495 PolarHBondContact N-OG 2.88Å; I453-S495 PolarHBondContact O-N 2.84Å; I453-P498 WeakPolarHBondContact CD1-O 3.24Å; I453-L500 HydrophobicContact CB-CB 4.35Å; I453-L500 HydrophobicContact CB-CD2 4.33Å; I453-L500 HydrophobicContact CD1-CB 3.53Å; I453-L500 HydrophobicContact CG2-CD2 3.72Å; I453-F523 HydrophobicContact CG2-CB 3.92Å |
| 454 | L | 93.8 | Very high | 88.8 | Confident | 37 Ų | 37 | 47.8 Ų | 47.8 | 19% | 0.194 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 109.3 | 165.3 | -176.9 | 78.1 | 0 | 0 | 0 | 108.8 | R492 L493 L494 F523 K524 V526 | L454-R492 HydrophobicContact CD1-CB 4.34Å; L454-L493 WeakPolarHBondContact CA-O 3.37Å; L454-L494 HydrophobicContact CB-CD1 4.34Å; L454-L494 HydrophobicContact CD1-CD1 4.22Å; L454-F523 WeakPolarHBondContact O-CA 3.43Å; L454-K524 HydrophobicContact CB-CG 4.35Å; L454-K524 PolarHBondContact N-O 2.84Å; L454-K524 PolarHBondContact O-N 2.75Å; L454-K524 VanDerWaalsContact O-N 3.11Å; L454-V526 HydrophobicContact CB-CG1 3.75Å; L454-V526 HydrophobicContact CB-CG2 4.02Å; L454-V526 HydrophobicContact CD2-CG1 4.27Å |
| 455 | L | 95 | Very high | 88 | Confident | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.016 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 132.1 | 172.4 | -168.5 | 75.3 | 0 | 0 | 0 | 110 | L470 R492 L493 L500 L502 L521 H522 F523 | L455-L470 HydrophobicContact CD2-CD1 3.58Å; L455-L470 HydrophobicContact CD2-CD2 3.85Å; L455-L470 HydrophobicContact CD2-CG 4.36Å; L455-R492 CarbonylContact O-C 3.59Å; L455-R492 WeakPolarHBondContact O-CA 3.37Å; L455-L493 HydrophobicContact CB-CB 4.45Å; L455-L493 PolarHBondContact N-O 2.86Å; L455-L493 PolarHBondContact O-N 3.36Å; L455-L500 HydrophobicContact CB-CD2 4.16Å; L455-L500 HydrophobicContact CD1-CD2 4.26Å; L455-L500 HydrophobicContact CD2-CD2 4.34Å; L455-L500 HydrophobicContact CG-CD2 4.49Å; L455-L502 HydrophobicContact CD1-CD2 4.35Å; L455-L502 HydrophobicContact CD2-CD2 4.24Å; L455-L521 HydrophobicContact CD1-CB 4.03Å; L455-H522 CarbonylContact C-O 3.5Å; L455-H522 WeakPolarHBondContact CA-O 3.38Å; L455-F523 HydrophobicContact CD1-CB 3.84Å |
| 456 | Q | 93.3 | Very high | 87.6 | Confident | 48 Ų | 48 | 50.3 Ų | 50.3 | 22% | 0.224 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 118.2 | 172.4 | -179.6 | 176.4 | -73.4 | 0 | 0 | 109.8 | E458 R492 H522 | Q456-E458 PolarHBondContact NE2-OE2 2.89Å; Q456-E458 PolarHBondContact O-N 3.39Å; Q456-R492 HydrophobicContact CB-CG 4.21Å; Q456-R492 HydrophobicContact CG-CG 4.18Å; Q456-R492 VanDerWaalsContact OE1-CZ 3.28Å; Q456-H522 PolarHBondContact N-O 2.89Å; Q456-H522 PolarHBondContact O-N 3.4Å |
| 457 | V | 91.6 | Very high | 87.3 | Confident | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.024 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 113.1 | 168.2 | -173.1 | 0 | 0 | 0 | 0 | 108.1 | L460 L484 R490 R491 L521 | V457-L460 HydrophobicContact CG1-CB 3.76Å; V457-L484 HydrophobicContact CG2-CD1 3.93Å; V457-R490 WeakPolarHBondContact O-CA 3.39Å; V457-R491 PolarHBondContact N-O 2.67Å; V457-L521 HydrophobicContact CB-CD2 4.25Å; V457-L521 HydrophobicContact CG1-CD2 4.06Å; V457-L521 HydrophobicContact CG2-CD2 4Å |
| 458 | E | 87.9 | Confident | 87.3 | Confident | 57 Ų | 57 | 47.9 Ų | 47.9 | 27% | 0.266 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | -47.9 | 177.2 | 177.4 | 90.4 | -161.1 | 0 | 0 | 110.2 | Q456 R490 V520 | Q456-E458 PolarHBondContact NE2-OE2 2.89Å; Q456-E458 PolarHBondContact O-N 3.39Å; E458-R490 VanDerWaalsContact CD-CZ 3.41Å; E458-R490 VanDerWaalsContact CD-NH2 3.29Å; E458-R490 WeakPolarHBondContact O-CG 3.31Å; E458-R490 PolarHBondContact O-NE 2.94Å; E458-R490 IonicContact OE1-CZ 2.84Å; E458-R490 IonicContact OE1-NH1 3.58Å; E458-R490 PolarHBondContact OE1-NH1 2.68Å; E458-R490 IonicContact OE1-NH2 3.81Å; E458-R490 PolarHBondContact OE1-NH2 3.11Å; E458-R490 IonicContact OE2-CZ 3.57Å; E458-R490 IonicContact OE2-NH1 2.76Å; E458-R490 PolarHBondContact OE2-NH1 2.76Å; E458-R490 VanDerWaalsContact OE2-NH1 3.17Å; E458-V520 HydrophobicContact CB-CB 4.31Å; E458-V520 HydrophobicContact CB-CG1 4.2Å; E458-V520 WeakPolarHBondContact CB-O 3.5Å; E458-V520 HydrophobicContact CG-CG1 4.38Å; E458-V520 PolarHBondContact N-O 2.96Å |
| 459 | I | 86.1 | Confident | 87.4 | Confident | 64 Ų | 64 | 43.3 Ų | 43.3 | 33% | 0.328 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 136.9 | 174.7 | -57.7 | 176.9 | 0 | 0 | 0 | 108 | W431 F519 V520 | W431-I459 HydrophobicContact CH2-CB 4.49Å; W431-I459 HydrophobicContact CH2-CD1 3.77Å; W431-I459 HydrophobicContact CH2-CG2 4.17Å; W431-I459 HydrophobicContact CZ2-CD1 4.1Å; W431-I459 HydrophobicContact CZ3-CG2 4.46Å; I459-F519 CarbonylContact O-C 3.47Å; I459-F519 VanDerWaalsContact O-CA 3.32Å; I459-F519 WeakPolarHBondContact O-CA 3.3Å; I459-F519 WeakPolarHBondContact O-CB 3.28Å; I459-V520 HydrophobicContact CB-CB 4.09Å; I459-V520 HydrophobicContact CB-CG2 4.16Å; I459-V520 HydrophobicContact CD1-CG2 4.1Å; I459-V520 HydrophobicContact CG1-CB 4.41Å; I459-V520 HydrophobicContact CG1-CG2 4.4Å; I459-V520 PolarHBondContact N-O 3.33Å; I459-V520 PolarHBondContact O-N 3.26Å |
| 460 | L | 87.7 | Confident | 87.9 | Confident | 8 Ų | 8 | 37.4 Ų | 37.4 | 4% | 0.042 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 111.8 | 165.3 | -178.7 | 92.3 | 0 | 0 | 0 | 106.5 | V457 V462 L468 L484 G486 P487 Q488 F519 | V457-L460 HydrophobicContact CG1-CB 3.76Å; L460-V462 HydrophobicContact CD1-CG1 4.13Å; L460-L468 HydrophobicContact CD1-CB 4.46Å; L460-L468 HydrophobicContact CD1-CD2 3.82Å; L460-L484 HydrophobicContact CD1-CB 4.24Å; L460-L484 HydrophobicContact CD2-CB 3.81Å; L460-G486 VanDerWaalsContact CD2-O 3.25Å; L460-G486 WeakPolarHBondContact CD2-O 3.36Å; L460-P487 WeakPolarHBondContact O-CA 3.38Å; L460-Q488 HydrophobicContact CD2-CB 3.69Å; L460-Q488 HydrophobicContact CD2-CG 3.48Å; L460-Q488 VanDerWaalsContact CD2-CG 3.48Å; L460-F519 HydrophobicContact CD1-CB 3.98Å |
| 461 | N | 83.9 | Confident | 88.8 | Confident | 40 Ų | 40 | 32.4 Ų | 32.4 | 21% | 0.214 | 17% | 0.169 | C | C | . | . | B | Isolated β-bridge | trans | -139.3 | 64.6 | 176.3 | -169.8 | 12.7 | 0 | 0 | 0 | 109.1 | G516 Q517 G518 | N461-G516 CarbonylContact O-C 3.56Å; N461-G516 WeakPolarHBondContact O-CA 3.35Å; N461-Q517 HydrophobicContact CB-CB 3.99Å; N461-Q517 WeakPolarHBondContact ND2-CB 3.41Å; N461-Q517 PolarHBondContact ND2-OE1 3.06Å; N461-Q517 CarbonylContact O-C 3.54Å; N461-Q517 PolarHBondContact O-N 2.7Å; N461-G518 CarbonylContact C-O 3.46Å; N461-G518 PolarHBondContact N-O 2.87Å; N461-G518 PolarHBondContact O-N 2.82Å |
| 462 | V | 83.5 | Confident | 89.2 | Confident | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.012 | 16% | 0.162 | C | C | . | . | P | Polyproline II helix | trans | -88.9 | 141.8 | 179.5 | -59 | 0 | 0 | 0 | 0 | 110.8 | Y435 L460 D466 G486 F504 F519 | Y435-V462 WeakPolarHBondContact OH-CA 3.31Å; L460-V462 HydrophobicContact CD1-CG1 4.13Å; V462-D466 HydrophobicContact CB-CB 4.25Å; V462-G486 WeakPolarHBondContact O-CA 3.42Å; V462-F504 HydrophobicContact CB-CE2 4.36Å; V462-F504 HydrophobicContact CG1-CE2 3.84Å; V462-F504 HydrophobicContact CG1-CZ 4.4Å; V462-F519 HydrophobicContact CG1-CD1 3.99Å |
| 463 | R | 78.8 | Confident | 89.3 | Confident | 40 Ų | 40 | 30.4 Ų | 30.4 | 15% | 0.151 | 17% | 0.166 | C | C | . | . | P | Polyproline II helix | trans | -58.4 | 151.1 | -179.3 | 144 | -170.3 | 80.6 | 152.7 | 16.5 | 111.8 | Y435 G465 D466 P507 | Y435-R463 PolarHBondContact OH-N 3Å; R463-G465 PolarHBondContact O-N 3.36Å; R463-D466 VanDerWaalsContact CB-OD2 3.29Å; R463-D466 WeakPolarHBondContact CB-OD2 3.4Å; R463-D466 IonicContact CZ-OD1 2.59Å; R463-D466 VanDerWaalsContact CZ-OD1 3.29Å; R463-D466 IonicContact CZ-OD2 3.89Å; R463-D466 VanDerWaalsContact NE-CG 3.32Å; R463-D466 IonicContact NE-OD1 2.92Å; R463-D466 PolarHBondContact NE-OD1 2.57Å; R463-D466 IonicContact NE-OD2 2.76Å; R463-D466 PolarHBondContact NE-OD2 3.21Å; R463-D466 IonicContact NH2-OD1 2.76Å; R463-D466 PolarHBondContact NH2-OD1 2.92Å; R463-D466 IonicContact NH2-OD2 2.71Å; R463-D466 WeakPolarHBondContact O-CB 3.14Å; R463-D466 PolarHBondContact O-N 2.84Å; R463-P507 PolarHBondContact NH2-O 2.89Å |
| 464 | E | 76.6 | Confident | 89.2 | Confident | 185 Ų | 185 | 36.3 Ų | 36.3 | 86% | 0.864 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 122.5 | 175.7 | -173.2 | 170.1 | -155.5 | 0 | 0 | 111.2 | ||
| 465 | G | 78.9 | Confident | 89 | Confident | 60 Ų | 60 | 35.3 Ų | 35.3 | 62% | 0.619 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 103.3 | -21.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | R463 | R463-G465 PolarHBondContact O-N 3.36Š|
| 466 | D | 87.9 | Confident | 88.6 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | trans | -80.4 | 155.6 | 173.9 | -57.4 | -21.8 | 0 | 0 | 0 | 111.1 | Y435 V462 R463 F504 Q505 A506 P507 | Y435-D466 VanDerWaalsContact CE2-OD2 3.27Å; Y435-D466 WeakPolarHBondContact CE2-OD2 3.08Å; Y435-D466 PolarHBondContact OH-OD2 3.36Å; V462-D466 HydrophobicContact CB-CB 4.25Å; R463-D466 VanDerWaalsContact CB-OD2 3.29Å; R463-D466 WeakPolarHBondContact CB-OD2 3.4Å; R463-D466 IonicContact CZ-OD1 2.59Å; R463-D466 VanDerWaalsContact CZ-OD1 3.29Å; R463-D466 IonicContact CZ-OD2 3.89Å; R463-D466 VanDerWaalsContact NE-CG 3.32Å; R463-D466 IonicContact NE-OD1 2.92Å; R463-D466 PolarHBondContact NE-OD1 2.57Å; R463-D466 IonicContact NE-OD2 2.76Å; R463-D466 PolarHBondContact NE-OD2 3.21Å; R463-D466 IonicContact NH2-OD1 2.76Å; R463-D466 PolarHBondContact NH2-OD1 2.92Å; R463-D466 IonicContact NH2-OD2 2.71Å; R463-D466 WeakPolarHBondContact O-CB 3.14Å; R463-D466 PolarHBondContact O-N 2.84Å; D466-F504 HydrophobicContact CB-CE2 4.14Å; D466-F504 HydrophobicContact CB-CZ 4.39Å; D466-Q505 WeakPolarHBondContact CA-O 3.46Å; D466-A506 VanDerWaalsContact OD1-CA 3.3Å; D466-A506 WeakPolarHBondContact OD1-CA 3.02Å; D466-P507 VanDerWaalsContact OD1-CD 3.28Å; D466-P507 WeakPolarHBondContact OD1-CD 3.41Å | ||
| 467 | M | 90.6 | Very high | 88.4 | Confident | 31 Ų | 31 | 41.5 Ų | 41.5 | 15% | 0.153 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 129.3 | -175.7 | -177.2 | 172.7 | 63.6 | 0 | 0 | 112.7 | Q483 R485 Q505 | M467-Q483 HydrophobicContact CG-CB 4.47Å; M467-Q483 HydrophobicContact SD-CB 4.14Å; M467-Q483 HydrophobicContact SD-CG 3.9Å; M467-R485 HydrophobicContact CB-CG 4.3Å; M467-R485 HydrophobicContact CG-CG 4.2Å; M467-R485 PolarHBondContact SD-NH2 3.45Å; M467-Q505 PolarHBondContact N-O 2.72Å; M467-Q505 PolarHBondContact O-N 3Å |
| 468 | L | 93.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 114.9 | 165.3 | 172.4 | 67.7 | 0 | 0 | 0 | 108.7 | L460 L470 L484 Q503 F504 F519 L521 | L460-L468 HydrophobicContact CD1-CB 4.46Å; L460-L468 HydrophobicContact CD1-CD2 3.82Å; L468-L470 HydrophobicContact CD1-CD2 4.34Å; L468-L470 HydrophobicContact CG-CD2 4.32Å; L468-L484 HydrophobicContact CB-CB 4.27Å; L468-L484 HydrophobicContact CD2-CD1 3.99Å; L468-L484 PolarHBondContact N-O 2.78Å; L468-L484 PolarHBondContact O-N 3.05Å; L468-Q503 CarbonylContact C-O 3.59Å; L468-Q503 WeakPolarHBondContact CA-O 3.2Å; L468-F504 HydrophobicContact CB-CD2 4.29Å; L468-F504 HydrophobicContact CD1-CB 4.25Å; L468-F519 HydrophobicContact CD1-CZ 4.35Å; L468-L521 HydrophobicContact CD1-CD1 4.43Å; L468-L521 HydrophobicContact CD2-CD1 3.65Å; L468-L521 HydrophobicContact CD2-CD2 4.07Å; L468-L521 HydrophobicContact CD2-CG 4.44Å |
| 469 | T | 94.3 | Very high | 88.6 | Confident | 4 Ų | 4 | 48.7 Ų | 48.7 | 3% | 0.025 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 140.1 | 176.3 | -53.3 | 0 | 0 | 0 | 0 | 110.1 | F471 V480 Q483 Q503 | T469-F471 HydrophobicContact CG2-CD1 4.29Å; T469-F471 HydrophobicContact CG2-CD2 4.21Å; T469-F471 HydrophobicContact CG2-CE1 3.76Å; T469-F471 HydrophobicContact CG2-CE2 3.67Å; T469-F471 HydrophobicContact CG2-CZ 3.42Å; T469-F471 VanDerWaalsContact CG2-CZ 3.42Å; T469-V480 HydrophobicContact CG2-CG1 4.12Å; T469-V480 HydrophobicContact CG2-CG2 4.1Å; T469-Q483 HydrophobicContact CG2-CG 3.96Å; T469-Q503 PolarHBondContact N-O 3.15Å; T469-Q503 PolarHBondContact O-N 3.45Å |
| 470 | L | 95.4 | Very high | 88.9 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 127.1 | -179.3 | -57.4 | 174 | 0 | 0 | 0 | 108.9 | L455 L468 V480 L481 A482 L484 L493 L502 | L455-L470 HydrophobicContact CD2-CD1 3.58Å; L455-L470 HydrophobicContact CD2-CD2 3.85Å; L455-L470 HydrophobicContact CD2-CG 4.36Å; L468-L470 HydrophobicContact CD1-CD2 4.34Å; L468-L470 HydrophobicContact CG-CD2 4.32Å; L470-V480 CarbonylContact O-C 3.5Å; L470-V480 WeakPolarHBondContact O-CA 3.46Å; L470-L481 HydrophobicContact CB-CB 4.4Å; L470-L481 PolarHBondContact O-N 2.89Å; L470-A482 HydrophobicContact CD1-CB 4.37Å; L470-A482 PolarHBondContact N-O 2.84Å; L470-A482 PolarHBondContact O-N 3.39Å; L470-L484 HydrophobicContact CD1-CD1 3.81Å; L470-L484 HydrophobicContact CD1-CG 4.48Å; L470-L493 HydrophobicContact CD1-CD1 3.34Å; L470-L502 HydrophobicContact CD2-CB 4Å; L470-L502 HydrophobicContact CD2-CD2 3.53Å; L470-L502 HydrophobicContact CD2-CG 3.55Å |
| 471 | F | 96.4 | Very high | 89.1 | Confident | 17 Ų | 17 | 50.8 Ų | 50.8 | 8% | 0.075 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 135.2 | -175 | -51.7 | -94.6 | 0 | 0 | 0 | 111.9 | T469 G473 P476 A478 R479 V480 T501 Q503 | T469-F471 HydrophobicContact CG2-CD1 4.29Å; T469-F471 HydrophobicContact CG2-CD2 4.21Å; T469-F471 HydrophobicContact CG2-CE1 3.76Å; T469-F471 HydrophobicContact CG2-CE2 3.67Å; T469-F471 HydrophobicContact CG2-CZ 3.42Å; T469-F471 VanDerWaalsContact CG2-CZ 3.42Å; F471-G473 PolarHBondContact O-N 2.95Å; F471-G473 VanDerWaalsContact O-N 3.15Å; F471-P476 HydrophobicContact CD2-CB 4.31Å; F471-P476 HydrophobicContact CE1-CB 4.44Å; F471-P476 WeakPolarHBondContact CE1-O 3.34Å; F471-P476 HydrophobicContact CE2-CB 3.73Å; F471-P476 HydrophobicContact CZ-CB 3.8Å; F471-A478 HydrophobicContact CB-CB 4.08Å; F471-A478 WeakPolarHBondContact CD1-O 3.32Å; F471-R479 CarbonylContact C-O 3.38Å; F471-R479 WeakPolarHBondContact CA-O 3.35Å; F471-V480 HydrophobicContact CD1-CG2 3.75Å; F471-V480 HydrophobicContact CE1-CG2 3.69Å; F471-T501 HydrophobicContact CD2-CG2 4.33Å; F471-T501 PolarHBondContact N-O 2.88Å; F471-T501 PolarHBondContact O-N 2.93Å; F471-Q503 HydrophobicContact CE2-CB 3.85Å |
| 472 | D | 93.8 | Very high | 89.4 | Confident | 21 Ų | 21 | 49.4 Ų | 49.4 | 11% | 0.112 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 79.7 | -179.5 | -159.3 | 25.7 | 0 | 0 | 0 | 110.6 | R479 L481 S495 S496 | D472-R479 HydrophobicContact CB-CB 4.24Å; D472-R479 WeakPolarHBondContact CB-O 3.39Å; D472-R479 PolarHBondContact N-O 3.43Å; D472-L481 HydrophobicContact CB-CD1 4.2Å; D472-L481 HydrophobicContact CB-CD2 3.63Å; D472-L481 HydrophobicContact CB-CG 3.71Å; D472-S495 VanDerWaalsContact OD1-CA 3.22Å; D472-S495 WeakPolarHBondContact OD1-CA 3.5Å; D472-S495 WeakPolarHBondContact OD1-CB 3.11Å; D472-S496 VanDerWaalsContact CG-OG 3.25Å; D472-S496 PolarHBondContact OD1-N 3.06Å; D472-S496 PolarHBondContact OD1-OG 2.89Å; D472-S496 VanDerWaalsContact OD2-CB 3.24Å; D472-S496 WeakPolarHBondContact OD2-CB 3.09Å; D472-S496 PolarHBondContact OD2-OG 2.85Å |
| 473 | G | 92.4 | Very high | 89.9 | Confident | 14 Ų | 14 | 53.9 Ų | 53.9 | 14% | 0.144 | 30% | 0.302 | C | S | . | . | S | Bend | trans | 139.5 | -179.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114 | F471 D499 T501 | F471-G473 PolarHBondContact O-N 2.95Å; F471-G473 VanDerWaalsContact O-N 3.15Å; G473-D499 PolarHBondContact N-O 2.94Å; G473-T501 PolarHBondContact O-N 2.87Å; G473-T501 PolarHBondContact O-OG1 2.86Å |
| 474 | D | 90.9 | Very high | 90.4 | Very high | 126 Ų | 126 | 52.4 Ų | 52.4 | 67% | 0.674 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -67.8 | 131.1 | 170.7 | 177.3 | 26.7 | 0 | 0 | 0 | 111.8 | D499 | D474-D499 HydrophobicContact CB-CB 4.46Š|
| 475 | G | 90.3 | Very high | 90.8 | Very high | 15 Ų | 15 | 49.9 Ų | 49.9 | 16% | 0.155 | 28% | 0.279 | C | S | . | . | S | Bend | trans | 73.5 | 158.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | S477 A478 T501 | G475-S477 PolarHBondContact O-N 2.76Å; G475-A478 WeakPolarHBondContact O-CB 3.13Å; G475-A478 PolarHBondContact O-N 2.94Å; G475-A478 VanDerWaalsContact O-N 3.13Å; G475-T501 PolarHBondContact N-OG1 2.04Å |
| 476 | P | 87.6 | Confident | 90.7 | Very high | 66 Ų | 66 | 47.8 Ų | 47.8 | 43% | 0.429 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | 4.9 | 176.5 | 31.4 | -36.7 | 0 | 0 | 0 | 114 | F471 | F471-P476 HydrophobicContact CD2-CB 4.31Å; F471-P476 HydrophobicContact CE1-CB 4.44Å; F471-P476 WeakPolarHBondContact CE1-O 3.34Å; F471-P476 HydrophobicContact CE2-CB 3.73Å; F471-P476 HydrophobicContact CZ-CB 3.8Å |
| 477 | S | 87.6 | Confident | 90.2 | Very high | 116 Ų | 116 | 52.6 Ų | 52.6 | 81% | 0.811 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -11.6 | 169.1 | 51.1 | 0 | 0 | 0 | 0 | 113.8 | G475 | G475-S477 PolarHBondContact O-N 2.76Š|
| 478 | A | 90.9 | Very high | 89.2 | Confident | 27 Ų | 27 | 55.9 Ų | 55.9 | 22% | 0.223 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -73.4 | 179.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | F471 G475 V480 | F471-A478 HydrophobicContact CB-CB 4.08Å; F471-A478 WeakPolarHBondContact CD1-O 3.32Å; G475-A478 WeakPolarHBondContact O-CB 3.13Å; G475-A478 PolarHBondContact O-N 2.94Å; G475-A478 VanDerWaalsContact O-N 3.13Å; A478-V480 PolarHBondContact O-N 3.06Å |
| 479 | R | 92.6 | Very high | 88.1 | Confident | 185 Ų | 185 | 60.7 Ų | 60.7 | 70% | 0.698 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 122.6 | -174.3 | 174.7 | -169.7 | 173.8 | -169.6 | -0.3 | 111.1 | F471 D472 L481 | F471-R479 CarbonylContact C-O 3.38Å; F471-R479 WeakPolarHBondContact CA-O 3.35Å; D472-R479 HydrophobicContact CB-CB 4.24Å; D472-R479 WeakPolarHBondContact CB-O 3.39Å; D472-R479 PolarHBondContact N-O 3.43Å; R479-L481 PolarHBondContact O-N 2.96Å |
| 480 | V | 94 | Very high | 87.5 | Confident | 66 Ų | 66 | 68 Ų | 68 | 40% | 0.4 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 120.7 | 173.2 | 179.8 | 0 | 0 | 0 | 0 | 111.7 | T469 L470 F471 A478 Q483 | T469-V480 HydrophobicContact CG2-CG1 4.12Å; T469-V480 HydrophobicContact CG2-CG2 4.1Å; L470-V480 CarbonylContact O-C 3.5Å; L470-V480 WeakPolarHBondContact O-CA 3.46Å; F471-V480 HydrophobicContact CD1-CG2 3.75Å; F471-V480 HydrophobicContact CE1-CG2 3.69Å; A478-V480 PolarHBondContact O-N 3.06Å; V480-Q483 HydrophobicContact CG1-CG 4.14Å |
| 481 | L | 92.3 | Very high | 87 | Confident | 49 Ų | 49 | 74.4 Ų | 74.4 | 26% | 0.257 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | -44.6 | 168 | -69.8 | 176.3 | 0 | 0 | 0 | 111.4 | L470 D472 R479 L500 | L470-L481 HydrophobicContact CB-CB 4.4Å; L470-L481 PolarHBondContact O-N 2.89Å; D472-L481 HydrophobicContact CB-CD1 4.2Å; D472-L481 HydrophobicContact CB-CD2 3.63Å; D472-L481 HydrophobicContact CB-CG 3.71Å; R479-L481 PolarHBondContact O-N 2.96Å; L481-L500 HydrophobicContact CD1-CD1 3.52Å |
| 482 | A | 90.2 | Very high | 86.7 | Confident | 11 Ų | 11 | 81.5 Ų | 81.5 | 9% | 0.091 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 153.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L470 L484 L493 | L470-A482 HydrophobicContact CD1-CB 4.37Å; L470-A482 PolarHBondContact N-O 2.84Å; L470-A482 PolarHBondContact O-N 3.39Å; A482-L484 HydrophobicContact CB-CD2 4.3Å; A482-L484 HydrophobicContact CB-CG 4.47Å; A482-L493 HydrophobicContact CB-CD1 3.94Å |
| 483 | Q | 92.3 | Very high | 86.5 | Confident | 97 Ų | 97 | 81.4 Ų | 81.4 | 45% | 0.453 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 128.2 | 159.6 | -73.2 | 176.2 | -8.2 | 0 | 0 | 107.3 | M467 T469 V480 | M467-Q483 HydrophobicContact CG-CB 4.47Å; M467-Q483 HydrophobicContact SD-CB 4.14Å; M467-Q483 HydrophobicContact SD-CG 3.9Å; T469-Q483 HydrophobicContact CG2-CG 3.96Å; V480-Q483 HydrophobicContact CG1-CG 4.14Å |
| 484 | L | 89.3 | Confident | 86.5 | Confident | 9 Ų | 9 | 84.1 Ų | 84.1 | 5% | 0.047 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 128.3 | -175.5 | -58.8 | 178.2 | 0 | 0 | 0 | 108.6 | V457 L460 L468 L470 A482 | V457-L484 HydrophobicContact CG2-CD1 3.93Å; L460-L484 HydrophobicContact CD1-CB 4.24Å; L460-L484 HydrophobicContact CD2-CB 3.81Å; L468-L484 HydrophobicContact CB-CB 4.27Å; L468-L484 HydrophobicContact CD2-CD1 3.99Å; L468-L484 PolarHBondContact N-O 2.78Å; L468-L484 PolarHBondContact O-N 3.05Å; L470-L484 HydrophobicContact CD1-CD1 3.81Å; L470-L484 HydrophobicContact CD1-CG 4.48Å; A482-L484 HydrophobicContact CB-CD2 4.3Å; A482-L484 HydrophobicContact CB-CG 4.47Å |
| 485 | R | 85.8 | Confident | 86.6 | Confident | 131 Ų | 131 | 78.3 Ų | 78.3 | 49% | 0.494 | 39% | 0.392 | S | S | . | . | trans | -144.8 | 144.8 | -177.2 | -57.6 | -172.8 | -170.6 | 114.4 | 8 | 110.1 | M467 Q488 | M467-R485 HydrophobicContact CB-CG 4.3Å; M467-R485 HydrophobicContact CG-CG 4.2Å; M467-R485 PolarHBondContact SD-NH2 3.45Å; R485-Q488 PolarHBondContact O-NE2 2.97Å | ||
| 486 | G | 77.4 | Confident | 86.4 | Confident | 17 Ų | 17 | 80.2 Ų | 80.2 | 18% | 0.175 | 40% | 0.404 | C | S | . | . | S | Bend | trans | 62.9 | -171.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | L460 V462 Q488 | L460-G486 VanDerWaalsContact CD2-O 3.25Å; L460-G486 WeakPolarHBondContact CD2-O 3.36Å; V462-G486 WeakPolarHBondContact O-CA 3.42Å; G486-Q488 PolarHBondContact O-N 2.83Å |
| 487 | P | 76.1 | Confident | 86.5 | Confident | 102 Ų | 102 | 77.7 Ų | 77.7 | 66% | 0.662 | 39% | 0.389 | S | S | * | . | B | Isolated β-bridge | trans | -67.1 | 126.6 | 171 | 27.4 | -33.5 | 0 | 0 | 0 | 111.1 | L460 | L460-P487 WeakPolarHBondContact O-CA 3.38Å |
| 488 | Q | 69.7 | Low | 86.7 | Confident | 100 Ų | 100 | 72.8 Ų | 72.8 | 47% | 0.467 | 36% | 0.355 | S | S | . | . | trans | -126 | 146.9 | 178.2 | -65.5 | -67.7 | -33.1 | 0 | 0 | 111.1 | L460 R485 G486 | L460-Q488 HydrophobicContact CD2-CB 3.69Å; L460-Q488 HydrophobicContact CD2-CG 3.48Å; L460-Q488 VanDerWaalsContact CD2-CG 3.48Å; R485-Q488 PolarHBondContact O-NE2 2.97Å; G486-Q488 PolarHBondContact O-N 2.83Å | ||
| 489 | P | 70.8 | Confident | 86.9 | Confident | 100 Ų | 100 | 73.8 Ų | 73.8 | 65% | 0.649 | 36% | 0.356 | S | S | * | . | trans | -66.6 | 152.8 | 173.1 | 29.8 | -35.3 | 0 | 0 | 0 | 111.2 | R491 | P489-R491 PolarHBondContact O-N 2.89Š| ||
| 490 | R | 81.6 | Confident | 87 | Confident | 158 Ų | 158 | 65.1 Ų | 65.1 | 60% | 0.596 | 32% | 0.324 | S | S | * | . | trans | -51.8 | 123.4 | 177.6 | -68.6 | -175 | 177 | -146.3 | -5.4 | 111 | V457 E458 | V457-R490 WeakPolarHBondContact O-CA 3.39Å; E458-R490 VanDerWaalsContact CD-CZ 3.41Å; E458-R490 VanDerWaalsContact CD-NH2 3.29Å; E458-R490 WeakPolarHBondContact O-CG 3.31Å; E458-R490 PolarHBondContact O-NE 2.94Å; E458-R490 IonicContact OE1-CZ 2.84Å; E458-R490 IonicContact OE1-NH1 3.58Å; E458-R490 PolarHBondContact OE1-NH1 2.68Å; E458-R490 IonicContact OE1-NH2 3.81Å; E458-R490 PolarHBondContact OE1-NH2 3.11Å; E458-R490 IonicContact OE2-CZ 3.57Å; E458-R490 IonicContact OE2-NH1 2.76Å; E458-R490 PolarHBondContact OE2-NH1 2.76Å; E458-R490 VanDerWaalsContact OE2-NH1 3.17Å | ||
| 491 | R | 85.1 | Confident | 87.2 | Confident | 136 Ų | 136 | 62.2 Ų | 62.2 | 51% | 0.513 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 144.7 | -173.4 | -179.1 | 171.8 | 175.1 | -177.5 | -4.4 | 110.9 | V457 P489 | V457-R491 PolarHBondContact N-O 2.67Å; P489-R491 PolarHBondContact O-N 2.89Å |
| 492 | R | 89.8 | Confident | 87.4 | Confident | 166 Ų | 166 | 59.9 Ų | 59.9 | 63% | 0.626 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 144.2 | 169.4 | -69.2 | 178.7 | 178 | 162.2 | 2.4 | 110.9 | L454 L455 Q456 | L454-R492 HydrophobicContact CD1-CB 4.34Å; L455-R492 CarbonylContact O-C 3.59Å; L455-R492 WeakPolarHBondContact O-CA 3.37Å; Q456-R492 HydrophobicContact CB-CG 4.21Å; Q456-R492 HydrophobicContact CG-CG 4.18Å; Q456-R492 VanDerWaalsContact OE1-CZ 3.28Å |
| 493 | L | 90.8 | Very high | 87.6 | Confident | 19 Ų | 19 | 60.6 Ų | 60.6 | 10% | 0.099 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 151.1 | 177.8 | -64.8 | 171.8 | 0 | 0 | 0 | 108.2 | L454 L455 L470 A482 | L454-L493 WeakPolarHBondContact CA-O 3.37Å; L455-L493 HydrophobicContact CB-CB 4.45Å; L455-L493 PolarHBondContact N-O 2.86Å; L455-L493 PolarHBondContact O-N 3.36Å; L470-L493 HydrophobicContact CD1-CD1 3.34Å; A482-L493 HydrophobicContact CB-CD1 3.94Å |
| 494 | L | 90.8 | Very high | 87.7 | Confident | 70 Ų | 70 | 56 Ų | 56 | 37% | 0.366 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 128.8 | -174.3 | -175.9 | 69.9 | 0 | 0 | 0 | 108.8 | R452 I453 L454 V526 | R452-L494 HydrophobicContact CB-CD1 3.99Å; I453-L494 WeakPolarHBondContact O-CA 3.36Å; L454-L494 HydrophobicContact CB-CD1 4.34Å; L454-L494 HydrophobicContact CD1-CD1 4.22Å; L494-V526 HydrophobicContact CD1-CG2 3.53Å |
| 495 | S | 93.1 | Very high | 87.9 | Confident | 4 Ų | 4 | 58.6 Ų | 58.6 | 3% | 0.028 | 29% | 0.286 | C | S | . | . | trans | -73.5 | 164.9 | 171.8 | 65.2 | 0 | 0 | 0 | 0 | 111.8 | R452 I453 D472 G497 | R452-S495 WeakPolarHBondContact CD-O 3.32Å; R452-S495 VanDerWaalsContact CG-O 3.32Å; R452-S495 WeakPolarHBondContact CG-O 3.5Å; R452-S495 PolarHBondContact NE-O 2.83Å; I453-S495 PolarHBondContact N-OG 2.88Å; I453-S495 PolarHBondContact O-N 2.84Å; D472-S495 VanDerWaalsContact OD1-CA 3.22Å; D472-S495 WeakPolarHBondContact OD1-CA 3.5Å; D472-S495 WeakPolarHBondContact OD1-CB 3.11Å; S495-G497 PolarHBondContact OG-O 2.88Å | ||
| 496 | S | 87.6 | Confident | 88 | Confident | 56 Ų | 56 | 52.5 Ų | 52.5 | 39% | 0.392 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -90.4 | -20.8 | 173.5 | 66.3 | 0 | 0 | 0 | 0 | 113.5 | R452 D472 R528 | R452-S496 PolarHBondContact NE-O 2.9Å; R452-S496 PolarHBondContact NH2-O 3.29Å; R452-S496 VanDerWaalsContact NH2-O 3.16Å; D472-S496 VanDerWaalsContact CG-OG 3.25Å; D472-S496 PolarHBondContact OD1-N 3.06Å; D472-S496 PolarHBondContact OD1-OG 2.89Å; D472-S496 VanDerWaalsContact OD2-CB 3.24Å; D472-S496 WeakPolarHBondContact OD2-CB 3.09Å; D472-S496 PolarHBondContact OD2-OG 2.85Å; S496-R528 PolarHBondContact O-NE 3.36Å; S496-R528 PolarHBondContact O-NH2 3.48Å |
| 497 | G | 88.1 | Confident | 88.4 | Confident | 12 Ų | 12 | 54.7 Ų | 54.7 | 12% | 0.124 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -136.8 | -165 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | K451 S495 D499 | K451-G497 CarbonylContact O-C 3.43Å; S495-G497 PolarHBondContact OG-O 2.88Å; G497-D499 VanDerWaalsContact C-N 3.33Å; G497-D499 PolarHBondContact O-N 3.22Å |
| 498 | P | 91.8 | Very high | 88.6 | Confident | 13 Ų | 13 | 55.5 Ų | 55.5 | 8% | 0.084 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -74.3 | -17.8 | -175.1 | 30.6 | -36.2 | 0 | 0 | 0 | 114.3 | V447 I453 | V447-P498 HydrophobicContact CG2-CB 4.32Å; V447-P498 WeakPolarHBondContact CG2-O 3.28Å; V447-P498 PolarHBondContact N-O 2.86Å; V447-P498 WeakPolarHBondContact O-CB 3.47Å; I453-P498 WeakPolarHBondContact CD1-O 3.24Å |
| 499 | D | 94.9 | Very high | 88.6 | Confident | 49 Ų | 49 | 52.4 Ų | 52.4 | 26% | 0.262 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 144 | -174.2 | -37.6 | -67.5 | 0 | 0 | 0 | 112.5 | V445 H446 G473 D474 G497 | V445-D499 CarbonylContact O-C 3.58Å; V445-D499 WeakPolarHBondContact O-CA 3.5Å; H446-D499 IonicContact CE1-OD1 2.7Å; H446-D499 IonicContact CG-OD1 3.38Å; H446-D499 IonicContact ND1-OD1 3.52Å; H446-D499 PolarHBondContact ND1-OD1 3.08Å; G473-D499 PolarHBondContact N-O 2.94Å; D474-D499 HydrophobicContact CB-CB 4.46Å; G497-D499 VanDerWaalsContact C-N 3.33Å; G497-D499 PolarHBondContact O-N 3.22Å |
| 500 | L | 96.3 | Very high | 88.2 | Confident | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 118.2 | 175.6 | 176.3 | 76.6 | 0 | 0 | 0 | 109.3 | V445 I453 L455 L481 L502 | V445-L500 HydrophobicContact CB-CB 4.42Å; V445-L500 WeakPolarHBondContact CB-O 3.44Å; V445-L500 PolarHBondContact N-O 3Å; V445-L500 PolarHBondContact O-N 3.23Å; I453-L500 HydrophobicContact CB-CB 4.35Å; I453-L500 HydrophobicContact CB-CD2 4.33Å; I453-L500 HydrophobicContact CD1-CB 3.53Å; I453-L500 HydrophobicContact CG2-CD2 3.72Å; L455-L500 HydrophobicContact CB-CD2 4.16Å; L455-L500 HydrophobicContact CD1-CD2 4.26Å; L455-L500 HydrophobicContact CD2-CD2 4.34Å; L455-L500 HydrophobicContact CG-CD2 4.49Å; L481-L500 HydrophobicContact CD1-CD1 3.52Å; L500-L502 HydrophobicContact CD2-CD1 4.29Å; L500-L502 HydrophobicContact CG-CD1 4.31Å |
| 501 | T | 97.1 | Very high | 87.1 | Confident | 4 Ų | 4 | 49.5 Ų | 49.5 | 3% | 0.025 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 134.3 | 175.4 | -56.3 | 0 | 0 | 0 | 0 | 110.9 | V442 F471 G473 G475 | V442-T501 HydrophobicContact CG1-CG2 3.77Å; F471-T501 HydrophobicContact CD2-CG2 4.33Å; F471-T501 PolarHBondContact N-O 2.88Å; F471-T501 PolarHBondContact O-N 2.93Å; G473-T501 PolarHBondContact O-N 2.87Å; G473-T501 PolarHBondContact O-OG1 2.86Å; G475-T501 PolarHBondContact N-OG1 2.04Å |
| 502 | L | 96.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 129.3 | 174.8 | -56 | 90.7 | 0 | 0 | 0 | 109.1 | V426 V442 W443 V445 L455 L470 L500 L521 | V426-L502 HydrophobicContact CG2-CD2 4.34Å; V442-L502 CarbonylContact C-O 3.58Å; V442-L502 WeakPolarHBondContact CA-O 3.37Å; W443-L502 HydrophobicContact CB-CB 4.43Å; W443-L502 HydrophobicContact CB-CD1 4.41Å; W443-L502 HydrophobicContact CE3-CB 4.24Å; W443-L502 PolarHBondContact N-O 3.21Å; W443-L502 PolarHBondContact O-N 2.99Å; V445-L502 HydrophobicContact CG2-CD1 3.46Å; V445-L502 VanDerWaalsContact CG2-CD1 3.46Å; L455-L502 HydrophobicContact CD1-CD2 4.35Å; L455-L502 HydrophobicContact CD2-CD2 4.24Å; L470-L502 HydrophobicContact CD2-CB 4Å; L470-L502 HydrophobicContact CD2-CD2 3.53Å; L470-L502 HydrophobicContact CD2-CG 3.55Å; L500-L502 HydrophobicContact CD2-CD1 4.29Å; L500-L502 HydrophobicContact CG-CD1 4.31Å; L502-L521 HydrophobicContact CD2-CD1 3.5Å |
| 503 | Q | 95.8 | Very high | 83.8 | Confident | 26 Ų | 26 | 46 Ų | 46 | 12% | 0.121 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 124.2 | 172.8 | -177 | 169.4 | 23.4 | 0 | 0 | 110.6 | D440 C441 V442 L468 T469 F471 Q505 | D440-Q503 PolarHBondContact OD1-NE2 3.07Å; D440-Q503 PolarHBondContact OD2-NE2 2.98Å; C441-Q503 CarbonylContact O-C 3.47Å; C441-Q503 VanDerWaalsContact O-CA 3.31Å; C441-Q503 WeakPolarHBondContact O-CA 3.17Å; V442-Q503 HydrophobicContact CG2-CB 4.31Å; V442-Q503 HydrophobicContact CG2-CG 3.93Å; L468-Q503 CarbonylContact C-O 3.59Å; L468-Q503 WeakPolarHBondContact CA-O 3.2Å; T469-Q503 PolarHBondContact N-O 3.15Å; T469-Q503 PolarHBondContact O-N 3.45Å; F471-Q503 HydrophobicContact CE2-CB 3.85Å; Q503-Q505 HydrophobicContact CG-CG 4.17Å; Q503-Q505 VanDerWaalsContact NE2-NE2 3.14Å |
| 504 | F | 94.6 | Very high | 82 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 122.1 | 173.6 | 176.7 | -119.2 | 0 | 0 | 0 | 110.9 | Y435 D440 C441 W443 V462 D466 L468 A506 F519 | Y435-F504 HydrophobicContact CD1-CE1 4.47Å; Y435-F504 HydrophobicContact CD1-CZ 4.33Å; Y435-F504 AromaticContact CD2-CE1 3.79Å; Y435-F504 HydrophobicContact CD2-CE1 3.79Å; Y435-F504 AromaticContact CD2-CZ 3.84Å; Y435-F504 HydrophobicContact CD2-CZ 3.84Å; Y435-F504 HydrophobicContact CE1-CZ 4.06Å; Y435-F504 AromaticContact CE2-CE1 3.99Å; Y435-F504 HydrophobicContact CE2-CE1 3.99Å; Y435-F504 AromaticContact CE2-CZ 3.54Å; Y435-F504 HydrophobicContact CE2-CZ 3.54Å; Y435-F504 HydrophobicContact CG-CE1 4.06Å; Y435-F504 HydrophobicContact CG-CZ 4.23Å; Y435-F504 AromaticContact CZ-CZ 3.65Å; D440-F504 CarbonylContact C-O 3.6Å; D440-F504 WeakPolarHBondContact CA-O 3.19Å; C441-F504 PolarHBondContact N-O 3.5Å; C441-F504 PolarHBondContact O-N 3.5Å; W443-F504 HydrophobicContact CH2-CB 4.11Å; W443-F504 HydrophobicContact CZ3-CB 3.71Å; V462-F504 HydrophobicContact CB-CE2 4.36Å; V462-F504 HydrophobicContact CG1-CE2 3.84Å; V462-F504 HydrophobicContact CG1-CZ 4.4Å; D466-F504 HydrophobicContact CB-CE2 4.14Å; D466-F504 HydrophobicContact CB-CZ 4.39Å; L468-F504 HydrophobicContact CB-CD2 4.29Å; L468-F504 HydrophobicContact CD1-CB 4.25Å; F504-A506 HydrophobicContact CE1-CB 3.86Å; F504-A506 HydrophobicContact CZ-CB 3.84Å; F504-F519 HydrophobicContact CB-CE1 3.95Å; F504-F519 HydrophobicContact CB-CZ 4.03Å; F504-F519 AromaticContact CD1-CE1 3.93Å; F504-F519 HydrophobicContact CD1-CE1 3.93Å; F504-F519 HydrophobicContact CD1-CZ 4.49Å; F504-F519 HydrophobicContact CD2-CD1 4.35Å; F504-F519 AromaticContact CD2-CE1 3.62Å; F504-F519 HydrophobicContact CD2-CE1 3.62Å; F504-F519 HydrophobicContact CE1-CE1 4.33Å; F504-F519 HydrophobicContact CE2-CD1 4.47Å; F504-F519 HydrophobicContact CE2-CE1 4.05Å; F504-F519 AromaticContact CG-CE1 3.55Å; F504-F519 HydrophobicContact CG-CE1 3.55Å; F504-F519 HydrophobicContact CG-CZ 4.11Å; F504-F519 HydrophobicContact CZ-CE1 4.38Å |
| 505 | Q | 92.6 | Very high | 80.3 | Confident | 64 Ų | 64 | 50.1 Ų | 50.1 | 30% | 0.299 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 119.1 | 179 | -76 | 175 | -25.2 | 0 | 0 | 110.2 | D440 D466 M467 Q503 | D440-Q505 HydrophobicContact CB-CG 4.45Å; D440-Q505 VanDerWaalsContact OD1-CG 3.25Å; D440-Q505 WeakPolarHBondContact OD1-CG 3.03Å; D440-Q505 PolarHBondContact OD2-NE2 2.99Å; D466-Q505 WeakPolarHBondContact CA-O 3.46Å; M467-Q505 PolarHBondContact N-O 2.72Å; M467-Q505 PolarHBondContact O-N 3Å; Q503-Q505 HydrophobicContact CG-CG 4.17Å; Q503-Q505 VanDerWaalsContact NE2-NE2 3.14Å |
| 506 | A | 89 | Confident | 78.6 | Confident | 3 Ų | 3 | 50.3 Ų | 50.3 | 3% | 0.025 | 33% | 0.327 | C | S | . | . | trans | -119 | 96.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y435 G438 Q439 D466 F504 | Y435-A506 HydrophobicContact CD2-CB 4.21Å; Y435-A506 HydrophobicContact CE2-CB 3.94Å; G438-A506 CarbonylContact C-O 3.45Å; G438-A506 WeakPolarHBondContact CA-O 3.42Å; G438-A506 PolarHBondContact N-O 3.44Å; Q439-A506 HydrophobicContact CB-CB 4.3Å; Q439-A506 PolarHBondContact N-O 3.05Å; Q439-A506 PolarHBondContact O-N 3.18Å; D466-A506 VanDerWaalsContact OD1-CA 3.3Å; D466-A506 WeakPolarHBondContact OD1-CA 3.02Å; F504-A506 HydrophobicContact CE1-CB 3.86Å; F504-A506 HydrophobicContact CZ-CB 3.84Å | ||
| 507 | P | 84.7 | Confident | 77.6 | Confident | 63 Ų | 63 | 53.5 Ų | 53.5 | 41% | 0.409 | 34% | 0.336 | S | S | . | . | trans | -50.6 | 148.6 | -179 | 15.2 | -31.9 | 0 | 0 | 0 | 114.4 | R463 D466 | R463-P507 PolarHBondContact NH2-O 2.89Å; D466-P507 VanDerWaalsContact OD1-CD 3.28Å; D466-P507 WeakPolarHBondContact OD1-CD 3.41Å | ||
| 508 | P | 80.6 | Confident | 77.5 | Confident | 119 Ų | 119 | 52.9 Ų | 52.9 | 77% | 0.773 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -64.9 | 137.7 | 175.7 | 28.4 | -34.9 | 0 | 0 | 0 | 110.5 | ||
| 509 | G | 68.9 | Low | 77.4 | Confident | 36 Ų | 36 | 52.3 Ų | 52.3 | 37% | 0.371 | 33% | 0.326 | S | S | . | . | trans | -178.5 | 176.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | P437 | P437-G509 WeakPolarHBondContact CB-O 3.39Å; P437-G509 WeakPolarHBondContact CG-O 3.5Å | ||
| 510 | P | 64.3 | Low | 77.3 | Confident | 92 Ų | 92 | 50.5 Ų | 50.5 | 60% | 0.597 | 32% | 0.317 | S | S | * | . | trans | -60.4 | 145.3 | 177.2 | 26.9 | -34.6 | 0 | 0 | 0 | 111 | N512 | P510-N512 PolarHBondContact O-N 3Å; P510-N512 VanDerWaalsContact O-N 3.08Å | ||
| 511 | P | 57.9 | Low | 77.2 | Confident | 105 Ų | 105 | 50.4 Ų | 50.4 | 68% | 0.682 | 32% | 0.316 | S | S | * | . | trans | -68.5 | 104.4 | 169 | 28.8 | -32.4 | 0 | 0 | 0 | 108.7 | P513 | P511-P513 VanDerWaalsContact O-CD 3.25Å; P511-P513 WeakPolarHBondContact O-CD 3.44Å | ||
| 512 | N | 54.8 | Low | 77.1 | Confident | 102 Ų | 102 | 53.7 Ų | 53.7 | 55% | 0.545 | 33% | 0.331 | S | S | . | . | trans | -86.4 | 108.3 | 173.1 | -79.1 | -0.7 | 0 | 0 | 0 | 108.9 | P510 G514 | P510-N512 PolarHBondContact O-N 3Å; P510-N512 VanDerWaalsContact O-N 3.08Å; N512-G514 PolarHBondContact O-N 2.93Å | ||
| 513 | P | 51 | Low | 77.1 | Confident | 126 Ų | 126 | 54 Ų | 54 | 82% | 0.818 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | 129.7 | 178.4 | 26.1 | -33.8 | 0 | 0 | 0 | 111 | P511 | P511-P513 VanDerWaalsContact O-CD 3.25Å; P511-P513 WeakPolarHBondContact O-CD 3.44Å |
| 514 | G | 51.8 | Low | 77.1 | Confident | 63 Ų | 63 | 57.9 Ų | 57.9 | 65% | 0.649 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.7 | -0.4 | 163.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | N512 | N512-G514 PolarHBondContact O-N 2.93Š|
| 515 | L | 54.9 | Low | 77 | Confident | 112 Ų | 112 | 60.4 Ų | 60.4 | 59% | 0.586 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -109.6 | 1.2 | -177.2 | -148.1 | 74.8 | 0 | 0 | 0 | 115.8 | ||
| 516 | G | 57.3 | Low | 76.9 | Confident | 9 Ų | 9 | 58.6 Ų | 58.6 | 9% | 0.093 | 35% | 0.354 | C | S | . | . | trans | -132.2 | 74.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113 | N461 G518 | N461-G516 CarbonylContact O-C 3.56Å; N461-G516 WeakPolarHBondContact O-CA 3.35Å; G516-G518 PolarHBondContact O-N 3.08Å | ||
| 517 | Q | 67 | Low | 76.5 | Confident | 122 Ų | 122 | 63.3 Ų | 63.3 | 57% | 0.57 | 38% | 0.384 | S | S | * | . | trans | -79.1 | 52.4 | 174.9 | -55.8 | 173 | -33.4 | 0 | 0 | 111.8 | W431 N461 | W431-Q517 WeakPolarHBondContact CZ3-O 3.05Å; N461-Q517 HydrophobicContact CB-CB 3.99Å; N461-Q517 WeakPolarHBondContact ND2-CB 3.41Å; N461-Q517 PolarHBondContact ND2-OE1 3.06Å; N461-Q517 CarbonylContact O-C 3.54Å; N461-Q517 PolarHBondContact O-N 2.7Å | ||
| 518 | G | 85.9 | Confident | 76 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 38% | 0.384 | C | S | . | . | trans | 52.2 | -150.3 | 165 | 0 | 0 | 0 | 0 | 0 | 117.5 | S428 N461 G516 | S428-G518 WeakPolarHBondContact OG-CA 3.4Å; N461-G518 CarbonylContact C-O 3.46Å; N461-G518 PolarHBondContact N-O 2.87Å; N461-G518 PolarHBondContact O-N 2.82Å; G516-G518 PolarHBondContact O-N 3.08Å | ||
| 519 | F | 90.6 | Very high | 75.3 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 155.8 | 170.7 | 58.4 | -104.1 | 0 | 0 | 0 | 112.2 | V426 L427 S428 W443 I459 L460 V462 L468 F504 L521 | V426-F519 HydrophobicContact CG1-CE2 4.37Å; L427-F519 VanDerWaalsContact C-CE2 3.45Å; L427-F519 WeakPolarHBondContact O-CE2 3.38Å; S428-F519 PolarHBondContact N-O 2.88Å; S428-F519 VanDerWaalsContact N-O 3.08Å; S428-F519 PolarHBondContact OG-N 3.17Å; W443-F519 HydrophobicContact CH2-CE2 4.42Å; W443-F519 AromaticContact CH2-CZ 3.76Å; W443-F519 HydrophobicContact CH2-CZ 3.76Å; W443-F519 HydrophobicContact CZ3-CZ 4Å; I459-F519 CarbonylContact O-C 3.47Å; I459-F519 VanDerWaalsContact O-CA 3.32Å; I459-F519 WeakPolarHBondContact O-CA 3.3Å; I459-F519 WeakPolarHBondContact O-CB 3.28Å; L460-F519 HydrophobicContact CD1-CB 3.98Å; V462-F519 HydrophobicContact CG1-CD1 3.99Å; L468-F519 HydrophobicContact CD1-CZ 4.35Å; F504-F519 HydrophobicContact CB-CE1 3.95Å; F504-F519 HydrophobicContact CB-CZ 4.03Å; F504-F519 AromaticContact CD1-CE1 3.93Å; F504-F519 HydrophobicContact CD1-CE1 3.93Å; F504-F519 HydrophobicContact CD1-CZ 4.49Å; F504-F519 HydrophobicContact CD2-CD1 4.35Å; F504-F519 AromaticContact CD2-CE1 3.62Å; F504-F519 HydrophobicContact CD2-CE1 3.62Å; F504-F519 HydrophobicContact CE1-CE1 4.33Å; F504-F519 HydrophobicContact CE2-CD1 4.47Å; F504-F519 HydrophobicContact CE2-CE1 4.05Å; F504-F519 AromaticContact CG-CE1 3.55Å; F504-F519 HydrophobicContact CG-CE1 3.55Å; F504-F519 HydrophobicContact CG-CZ 4.11Å; F504-F519 HydrophobicContact CZ-CE1 4.38Å; F519-L521 HydrophobicContact CD2-CD1 3.79Å; F519-L521 HydrophobicContact CD2-CD2 4.49Å; F519-L521 HydrophobicContact CD2-CG 3.79Å; F519-L521 HydrophobicContact CE2-CD1 3.9Å; F519-L521 HydrophobicContact CE2-CG 4.36Å |
| 520 | V | 92.2 | Very high | 75.1 | Confident | 12 Ų | 12 | 65.1 Ų | 65.1 | 7% | 0.073 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 118.5 | 174.3 | -177.6 | 0 | 0 | 0 | 0 | 108.3 | V425 L427 W431 E458 I459 | V425-V520 HydrophobicContact CG1-CG1 3.9Å; L427-V520 HydrophobicContact CD2-CB 4.31Å; L427-V520 HydrophobicContact CD2-CG1 3.99Å; L427-V520 HydrophobicContact CD2-CG2 3.89Å; W431-V520 HydrophobicContact CD2-CG2 3.95Å; W431-V520 HydrophobicContact CE3-CG2 4.04Å; W431-V520 HydrophobicContact CH2-CG2 3.5Å; W431-V520 VanDerWaalsContact CH2-CG2 3.5Å; W431-V520 HydrophobicContact CZ2-CG2 3.34Å; W431-V520 HydrophobicContact CZ3-CG2 3.82Å; E458-V520 HydrophobicContact CB-CB 4.31Å; E458-V520 HydrophobicContact CB-CG1 4.2Å; E458-V520 WeakPolarHBondContact CB-O 3.5Å; E458-V520 HydrophobicContact CG-CG1 4.38Å; E458-V520 PolarHBondContact N-O 2.96Å; I459-V520 HydrophobicContact CB-CB 4.09Å; I459-V520 HydrophobicContact CB-CG2 4.16Å; I459-V520 HydrophobicContact CD1-CG2 4.1Å; I459-V520 HydrophobicContact CG1-CB 4.41Å; I459-V520 HydrophobicContact CG1-CG2 4.4Å; I459-V520 PolarHBondContact N-O 3.33Å; I459-V520 PolarHBondContact O-N 3.26Å |
| 521 | L | 94.3 | Very high | 75.5 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 118.4 | -176 | -47.1 | 170.5 | 0 | 0 | 0 | 108.8 | V425 V426 L455 V457 L468 L502 F519 | V425-L521 CarbonylContact C-O 3.57Å; V425-L521 WeakPolarHBondContact CA-O 3.25Å; V426-L521 HydrophobicContact CB-CB 4.31Å; V426-L521 HydrophobicContact CB-CD1 4.38Å; V426-L521 PolarHBondContact N-O 3.31Å; V426-L521 PolarHBondContact O-N 3.44Å; L455-L521 HydrophobicContact CD1-CB 4.03Å; V457-L521 HydrophobicContact CB-CD2 4.25Å; V457-L521 HydrophobicContact CG1-CD2 4.06Å; V457-L521 HydrophobicContact CG2-CD2 4Å; L468-L521 HydrophobicContact CD1-CD1 4.43Å; L468-L521 HydrophobicContact CD2-CD1 3.65Å; L468-L521 HydrophobicContact CD2-CD2 4.07Å; L468-L521 HydrophobicContact CD2-CG 4.44Å; L502-L521 HydrophobicContact CD2-CD1 3.5Å; F519-L521 HydrophobicContact CD2-CD1 3.79Å; F519-L521 HydrophobicContact CD2-CD2 4.49Å; F519-L521 HydrophobicContact CD2-CG 3.79Å; F519-L521 HydrophobicContact CE2-CD1 3.9Å; F519-L521 HydrophobicContact CE2-CG 4.36Å |
| 522 | H | 95.3 | Very high | 76.5 | Confident | 73 Ų | 73 | 58.5 Ų | 58.5 | 34% | 0.338 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 131.5 | 174 | -68.8 | -98.8 | 0 | 0 | 0 | 109.4 | G424 L455 Q456 | G424-H522 WeakPolarHBondContact O-CA 3.34Å; L455-H522 CarbonylContact C-O 3.5Å; L455-H522 WeakPolarHBondContact CA-O 3.38Å; Q456-H522 PolarHBondContact N-O 2.89Å; Q456-H522 PolarHBondContact O-N 3.4Å |
| 523 | F | 95.8 | Very high | 78 | Confident | 8 Ų | 8 | 57.6 Ų | 57.6 | 4% | 0.035 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 152.3 | 173.2 | 72.4 | -89.4 | 0 | 0 | 0 | 110.8 | L419 E421 A423 G424 V426 V445 I453 L454 L455 | L419-F523 HydrophobicContact CB-CZ 4.08Å; L419-F523 HydrophobicContact CD1-CE1 4.05Å; L419-F523 HydrophobicContact CD1-CZ 4.42Å; E421-F523 WeakPolarHBondContact O-CE2 3.18Å; A423-F523 VanDerWaalsContact CA-O 3.3Å; A423-F523 WeakPolarHBondContact CA-O 3.39Å; G424-F523 VanDerWaalsContact C-CD1 3.47Å; G424-F523 VanDerWaalsContact CA-CE1 3.42Å; G424-F523 PolarHBondContact N-O 3Å; G424-F523 WeakPolarHBondContact O-CD1 3.49Å; G424-F523 PolarHBondContact O-N 3.08Å; V426-F523 HydrophobicContact CG2-CD1 4.11Å; V426-F523 HydrophobicContact CG2-CE1 4.26Å; V445-F523 HydrophobicContact CG1-CD2 3.52Å; V445-F523 HydrophobicContact CG1-CE1 4.48Å; V445-F523 HydrophobicContact CG1-CE2 3.48Å; V445-F523 VanDerWaalsContact CG1-CE2 3.48Å; V445-F523 HydrophobicContact CG1-CG 4.06Å; V445-F523 HydrophobicContact CG1-CZ 4Å; I453-F523 HydrophobicContact CG2-CB 3.92Å; L454-F523 WeakPolarHBondContact O-CA 3.43Å; L455-F523 HydrophobicContact CD1-CB 3.84Å |
| 524 | K | 95.1 | Very high | 79.6 | Confident | 106 Ų | 106 | 58.5 Ų | 58.5 | 46% | 0.461 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 154.4 | 168.2 | 62.8 | 171.3 | -173.2 | 167.1 | 0 | 112.4 | P422 A423 L454 V526 | P422-K524 CarbonylContact O-C 3.59Å; P422-K524 WeakPolarHBondContact O-CA 3.46Å; A423-K524 HydrophobicContact CB-CB 3.73Å; L454-K524 HydrophobicContact CB-CG 4.35Å; L454-K524 PolarHBondContact N-O 2.84Å; L454-K524 PolarHBondContact O-N 2.75Å; L454-K524 VanDerWaalsContact O-N 3.11Å; K524-V526 HydrophobicContact CG-CG1 4.48Å |
| 525 | E | 93.7 | Very high | 81.3 | Confident | 53 Ų | 53 | 56.7 Ų | 56.7 | 25% | 0.248 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 144.6 | 166 | 69.9 | 169 | -125.6 | 0 | 0 | 111.2 | P422 V447 Q448 K451 R452 | P422-E525 HydrophobicContact CB-CG 4.03Å; P422-E525 PolarHBondContact O-N 2.87Å; V447-E525 HydrophobicContact CB-CB 4.2Å; V447-E525 HydrophobicContact CG1-CB 4.18Å; V447-E525 HydrophobicContact CG2-CB 4.35Å; Q448-E525 PolarHBondContact NE2-OE2 3Å; K451-E525 HydrophobicContact CB-CB 4.23Å; K451-E525 HydrophobicContact CG-CB 4.3Å; R452-E525 CarbonylContact O-C 3.51Å; R452-E525 WeakPolarHBondContact O-CA 3.25Å |
| 526 | V | 89.1 | Confident | 82.8 | Confident | 27 Ų | 27 | 55.4 Ų | 55.4 | 16% | 0.164 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 151.5 | 170.1 | -68.9 | 0 | 0 | 0 | 0 | 109.1 | R452 L454 L494 K524 | R452-V526 HydrophobicContact CB-CG2 4.03Å; R452-V526 PolarHBondContact N-O 2.94Å; R452-V526 WeakPolarHBondContact O-CG2 3.27Å; R452-V526 PolarHBondContact O-N 3.26Å; L454-V526 HydrophobicContact CB-CG1 3.75Å; L454-V526 HydrophobicContact CB-CG2 4.02Å; L454-V526 HydrophobicContact CD2-CG1 4.27Å; L494-V526 HydrophobicContact CD1-CG2 3.53Å; K524-V526 HydrophobicContact CG-CG1 4.48Å |
| 527 | P | 82.1 | Confident | 84.4 | Confident | 101 Ų | 101 | 58.7 Ų | 58.7 | 66% | 0.656 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 151.8 | 173.3 | 26.5 | -35.4 | 0 | 0 | 0 | 111.1 | N529 | P527-N529 PolarHBondContact O-N 3.27Å |
| 528 | R | 73.8 | Confident | 85.6 | Confident | 105 Ų | 105 | 53.7 Ų | 53.7 | 40% | 0.396 | 29% | 0.289 | S | S | . | . | trans | -68.8 | 103.6 | -176.9 | -153 | 168.9 | -160.2 | -156.4 | 3 | 110 | R452 S496 D530 T531 | R452-R528 HydrophobicContact CG-CG 4.12Å; S496-R528 PolarHBondContact O-NE 3.36Å; S496-R528 PolarHBondContact O-NH2 3.48Å; R528-D530 PolarHBondContact O-N 3.38Å; R528-T531 PolarHBondContact O-N 3.5Å; R528-T531 PolarHBondContact O-OG1 3.39Å | ||
| 529 | N | 65.4 | Low | 85.8 | Confident | 112 Ų | 112 | 61.4 Ų | 61.4 | 60% | 0.599 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | 34.2 | -177.2 | -160.8 | 92.8 | 0 | 0 | 0 | 114.7 | P527 L578 | P527-N529 PolarHBondContact O-N 3.27Å; N529-L578 WeakPolarHBondContact O-CD1 3.2Å |
| 530 | D | 65 | Low | 85.8 | Confident | 39 Ų | 39 | 68 Ų | 68 | 21% | 0.209 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 14.5 | 168.6 | -64.2 | -4.5 | 0 | 0 | 0 | 110.9 | R452 R528 I551 R552 L578 | R452-D530 IonicContact CZ-OD1 3.63Å; R452-D530 IonicContact CZ-OD2 3.69Å; R452-D530 VanDerWaalsContact NH1-CG 3.26Å; R452-D530 IonicContact NH1-OD1 3.44Å; R452-D530 PolarHBondContact NH1-OD1 2.91Å; R452-D530 IonicContact NH1-OD2 3.8Å; R452-D530 VanDerWaalsContact NH2-CG 3.3Å; R452-D530 IonicContact NH2-OD1 3.8Å; R452-D530 PolarHBondContact NH2-OD1 3.27Å; R452-D530 IonicContact NH2-OD2 3.59Å; R452-D530 PolarHBondContact NH2-OD2 3.5Å; R528-D530 PolarHBondContact O-N 3.38Å; D530-I551 WeakPolarHBondContact O-CA 3.41Å; D530-R552 PolarHBondContact O-N 2.81Å; D530-R552 VanDerWaalsContact O-N 3.14Å; D530-R552 IonicContact OD1-NH1 2.96Å; D530-R552 IonicContact OD2-NH1 3.14Å; D530-L578 WeakPolarHBondContact O-CD2 3.25Å |
| 531 | T | 72 | Confident | 85.8 | Confident | 54 Ų | 54 | 68.2 Ų | 68.2 | 33% | 0.331 | 36% | 0.355 | S | S | . | . | B | Isolated β-bridge | trans | -89.9 | 133.5 | 177.2 | 49.4 | 0 | 0 | 0 | 0 | 112.2 | R528 L550 I551 | R528-T531 PolarHBondContact O-N 3.5Å; R528-T531 PolarHBondContact O-OG1 3.39Å; T531-L550 CarbonylContact C-O 3.56Å; T531-L550 VanDerWaalsContact CA-O 3.31Å; T531-L550 WeakPolarHBondContact CA-O 3.46Å; T531-I551 HydrophobicContact CG2-CG2 3.95Å |
| 532 | C | 80.6 | Confident | 85.7 | Confident | 4 Ų | 4 | 73.3 Ų | 73.3 | 3% | 0.027 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 156.2 | 167 | -74.6 | 0 | 0 | 0 | 0 | 111.7 | L550 C574 L578 S579 W580 | C532-L550 PolarHBondContact N-O 2.89Å; C532-C574 HydrophobicContact CB-CB 3.89Å; C532-C574 WeakPolarHBondContact CB-SG 3.45Å; C532-C574 WeakPolarHBondContact SG-CA 3.09Å; C532-C574 WeakPolarHBondContact SG-CB 3.24Å; C532-C574 CovalentContact SG-SG 2.03Å; C532-C574 PolarHBondContact SG-SG 3.36Å; C532-L578 PolarHBondContact SG-O 3.36Å; C532-L578 VanDerWaalsContact SG-O 3.36Å; C532-S579 PolarHBondContact SG-O 2.87Å; C532-S579 VanDerWaalsContact SG-O 3.35Å; C532-W580 HydrophobicContact CB-CD2 4.25Å; C532-W580 HydrophobicContact CB-CH2 4.36Å; C532-W580 HydrophobicContact CB-CZ2 3.62Å |
| 533 | P | 84.8 | Confident | 85.6 | Confident | 84 Ų | 84 | 72.9 Ų | 72.9 | 55% | 0.545 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 143.1 | 175.5 | -25.4 | 33.9 | 0 | 0 | 0 | 112.6 | L535 L578 W580 | P533-L535 PolarHBondContact O-N 2.87Å; P533-L578 VanDerWaalsContact CD-O 3.25Å; P533-L578 WeakPolarHBondContact CD-O 3.38Å; P533-W580 PolarHBondContact O-NE1 2.85Å |
| 534 | E | 84.1 | Confident | 85.4 | Confident | 145 Ų | 145 | 75.6 Ų | 75.6 | 68% | 0.678 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -71.8 | 132.9 | 175.7 | -177.1 | 156.6 | -139.8 | 0 | 0 | 111.8 | R543 L550 | E534-R543 IonicContact OE1-CZ 3.64Å; E534-R543 IonicContact OE1-NH1 3.4Å; E534-R543 IonicContact OE1-NH2 3.53Å; E534-R543 PolarHBondContact OE1-NH2 2.82Å; E534-L550 HydrophobicContact CB-CD1 3.91Å; E534-L550 HydrophobicContact CG-CD1 4.09Å |
| 535 | L | 88.4 | Confident | 85.2 | Confident | 25 Ų | 25 | 73 Ų | 73 | 13% | 0.131 | 38% | 0.384 | C | S | . | . | trans | -105.1 | 138.9 | 174.8 | -62.3 | 178.7 | 0 | 0 | 0 | 110 | P533 R543 L556 Y558 L572 W580 P584 | P533-L535 PolarHBondContact O-N 2.87Å; L535-R543 PolarHBondContact O-NE 2.92Å; L535-R543 VanDerWaalsContact O-NE 3.07Å; L535-R543 PolarHBondContact O-NH1 3.31Å; L535-R543 VanDerWaalsContact O-NH1 3.15Å; L535-R543 PolarHBondContact O-NH2 2.93Å; L535-L556 HydrophobicContact CD1-CD1 4.26Å; L535-Y558 WeakPolarHBondContact CB-OH 3.45Å; L535-L572 HydrophobicContact CD1-CD2 3.52Å; L535-W580 HydrophobicContact CD1-CB 4.44Å; L535-W580 HydrophobicContact CD1-CD2 4.04Å; L535-W580 HydrophobicContact CD1-CG 3.77Å; L535-W580 HydrophobicContact CG-CG 4.44Å; L535-P584 HydrophobicContact CD1-CB 4.36Å; L535-P584 HydrophobicContact CD2-CG 4.36Å | ||
| 536 | P | 87.3 | Confident | 84.8 | Confident | 85 Ų | 85 | 73.5 Ų | 73.5 | 55% | 0.552 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 158.6 | 176.6 | 29.6 | -35.5 | 0 | 0 | 0 | 112.1 | ||
| 537 | P | 89.7 | Confident | 84.1 | Confident | 78 Ų | 78 | 77.4 Ų | 77.4 | 51% | 0.506 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 153.8 | 162 | 31.7 | -34.8 | 0 | 0 | 0 | 110.5 | R543 | P537-R543 HydrophobicContact CB-CG 4.38Š|
| 538 | P | 92.3 | Very high | 83.7 | Confident | 17 Ų | 17 | 76.5 Ų | 76.5 | 11% | 0.11 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -75.7 | 150.2 | 175.8 | 33.4 | -33.5 | 0 | 0 | 0 | 110.5 | G541 Y558 | P538-G541 PolarHBondContact O-N 3.27Å; P538-Y558 HydrophobicContact CG-CD1 4.07Å |
| 539 | E | 90.9 | Very high | 83.6 | Confident | 161 Ų | 161 | 76.3 Ų | 76.3 | 75% | 0.752 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 139.7 | 166.9 | -63.3 | -171.5 | 170.5 | 0 | 0 | 110 | G541 C587 | E539-G541 VanDerWaalsContact C-N 3.26Å; E539-G541 PolarHBondContact O-N 2.69Å; E539-C587 WeakPolarHBondContact O-CB 3.42Å |
| 540 | W | 90.3 | Very high | 84.4 | Confident | 138 Ų | 138 | 71.9 Ų | 71.9 | 52% | 0.523 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 38 | -176.9 | -44 | 97.2 | 0 | 0 | 0 | 113.4 | E561 Y564 | W540-E561 WeakPolarHBondContact O-CB 3.38Å; W540-E561 PolarHBondContact O-N 2.84Å; W540-Y564 HydrophobicContact CB-CD1 3.72Å; W540-Y564 HydrophobicContact CB-CD2 4.17Å; W540-Y564 HydrophobicContact CB-CE1 3.53Å; W540-Y564 HydrophobicContact CB-CE2 4.03Å; W540-Y564 HydrophobicContact CB-CG 4.06Å; W540-Y564 AromaticContact CD1-CE1 3.62Å; W540-Y564 HydrophobicContact CD2-CE1 4.25Å; W540-Y564 AromaticContact CD2-CZ 3.85Å; W540-Y564 HydrophobicContact CG-CD1 4.17Å; W540-Y564 AromaticContact CG-CE1 3.47Å; W540-Y564 HydrophobicContact CG-CE1 3.47Å; W540-Y564 VanDerWaalsContact CG-CE1 3.47Å; W540-Y564 HydrophobicContact CG-CE2 4.25Å; W540-Y564 AromaticContact CG-CZ 3.53Å |
| 541 | G | 91.6 | Very high | 85.1 | Confident | 18 Ų | 18 | 73 Ų | 73 | 19% | 0.186 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168 | -171.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | P538 E539 Q559 | P538-G541 PolarHBondContact O-N 3.27Å; E539-G541 VanDerWaalsContact C-N 3.26Å; E539-G541 PolarHBondContact O-N 2.69Å; G541-Q559 CarbonylContact C-O 3.55Å; G541-Q559 WeakPolarHBondContact CA-O 3.25Å |
| 542 | W | 92.6 | Very high | 85.5 | Confident | 106 Ų | 106 | 76.2 Ų | 76.2 | 40% | 0.402 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 162.4 | 178.5 | 64.7 | 95.5 | 0 | 0 | 0 | 111.8 | Q559 E561 | W542-Q559 HydrophobicContact CD2-CB 4.04Å; W542-Q559 VanDerWaalsContact CE2-CB 3.48Å; W542-Q559 HydrophobicContact CH2-CB 4.02Å; W542-Q559 HydrophobicContact CZ2-CB 3.49Å; W542-Q559 VanDerWaalsContact CZ2-CB 3.49Å; W542-Q559 HydrophobicContact CZ2-CG 4.23Å; W542-Q559 PolarHBondContact N-O 2.81Å; W542-Q559 PolarHBondContact O-N 3.22Å; W542-E561 HydrophobicContact CZ3-CG 4.28Å |
| 543 | R | 93.2 | Very high | 85.6 | Confident | 65 Ų | 65 | 78.5 Ų | 78.5 | 25% | 0.245 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 149.5 | 170.6 | 67.9 | 174.9 | 178.1 | 129.5 | 5.1 | 110.7 | E534 L535 P537 T557 Y558 | E534-R543 IonicContact OE1-CZ 3.64Å; E534-R543 IonicContact OE1-NH1 3.4Å; E534-R543 IonicContact OE1-NH2 3.53Å; E534-R543 PolarHBondContact OE1-NH2 2.82Å; L535-R543 PolarHBondContact O-NE 2.92Å; L535-R543 VanDerWaalsContact O-NE 3.07Å; L535-R543 PolarHBondContact O-NH1 3.31Å; L535-R543 VanDerWaalsContact O-NH1 3.15Å; L535-R543 PolarHBondContact O-NH2 2.93Å; P537-R543 HydrophobicContact CB-CG 4.38Å; R543-T557 CarbonylContact C-O 3.58Å; R543-T557 WeakPolarHBondContact CA-O 3.29Å; R543-Y558 HydrophobicContact CB-CD1 3.9Å; R543-Y558 HydrophobicContact CB-CE1 3.76Å; R543-Y558 HydrophobicContact CB-CG 4.39Å |
| 544 | T | 92.6 | Very high | 85.6 | Confident | 65 Ų | 65 | 74.6 Ų | 74.6 | 40% | 0.399 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 134.6 | 172.5 | 49.7 | 0 | 0 | 0 | 0 | 109.5 | L556 T557 | T544-L556 WeakPolarHBondContact O-CA 3.2Å; T544-T557 PolarHBondContact N-O 2.9Å; T544-T557 PolarHBondContact O-N 3.24Å; T544-T557 PolarHBondContact OG1-O 2.04Å |
| 545 | A | 89.4 | Confident | 86 | Confident | 50 Ų | 50 | 69.8 Ų | 69.8 | 41% | 0.413 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 150.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | H547 T554 V555 L556 | A545-H547 VanDerWaalsContact C-N 3.31Å; A545-H547 WeakPolarHBondContact CB-O 3.31Å; A545-T554 HydrophobicContact CB-CG2 4.46Å; A545-V555 CarbonylContact C-O 3.54Å; A545-V555 WeakPolarHBondContact CA-O 3.22Å; A545-L556 HydrophobicContact CB-CD2 3.65Å |
| 546 | S | 86.4 | Confident | 86.2 | Confident | 64 Ų | 64 | 68.6 Ų | 68.6 | 45% | 0.448 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -75.6 | -18.4 | 173.8 | 64.4 | 0 | 0 | 0 | 0 | 114.2 | V555 | S546-V555 PolarHBondContact N-O 2.77Å; S546-V555 PolarHBondContact OG-N 2.79Å |
| 547 | H | 74.8 | Confident | 86.6 | Confident | 109 Ų | 109 | 66.6 Ų | 66.6 | 51% | 0.505 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -138.8 | 160.5 | 178.1 | -64.8 | 78.6 | 0 | 0 | 0 | 109.2 | A545 T554 | A545-H547 VanDerWaalsContact C-N 3.31Å; A545-H547 WeakPolarHBondContact CB-O 3.31Å; H547-T554 HydrophobicContact CB-CG2 4.33Å |
| 548 | G | 72.3 | Confident | 86.8 | Confident | 82 Ų | 82 | 63.1 Ų | 63.1 | 85% | 0.845 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -67.3 | -46.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 549 | D | 70.9 | Confident | 86.9 | Confident | 101 Ų | 101 | 66.4 Ų | 66.4 | 54% | 0.54 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -90.1 | 144.9 | 174.7 | -61.2 | -68.3 | 0 | 0 | 0 | 111.9 | I551 T554 | D549-I551 HydrophobicContact CB-CG2 4.03Å; D549-I551 PolarHBondContact O-N 3.16Å; D549-T554 PolarHBondContact O-OG1 3.15Å |
| 550 | L | 82.6 | Confident | 87 | Confident | 20 Ų | 20 | 60 Ų | 60 | 11% | 0.105 | 34% | 0.336 | C | S | . | . | trans | -81 | 42.6 | -176 | -57.5 | 178 | 0 | 0 | 0 | 113.3 | T531 C532 E534 T554 L556 C574 W580 | T531-L550 CarbonylContact C-O 3.56Å; T531-L550 VanDerWaalsContact CA-O 3.31Å; T531-L550 WeakPolarHBondContact CA-O 3.46Å; C532-L550 PolarHBondContact N-O 2.89Å; E534-L550 HydrophobicContact CB-CD1 3.91Å; E534-L550 HydrophobicContact CG-CD1 4.09Å; L550-T554 HydrophobicContact CD2-CG2 4.45Å; L550-L556 HydrophobicContact CD2-CD2 4.01Å; L550-C574 PolarHBondContact O-SG 2.94Å; L550-W580 HydrophobicContact CB-CH2 4.5Å; L550-W580 HydrophobicContact CB-CZ2 4.22Å; L550-W580 HydrophobicContact CD1-CZ2 4.32Å; L550-W580 HydrophobicContact CD2-CH2 4.25Å; L550-W580 HydrophobicContact CD2-CZ2 4.31Å | ||
| 551 | I | 80.8 | Confident | 87.1 | Confident | 61 Ų | 61 | 57.4 Ų | 57.4 | 31% | 0.313 | 33% | 0.33 | S | S | . | . | B | Isolated β-bridge | trans | -69.5 | 163 | -176 | 59.9 | 172.2 | 0 | 0 | 0 | 113.3 | D530 T531 D549 G553 T554 C574 | D530-I551 WeakPolarHBondContact O-CA 3.41Å; T531-I551 HydrophobicContact CG2-CG2 3.95Å; D549-I551 HydrophobicContact CB-CG2 4.03Å; D549-I551 PolarHBondContact O-N 3.16Å; I551-G553 PolarHBondContact O-N 3.29Å; I551-T554 WeakPolarHBondContact CG1-OG1 3.44Å; I551-T554 PolarHBondContact N-OG1 2.75Å; I551-T554 WeakPolarHBondContact O-CB 3.08Å; I551-T554 PolarHBondContact O-N 2.73Å; I551-T554 PolarHBondContact O-OG1 2.84Å; I551-C574 VanDerWaalsContact C-SG 3.58Å; I551-C574 WeakPolarHBondContact O-CB 3.42Å; I551-C574 PolarHBondContact O-SG 3.47Å |
| 552 | R | 80.8 | Confident | 86.9 | Confident | 122 Ų | 122 | 61.9 Ų | 61.9 | 46% | 0.46 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -41.4 | 130 | 169.9 | -72.6 | -179.9 | 167.4 | 129.6 | -2.7 | 112.7 | D530 T554 W576 L578 | D530-R552 PolarHBondContact O-N 2.81Å; D530-R552 VanDerWaalsContact O-N 3.14Å; D530-R552 IonicContact OD1-NH1 2.96Å; D530-R552 IonicContact OD2-NH1 3.14Å; R552-T554 VanDerWaalsContact C-N 3.27Å; R552-T554 PolarHBondContact O-N 3.06Å; R552-W576 VanDerWaalsContact CZ-O 3.31Å; R552-W576 PolarHBondContact NE-O 3.31Å; R552-W576 PolarHBondContact NH2-O 2.78Å; R552-L578 HydrophobicContact CG-CD2 3.58Å |
| 553 | G | 80.9 | Confident | 86.5 | Confident | 53 Ų | 53 | 57.2 Ų | 57.2 | 55% | 0.546 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.9 | -6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | I551 C574 | I551-G553 PolarHBondContact O-N 3.29Å; G553-C574 PolarHBondContact N-O 2.76Å |
| 554 | T | 85.4 | Confident | 86.3 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.006 | 34% | 0.339 | C | S | . | . | trans | -62.2 | 141.2 | 172 | -58.7 | 0 | 0 | 0 | 0 | 110.4 | A545 H547 D549 L550 I551 R552 T573 C574 | A545-T554 HydrophobicContact CB-CG2 4.46Å; H547-T554 HydrophobicContact CB-CG2 4.33Å; D549-T554 PolarHBondContact O-OG1 3.15Å; L550-T554 HydrophobicContact CD2-CG2 4.45Å; I551-T554 WeakPolarHBondContact CG1-OG1 3.44Å; I551-T554 PolarHBondContact N-OG1 2.75Å; I551-T554 WeakPolarHBondContact O-CB 3.08Å; I551-T554 PolarHBondContact O-N 2.73Å; I551-T554 PolarHBondContact O-OG1 2.84Å; R552-T554 VanDerWaalsContact C-N 3.27Å; R552-T554 PolarHBondContact O-N 3.06Å; T554-T573 WeakPolarHBondContact O-CA 3.31Å; T554-C574 PolarHBondContact O-N 3.4Å | ||
| 555 | V | 92.7 | Very high | 86.2 | Confident | 44 Ų | 44 | 57.8 Ų | 57.8 | 27% | 0.267 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 124.4 | -177.7 | -172.1 | 0 | 0 | 0 | 0 | 108 | A545 S546 I571 L572 T573 | A545-V555 CarbonylContact C-O 3.54Å; A545-V555 WeakPolarHBondContact CA-O 3.22Å; S546-V555 PolarHBondContact N-O 2.77Å; S546-V555 PolarHBondContact OG-N 2.79Å; V555-I571 HydrophobicContact CG1-CG2 3.51Å; V555-L572 WeakPolarHBondContact CA-O 3.39Å; V555-T573 HydrophobicContact CG1-CG2 4.31Å; V555-T573 HydrophobicContact CG2-CG2 4.19Å |
| 556 | L | 93.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 134 | 166.8 | -66 | 178.3 | 0 | 0 | 0 | 108.9 | L535 T544 A545 L550 Y558 I571 L572 W580 | L535-L556 HydrophobicContact CD1-CD1 4.26Å; T544-L556 WeakPolarHBondContact O-CA 3.2Å; A545-L556 HydrophobicContact CB-CD2 3.65Å; L550-L556 HydrophobicContact CD2-CD2 4.01Å; L556-Y558 HydrophobicContact CB-CD2 4.42Å; L556-Y558 HydrophobicContact CB-CE2 3.8Å; L556-Y558 HydrophobicContact CD1-CE2 4.28Å; L556-I571 WeakPolarHBondContact O-CA 3.43Å; L556-L572 HydrophobicContact CB-CB 4.3Å; L556-L572 PolarHBondContact N-O 2.98Å; L556-L572 PolarHBondContact O-N 2.83Å; L556-W580 HydrophobicContact CB-CZ3 4.43Å; L556-W580 HydrophobicContact CD1-CD2 4.46Å; L556-W580 HydrophobicContact CD1-CE3 4.26Å; L556-W580 HydrophobicContact CD1-CH2 3.5Å; L556-W580 VanDerWaalsContact CD1-CH2 3.5Å; L556-W580 HydrophobicContact CD1-CZ2 3.69Å; L556-W580 HydrophobicContact CD1-CZ3 3.79Å; L556-W580 HydrophobicContact CD2-CH2 4.45Å; L556-W580 HydrophobicContact CG-CH2 3.58Å; L556-W580 HydrophobicContact CG-CZ2 4.28Å; L556-W580 HydrophobicContact CG-CZ3 3.74Å |
| 557 | T | 94.3 | Very high | 86.7 | Confident | 44 Ų | 44 | 58.7 Ų | 58.7 | 27% | 0.27 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 129 | 172.4 | -55.1 | 0 | 0 | 0 | 0 | 109.4 | R543 T544 D570 I571 | R543-T557 CarbonylContact C-O 3.58Å; R543-T557 WeakPolarHBondContact CA-O 3.29Å; T544-T557 PolarHBondContact N-O 2.9Å; T544-T557 PolarHBondContact O-N 3.24Å; T544-T557 PolarHBondContact OG1-O 2.04Å; T557-D570 CarbonylContact C-O 3.55Å; T557-D570 VanDerWaalsContact CA-O 3.31Å; T557-D570 WeakPolarHBondContact CA-O 3.44Å; T557-I571 HydrophobicContact CG2-CG1 4.5Å |
| 558 | Y | 94.8 | Very high | 87.5 | Confident | 5 Ų | 5 | 56.5 Ų | 56.5 | 2% | 0.02 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 138.1 | -176.7 | -72.6 | -97 | 0 | 0 | 0 | 110.9 | L535 P538 R543 L556 D570 L572 P585 | L535-Y558 WeakPolarHBondContact CB-OH 3.45Å; P538-Y558 HydrophobicContact CG-CD1 4.07Å; R543-Y558 HydrophobicContact CB-CD1 3.9Å; R543-Y558 HydrophobicContact CB-CE1 3.76Å; R543-Y558 HydrophobicContact CB-CG 4.39Å; L556-Y558 HydrophobicContact CB-CD2 4.42Å; L556-Y558 HydrophobicContact CB-CE2 3.8Å; L556-Y558 HydrophobicContact CD1-CE2 4.28Å; Y558-D570 PolarHBondContact N-O 3.48Å; Y558-L572 HydrophobicContact CD2-CD1 4.18Å; Y558-L572 HydrophobicContact CE2-CB 4.38Å; Y558-L572 HydrophobicContact CE2-CD1 4.06Å; Y558-L572 HydrophobicContact CE2-CD2 4.08Å; Y558-L572 HydrophobicContact CE2-CG 4.41Å; Y558-P585 HydrophobicContact CD1-CG 3.71Å; Y558-P585 HydrophobicContact CD2-CG 3.95Å; Y558-P585 HydrophobicContact CE1-CG 4.37Å; Y558-P585 HydrophobicContact CG-CG 3.47Å; Y558-P585 VanDerWaalsContact CG-CG 3.47Å |
| 559 | Q | 94 | Very high | 88.4 | Confident | 86 Ų | 86 | 54.9 Ų | 54.9 | 40% | 0.402 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 144.4 | -179 | -73.6 | 168.6 | 80.4 | 0 | 0 | 109.9 | G541 W542 | G541-Q559 CarbonylContact C-O 3.55Å; G541-Q559 WeakPolarHBondContact CA-O 3.25Å; W542-Q559 HydrophobicContact CD2-CB 4.04Å; W542-Q559 VanDerWaalsContact CE2-CB 3.48Å; W542-Q559 HydrophobicContact CH2-CB 4.02Å; W542-Q559 HydrophobicContact CZ2-CB 3.49Å; W542-Q559 VanDerWaalsContact CZ2-CB 3.49Å; W542-Q559 HydrophobicContact CZ2-CG 4.23Å; W542-Q559 PolarHBondContact N-O 2.81Å; W542-Q559 PolarHBondContact O-N 3.22Å |
| 560 | C | 93.6 | Very high | 89.5 | Confident | 25 Ų | 25 | 54.5 Ų | 54.5 | 17% | 0.169 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 157.9 | 179.4 | -60.8 | 0 | 0 | 0 | 0 | 112.3 | L566 C587 | C560-L566 WeakPolarHBondContact SG-CD1 3.42Å; C560-C587 VanDerWaalsContact CA-SG 3.5Å; C560-C587 HydrophobicContact CB-CB 3.79Å; C560-C587 WeakPolarHBondContact CB-SG 3.37Å; C560-C587 VanDerWaalsContact SG-CA 3.56Å; C560-C587 WeakPolarHBondContact SG-CB 3.42Å; C560-C587 CovalentContact SG-SG 2.04Å; C560-C587 PolarHBondContact SG-SG 3.36Å |
| 561 | E | 91.3 | Very high | 90 | Very high | 85 Ų | 85 | 57.3 Ų | 57.3 | 40% | 0.397 | 33% | 0.326 | S | S | . | . | trans | -69 | 153.4 | 175.4 | -71.3 | -172.1 | 154.7 | 0 | 0 | 113 | W540 W542 G563 Y564 | W540-E561 WeakPolarHBondContact O-CB 3.38Å; W540-E561 PolarHBondContact O-N 2.84Å; W542-E561 HydrophobicContact CZ3-CG 4.28Å; E561-G563 PolarHBondContact O-N 3.47Å; E561-Y564 HydrophobicContact CB-CD2 4.48Å; E561-Y564 PolarHBondContact O-N 3.47Å | ||
| 562 | P | 87.8 | Confident | 90.6 | Very high | 112 Ų | 112 | 54.4 Ų | 54.4 | 73% | 0.727 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 113.8 | -177.2 | -25.4 | 35.4 | 0 | 0 | 0 | 113.2 | G641 | P562-G641 WeakPolarHBondContact O-CA 3.36Š|
| 563 | G | 84 | Confident | 91.2 | Very high | 7 Ų | 7 | 51.2 Ų | 51.2 | 7% | 0.072 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 112.8 | -4.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | E561 I590 | E561-G563 PolarHBondContact O-N 3.47Å; G563-I590 WeakPolarHBondContact O-CB 3.04Å; G563-I590 PolarHBondContact O-N 2.03Å |
| 564 | Y | 89.6 | Confident | 91.6 | Very high | 54 Ų | 54 | 48.9 Ų | 48.9 | 21% | 0.212 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 148.3 | 172.2 | -66.9 | -111.8 | 0 | 0 | 0 | 110.5 | W540 E561 C587 Q588 K589 | W540-Y564 HydrophobicContact CB-CD1 3.72Å; W540-Y564 HydrophobicContact CB-CD2 4.17Å; W540-Y564 HydrophobicContact CB-CE1 3.53Å; W540-Y564 HydrophobicContact CB-CE2 4.03Å; W540-Y564 HydrophobicContact CB-CG 4.06Å; W540-Y564 AromaticContact CD1-CE1 3.62Å; W540-Y564 HydrophobicContact CD2-CE1 4.25Å; W540-Y564 AromaticContact CD2-CZ 3.85Å; W540-Y564 HydrophobicContact CG-CD1 4.17Å; W540-Y564 AromaticContact CG-CE1 3.47Å; W540-Y564 HydrophobicContact CG-CE1 3.47Å; W540-Y564 VanDerWaalsContact CG-CE1 3.47Å; W540-Y564 HydrophobicContact CG-CE2 4.25Å; W540-Y564 AromaticContact CG-CZ 3.53Å; E561-Y564 HydrophobicContact CB-CD2 4.48Å; E561-Y564 PolarHBondContact O-N 3.47Å; Y564-C587 HydrophobicContact CD1-CB 4.21Å; Y564-Q588 CarbonylContact C-O 3.5Å; Y564-Q588 WeakPolarHBondContact CA-O 3.05Å; Y564-K589 HydrophobicContact CD1-CB 4.04Å; Y564-K589 HydrophobicContact CE1-CB 3.81Å |
| 565 | E | 90.4 | Very high | 91.6 | Very high | 89 Ų | 89 | 52.4 Ų | 52.4 | 42% | 0.416 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 148.1 | 172.2 | 60.9 | -174.9 | -174.7 | 0 | 0 | 110.9 | C587 Q588 I590 | E565-C587 CarbonylContact O-C 3.5Å; E565-C587 WeakPolarHBondContact O-CA 3.33Å; E565-Q588 PolarHBondContact N-O 3.35Å; E565-Q588 PolarHBondContact O-N 2.61Å; E565-I590 HydrophobicContact CB-CD1 4.02Å; E565-I590 HydrophobicContact CB-CG1 3.81Å; E565-I590 HydrophobicContact CG-CG1 3.87Å |
| 566 | L | 92.8 | Very high | 90.7 | Very high | 49 Ų | 49 | 60.1 Ų | 60.1 | 26% | 0.257 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 121.1 | -178.4 | -168.8 | 85 | 0 | 0 | 0 | 110.6 | C560 D570 P585 | C560-L566 WeakPolarHBondContact SG-CD1 3.42Å; L566-D570 HydrophobicContact CD2-CB 3.66Å; L566-P585 HydrophobicContact CD1-CB 3.72Å; L566-P585 HydrophobicContact CD1-CG 3.76Å; L566-P585 HydrophobicContact CD2-CB 4.13Å; L566-P585 HydrophobicContact CD2-CG 4.28Å; L566-P585 HydrophobicContact CG-CB 3.85Å; L566-P585 HydrophobicContact CG-CG 4.28Å |
| 567 | L | 93.7 | Very high | 90.1 | Very high | 84 Ų | 84 | 64.1 Ų | 64.1 | 44% | 0.44 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 105.9 | 171.6 | -58.7 | -176.5 | 0 | 0 | 0 | 110.1 | P585 A586 Q588 | L567-P585 VanDerWaalsContact O-CA 3.27Å; L567-P585 WeakPolarHBondContact O-CA 3.36Å; L567-P585 VanDerWaalsContact O-CB 3.31Å; L567-P585 WeakPolarHBondContact O-CB 3.31Å; L567-A586 PolarHBondContact N-O 3.35Å; L567-A586 PolarHBondContact O-N 3.5Å; L567-Q588 HydrophobicContact CD1-CB 3.74Å; L567-Q588 HydrophobicContact CG-CB 4.12Å |
| 568 | G | 90.8 | Very high | 89.5 | Confident | 62 Ų | 62 | 63.8 Ų | 63.8 | 64% | 0.639 | 34% | 0.34 | S | S | * | . | S | Bend | trans | 132.3 | -156.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 569 | S | 92.9 | Very high | 89.2 | Confident | 49 Ų | 49 | 65.4 Ų | 65.4 | 34% | 0.343 | 35% | 0.352 | S | S | . | . | trans | -83.9 | 127.7 | 173.2 | -62.7 | 0 | 0 | 0 | 0 | 110.5 | I571 L572 P585 | S569-I571 VanDerWaalsContact C-N 3.28Å; S569-L572 WeakPolarHBondContact O-CD1 3.07Å; S569-P585 WeakPolarHBondContact O-CG 3.27Å | ||
| 570 | D | 92.4 | Very high | 89 | Confident | 92 Ų | 92 | 62.7 Ų | 62.7 | 49% | 0.492 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -68.1 | -28.9 | 170.4 | 63.4 | -31.1 | 0 | 0 | 0 | 112.4 | T557 Y558 L566 | T557-D570 CarbonylContact C-O 3.55Å; T557-D570 VanDerWaalsContact CA-O 3.31Å; T557-D570 WeakPolarHBondContact CA-O 3.44Å; Y558-D570 PolarHBondContact N-O 3.48Å; L566-D570 HydrophobicContact CD2-CB 3.66Å |
| 571 | I | 93.9 | Very high | 89 | Confident | 79 Ų | 79 | 64 Ų | 64 | 41% | 0.405 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 122.9 | -180 | -61.7 | 173.3 | 0 | 0 | 0 | 110.6 | V555 L556 T557 S569 T573 | V555-I571 HydrophobicContact CG1-CG2 3.51Å; L556-I571 WeakPolarHBondContact O-CA 3.43Å; T557-I571 HydrophobicContact CG2-CG1 4.5Å; S569-I571 VanDerWaalsContact C-N 3.28Å; I571-T573 HydrophobicContact CG2-CG2 4.34Å |
| 572 | L | 93.4 | Very high | 89 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 137.6 | 171.9 | -86.8 | 67.3 | 0 | 0 | 0 | 109.5 | L535 V555 L556 Y558 S569 W580 A582 | L535-L572 HydrophobicContact CD1-CD2 3.52Å; V555-L572 WeakPolarHBondContact CA-O 3.39Å; L556-L572 HydrophobicContact CB-CB 4.3Å; L556-L572 PolarHBondContact N-O 2.98Å; L556-L572 PolarHBondContact O-N 2.83Å; Y558-L572 HydrophobicContact CD2-CD1 4.18Å; Y558-L572 HydrophobicContact CE2-CB 4.38Å; Y558-L572 HydrophobicContact CE2-CD1 4.06Å; Y558-L572 HydrophobicContact CE2-CD2 4.08Å; Y558-L572 HydrophobicContact CE2-CG 4.41Å; S569-L572 WeakPolarHBondContact O-CD1 3.07Å; L572-W580 HydrophobicContact CB-CE3 4.01Å; L572-W580 HydrophobicContact CD2-CB 4.36Å; L572-A582 HydrophobicContact CD1-CB 4.31Å; L572-A582 WeakPolarHBondContact CD2-O 3.44Å; L572-A582 HydrophobicContact CG-CB 4.2Å |
| 573 | T | 92.1 | Very high | 89.1 | Confident | 55 Ų | 55 | 59.8 Ų | 59.8 | 34% | 0.337 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 140.5 | 178.4 | 60.8 | 0 | 0 | 0 | 0 | 112.1 | T554 V555 I571 Q575 W580 S581 | T554-T573 WeakPolarHBondContact O-CA 3.31Å; V555-T573 HydrophobicContact CG1-CG2 4.31Å; V555-T573 HydrophobicContact CG2-CG2 4.19Å; I571-T573 HydrophobicContact CG2-CG2 4.34Å; T573-Q575 PolarHBondContact O-N 2.76Å; T573-W580 VanDerWaalsContact C-CE3 3.42Å; T573-S581 PolarHBondContact N-OG 3.14Å; T573-S581 PolarHBondContact O-N 2.8Å; T573-S581 WeakPolarHBondContact OG1-CB 3.34Å |
| 574 | C | 89.4 | Confident | 89.4 | Confident | 5 Ų | 5 | 62.5 Ų | 62.5 | 3% | 0.034 | 35% | 0.353 | C | S | . | . | B | Isolated β-bridge | trans | -79.4 | 114.5 | 176.8 | 178 | 0 | 0 | 0 | 0 | 109.9 | C532 L550 I551 G553 T554 W580 | C532-C574 HydrophobicContact CB-CB 3.89Å; C532-C574 WeakPolarHBondContact CB-SG 3.45Å; C532-C574 WeakPolarHBondContact SG-CA 3.09Å; C532-C574 WeakPolarHBondContact SG-CB 3.24Å; C532-C574 CovalentContact SG-SG 2.03Å; C532-C574 PolarHBondContact SG-SG 3.36Å; L550-C574 PolarHBondContact O-SG 2.94Å; I551-C574 VanDerWaalsContact C-SG 3.58Å; I551-C574 WeakPolarHBondContact O-CB 3.42Å; I551-C574 PolarHBondContact O-SG 3.47Å; G553-C574 PolarHBondContact N-O 2.76Å; T554-C574 PolarHBondContact O-N 3.4Å; C574-W580 HydrophobicContact CB-CE3 4.2Å; C574-W580 HydrophobicContact CB-CH2 3.92Å; C574-W580 HydrophobicContact CB-CZ3 3.77Å |
| 575 | Q | 85.8 | Confident | 89.6 | Confident | 75 Ų | 75 | 60.4 Ų | 60.4 | 35% | 0.35 | 35% | 0.346 | S | S | . | . | trans | -85.4 | 171.9 | -170.4 | -60.1 | -166.9 | 104.5 | 0 | 0 | 112.9 | T573 D577 L578 S579 | T573-Q575 PolarHBondContact O-N 2.76Å; Q575-D577 VanDerWaalsContact CB-OD1 3.29Å; Q575-D577 WeakPolarHBondContact CB-OD1 3.21Å; Q575-D577 PolarHBondContact O-N 2.8Å; Q575-L578 PolarHBondContact O-N 3.1Å; Q575-L578 VanDerWaalsContact O-N 3.09Å; Q575-S579 WeakPolarHBondContact CB-O 3.24Å; Q575-S579 PolarHBondContact N-O 2.92Å; Q575-S579 PolarHBondContact NE2-OG 2.93Å | ||
| 576 | W | 74.7 | Confident | 89.8 | Confident | 205 Ų | 205 | 58.9 Ų | 58.9 | 78% | 0.777 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -27.4 | -177.1 | 66.7 | -87.4 | 0 | 0 | 0 | 113.5 | R552 L578 | R552-W576 VanDerWaalsContact CZ-O 3.31Å; R552-W576 PolarHBondContact NE-O 3.31Å; R552-W576 PolarHBondContact NH2-O 2.78Å; W576-L578 VanDerWaalsContact C-N 3.29Å |
| 577 | D | 81.5 | Confident | 89.9 | Confident | 84 Ų | 84 | 57.4 Ų | 57.4 | 45% | 0.449 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 3.8 | 176.7 | 67.7 | -12.4 | 0 | 0 | 0 | 113.7 | Q575 S579 | Q575-D577 VanDerWaalsContact CB-OD1 3.29Å; Q575-D577 WeakPolarHBondContact CB-OD1 3.21Å; Q575-D577 PolarHBondContact O-N 2.8Å; D577-S579 VanDerWaalsContact C-N 3.28Å; D577-S579 VanDerWaalsContact CG-OG 3.22Å; D577-S579 PolarHBondContact O-N 2.86Å; D577-S579 VanDerWaalsContact OD1-CB 3.32Å; D577-S579 WeakPolarHBondContact OD1-CB 3.34Å; D577-S579 PolarHBondContact OD1-N 2.95Å; D577-S579 PolarHBondContact OD1-OG 3.18Å; D577-S579 PolarHBondContact OD2-OG 2.87Å; D577-S579 VanDerWaalsContact OD2-OG 3.1Å |
| 578 | L | 80.2 | Confident | 89.7 | Confident | 38 Ų | 38 | 58.5 Ų | 58.5 | 20% | 0.199 | 35% | 0.345 | C | S | . | . | S | Bend | trans | 67.2 | 20.8 | -174.7 | -46.8 | -178.8 | 0 | 0 | 0 | 114.6 | N529 D530 C532 P533 R552 Q575 W576 | N529-L578 WeakPolarHBondContact O-CD1 3.2Å; D530-L578 WeakPolarHBondContact O-CD2 3.25Å; C532-L578 PolarHBondContact SG-O 3.36Å; C532-L578 VanDerWaalsContact SG-O 3.36Å; P533-L578 VanDerWaalsContact CD-O 3.25Å; P533-L578 WeakPolarHBondContact CD-O 3.38Å; R552-L578 HydrophobicContact CG-CD2 3.58Å; Q575-L578 PolarHBondContact O-N 3.1Å; Q575-L578 VanDerWaalsContact O-N 3.09Å; W576-L578 VanDerWaalsContact C-N 3.29Å |
| 579 | S | 88.4 | Confident | 89.6 | Confident | 39 Ų | 39 | 59.1 Ų | 59.1 | 27% | 0.273 | 33% | 0.33 | S | S | . | . | trans | -92.2 | 163.7 | 166.4 | 74 | 0 | 0 | 0 | 0 | 112.3 | C532 Q575 D577 | C532-S579 PolarHBondContact SG-O 2.87Å; C532-S579 VanDerWaalsContact SG-O 3.35Å; Q575-S579 WeakPolarHBondContact CB-O 3.24Å; Q575-S579 PolarHBondContact N-O 2.92Å; Q575-S579 PolarHBondContact NE2-OG 2.93Å; D577-S579 VanDerWaalsContact C-N 3.28Å; D577-S579 VanDerWaalsContact CG-OG 3.22Å; D577-S579 PolarHBondContact O-N 2.86Å; D577-S579 VanDerWaalsContact OD1-CB 3.32Å; D577-S579 WeakPolarHBondContact OD1-CB 3.34Å; D577-S579 PolarHBondContact OD1-N 2.95Å; D577-S579 PolarHBondContact OD1-OG 3.18Å; D577-S579 PolarHBondContact OD2-OG 2.87Å; D577-S579 VanDerWaalsContact OD2-OG 3.1Å | ||
| 580 | W | 91.4 | Very high | 89.4 | Confident | 29 Ų | 29 | 58.2 Ų | 58.2 | 11% | 0.11 | 32% | 0.321 | C | S | . | . | B | Isolated β-bridge | trans | -88.1 | 145.3 | 166.5 | -68.6 | 102.7 | 0 | 0 | 0 | 111 | C532 P533 L535 L550 L556 L572 T573 C574 A582 | C532-W580 HydrophobicContact CB-CD2 4.25Å; C532-W580 HydrophobicContact CB-CH2 4.36Å; C532-W580 HydrophobicContact CB-CZ2 3.62Å; P533-W580 PolarHBondContact O-NE1 2.85Å; L535-W580 HydrophobicContact CD1-CB 4.44Å; L535-W580 HydrophobicContact CD1-CD2 4.04Å; L535-W580 HydrophobicContact CD1-CG 3.77Å; L535-W580 HydrophobicContact CG-CG 4.44Å; L550-W580 HydrophobicContact CB-CH2 4.5Å; L550-W580 HydrophobicContact CB-CZ2 4.22Å; L550-W580 HydrophobicContact CD1-CZ2 4.32Å; L550-W580 HydrophobicContact CD2-CH2 4.25Å; L550-W580 HydrophobicContact CD2-CZ2 4.31Å; L556-W580 HydrophobicContact CB-CZ3 4.43Å; L556-W580 HydrophobicContact CD1-CD2 4.46Å; L556-W580 HydrophobicContact CD1-CE3 4.26Å; L556-W580 HydrophobicContact CD1-CH2 3.5Å; L556-W580 VanDerWaalsContact CD1-CH2 3.5Å; L556-W580 HydrophobicContact CD1-CZ2 3.69Å; L556-W580 HydrophobicContact CD1-CZ3 3.79Å; L556-W580 HydrophobicContact CD2-CH2 4.45Å; L556-W580 HydrophobicContact CG-CH2 3.58Å; L556-W580 HydrophobicContact CG-CZ2 4.28Å; L556-W580 HydrophobicContact CG-CZ3 3.74Å; L572-W580 HydrophobicContact CB-CE3 4.01Å; L572-W580 HydrophobicContact CD2-CB 4.36Å; T573-W580 VanDerWaalsContact C-CE3 3.42Å; C574-W580 HydrophobicContact CB-CE3 4.2Å; C574-W580 HydrophobicContact CB-CH2 3.92Å; C574-W580 HydrophobicContact CB-CZ3 3.77Å; W580-A582 PolarHBondContact O-N 2.97Å; W580-A582 VanDerWaalsContact O-N 3.13Å |
| 581 | S | 92.3 | Very high | 89.1 | Confident | 53 Ų | 53 | 58.5 Ų | 58.5 | 37% | 0.371 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -60.1 | -20.3 | 179.1 | 63.2 | 0 | 0 | 0 | 0 | 115.2 | T573 | T573-S581 PolarHBondContact N-OG 3.14Å; T573-S581 PolarHBondContact O-N 2.8Å; T573-S581 WeakPolarHBondContact OG1-CB 3.34Å |
| 582 | A | 90.8 | Very high | 88.9 | Confident | 31 Ų | 31 | 57.8 Ų | 57.8 | 26% | 0.256 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -153.2 | 168.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | L572 W580 | L572-A582 HydrophobicContact CD1-CB 4.31Å; L572-A582 WeakPolarHBondContact CD2-O 3.44Å; L572-A582 HydrophobicContact CG-CB 4.2Å; W580-A582 PolarHBondContact O-N 2.97Å; W580-A582 VanDerWaalsContact O-N 3.13Å |
| 583 | A | 90.6 | Very high | 88.7 | Confident | 77 Ų | 77 | 58 Ų | 58 | 64% | 0.636 | 32% | 0.322 | S | S | * | . | P | Polyproline II helix | trans | -70.5 | 152.5 | 167 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 584 | P | 91.1 | Very high | 88.5 | Confident | 64 Ų | 64 | 59.5 Ų | 59.5 | 42% | 0.416 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 138.2 | 176.6 | 24.8 | -34 | 0 | 0 | 0 | 111.3 | L535 | L535-P584 HydrophobicContact CD1-CB 4.36Å; L535-P584 HydrophobicContact CD2-CG 4.36Å |
| 585 | P | 93.9 | Very high | 88.5 | Confident | 9 Ų | 9 | 63.3 Ų | 63.3 | 6% | 0.058 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -76.7 | 164.4 | 178.8 | 34.4 | -38.5 | 0 | 0 | 0 | 112.4 | Y558 L566 L567 S569 | Y558-P585 HydrophobicContact CD1-CG 3.71Å; Y558-P585 HydrophobicContact CD2-CG 3.95Å; Y558-P585 HydrophobicContact CE1-CG 4.37Å; Y558-P585 HydrophobicContact CG-CG 3.47Å; Y558-P585 VanDerWaalsContact CG-CG 3.47Å; L566-P585 HydrophobicContact CD1-CB 3.72Å; L566-P585 HydrophobicContact CD1-CG 3.76Å; L566-P585 HydrophobicContact CD2-CB 4.13Å; L566-P585 HydrophobicContact CD2-CG 4.28Å; L566-P585 HydrophobicContact CG-CB 3.85Å; L566-P585 HydrophobicContact CG-CG 4.28Å; L567-P585 VanDerWaalsContact O-CA 3.27Å; L567-P585 WeakPolarHBondContact O-CA 3.36Å; L567-P585 VanDerWaalsContact O-CB 3.31Å; L567-P585 WeakPolarHBondContact O-CB 3.31Å; S569-P585 WeakPolarHBondContact O-CG 3.27Å |
| 586 | A | 93.9 | Very high | 88.6 | Confident | 57 Ų | 57 | 60.6 Ų | 60.6 | 47% | 0.471 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 148.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L567 | L567-A586 PolarHBondContact N-O 3.35Å; L567-A586 PolarHBondContact O-N 3.5Å |
| 587 | C | 94.2 | Very high | 89.2 | Confident | 18 Ų | 18 | 52 Ų | 52 | 12% | 0.122 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 117.7 | 176.3 | -64.5 | 0 | 0 | 0 | 0 | 110.7 | E539 C560 Y564 E565 | E539-C587 WeakPolarHBondContact O-CB 3.42Å; C560-C587 VanDerWaalsContact CA-SG 3.5Å; C560-C587 HydrophobicContact CB-CB 3.79Å; C560-C587 WeakPolarHBondContact CB-SG 3.37Å; C560-C587 VanDerWaalsContact SG-CA 3.56Å; C560-C587 WeakPolarHBondContact SG-CB 3.42Å; C560-C587 CovalentContact SG-SG 2.04Å; C560-C587 PolarHBondContact SG-SG 3.36Å; Y564-C587 HydrophobicContact CD1-CB 4.21Å; E565-C587 CarbonylContact O-C 3.5Å; E565-C587 WeakPolarHBondContact O-CA 3.33Å |
| 588 | Q | 91.1 | Very high | 89.5 | Confident | 108 Ų | 108 | 55.2 Ų | 55.2 | 51% | 0.505 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 137.2 | 175.4 | -177.6 | 166.5 | 39.5 | 0 | 0 | 110.8 | Y564 E565 L567 I590 | Y564-Q588 CarbonylContact C-O 3.5Å; Y564-Q588 WeakPolarHBondContact CA-O 3.05Å; E565-Q588 PolarHBondContact N-O 3.35Å; E565-Q588 PolarHBondContact O-N 2.61Å; L567-Q588 HydrophobicContact CD1-CB 3.74Å; L567-Q588 HydrophobicContact CG-CB 4.12Å; Q588-I590 PolarHBondContact O-N 2.92Å |
| 589 | K | 87.3 | Confident | 90 | Very high | 74 Ų | 74 | 54.3 Ų | 54.3 | 32% | 0.322 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 128.1 | 176 | -175.2 | 166.3 | -178.3 | 162.4 | 0 | 110.8 | Y564 M591 | Y564-K589 HydrophobicContact CD1-CB 4.04Å; Y564-K589 HydrophobicContact CE1-CB 3.81Å; K589-M591 HydrophobicContact CD-SD 4.25Å; K589-M591 HydrophobicContact CG-SD 4.11Å; K589-M591 PolarHBondContact O-N 3.03Å |
| 590 | I | 89.1 | Confident | 90.1 | Very high | 31 Ų | 31 | 56.1 Ų | 56.1 | 16% | 0.159 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 117.2 | 178.8 | -60.7 | 163.9 | 0 | 0 | 0 | 108.6 | G563 E565 Q588 T642 P643 | G563-I590 WeakPolarHBondContact O-CB 3.04Å; G563-I590 PolarHBondContact O-N 2.03Å; E565-I590 HydrophobicContact CB-CD1 4.02Å; E565-I590 HydrophobicContact CB-CG1 3.81Å; E565-I590 HydrophobicContact CG-CG1 3.87Å; Q588-I590 PolarHBondContact O-N 2.92Å; I590-T642 HydrophobicContact CD1-CG2 3.75Å; I590-P643 VanDerWaalsContact O-CD 3.24Å; I590-P643 WeakPolarHBondContact O-CD 3.35Å; I590-P643 WeakPolarHBondContact O-CG 3.44Å |
| 591 | M | 86.3 | Confident | 89.9 | Confident | 97 Ų | 97 | 58 Ų | 58 | 48% | 0.478 | 36% | 0.361 | S | S | . | . | trans | -111.6 | 12.3 | -176.7 | -66 | -59.5 | -62.5 | 0 | 0 | 113.6 | K589 P612 V613 | K589-M591 HydrophobicContact CD-SD 4.25Å; K589-M591 HydrophobicContact CG-SD 4.11Å; K589-M591 PolarHBondContact O-N 3.03Å; M591-P612 WeakPolarHBondContact O-CA 3.45Å; M591-V613 HydrophobicContact CE-CG2 4.44Å; M591-V613 PolarHBondContact O-N 2.93Å | ||
| 592 | T | 89.5 | Confident | 89.8 | Confident | 64 Ų | 64 | 56.5 Ų | 56.5 | 39% | 0.393 | 35% | 0.353 | S | S | . | . | B | Isolated β-bridge | trans | -123.3 | 152.7 | -179.3 | 53.2 | 0 | 0 | 0 | 0 | 111.5 | G610 F611 | T592-G610 VanDerWaalsContact CG2-O 3.24Å; T592-G610 WeakPolarHBondContact CG2-O 3.39Å; T592-F611 CarbonylContact C-O 3.58Å; T592-F611 WeakPolarHBondContact CA-O 3.48Å |
| 593 | C | 89.1 | Confident | 89.8 | Confident | 6 Ų | 6 | 59.2 Ų | 59.2 | 4% | 0.041 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -91 | 145.1 | 167.3 | -70.9 | 0 | 0 | 0 | 0 | 110.5 | F611 C635 K644 W645 | C593-F611 HydrophobicContact CB-CB 4.49Å; C593-F611 PolarHBondContact N-O 2.87Å; C593-F611 WeakPolarHBondContact O-CB 3.45Å; C593-C635 HydrophobicContact CB-CB 3.88Å; C593-C635 WeakPolarHBondContact CB-SG 3.16Å; C593-C635 VanDerWaalsContact SG-CA 3.51Å; C593-C635 WeakPolarHBondContact SG-CB 3.32Å; C593-C635 CovalentContact SG-SG 2.04Å; C593-C635 PolarHBondContact SG-SG 3.13Å; C593-K644 VanDerWaalsContact SG-C 3.52Å; C593-K644 PolarHBondContact SG-N 3.47Å; C593-W645 HydrophobicContact CB-CD2 4.18Å; C593-W645 HydrophobicContact CB-CH2 4.39Å; C593-W645 HydrophobicContact CB-CZ2 3.63Å |
| 594 | A | 88.4 | Confident | 89.8 | Confident | 85 Ų | 85 | 58.8 Ų | 58.8 | 70% | 0.702 | 34% | 0.342 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 148.4 | 171 | 0 | 0 | 0 | 0 | 0 | 111.5 | P596 W645 | A594-P596 WeakPolarHBondContact O-CD 3.4Å; A594-W645 PolarHBondContact O-NE1 2.78Å |
| 595 | D | 90 | Very high | 89.8 | Confident | 86 Ų | 86 | 59.4 Ų | 59.4 | 46% | 0.46 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -57 | 119.9 | -178.9 | -173.3 | -14.2 | 0 | 0 | 0 | 110.9 | G597 R604 F611 | D595-G597 PolarHBondContact O-N 3.01Å; D595-G597 PolarHBondContact OD1-N 2.89Å; D595-R604 IonicContact OD1-CZ 2.74Å; D595-R604 IonicContact OD1-NH1 2.71Å; D595-R604 PolarHBondContact OD1-NH1 2.96Å; D595-R604 IonicContact OD1-NH2 2.74Å; D595-R604 IonicContact OD2-CZ 2.71Å; D595-R604 IonicContact OD2-NH1 2.74Å; D595-R604 PolarHBondContact OD2-NH1 2.78Å; D595-R604 IonicContact OD2-NH2 3.91Å; D595-R604 PolarHBondContact OD2-NH2 2.92Å; D595-F611 HydrophobicContact CB-CD2 4.36Å; D595-F611 HydrophobicContact CB-CE2 3.69Å; D595-F611 HydrophobicContact CB-CZ 4.42Å |
| 596 | P | 87.3 | Confident | 89.7 | Confident | 17 Ų | 17 | 61 Ų | 61 | 11% | 0.11 | 36% | 0.359 | C | S | . | . | trans | -72.4 | -3.7 | 177.7 | 30.6 | -34.7 | 0 | 0 | 0 | 113.7 | A594 V617 Y619 L633 W645 V649 | A594-P596 WeakPolarHBondContact O-CD 3.4Å; P596-V617 HydrophobicContact CG-CG2 4.21Å; P596-Y619 WeakPolarHBondContact CG-OH 3.34Å; P596-L633 HydrophobicContact CB-CD1 4.07Å; P596-W645 HydrophobicContact CG-CD2 4.45Å; P596-W645 HydrophobicContact CG-CZ2 3.86Å; P596-V649 HydrophobicContact CB-CG2 4.27Å; P596-V649 WeakPolarHBondContact O-CG2 3.29Å | ||
| 597 | G | 87.6 | Confident | 89.5 | Confident | 25 Ų | 25 | 60.6 Ų | 60.6 | 26% | 0.258 | 35% | 0.353 | S | S | . | . | trans | 77.5 | -171.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | D595 R604 Y619 | D595-G597 PolarHBondContact O-N 3.01Å; D595-G597 PolarHBondContact OD1-N 2.89Å; G597-R604 VanDerWaalsContact C-NH1 3.31Å; G597-R604 WeakPolarHBondContact O-CD 3.27Å; G597-R604 PolarHBondContact O-NH1 3.47Å; G597-Y619 PolarHBondContact O-OH 3.29Å | ||
| 598 | E | 88.2 | Confident | 89.2 | Confident | 151 Ų | 151 | 63.3 Ų | 63.3 | 71% | 0.706 | 37% | 0.366 | S | S | * | . | trans | -108.1 | 155.2 | -178.2 | -71.5 | -175.5 | 179.8 | 0 | 0 | 111.9 | R604 | E598-R604 HydrophobicContact CG-CG 4.12Å; E598-R604 IonicContact OE1-CZ 3.75Å; E598-R604 IonicContact OE1-NE 3.17Å; E598-R604 PolarHBondContact OE1-NE 3.22Å; E598-R604 VanDerWaalsContact OE1-NE 3.14Å; E598-R604 IonicContact OE1-NH2 3.16Å | ||
| 599 | I | 90.6 | Very high | 88.7 | Confident | 19 Ų | 19 | 63.5 Ų | 63.5 | 10% | 0.097 | 39% | 0.386 | C | S | . | . | trans | -111.4 | 135.5 | -177.9 | 64 | 174.1 | 0 | 0 | 0 | 110.8 | G602 Y619 V649 P650 C652 | I599-G602 PolarHBondContact O-N 2.64Å; I599-Y619 HydrophobicContact CB-CD1 4.45Å; I599-Y619 HydrophobicContact CD1-CD1 3.63Å; I599-Y619 HydrophobicContact CD1-CG 4.13Å; I599-Y619 HydrophobicContact CG1-CD1 3.83Å; I599-Y619 HydrophobicContact CG1-CE1 4.38Å; I599-Y619 HydrophobicContact CG2-CD1 3.82Å; I599-Y619 HydrophobicContact CG2-CE1 3.74Å; I599-V649 HydrophobicContact CG2-CG1 3.58Å; I599-P650 VanDerWaalsContact CG2-O 3.26Å; I599-P650 WeakPolarHBondContact CG2-O 3.35Å; I599-C652 VanDerWaalsContact CD1-SG 3.57Å | ||
| 600 | A | 88.6 | Confident | 88.3 | Confident | 78 Ų | 78 | 62 Ų | 62 | 65% | 0.645 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | 140.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | G602 C652 | A600-G602 PolarHBondContact O-N 3.4Å; A600-C652 WeakPolarHBondContact O-CB 3.41Å |
| 601 | N | 89 | Confident | 88.4 | Confident | 69 Ų | 69 | 61.6 Ų | 61.6 | 37% | 0.369 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58 | 28.5 | -179.2 | -52.6 | -47.8 | 0 | 0 | 0 | 115 | L622 Y625 C652 | N601-L622 WeakPolarHBondContact O-CB 3.48Å; N601-L622 WeakPolarHBondContact O-CG 3.34Å; N601-L622 PolarHBondContact O-N 2.65Å; N601-Y625 HydrophobicContact CB-CD1 3.67Å; N601-Y625 HydrophobicContact CB-CD2 4.05Å; N601-Y625 HydrophobicContact CB-CE1 3.55Å; N601-Y625 HydrophobicContact CB-CE2 3.95Å; N601-Y625 HydrophobicContact CB-CG 3.93Å; N601-Y625 VanDerWaalsContact CG-CE1 3.46Å; N601-Y625 VanDerWaalsContact CG-CZ 3.44Å; N601-Y625 VanDerWaalsContact ND2-CE1 3.26Å; N601-Y625 WeakPolarHBondContact ND2-CE1 3.5Å; N601-C652 HydrophobicContact CB-CB 4.14Å |
| 602 | G | 88.7 | Confident | 88.6 | Confident | 20 Ų | 20 | 59.4 Ų | 59.4 | 21% | 0.206 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | -173.8 | 172 | 0 | 0 | 0 | 0 | 0 | 112.9 | I599 A600 R620 | I599-G602 PolarHBondContact O-N 2.64Å; A600-G602 PolarHBondContact O-N 3.4Å; G602-R620 CarbonylContact C-O 3.52Å; G602-R620 WeakPolarHBondContact CA-O 3.44Å |
| 603 | H | 90.8 | Very high | 88.5 | Confident | 88 Ų | 88 | 59 Ų | 59 | 41% | 0.407 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 155.7 | 169.6 | 60.9 | -77.8 | 0 | 0 | 0 | 110.3 | R620 | H603-R620 VanDerWaalsContact CE1-CB 3.44Å; H603-R620 WeakPolarHBondContact CE1-CB 3.02Å; H603-R620 PolarHBondContact N-O 3.32Å; H603-R620 PolarHBondContact ND1-O 2.87Å; H603-R620 PolarHBondContact O-N 2.83Å |
| 604 | R | 91.1 | Very high | 88.4 | Confident | 69 Ų | 69 | 61.3 Ų | 61.3 | 26% | 0.26 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 156.5 | 174.9 | 67.1 | 178.4 | -179.8 | 163.3 | 4.3 | 111.7 | D595 G597 E598 V617 Q618 Y619 | D595-R604 IonicContact OD1-CZ 2.74Å; D595-R604 IonicContact OD1-NH1 2.71Å; D595-R604 PolarHBondContact OD1-NH1 2.96Å; D595-R604 IonicContact OD1-NH2 2.74Å; D595-R604 IonicContact OD2-CZ 2.71Å; D595-R604 IonicContact OD2-NH1 2.74Å; D595-R604 PolarHBondContact OD2-NH1 2.78Å; D595-R604 IonicContact OD2-NH2 3.91Å; D595-R604 PolarHBondContact OD2-NH2 2.92Å; G597-R604 VanDerWaalsContact C-NH1 3.31Å; G597-R604 WeakPolarHBondContact O-CD 3.27Å; G597-R604 PolarHBondContact O-NH1 3.47Å; E598-R604 HydrophobicContact CG-CG 4.12Å; E598-R604 IonicContact OE1-CZ 3.75Å; E598-R604 IonicContact OE1-NE 3.17Å; E598-R604 PolarHBondContact OE1-NE 3.22Å; E598-R604 VanDerWaalsContact OE1-NE 3.14Å; E598-R604 IonicContact OE1-NH2 3.16Å; R604-V617 HydrophobicContact CB-CG1 4.34Å; R604-Q618 CarbonylContact C-O 3.54Å; R604-Q618 WeakPolarHBondContact CA-O 3.44Å; R604-Y619 HydrophobicContact CB-CD1 3.85Å; R604-Y619 HydrophobicContact CB-CE1 3.65Å |
| 605 | T | 91.8 | Very high | 88.6 | Confident | 76 Ų | 76 | 57.3 Ų | 57.3 | 47% | 0.466 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 109 | 172 | -53.3 | 0 | 0 | 0 | 0 | 108.3 | Q618 | T605-Q618 PolarHBondContact N-O 3.09Å; T605-Q618 PolarHBondContact O-N 2.82Å |
| 606 | A | 90.2 | Very high | 88.7 | Confident | 43 Ų | 43 | 57.3 Ų | 57.3 | 36% | 0.355 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 150.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111 | F611 V617 | A606-F611 HydrophobicContact CB-CE1 3.82Å; A606-V617 HydrophobicContact CB-CG2 4.05Å |
| 607 | S | 90.4 | Very high | 89 | Confident | 49 Ų | 49 | 56.5 Ų | 56.5 | 34% | 0.343 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -69.6 | -39.8 | 170 | 58.5 | 0 | 0 | 0 | 0 | 112.4 | S615 H616 | S607-S615 WeakPolarHBondContact OG-CA 3.22Å; S607-H616 PolarHBondContact N-O 2.96Å; S607-H616 PolarHBondContact OG-N 3.13Å; S607-H616 PolarHBondContact OG-O 3.46Å |
| 608 | D | 88.9 | Confident | 89.2 | Confident | 75 Ų | 75 | 58.3 Ų | 58.3 | 40% | 0.401 | 36% | 0.364 | S | S | . | . | trans | -138.5 | 144.1 | -171.1 | -49.5 | -86.8 | 0 | 0 | 0 | 110.8 | G610 S615 | D608-G610 VanDerWaalsContact C-N 3.29Å; D608-G610 PolarHBondContact O-N 2.96Å; D608-S615 WeakPolarHBondContact CB-OG 3.5Å; D608-S615 VanDerWaalsContact CG-OG 3.25Å; D608-S615 WeakPolarHBondContact OD2-CB 3.4Å; D608-S615 PolarHBondContact OD2-OG 3.33Å | ||
| 609 | A | 79.1 | Confident | 89.5 | Confident | 111 Ų | 111 | 51.3 Ų | 51.3 | 92% | 0.917 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -8.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 610 | G | 80 | Confident | 89.5 | Confident | 44 Ų | 44 | 56.8 Ų | 56.8 | 45% | 0.454 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.9 | 7.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115 | T592 D608 | T592-G610 VanDerWaalsContact CG2-O 3.24Å; T592-G610 WeakPolarHBondContact CG2-O 3.39Å; D608-G610 VanDerWaalsContact C-N 3.29Å; D608-G610 PolarHBondContact O-N 2.96Å |
| 611 | F | 90.6 | Very high | 89.6 | Confident | 21 Ų | 21 | 54.4 Ų | 54.4 | 9% | 0.092 | 33% | 0.329 | C | S | . | . | trans | 45.1 | 46.3 | 178.3 | -44.9 | -67.6 | 0 | 0 | 0 | 117.2 | T592 C593 D595 A606 V617 W645 | T592-F611 CarbonylContact C-O 3.58Å; T592-F611 WeakPolarHBondContact CA-O 3.48Å; C593-F611 HydrophobicContact CB-CB 4.49Å; C593-F611 PolarHBondContact N-O 2.87Å; C593-F611 WeakPolarHBondContact O-CB 3.45Å; D595-F611 HydrophobicContact CB-CD2 4.36Å; D595-F611 HydrophobicContact CB-CE2 3.69Å; D595-F611 HydrophobicContact CB-CZ 4.42Å; A606-F611 HydrophobicContact CB-CE1 3.82Å; F611-V617 HydrophobicContact CD1-CG2 3.98Å; F611-V617 HydrophobicContact CE1-CG2 3.74Å; F611-W645 HydrophobicContact CB-CH2 3.99Å; F611-W645 HydrophobicContact CB-CZ2 3.78Å; F611-W645 AromaticContact CD1-CH2 3.73Å; F611-W645 HydrophobicContact CD1-CH2 3.73Å; F611-W645 AromaticContact CD1-CZ2 3.79Å; F611-W645 HydrophobicContact CD1-CZ2 3.79Å; F611-W645 HydrophobicContact CG-CH2 4.12Å; F611-W645 AromaticContact CG-CZ2 3.84Å; F611-W645 HydrophobicContact CG-CZ2 3.84Å | ||
| 612 | P | 90 | Very high | 89.6 | Confident | 52 Ų | 52 | 55.1 Ų | 55.1 | 34% | 0.338 | 33% | 0.333 | S | S | . | . | B | Isolated β-bridge | trans | -58.3 | 162.5 | 170.2 | 26.1 | -35 | 0 | 0 | 0 | 112.9 | M591 G614 S615 | M591-P612 WeakPolarHBondContact O-CA 3.45Å; P612-G614 PolarHBondContact O-N 3.17Å; P612-S615 WeakPolarHBondContact CD-OG 3.46Å; P612-S615 VanDerWaalsContact CG-OG 3.32Å; P612-S615 WeakPolarHBondContact CG-OG 3.38Å; P612-S615 WeakPolarHBondContact O-CB 3.35Å; P612-S615 PolarHBondContact O-N 2.84Å; P612-S615 PolarHBondContact O-OG 2.92Å |
| 613 | V | 88.8 | Confident | 89.4 | Confident | 55 Ų | 55 | 60.2 Ų | 60.2 | 33% | 0.333 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 127.9 | 170.5 | 169.8 | 0 | 0 | 0 | 0 | 110.3 | M591 P643 | M591-V613 HydrophobicContact CE-CG2 4.44Å; M591-V613 PolarHBondContact O-N 2.93Å; V613-P643 HydrophobicContact CG2-CB 3.97Å; V613-P643 HydrophobicContact CG2-CG 3.98Å |
| 614 | G | 86.9 | Confident | 88.7 | Confident | 54 Ų | 54 | 58.1 Ų | 58.1 | 56% | 0.557 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.6 | -19 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | P612 C635 | P612-G614 PolarHBondContact O-N 3.17Å; G614-C635 PolarHBondContact N-O 2.81Å |
| 615 | S | 91.4 | Very high | 88.3 | Confident | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.014 | 37% | 0.365 | C | S | . | . | trans | -65.1 | 154.1 | 173.6 | -66.3 | 0 | 0 | 0 | 0 | 112.4 | S607 D608 P612 C635 | S607-S615 WeakPolarHBondContact OG-CA 3.22Å; D608-S615 WeakPolarHBondContact CB-OG 3.5Å; D608-S615 VanDerWaalsContact CG-OG 3.25Å; D608-S615 WeakPolarHBondContact OD2-CB 3.4Å; D608-S615 PolarHBondContact OD2-OG 3.33Å; P612-S615 WeakPolarHBondContact CD-OG 3.46Å; P612-S615 VanDerWaalsContact CG-OG 3.32Å; P612-S615 WeakPolarHBondContact CG-OG 3.38Å; P612-S615 WeakPolarHBondContact O-CB 3.35Å; P612-S615 PolarHBondContact O-N 2.84Å; P612-S615 PolarHBondContact O-OG 2.92Å; S615-C635 PolarHBondContact O-N 2.9Å | ||
| 616 | H | 93.1 | Very high | 88 | Confident | 85 Ų | 85 | 57 Ų | 57 | 39% | 0.394 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 143.1 | -173.2 | 63.9 | -96.5 | 0 | 0 | 0 | 112.7 | S607 M632 L633 T634 | S607-H616 PolarHBondContact N-O 2.96Å; S607-H616 PolarHBondContact OG-N 3.13Å; S607-H616 PolarHBondContact OG-O 3.46Å; H616-M632 HydrophobicContact CB-SD 3.66Å; H616-L633 CarbonylContact C-O 3.48Å; H616-L633 WeakPolarHBondContact CA-O 3.26Å; H616-T634 HydrophobicContact CB-CG2 3.84Å |
| 617 | V | 92.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 113.6 | -174.3 | -174.6 | 0 | 0 | 0 | 0 | 110 | P596 R604 A606 F611 Y619 M632 L633 W645 | P596-V617 HydrophobicContact CG-CG2 4.21Å; R604-V617 HydrophobicContact CB-CG1 4.34Å; A606-V617 HydrophobicContact CB-CG2 4.05Å; F611-V617 HydrophobicContact CD1-CG2 3.98Å; F611-V617 HydrophobicContact CE1-CG2 3.74Å; V617-Y619 HydrophobicContact CB-CE2 4.26Å; V617-Y619 HydrophobicContact CG1-CD2 4.31Å; V617-Y619 HydrophobicContact CG1-CE2 3.68Å; V617-M632 WeakPolarHBondContact O-CA 3.45Å; V617-M632 VanDerWaalsContact O-SD 3.38Å; V617-L633 PolarHBondContact N-O 3.12Å; V617-L633 PolarHBondContact O-N 2.76Å; V617-W645 HydrophobicContact CG2-CH2 3.68Å; V617-W645 HydrophobicContact CG2-CZ2 4.36Å; V617-W645 HydrophobicContact CG2-CZ3 4.01Å |
| 618 | Q | 93.2 | Very high | 87.8 | Confident | 64 Ų | 64 | 60.3 Ų | 60.3 | 30% | 0.299 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 139.6 | 174 | -162.2 | 164.2 | 74.2 | 0 | 0 | 111.1 | R604 T605 R620 A631 M632 | R604-Q618 CarbonylContact C-O 3.54Å; R604-Q618 WeakPolarHBondContact CA-O 3.44Å; T605-Q618 PolarHBondContact N-O 3.09Å; T605-Q618 PolarHBondContact O-N 2.82Å; Q618-R620 HydrophobicContact CG-CG 4.44Å; Q618-R620 VanDerWaalsContact OE1-CZ 3.23Å; Q618-A631 WeakPolarHBondContact CA-O 3.22Å; Q618-A631 WeakPolarHBondContact CG-O 3.44Å; Q618-M632 HydrophobicContact CB-CE 3.56Å; Q618-M632 HydrophobicContact CG-CE 3.96Å |
| 619 | Y | 93.3 | Very high | 87.8 | Confident | 3 Ų | 3 | 59.9 Ų | 59.9 | 1% | 0.012 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 139.9 | 173.8 | -71.8 | -80.9 | 0 | 0 | 0 | 110.6 | P596 G597 I599 R604 V617 L627 A631 L633 P650 | P596-Y619 WeakPolarHBondContact CG-OH 3.34Å; G597-Y619 PolarHBondContact O-OH 3.29Å; I599-Y619 HydrophobicContact CB-CD1 4.45Å; I599-Y619 HydrophobicContact CD1-CD1 3.63Å; I599-Y619 HydrophobicContact CD1-CG 4.13Å; I599-Y619 HydrophobicContact CG1-CD1 3.83Å; I599-Y619 HydrophobicContact CG1-CE1 4.38Å; I599-Y619 HydrophobicContact CG2-CD1 3.82Å; I599-Y619 HydrophobicContact CG2-CE1 3.74Å; R604-Y619 HydrophobicContact CB-CD1 3.85Å; R604-Y619 HydrophobicContact CB-CE1 3.65Å; V617-Y619 HydrophobicContact CB-CE2 4.26Å; V617-Y619 HydrophobicContact CG1-CD2 4.31Å; V617-Y619 HydrophobicContact CG1-CE2 3.68Å; Y619-L627 WeakPolarHBondContact O-CD1 3.29Å; Y619-A631 PolarHBondContact N-O 3.11Å; Y619-L633 HydrophobicContact CD2-CG 4.49Å; Y619-L633 HydrophobicContact CE2-CD1 3.84Å; Y619-L633 HydrophobicContact CE2-CG 4.07Å; Y619-P650 HydrophobicContact CD1-CG 4.4Å; Y619-P650 HydrophobicContact CD2-CG 3.71Å; Y619-P650 HydrophobicContact CE2-CG 4.43Å; Y619-P650 HydrophobicContact CG-CG 3.68Å |
| 620 | R | 91.6 | Very high | 88.3 | Confident | 134 Ų | 134 | 55.9 Ų | 55.9 | 51% | 0.506 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 125.2 | -178.7 | -63.4 | -178.4 | -174 | -176.2 | 4.4 | 110.5 | G602 H603 Q618 | G602-R620 CarbonylContact C-O 3.52Å; G602-R620 WeakPolarHBondContact CA-O 3.44Å; H603-R620 VanDerWaalsContact CE1-CB 3.44Å; H603-R620 WeakPolarHBondContact CE1-CB 3.02Å; H603-R620 PolarHBondContact N-O 3.32Å; H603-R620 PolarHBondContact ND1-O 2.87Å; H603-R620 PolarHBondContact O-N 2.83Å; Q618-R620 HydrophobicContact CG-CG 4.44Å; Q618-R620 VanDerWaalsContact OE1-CZ 3.23Å |
| 621 | C | 90.7 | Very high | 88.7 | Confident | 29 Ų | 29 | 56.2 Ų | 56.2 | 20% | 0.196 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 158.2 | 178.9 | -59.8 | 0 | 0 | 0 | 0 | 113.1 | L627 C652 | C621-L627 VanDerWaalsContact SG-CA 3.52Å; C621-L627 VanDerWaalsContact SG-CB 3.57Å; C621-C652 WeakPolarHBondContact CA-SG 3.46Å; C621-C652 HydrophobicContact CB-CB 3.83Å; C621-C652 WeakPolarHBondContact CB-SG 3.33Å; C621-C652 VanDerWaalsContact SG-CA 3.51Å; C621-C652 WeakPolarHBondContact SG-CB 3.39Å; C621-C652 CovalentContact SG-SG 2.03Å; C621-C652 PolarHBondContact SG-SG 3.1Å |
| 622 | L | 88.9 | Confident | 88.8 | Confident | 83 Ų | 83 | 58.3 Ų | 58.3 | 44% | 0.435 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 158.5 | 171.3 | -65.1 | 177.8 | 0 | 0 | 0 | 111.2 | N601 G624 Y625 | N601-L622 WeakPolarHBondContact O-CB 3.48Å; N601-L622 WeakPolarHBondContact O-CG 3.34Å; N601-L622 PolarHBondContact O-N 2.65Å; L622-G624 PolarHBondContact O-N 3.49Å; L622-Y625 HydrophobicContact CB-CD2 4.34Å; L622-Y625 WeakPolarHBondContact O-CB 3.38Å; L622-Y625 PolarHBondContact O-N 3.31Å |
| 623 | P | 84.6 | Confident | 89 | Confident | 128 Ų | 128 | 55.9 Ų | 55.9 | 83% | 0.831 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 136.4 | 175.7 | -26.5 | 35.6 | 0 | 0 | 0 | 112.5 | ||
| 624 | G | 74.8 | Confident | 89.1 | Confident | 44 Ų | 44 | 55 Ų | 55 | 45% | 0.454 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.8 | -10.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L622 K655 | L622-G624 PolarHBondContact O-N 3.49Å; G624-K655 PolarHBondContact O-N 3.44Å |
| 625 | Y | 84.1 | Confident | 89.4 | Confident | 71 Ų | 71 | 52.4 Ų | 52.4 | 28% | 0.278 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 147.4 | 177.9 | -63.3 | -100.4 | 0 | 0 | 0 | 112 | N601 L622 C652 A653 L654 | N601-Y625 HydrophobicContact CB-CD1 3.67Å; N601-Y625 HydrophobicContact CB-CD2 4.05Å; N601-Y625 HydrophobicContact CB-CE1 3.55Å; N601-Y625 HydrophobicContact CB-CE2 3.95Å; N601-Y625 HydrophobicContact CB-CG 3.93Å; N601-Y625 VanDerWaalsContact CG-CE1 3.46Å; N601-Y625 VanDerWaalsContact CG-CZ 3.44Å; N601-Y625 VanDerWaalsContact ND2-CE1 3.26Å; N601-Y625 WeakPolarHBondContact ND2-CE1 3.5Å; L622-Y625 HydrophobicContact CB-CD2 4.34Å; L622-Y625 WeakPolarHBondContact O-CB 3.38Å; L622-Y625 PolarHBondContact O-N 3.31Å; Y625-C652 HydrophobicContact CD1-CB 4.37Å; Y625-A653 CarbonylContact C-O 3.51Å; Y625-A653 WeakPolarHBondContact CA-O 3.32Å; Y625-L654 HydrophobicContact CD1-CD2 4Å; Y625-L654 HydrophobicContact CD1-CG 4.07Å; Y625-L654 HydrophobicContact CD2-CD2 4.42Å; Y625-L654 HydrophobicContact CE1-CD2 3.49Å; Y625-L654 VanDerWaalsContact CE1-CD2 3.49Å; Y625-L654 HydrophobicContact CE1-CG 3.55Å; Y625-L654 HydrophobicContact CE2-CD2 3.96Å; Y625-L654 HydrophobicContact CG-CD2 4.43Å; Y625-L654 VanDerWaalsContact CZ-CD2 3.46Å |
| 626 | S | 84.6 | Confident | 89.4 | Confident | 51 Ų | 51 | 59 Ų | 59 | 36% | 0.357 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 145.7 | 172.2 | 41 | 0 | 0 | 0 | 0 | 111.3 | C652 A653 | S626-C652 WeakPolarHBondContact O-CA 3.39Å; S626-A653 PolarHBondContact N-O 2.96Å; S626-A653 PolarHBondContact O-N 3.43Å |
| 627 | L | 88.5 | Confident | 89 | Confident | 52 Ų | 52 | 57.7 Ų | 57.7 | 27% | 0.272 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 127.2 | -177.4 | -167.7 | 145.9 | 0 | 0 | 0 | 111.1 | Y619 C621 G629 A631 P650 K651 | Y619-L627 WeakPolarHBondContact O-CD1 3.29Å; C621-L627 VanDerWaalsContact SG-CA 3.52Å; C621-L627 VanDerWaalsContact SG-CB 3.57Å; L627-G629 VanDerWaalsContact CD2-O 3.27Å; L627-G629 WeakPolarHBondContact CD2-O 3.45Å; L627-A631 HydrophobicContact CD1-CB 4.31Å; L627-A631 HydrophobicContact CD2-CB 4.09Å; L627-P650 HydrophobicContact CD1-CB 4.31Å; L627-P650 HydrophobicContact CD1-CG 4.3Å; L627-P650 HydrophobicContact CD2-CB 3.72Å; L627-P650 HydrophobicContact CD2-CG 4.42Å; L627-P650 HydrophobicContact CG-CB 4Å; L627-K651 CarbonylContact C-O 3.55Å; L627-K651 WeakPolarHBondContact CA-O 3.45Å |
| 628 | E | 89 | Confident | 88.5 | Confident | 109 Ų | 109 | 63.4 Ų | 63.4 | 51% | 0.509 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 118.1 | 175.5 | -63.8 | 179.4 | 160.4 | 0 | 0 | 108.9 | P650 K651 A653 | E628-P650 CarbonylContact O-C 3.45Å; E628-P650 VanDerWaalsContact O-CA 3.3Å; E628-P650 WeakPolarHBondContact O-CA 3.5Å; E628-P650 VanDerWaalsContact O-CB 3.3Å; E628-P650 WeakPolarHBondContact O-CB 3.47Å; E628-K651 PolarHBondContact N-O 3.14Å; E628-K651 PolarHBondContact O-N 2.84Å; E628-A653 VanDerWaalsContact CD-CB 3.43Å; E628-A653 HydrophobicContact CG-CB 4.13Å; E628-A653 WeakPolarHBondContact OE1-CB 3.32Å |
| 629 | G | 87.3 | Confident | 87.3 | Confident | 65 Ų | 65 | 67.3 Ų | 67.3 | 67% | 0.67 | 38% | 0.376 | S | S | * | . | S | Bend | trans | 107.6 | -163.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L627 A631 | L627-G629 VanDerWaalsContact CD2-O 3.27Å; L627-G629 WeakPolarHBondContact CD2-O 3.45Å; G629-A631 PolarHBondContact O-N 3.21Å |
| 630 | A | 90.6 | Very high | 86 | Confident | 27 Ų | 27 | 72.6 Ų | 72.6 | 22% | 0.223 | 41% | 0.409 | C | S | . | . | trans | -75.3 | 121.6 | -179 | 0 | 0 | 0 | 0 | 0 | 111.4 | M632 L633 D647 P650 | A630-M632 PolarHBondContact O-N 2.59Å; A630-L633 HydrophobicContact CB-CD2 4.06Å; A630-D647 HydrophobicContact CB-CB 3.89Å; A630-P650 WeakPolarHBondContact O-CG 3.27Å | ||
| 631 | A | 88.7 | Confident | 85.3 | Confident | 51 Ų | 51 | 66.5 Ų | 66.5 | 42% | 0.421 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -71.8 | -6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q618 Y619 L627 G629 | Q618-A631 WeakPolarHBondContact CA-O 3.22Å; Q618-A631 WeakPolarHBondContact CG-O 3.44Å; Y619-A631 PolarHBondContact N-O 3.11Å; L627-A631 HydrophobicContact CD1-CB 4.31Å; L627-A631 HydrophobicContact CD2-CB 4.09Å; G629-A631 PolarHBondContact O-N 3.21Å |
| 632 | M | 92.6 | Very high | 85 | Confident | 65 Ų | 65 | 68.3 Ų | 68.3 | 32% | 0.32 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 128.4 | -178.3 | 176.3 | 56.5 | 72 | 0 | 0 | 109.1 | H616 V617 Q618 A630 | H616-M632 HydrophobicContact CB-SD 3.66Å; V617-M632 WeakPolarHBondContact O-CA 3.45Å; V617-M632 VanDerWaalsContact O-SD 3.38Å; Q618-M632 HydrophobicContact CB-CE 3.56Å; Q618-M632 HydrophobicContact CG-CE 3.96Å; A630-M632 PolarHBondContact O-N 2.59Å |
| 633 | L | 92.9 | Very high | 85 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.005 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 135.3 | 170.7 | -55.6 | -176.3 | 0 | 0 | 0 | 109.9 | P596 H616 V617 Y619 A630 W645 D647 | P596-L633 HydrophobicContact CB-CD1 4.07Å; H616-L633 CarbonylContact C-O 3.48Å; H616-L633 WeakPolarHBondContact CA-O 3.26Å; V617-L633 PolarHBondContact N-O 3.12Å; V617-L633 PolarHBondContact O-N 2.76Å; Y619-L633 HydrophobicContact CD2-CG 4.49Å; Y619-L633 HydrophobicContact CE2-CD1 3.84Å; Y619-L633 HydrophobicContact CE2-CG 4.07Å; A630-L633 HydrophobicContact CB-CD2 4.06Å; L633-W645 HydrophobicContact CB-CD2 4.34Å; L633-W645 HydrophobicContact CB-CE3 3.73Å; L633-W645 HydrophobicContact CB-CZ3 4.37Å; L633-D647 HydrophobicContact CD2-CB 3.56Å |
| 634 | T | 92.6 | Very high | 85.2 | Confident | 37 Ų | 37 | 65.4 Ų | 65.4 | 23% | 0.227 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 137.5 | 175.4 | 37.2 | 0 | 0 | 0 | 0 | 111.2 | H616 Y636 W645 S646 | H616-T634 HydrophobicContact CB-CG2 3.84Å; T634-Y636 WeakPolarHBondContact OG1-CE2 3.4Å; T634-Y636 PolarHBondContact OG1-OH 2.03Å; T634-W645 VanDerWaalsContact C-CE3 3.41Å; T634-W645 CarbonylContact O-C 3.59Å; T634-W645 WeakPolarHBondContact O-CA 3.3Å; T634-S646 PolarHBondContact N-OG 2.81Å; T634-S646 PolarHBondContact O-N 3.2Å |
| 635 | C | 93.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 116.6 | 177.3 | 179.7 | 0 | 0 | 0 | 0 | 110.4 | C593 G614 S615 W645 | C593-C635 HydrophobicContact CB-CB 3.88Å; C593-C635 WeakPolarHBondContact CB-SG 3.16Å; C593-C635 VanDerWaalsContact SG-CA 3.51Å; C593-C635 WeakPolarHBondContact SG-CB 3.32Å; C593-C635 CovalentContact SG-SG 2.04Å; C593-C635 PolarHBondContact SG-SG 3.13Å; G614-C635 PolarHBondContact N-O 2.81Å; S615-C635 PolarHBondContact O-N 2.9Å; C635-W645 HydrophobicContact CB-CE3 4.04Å; C635-W645 HydrophobicContact CB-CH2 3.92Å; C635-W645 HydrophobicContact CB-CZ2 4.46Å; C635-W645 HydrophobicContact CB-CZ3 3.7Å |
| 636 | Y | 89.6 | Confident | 86.4 | Confident | 140 Ų | 140 | 63.1 Ų | 63.1 | 55% | 0.549 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 141.2 | 177.6 | -68.8 | -70 | 0 | 0 | 0 | 111.9 | T634 P643 K644 | T634-Y636 WeakPolarHBondContact OG1-CE2 3.4Å; T634-Y636 PolarHBondContact OG1-OH 2.03Å; Y636-P643 CarbonylContact O-C 3.56Å; Y636-P643 VanDerWaalsContact O-CA 3.28Å; Y636-P643 WeakPolarHBondContact O-CA 3.3Å; Y636-P643 WeakPolarHBondContact O-CB 3.16Å; Y636-K644 PolarHBondContact N-O 2.95Å; Y636-K644 PolarHBondContact O-N 2.91Å |
| 637 | S | 85.8 | Confident | 86.7 | Confident | 57 Ų | 57 | 65.2 Ų | 65.2 | 40% | 0.399 | 36% | 0.361 | S | S | . | . | trans | -64.1 | 155.3 | 166 | -175.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 638 | R | 81.4 | Confident | 86.7 | Confident | 120 Ų | 120 | 71.3 Ų | 71.3 | 45% | 0.453 | 38% | 0.38 | S | S | . | . | trans | -129.8 | 140.6 | 164.2 | -160.7 | 172.6 | 85 | -148.5 | 12.8 | 108.7 | T640 | R638-T640 VanDerWaalsContact C-N 3.31Å; R638-T640 VanDerWaalsContact CZ-O 3.25Å; R638-T640 PolarHBondContact NE-O 2.84Å; R638-T640 PolarHBondContact NH2-O 3.24Å; R638-T640 PolarHBondContact O-N 2.98Å | ||
| 639 | D | 69.5 | Low | 86.8 | Confident | 146 Ų | 146 | 69.1 Ų | 69.1 | 78% | 0.781 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -35.5 | -177.9 | -51.4 | -60.2 | 0 | 0 | 0 | 111.5 | ||
| 640 | T | 65.6 | Low | 87 | Confident | 115 Ų | 115 | 66.2 Ų | 66.2 | 71% | 0.706 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.6 | 64.6 | -177.3 | 50.7 | 0 | 0 | 0 | 0 | 112.1 | R638 | R638-T640 VanDerWaalsContact C-N 3.31Å; R638-T640 VanDerWaalsContact CZ-O 3.25Å; R638-T640 PolarHBondContact NE-O 2.84Å; R638-T640 PolarHBondContact NH2-O 3.24Å; R638-T640 PolarHBondContact O-N 2.98Å |
| 641 | G | 76.8 | Confident | 87.1 | Confident | 5 Ų | 5 | 72.1 Ų | 72.1 | 5% | 0.052 | 36% | 0.364 | C | S | . | . | S | Bend | trans | 148 | -170.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | P562 | P562-G641 WeakPolarHBondContact O-CA 3.36Š|
| 642 | T | 84.3 | Confident | 87.1 | Confident | 68 Ų | 68 | 70.4 Ų | 70.4 | 42% | 0.417 | 35% | 0.349 | S | S | . | . | trans | -65.8 | 146.1 | 176.9 | 43.2 | 0 | 0 | 0 | 0 | 112.6 | I590 | I590-T642 HydrophobicContact CD1-CG2 3.75Š| ||
| 643 | P | 88.2 | Confident | 86.7 | Confident | 12 Ų | 12 | 68.6 Ų | 68.6 | 8% | 0.078 | 34% | 0.344 | C | S | . | . | trans | -55.5 | 150.1 | 168.3 | -25.1 | 35.3 | 0 | 0 | 0 | 112.3 | I590 V613 Y636 | I590-P643 VanDerWaalsContact O-CD 3.24Å; I590-P643 WeakPolarHBondContact O-CD 3.35Å; I590-P643 WeakPolarHBondContact O-CG 3.44Å; V613-P643 HydrophobicContact CG2-CB 3.97Å; V613-P643 HydrophobicContact CG2-CG 3.98Å; Y636-P643 CarbonylContact O-C 3.56Å; Y636-P643 VanDerWaalsContact O-CA 3.28Å; Y636-P643 WeakPolarHBondContact O-CA 3.3Å; Y636-P643 WeakPolarHBondContact O-CB 3.16Å | ||
| 644 | K | 90.3 | Very high | 86 | Confident | 138 Ų | 138 | 71.9 Ų | 71.9 | 60% | 0.6 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 143.4 | -174 | -163.8 | -154.4 | 166.7 | -148.7 | 0 | 111.8 | C593 Y636 | C593-K644 VanDerWaalsContact SG-C 3.52Å; C593-K644 PolarHBondContact SG-N 3.47Å; Y636-K644 PolarHBondContact N-O 2.95Å; Y636-K644 PolarHBondContact O-N 2.91Å |
| 645 | W | 91.9 | Very high | 84.9 | Confident | 26 Ų | 26 | 76.9 Ų | 76.9 | 10% | 0.098 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 144.9 | 165.7 | -62.4 | 108.8 | 0 | 0 | 0 | 112.4 | C593 A594 P596 F611 V617 L633 T634 C635 D647 | C593-W645 HydrophobicContact CB-CD2 4.18Å; C593-W645 HydrophobicContact CB-CH2 4.39Å; C593-W645 HydrophobicContact CB-CZ2 3.63Å; A594-W645 PolarHBondContact O-NE1 2.78Å; P596-W645 HydrophobicContact CG-CD2 4.45Å; P596-W645 HydrophobicContact CG-CZ2 3.86Å; F611-W645 HydrophobicContact CB-CH2 3.99Å; F611-W645 HydrophobicContact CB-CZ2 3.78Å; F611-W645 AromaticContact CD1-CH2 3.73Å; F611-W645 HydrophobicContact CD1-CH2 3.73Å; F611-W645 AromaticContact CD1-CZ2 3.79Å; F611-W645 HydrophobicContact CD1-CZ2 3.79Å; F611-W645 HydrophobicContact CG-CH2 4.12Å; F611-W645 AromaticContact CG-CZ2 3.84Å; F611-W645 HydrophobicContact CG-CZ2 3.84Å; V617-W645 HydrophobicContact CG2-CH2 3.68Å; V617-W645 HydrophobicContact CG2-CZ2 4.36Å; V617-W645 HydrophobicContact CG2-CZ3 4.01Å; L633-W645 HydrophobicContact CB-CD2 4.34Å; L633-W645 HydrophobicContact CB-CE3 3.73Å; L633-W645 HydrophobicContact CB-CZ3 4.37Å; T634-W645 VanDerWaalsContact C-CE3 3.41Å; T634-W645 CarbonylContact O-C 3.59Å; T634-W645 WeakPolarHBondContact O-CA 3.3Å; C635-W645 HydrophobicContact CB-CE3 4.04Å; C635-W645 HydrophobicContact CB-CH2 3.92Å; C635-W645 HydrophobicContact CB-CZ2 4.46Å; C635-W645 HydrophobicContact CB-CZ3 3.7Å; W645-D647 VanDerWaalsContact C-N 3.31Å; W645-D647 PolarHBondContact O-N 2.96Å |
| 646 | S | 91 | Very high | 83.9 | Confident | 40 Ų | 40 | 80.8 Ų | 80.8 | 28% | 0.28 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -49.8 | -48.8 | 174.5 | 59.5 | 0 | 0 | 0 | 0 | 112.8 | T634 | T634-S646 PolarHBondContact N-OG 2.81Å; T634-S646 PolarHBondContact O-N 3.2Å |
| 647 | D | 90 | Very high | 83.3 | Confident | 96 Ų | 96 | 79.7 Ų | 79.7 | 51% | 0.513 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -135.5 | 174.6 | -168.7 | -90.8 | -66.3 | 0 | 0 | 0 | 112.6 | A630 L633 W645 | A630-D647 HydrophobicContact CB-CB 3.89Å; L633-D647 HydrophobicContact CD2-CB 3.56Å; W645-D647 VanDerWaalsContact C-N 3.31Å; W645-D647 PolarHBondContact O-N 2.96Å |
| 648 | R | 89.9 | Confident | 83 | Confident | 180 Ų | 180 | 79.2 Ų | 79.2 | 68% | 0.679 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -77.1 | 153.3 | 169.4 | -62.9 | -175.8 | -177.9 | -178 | 2.6 | 110.6 | E778 | R648-E778 IonicContact NH1-OE1 2.63Å; R648-E778 PolarHBondContact NH1-OE1 3.2Å |
| 649 | V | 91.1 | Very high | 83.2 | Confident | 62 Ų | 62 | 73.8 Ų | 73.8 | 38% | 0.376 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 128.6 | 176.3 | -167.5 | 0 | 0 | 0 | 0 | 110.6 | P596 I599 | P596-V649 HydrophobicContact CB-CG2 4.27Å; P596-V649 WeakPolarHBondContact O-CG2 3.29Å; I599-V649 HydrophobicContact CG2-CG1 3.58Å |
| 650 | P | 91.9 | Very high | 83.9 | Confident | 5 Ų | 5 | 72.5 Ų | 72.5 | 3% | 0.032 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 169.7 | -178.2 | 31.5 | -37.4 | 0 | 0 | 0 | 112.7 | I599 Y619 L627 E628 A630 | I599-P650 VanDerWaalsContact CG2-O 3.26Å; I599-P650 WeakPolarHBondContact CG2-O 3.35Å; Y619-P650 HydrophobicContact CD1-CG 4.4Å; Y619-P650 HydrophobicContact CD2-CG 3.71Å; Y619-P650 HydrophobicContact CE2-CG 4.43Å; Y619-P650 HydrophobicContact CG-CG 3.68Å; L627-P650 HydrophobicContact CD1-CB 4.31Å; L627-P650 HydrophobicContact CD1-CG 4.3Å; L627-P650 HydrophobicContact CD2-CB 3.72Å; L627-P650 HydrophobicContact CD2-CG 4.42Å; L627-P650 HydrophobicContact CG-CB 4Å; E628-P650 CarbonylContact O-C 3.45Å; E628-P650 VanDerWaalsContact O-CA 3.3Å; E628-P650 WeakPolarHBondContact O-CA 3.5Å; E628-P650 VanDerWaalsContact O-CB 3.3Å; E628-P650 WeakPolarHBondContact O-CB 3.47Å; A630-P650 WeakPolarHBondContact O-CG 3.27Å |
| 651 | K | 90.9 | Very high | 84.9 | Confident | 150 Ų | 150 | 68.7 Ų | 68.7 | 65% | 0.652 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 155.4 | 176.7 | -64 | 176.4 | -176 | 172.6 | 0 | 111.1 | L627 E628 | L627-K651 CarbonylContact C-O 3.55Å; L627-K651 WeakPolarHBondContact CA-O 3.45Å; E628-K651 PolarHBondContact N-O 3.14Å; E628-K651 PolarHBondContact O-N 2.84Å |
| 652 | C | 90.3 | Very high | 85.3 | Confident | 16 Ų | 16 | 70.4 Ų | 70.4 | 11% | 0.108 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 105.3 | 173.2 | -69.3 | 0 | 0 | 0 | 0 | 110.1 | I599 A600 N601 C621 Y625 S626 | I599-C652 VanDerWaalsContact CD1-SG 3.57Å; A600-C652 WeakPolarHBondContact O-CB 3.41Å; N601-C652 HydrophobicContact CB-CB 4.14Å; C621-C652 WeakPolarHBondContact CA-SG 3.46Å; C621-C652 HydrophobicContact CB-CB 3.83Å; C621-C652 WeakPolarHBondContact CB-SG 3.33Å; C621-C652 VanDerWaalsContact SG-CA 3.51Å; C621-C652 WeakPolarHBondContact SG-CB 3.39Å; C621-C652 CovalentContact SG-SG 2.03Å; C621-C652 PolarHBondContact SG-SG 3.1Å; Y625-C652 HydrophobicContact CD1-CB 4.37Å; S626-C652 WeakPolarHBondContact O-CA 3.39Å |
| 653 | A | 84.4 | Confident | 85.2 | Confident | 26 Ų | 26 | 68.7 Ų | 68.7 | 22% | 0.215 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 149.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y625 S626 E628 | Y625-A653 CarbonylContact C-O 3.51Å; Y625-A653 WeakPolarHBondContact CA-O 3.32Å; S626-A653 PolarHBondContact N-O 2.96Å; S626-A653 PolarHBondContact O-N 3.43Å; E628-A653 VanDerWaalsContact CD-CB 3.43Å; E628-A653 HydrophobicContact CG-CB 4.13Å; E628-A653 WeakPolarHBondContact OE1-CB 3.32Å |
| 654 | L | 78.3 | Confident | 85 | Confident | 70 Ų | 70 | 72.1 Ų | 72.1 | 37% | 0.366 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 130.9 | 176.3 | -83.3 | 168.4 | 0 | 0 | 0 | 111 | Y625 Y656 | Y625-L654 HydrophobicContact CD1-CD2 4Å; Y625-L654 HydrophobicContact CD1-CG 4.07Å; Y625-L654 HydrophobicContact CD2-CD2 4.42Å; Y625-L654 HydrophobicContact CE1-CD2 3.49Å; Y625-L654 VanDerWaalsContact CE1-CD2 3.49Å; Y625-L654 HydrophobicContact CE1-CG 3.55Å; Y625-L654 HydrophobicContact CE2-CD2 3.96Å; Y625-L654 HydrophobicContact CG-CD2 4.43Å; Y625-L654 VanDerWaalsContact CZ-CD2 3.46Å; L654-Y656 HydrophobicContact CB-CE1 4.4Å; L654-Y656 HydrophobicContact CB-CE2 4.26Å |
| 655 | K | 69.1 | Low | 84.7 | Confident | 142 Ų | 142 | 66.2 Ų | 66.2 | 62% | 0.617 | 34% | 0.341 | S | S | * | . | trans | -98.1 | 103.3 | 174.8 | -172.2 | 174.7 | -179.6 | 178.3 | 0 | 110.4 | G624 | G624-K655 PolarHBondContact O-N 3.44Š| ||
| 656 | Y | 72.6 | Confident | 84.1 | Confident | 82 Ų | 82 | 72.8 Ų | 72.8 | 32% | 0.322 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -73.8 | 147.3 | 174.6 | -57.5 | -70.8 | 0 | 0 | 0 | 111.9 | L654 A679 P703 | L654-Y656 HydrophobicContact CB-CE1 4.4Å; L654-Y656 HydrophobicContact CB-CE2 4.26Å; Y656-A679 HydrophobicContact CD2-CB 4.05Å; Y656-A679 HydrophobicContact CG-CB 4.06Å; Y656-P703 HydrophobicContact CD1-CB 3.73Å; Y656-P703 HydrophobicContact CD2-CB 4.04Å; Y656-P703 HydrophobicContact CE1-CB 3.53Å; Y656-P703 HydrophobicContact CE2-CB 3.86Å; Y656-P703 HydrophobicContact CG-CB 3.99Å |
| 657 | E | 76.3 | Confident | 83.6 | Confident | 118 Ų | 118 | 74.5 Ų | 74.5 | 55% | 0.551 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -80.7 | 137.5 | 167.4 | -65.5 | -175.4 | 150.7 | 0 | 0 | 109.3 | S707 | E657-S707 WeakPolarHBondContact O-CB 3.39Å; E657-S707 PolarHBondContact O-OG 2.63Å |
| 658 | P | 80.3 | Confident | 83.3 | Confident | 47 Ų | 47 | 70.3 Ų | 70.3 | 31% | 0.305 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -77.4 | 144.5 | -174.4 | 31.7 | -36 | 0 | 0 | 0 | 112.3 | L660 H676 Y677 | P658-L660 PolarHBondContact O-N 3.36Å; P658-H676 HydrophobicContact CB-CB 4.04Å; P658-H676 HydrophobicContact CG-CB 4.01Å; P658-Y677 CarbonylContact C-O 3.59Å; P658-Y677 WeakPolarHBondContact CA-O 3.03Å; P658-Y677 WeakPolarHBondContact CB-O 3.45Å |
| 659 | C | 83.8 | Confident | 83.2 | Confident | 5 Ų | 5 | 66.6 Ų | 66.6 | 3% | 0.034 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 131.4 | 174.9 | -59.1 | 0 | 0 | 0 | 0 | 111 | H676 Y677 C701 S707 W709 | C659-H676 CarbonylContact O-C 3.59Å; C659-H676 WeakPolarHBondContact O-CA 3.43Å; C659-Y677 PolarHBondContact N-O 2.94Å; C659-Y677 PolarHBondContact O-N 3.43Å; C659-C701 HydrophobicContact CB-CB 3.81Å; C659-C701 WeakPolarHBondContact CB-SG 3.46Å; C659-C701 VanDerWaalsContact SG-CA 3.52Å; C659-C701 WeakPolarHBondContact SG-CB 3.03Å; C659-C701 CovalentContact SG-SG 2.03Å; C659-C701 PolarHBondContact SG-SG 3.26Å; C659-S707 VanDerWaalsContact SG-C 3.54Å; C659-S707 VanDerWaalsContact SG-CB 3.57Å; C659-W709 HydrophobicContact CB-CD2 4.31Å; C659-W709 HydrophobicContact CB-CZ2 3.77Å |
| 660 | L | 85.7 | Confident | 83.1 | Confident | 119 Ų | 119 | 65 Ų | 65 | 62% | 0.623 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 151.3 | 168 | -75.8 | 164.6 | 0 | 0 | 0 | 110.9 | P658 H676 W709 | P658-L660 PolarHBondContact O-N 3.36Å; L660-H676 WeakPolarHBondContact CD2-NE2 3.2Å; L660-W709 PolarHBondContact O-NE1 3Å |
| 661 | N | 85.6 | Confident | 82.8 | Confident | 35 Ų | 35 | 68.4 Ų | 68.4 | 19% | 0.187 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 124 | 173.6 | -166.5 | -62 | 0 | 0 | 0 | 110.7 | G663 K674 H675 Y677 | N661-G663 VanDerWaalsContact C-N 3.26Å; N661-G663 PolarHBondContact O-N 3.15Å; N661-G663 PolarHBondContact OD1-N 2.82Å; N661-K674 WeakPolarHBondContact CB-O 3.1Å; N661-K674 PolarHBondContact ND2-O 2.96Å; N661-H675 PolarHBondContact N-O 3.4Å; N661-Y677 HydrophobicContact CB-CE2 4.29Å |
| 662 | P | 84.8 | Confident | 82.4 | Confident | 42 Ų | 42 | 65.9 Ų | 65.9 | 27% | 0.273 | 35% | 0.347 | S | S | . | . | trans | -82.5 | -0.5 | -174.7 | 32.3 | -31.8 | 0 | 0 | 0 | 113.8 | L683 F685 I699 W709 P713 | P662-L683 HydrophobicContact CG-CD2 4.11Å; P662-F685 HydrophobicContact CG-CZ 4.42Å; P662-I699 HydrophobicContact CG-CD1 3.71Å; P662-W709 HydrophobicContact CG-CD2 4.28Å; P662-W709 HydrophobicContact CG-CG 4.4Å; P662-W709 HydrophobicContact CG-CZ2 4.28Å; P662-P713 HydrophobicContact CB-CG 3.94Å; P662-P713 HydrophobicContact CG-CG 4.35Å | ||
| 663 | G | 81.9 | Confident | 82.1 | Confident | 31 Ų | 31 | 72 Ų | 72 | 32% | 0.32 | 37% | 0.369 | S | S | . | . | trans | 91.7 | 167.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | N661 F685 | N661-G663 VanDerWaalsContact C-N 3.26Å; N661-G663 PolarHBondContact O-N 3.15Å; N661-G663 PolarHBondContact OD1-N 2.82Å; G663-F685 WeakPolarHBondContact O-CE1 3.35Å | ||
| 664 | V | 84.7 | Confident | 82.1 | Confident | 84 Ų | 84 | 74.1 Ų | 74.1 | 51% | 0.509 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -99.8 | 142.3 | 174.6 | -68.1 | 0 | 0 | 0 | 0 | 110.6 | Q670 | V664-Q670 HydrophobicContact CG1-CB 3.99Å; V664-Q670 VanDerWaalsContact CG1-CD 3.47Å; V664-Q670 HydrophobicContact CG1-CG 3.61Å |
| 665 | P | 83.5 | Confident | 82.3 | Confident | 14 Ų | 14 | 76.7 Ų | 76.7 | 9% | 0.091 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -75 | 153.1 | 177.9 | 31.2 | -35.1 | 0 | 0 | 0 | 112.4 | N667 G668 F685 P714 | P665-N667 PolarHBondContact O-N 3Å; P665-G668 PolarHBondContact O-N 3.31Å; P665-G668 VanDerWaalsContact O-N 3.08Å; P665-F685 HydrophobicContact CG-CD1 4.31Å; P665-P714 WeakPolarHBondContact CB-O 3.44Å; P665-P714 WeakPolarHBondContact CG-O 3.45Å |
| 666 | E | 80 | Confident | 83.1 | Confident | 165 Ų | 165 | 74.8 Ų | 74.8 | 77% | 0.771 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | 132.3 | 176.1 | -165.2 | 174.7 | -166.8 | 0 | 0 | 110.5 | G668 | E666-G668 VanDerWaalsContact C-N 3.29Å; E666-G668 PolarHBondContact O-N 3.08Å |
| 667 | N | 80.5 | Confident | 83.7 | Confident | 76 Ų | 76 | 71 Ų | 71 | 41% | 0.406 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 28.8 | -170.3 | -52.3 | -62.8 | 0 | 0 | 0 | 115.3 | P665 Y688 F691 C716 | P665-N667 PolarHBondContact O-N 3Å; N667-Y688 WeakPolarHBondContact O-CD2 3.49Å; N667-Y688 PolarHBondContact O-N 3.33Å; N667-F691 HydrophobicContact CB-CD1 4.15Å; N667-F691 HydrophobicContact CB-CD2 4.34Å; N667-F691 HydrophobicContact CB-CE1 3.9Å; N667-F691 HydrophobicContact CB-CE2 4.11Å; N667-F691 HydrophobicContact CB-CG 4.37Å; N667-F691 HydrophobicContact CB-CZ 3.88Å; N667-C716 HydrophobicContact CB-CB 4.4Å |
| 668 | G | 84.2 | Confident | 84.1 | Confident | 8 Ų | 8 | 70.5 Ų | 70.5 | 8% | 0.082 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | -173.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | P665 E666 F686 Y688 | P665-G668 PolarHBondContact O-N 3.31Å; P665-G668 VanDerWaalsContact O-N 3.08Å; E666-G668 VanDerWaalsContact C-N 3.29Å; E666-G668 PolarHBondContact O-N 3.08Å; G668-F686 CarbonylContact C-O 3.54Å; G668-F686 WeakPolarHBondContact CA-O 3.32Å; G668-Y688 WeakPolarHBondContact O-CE2 3.06Å; G668-Y688 PolarHBondContact O-OH 2.93Å |
| 669 | Y | 86.8 | Confident | 84 | Confident | 102 Ų | 102 | 69.8 Ų | 69.8 | 40% | 0.4 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 168.8 | 175.3 | 66.5 | -85 | 0 | 0 | 0 | 111.4 | F685 F686 Y688 | Y669-F685 CarbonylContact O-C 3.39Å; Y669-F685 WeakPolarHBondContact O-CA 3.36Å; Y669-F686 HydrophobicContact CD1-CB 4.07Å; Y669-F686 HydrophobicContact CD2-CB 4.43Å; Y669-F686 HydrophobicContact CD2-CD2 4.21Å; Y669-F686 HydrophobicContact CE1-CB 3.56Å; Y669-F686 HydrophobicContact CE1-CG 4.45Å; Y669-F686 HydrophobicContact CE2-CB 3.96Å; Y669-F686 AromaticContact CE2-CD2 3.53Å; Y669-F686 HydrophobicContact CE2-CD2 3.53Å; Y669-F686 HydrophobicContact CE2-CE2 4.39Å; Y669-F686 HydrophobicContact CE2-CG 4.11Å; Y669-F686 HydrophobicContact CG-CB 4.48Å; Y669-F686 VanDerWaalsContact CZ-CB 3.49Å; Y669-F686 AromaticContact CZ-CD2 3.8Å; Y669-F686 AromaticContact CZ-CG 3.89Å; Y669-F686 PolarHBondContact N-O 3.42Å; Y669-F686 PolarHBondContact O-N 2.92Å; Y669-Y688 HydrophobicContact CD1-CD1 4.15Å; Y669-Y688 AromaticContact CD1-CE1 3.61Å; Y669-Y688 HydrophobicContact CD1-CE1 3.61Å; Y669-Y688 AromaticContact CD1-CZ 3.96Å; Y669-Y688 HydrophobicContact CE1-CD1 4.38Å; Y669-Y688 HydrophobicContact CE1-CE1 4.15Å |
| 670 | Q | 89 | Confident | 83.9 | Confident | 29 Ų | 29 | 72.4 Ų | 72.4 | 14% | 0.136 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 156.4 | 179.4 | 67.9 | -172.6 | -8 | 0 | 0 | 111.8 | V664 L672 L683 R684 F685 | V664-Q670 HydrophobicContact CG1-CB 3.99Å; V664-Q670 VanDerWaalsContact CG1-CD 3.47Å; V664-Q670 HydrophobicContact CG1-CG 3.61Å; Q670-L672 VanDerWaalsContact CD-O 3.24Å; Q670-L672 WeakPolarHBondContact CG-O 3.37Å; Q670-L672 PolarHBondContact NE2-O 3Å; Q670-L672 PolarHBondContact O-N 3.46Å; Q670-L683 HydrophobicContact CB-CD1 4.08Å; Q670-L683 HydrophobicContact CG-CD1 4.43Å; Q670-R684 CarbonylContact C-O 3.6Å; Q670-R684 VanDerWaalsContact CA-O 3.32Å; Q670-R684 WeakPolarHBondContact CA-O 3.35Å; Q670-F685 HydrophobicContact CB-CD1 3.72Å; Q670-F685 HydrophobicContact CB-CE1 3.75Å |
| 671 | T | 86.1 | Confident | 83.9 | Confident | 76 Ų | 76 | 69.7 Ų | 69.7 | 47% | 0.466 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -65.4 | -33.3 | -178.4 | 43.1 | 0 | 0 | 0 | 0 | 115 | R684 F686 | T671-R684 HydrophobicContact CG2-CB 3.72Å; T671-R684 HydrophobicContact CG2-CG 4.01Å; T671-R684 PolarHBondContact N-O 3.45Å; T671-R684 PolarHBondContact OG1-N 3.02Å; T671-R684 PolarHBondContact OG1-O 3.21Å; T671-F686 HydrophobicContact CG2-CD2 4.49Å; T671-F686 HydrophobicContact CG2-CE2 3.67Å; T671-F686 HydrophobicContact CG2-CZ 4.48Å |
| 672 | L | 83.3 | Confident | 84.1 | Confident | 96 Ų | 96 | 71.5 Ų | 71.5 | 50% | 0.503 | 38% | 0.384 | S | S | . | . | trans | -148.3 | 149.5 | -174.2 | -169.9 | 64.7 | 0 | 0 | 0 | 109.9 | Q670 K674 Y677 | Q670-L672 VanDerWaalsContact CD-O 3.24Å; Q670-L672 WeakPolarHBondContact CG-O 3.37Å; Q670-L672 PolarHBondContact NE2-O 3Å; Q670-L672 PolarHBondContact O-N 3.46Å; L672-K674 HydrophobicContact CD2-CG 4.18Å; L672-K674 HydrophobicContact CG-CG 4.46Å; L672-Y677 PolarHBondContact O-OH 3.4Å | ||
| 673 | Y | 84.5 | Confident | 84.2 | Confident | 146 Ų | 146 | 69.6 Ų | 69.6 | 57% | 0.573 | 37% | 0.372 | S | S | * | . | trans | -112.2 | 111 | 168.9 | -173.9 | -83.2 | 0 | 0 | 0 | 110 | H675 | Y673-H675 AromaticContact CE1-CE1 3.73Å; Y673-H675 AromaticContact CE1-ND1 3.94Å; Y673-H675 AromaticContact CE1-NE2 3.86Å; Y673-H675 AromaticContact CZ-CE1 3.87Å; Y673-H675 AromaticContact CZ-ND1 3.98Å; Y673-H675 PolarHBondContact OH-CE1 3.38Å; Y673-H675 PolarHBondContact OH-ND1 3.46Å | ||
| 674 | K | 83.8 | Confident | 84.6 | Confident | 69 Ų | 69 | 73.8 Ų | 73.8 | 30% | 0.3 | 38% | 0.378 | S | S | . | . | trans | -116.7 | 153.1 | 156 | -51 | -172.6 | -171 | -176.8 | 0 | 109 | N661 L672 H676 Y677 E681 | N661-K674 WeakPolarHBondContact CB-O 3.1Å; N661-K674 PolarHBondContact ND2-O 2.96Å; L672-K674 HydrophobicContact CD2-CG 4.18Å; L672-K674 HydrophobicContact CG-CG 4.46Å; K674-H676 VanDerWaalsContact CB-O 3.27Å; K674-H676 WeakPolarHBondContact CB-O 3.42Å; K674-H676 WeakPolarHBondContact CD-O 3.17Å; K674-Y677 HydrophobicContact CB-CD1 4.32Å; K674-Y677 HydrophobicContact CB-CD2 4.33Å; K674-Y677 HydrophobicContact CB-CE1 3.91Å; K674-Y677 HydrophobicContact CB-CE2 3.96Å; K674-Y677 HydrophobicContact CD-CD1 3.81Å; K674-Y677 HydrophobicContact CD-CE1 3.8Å; K674-Y677 HydrophobicContact CD-CG 4.47Å; K674-Y677 HydrophobicContact CG-CD1 4.22Å; K674-Y677 HydrophobicContact CG-CE1 3.71Å; K674-Y677 PolarHBondContact N-OH 2.9Å; K674-Y677 VanDerWaalsContact N-OH 3.11Å; K674-Y677 WeakPolarHBondContact O-CE2 3.46Å; K674-E681 IonicContact NZ-OE1 3.2Å; K674-E681 PolarHBondContact NZ-OE1 3.25Å; K674-E681 IonicContact NZ-OE2 3.29Å; K674-E681 PolarHBondContact NZ-OE2 3.46Å | ||
| 675 | H | 81.9 | Confident | 84.8 | Confident | 124 Ų | 124 | 69.8 Ų | 69.8 | 57% | 0.574 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -70.9 | -33.7 | 167.5 | -71.8 | -71.1 | 0 | 0 | 0 | 112.3 | N661 Y673 | N661-H675 PolarHBondContact N-O 3.4Å; Y673-H675 AromaticContact CE1-CE1 3.73Å; Y673-H675 AromaticContact CE1-ND1 3.94Å; Y673-H675 AromaticContact CE1-NE2 3.86Å; Y673-H675 AromaticContact CZ-CE1 3.87Å; Y673-H675 AromaticContact CZ-ND1 3.98Å; Y673-H675 PolarHBondContact OH-CE1 3.38Å; Y673-H675 PolarHBondContact OH-ND1 3.46Å |
| 676 | H | 86.4 | Confident | 85 | Confident | 102 Ų | 102 | 72.7 Ų | 72.7 | 47% | 0.472 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 140.9 | -176.7 | -59.6 | 99.6 | 0 | 0 | 0 | 109.6 | P658 C659 L660 K674 | P658-H676 HydrophobicContact CB-CB 4.04Å; P658-H676 HydrophobicContact CG-CB 4.01Å; C659-H676 CarbonylContact O-C 3.59Å; C659-H676 WeakPolarHBondContact O-CA 3.43Å; L660-H676 WeakPolarHBondContact CD2-NE2 3.2Å; K674-H676 VanDerWaalsContact CB-O 3.27Å; K674-H676 WeakPolarHBondContact CB-O 3.42Å; K674-H676 WeakPolarHBondContact CD-O 3.17Å |
| 677 | Y | 85.3 | Confident | 85.4 | Confident | 3 Ų | 3 | 66 Ų | 66 | 1% | 0.012 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 136 | 178.1 | -68.9 | -90.2 | 0 | 0 | 0 | 110.2 | P658 C659 N661 L672 K674 E681 L683 W709 | P658-Y677 CarbonylContact C-O 3.59Å; P658-Y677 WeakPolarHBondContact CA-O 3.03Å; P658-Y677 WeakPolarHBondContact CB-O 3.45Å; C659-Y677 PolarHBondContact N-O 2.94Å; C659-Y677 PolarHBondContact O-N 3.43Å; N661-Y677 HydrophobicContact CB-CE2 4.29Å; L672-Y677 PolarHBondContact O-OH 3.4Å; K674-Y677 HydrophobicContact CB-CD1 4.32Å; K674-Y677 HydrophobicContact CB-CD2 4.33Å; K674-Y677 HydrophobicContact CB-CE1 3.91Å; K674-Y677 HydrophobicContact CB-CE2 3.96Å; K674-Y677 HydrophobicContact CD-CD1 3.81Å; K674-Y677 HydrophobicContact CD-CE1 3.8Å; K674-Y677 HydrophobicContact CD-CG 4.47Å; K674-Y677 HydrophobicContact CG-CD1 4.22Å; K674-Y677 HydrophobicContact CG-CE1 3.71Å; K674-Y677 PolarHBondContact N-OH 2.9Å; K674-Y677 VanDerWaalsContact N-OH 3.11Å; K674-Y677 WeakPolarHBondContact O-CE2 3.46Å; Y677-E681 WeakPolarHBondContact CA-OE2 3.48Å; Y677-E681 HydrophobicContact CD1-CB 4.35Å; Y677-L683 HydrophobicContact CE1-CD1 4.43Å; Y677-L683 HydrophobicContact CE2-CD2 4.14Å; Y677-W709 HydrophobicContact CD1-CH2 4.24Å; Y677-W709 AromaticContact CD2-CH2 3.71Å; Y677-W709 HydrophobicContact CD2-CH2 3.71Å; Y677-W709 AromaticContact CD2-CZ2 3.53Å; Y677-W709 HydrophobicContact CD2-CZ2 3.53Å; Y677-W709 HydrophobicContact CE2-CH2 4.34Å; Y677-W709 HydrophobicContact CE2-CZ2 4.22Å; Y677-W709 AromaticContact CG-CH2 3.63Å; Y677-W709 HydrophobicContact CG-CH2 3.63Å; Y677-W709 AromaticContact CG-CZ2 3.87Å; Y677-W709 HydrophobicContact CG-CZ2 3.87Å |
| 678 | Q | 83.3 | Confident | 85.5 | Confident | 108 Ų | 108 | 68.3 Ų | 68.3 | 51% | 0.505 | 34% | 0.34 | S | S | . | . | trans | -74.5 | 156 | 179.3 | -62.2 | -61.7 | -14.9 | 0 | 0 | 111.3 | G680 E681 | Q678-G680 PolarHBondContact O-N 2.84Å; Q678-E681 HydrophobicContact CB-CG 4.11Å; Q678-E681 PolarHBondContact N-OE2 2.84Å; Q678-E681 WeakPolarHBondContact O-CB 3.03Å; Q678-E681 WeakPolarHBondContact O-CG 3.41Å; Q678-E681 PolarHBondContact O-N 2.97Å | ||
| 679 | A | 79.4 | Confident | 85.3 | Confident | 31 Ų | 31 | 77.3 Ų | 77.3 | 26% | 0.256 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 129.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y656 C701 P703 | Y656-A679 HydrophobicContact CD2-CB 4.05Å; Y656-A679 HydrophobicContact CG-CB 4.06Å; A679-C701 CarbonylContact C-O 3.53Å; A679-C701 WeakPolarHBondContact CA-O 3.5Å; A679-P703 HydrophobicContact CB-CB 3.93Å; A679-P703 HydrophobicContact CB-CG 3.96Å |
| 680 | G | 81.5 | Confident | 84.6 | Confident | 60 Ų | 60 | 74.8 Ų | 74.8 | 62% | 0.619 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.9 | -14.9 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115 | Q678 C701 | Q678-G680 PolarHBondContact O-N 2.84Å; G680-C701 PolarHBondContact N-O 3.43Å |
| 681 | E | 85.9 | Confident | 84.1 | Confident | 62 Ų | 62 | 76.4 Ų | 76.4 | 29% | 0.29 | 39% | 0.392 | S | S | . | . | trans | -73.5 | 150 | 176.2 | -63.4 | -159.7 | 113.1 | 0 | 0 | 112.3 | K674 Y677 Q678 T700 C701 | K674-E681 IonicContact NZ-OE1 3.2Å; K674-E681 PolarHBondContact NZ-OE1 3.25Å; K674-E681 IonicContact NZ-OE2 3.29Å; K674-E681 PolarHBondContact NZ-OE2 3.46Å; Y677-E681 WeakPolarHBondContact CA-OE2 3.48Å; Y677-E681 HydrophobicContact CD1-CB 4.35Å; Q678-E681 HydrophobicContact CB-CG 4.11Å; Q678-E681 PolarHBondContact N-OE2 2.84Å; Q678-E681 WeakPolarHBondContact O-CB 3.03Å; Q678-E681 WeakPolarHBondContact O-CG 3.41Å; Q678-E681 PolarHBondContact O-N 2.97Å; E681-T700 WeakPolarHBondContact O-CA 3.32Å; E681-C701 PolarHBondContact O-N 3.45Å | ||
| 682 | S | 88.3 | Confident | 83.8 | Confident | 74 Ų | 74 | 78.5 Ų | 78.5 | 52% | 0.517 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 145.8 | -179.1 | 62.4 | 0 | 0 | 0 | 0 | 112.3 | I699 | S682-I699 CarbonylContact C-O 3.57Å; S682-I699 WeakPolarHBondContact CA-O 3.33Å |
| 683 | L | 88.2 | Confident | 83.8 | Confident | 1 Ų | 1 | 76.2 Ų | 76.2 | 1% | 0.005 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 127.4 | -176.7 | -178.6 | 58.9 | 0 | 0 | 0 | 109.2 | P662 Q670 Y677 F685 T698 I699 W709 | P662-L683 HydrophobicContact CG-CD2 4.11Å; Q670-L683 HydrophobicContact CB-CD1 4.08Å; Q670-L683 HydrophobicContact CG-CD1 4.43Å; Y677-L683 HydrophobicContact CE1-CD1 4.43Å; Y677-L683 HydrophobicContact CE2-CD2 4.14Å; L683-F685 HydrophobicContact CD2-CE1 4.41Å; L683-F685 HydrophobicContact CD2-CE2 4.49Å; L683-F685 HydrophobicContact CD2-CZ 3.83Å; L683-F685 HydrophobicContact CG-CE2 4.32Å; L683-F685 HydrophobicContact CG-CZ 4.02Å; L683-T698 CarbonylContact O-C 3.58Å; L683-T698 WeakPolarHBondContact O-CA 3.49Å; L683-I699 HydrophobicContact CB-CG1 4.2Å; L683-I699 PolarHBondContact N-O 2.75Å; L683-I699 PolarHBondContact O-N 3.04Å; L683-W709 HydrophobicContact CB-CH2 4.05Å; L683-W709 HydrophobicContact CB-CZ3 4.04Å; L683-W709 HydrophobicContact CD2-CH2 4.34Å |
| 684 | R | 89.7 | Confident | 83.6 | Confident | 119 Ų | 119 | 73.3 Ų | 73.3 | 45% | 0.449 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 139.6 | -175.3 | 170.6 | 170.9 | -63.8 | 174.6 | 1.5 | 111 | Q670 T671 F686 V697 T698 | Q670-R684 CarbonylContact C-O 3.6Å; Q670-R684 VanDerWaalsContact CA-O 3.32Å; Q670-R684 WeakPolarHBondContact CA-O 3.35Å; T671-R684 HydrophobicContact CG2-CB 3.72Å; T671-R684 HydrophobicContact CG2-CG 4.01Å; T671-R684 PolarHBondContact N-O 3.45Å; T671-R684 PolarHBondContact OG1-N 3.02Å; T671-R684 PolarHBondContact OG1-O 3.21Å; R684-F686 HydrophobicContact CG-CE1 4.42Å; R684-F686 HydrophobicContact CG-CE2 3.94Å; R684-F686 HydrophobicContact CG-CZ 3.87Å; R684-V697 WeakPolarHBondContact CA-O 3.5Å; R684-V697 WeakPolarHBondContact CG-O 3.47Å; R684-T698 HydrophobicContact CB-CG2 4.27Å; R684-T698 WeakPolarHBondContact CB-OG1 3.2Å; R684-T698 PolarHBondContact NE-OG1 3.29Å; R684-T698 PolarHBondContact NH2-OG1 2.96Å |
| 685 | F | 89.3 | Confident | 83.6 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 156 | 179.3 | -59.7 | -81.2 | 0 | 0 | 0 | 111.8 | P662 G663 P665 Y669 Q670 L683 L693 V697 I699 P713 P714 | P662-F685 HydrophobicContact CG-CZ 4.42Å; G663-F685 WeakPolarHBondContact O-CE1 3.35Å; P665-F685 HydrophobicContact CG-CD1 4.31Å; Y669-F685 CarbonylContact O-C 3.39Å; Y669-F685 WeakPolarHBondContact O-CA 3.36Å; Q670-F685 HydrophobicContact CB-CD1 3.72Å; Q670-F685 HydrophobicContact CB-CE1 3.75Å; L683-F685 HydrophobicContact CD2-CE1 4.41Å; L683-F685 HydrophobicContact CD2-CE2 4.49Å; L683-F685 HydrophobicContact CD2-CZ 3.83Å; L683-F685 HydrophobicContact CG-CE2 4.32Å; L683-F685 HydrophobicContact CG-CZ 4.02Å; F685-L693 HydrophobicContact CB-CD1 4.44Å; F685-L693 WeakPolarHBondContact O-CD1 3.43Å; F685-V697 PolarHBondContact N-O 3.28Å; F685-V697 VanDerWaalsContact N-O 3.08Å; F685-I699 HydrophobicContact CE2-CD1 3.67Å; F685-I699 HydrophobicContact CE2-CG1 3.89Å; F685-I699 HydrophobicContact CE2-CG2 4.46Å; F685-I699 HydrophobicContact CZ-CD1 4.12Å; F685-P713 HydrophobicContact CE2-CB 4.44Å; F685-P713 HydrophobicContact CZ-CB 4.24Å; F685-P713 HydrophobicContact CZ-CG 4.43Å; F685-P714 HydrophobicContact CB-CG 3.71Å; F685-P714 HydrophobicContact CD2-CG 3.89Å; F685-P714 HydrophobicContact CG-CG 4.01Å |
| 686 | F | 88.1 | Confident | 83.8 | Confident | 75 Ų | 75 | 71 Ų | 71 | 33% | 0.329 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 152 | 175.1 | -61.9 | -77.1 | 0 | 0 | 0 | 109.6 | G668 Y669 T671 R684 | G668-F686 CarbonylContact C-O 3.54Å; G668-F686 WeakPolarHBondContact CA-O 3.32Å; Y669-F686 HydrophobicContact CD1-CB 4.07Å; Y669-F686 HydrophobicContact CD2-CB 4.43Å; Y669-F686 HydrophobicContact CD2-CD2 4.21Å; Y669-F686 HydrophobicContact CE1-CB 3.56Å; Y669-F686 HydrophobicContact CE1-CG 4.45Å; Y669-F686 HydrophobicContact CE2-CB 3.96Å; Y669-F686 AromaticContact CE2-CD2 3.53Å; Y669-F686 HydrophobicContact CE2-CD2 3.53Å; Y669-F686 HydrophobicContact CE2-CE2 4.39Å; Y669-F686 HydrophobicContact CE2-CG 4.11Å; Y669-F686 HydrophobicContact CG-CB 4.48Å; Y669-F686 VanDerWaalsContact CZ-CB 3.49Å; Y669-F686 AromaticContact CZ-CD2 3.8Å; Y669-F686 AromaticContact CZ-CG 3.89Å; Y669-F686 PolarHBondContact N-O 3.42Å; Y669-F686 PolarHBondContact O-N 2.92Å; T671-F686 HydrophobicContact CG2-CD2 4.49Å; T671-F686 HydrophobicContact CG2-CE2 3.67Å; T671-F686 HydrophobicContact CG2-CZ 4.48Å; R684-F686 HydrophobicContact CG-CE1 4.42Å; R684-F686 HydrophobicContact CG-CE2 3.94Å; R684-F686 HydrophobicContact CG-CZ 3.87Å |
| 687 | C | 87.4 | Confident | 83.8 | Confident | 25 Ų | 25 | 69.5 Ų | 69.5 | 17% | 0.169 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 156 | 172.3 | -61.2 | 0 | 0 | 0 | 0 | 110.7 | F691 C716 | C687-F691 HydrophobicContact CB-CB 3.98Å; C687-C716 WeakPolarHBondContact CA-SG 3.45Å; C687-C716 HydrophobicContact CB-CB 3.76Å; C687-C716 WeakPolarHBondContact CB-SG 3.21Å; C687-C716 WeakPolarHBondContact SG-CA 3.45Å; C687-C716 WeakPolarHBondContact SG-CB 3.39Å; C687-C716 CovalentContact SG-SG 2.03Å; C687-C716 PolarHBondContact SG-SG 2.86Å |
| 688 | Y | 83.6 | Confident | 84 | Confident | 125 Ų | 125 | 70.7 Ų | 70.7 | 49% | 0.49 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -74.1 | 163.9 | 169.2 | -60.2 | -64.1 | 0 | 0 | 0 | 111.5 | N667 G668 Y669 F691 | N667-Y688 WeakPolarHBondContact O-CD2 3.49Å; N667-Y688 PolarHBondContact O-N 3.33Å; G668-Y688 WeakPolarHBondContact O-CE2 3.06Å; G668-Y688 PolarHBondContact O-OH 2.93Å; Y669-Y688 HydrophobicContact CD1-CD1 4.15Å; Y669-Y688 AromaticContact CD1-CE1 3.61Å; Y669-Y688 HydrophobicContact CD1-CE1 3.61Å; Y669-Y688 AromaticContact CD1-CZ 3.96Å; Y669-Y688 HydrophobicContact CE1-CD1 4.38Å; Y669-Y688 HydrophobicContact CE1-CE1 4.15Å; Y688-F691 PolarHBondContact O-N 2.85Å |
| 689 | E | 79.2 | Confident | 84.2 | Confident | 196 Ų | 196 | 65.5 Ų | 65.5 | 92% | 0.916 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 140.1 | -176.2 | -61.9 | -172.3 | 153 | 0 | 0 | 112.6 | ||
| 690 | G | 72.3 | Confident | 84.7 | Confident | 50 Ų | 50 | 66.3 Ų | 66.3 | 52% | 0.515 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.1 | -3.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 691 | F | 79.3 | Confident | 85 | Confident | 63 Ų | 63 | 63.5 Ų | 63.5 | 28% | 0.276 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 135.1 | 176.1 | -60.5 | -102.9 | 0 | 0 | 0 | 111.9 | N667 C687 Y688 C716 K717 V718 | N667-F691 HydrophobicContact CB-CD1 4.15Å; N667-F691 HydrophobicContact CB-CD2 4.34Å; N667-F691 HydrophobicContact CB-CE1 3.9Å; N667-F691 HydrophobicContact CB-CE2 4.11Å; N667-F691 HydrophobicContact CB-CG 4.37Å; N667-F691 HydrophobicContact CB-CZ 3.88Å; C687-F691 HydrophobicContact CB-CB 3.98Å; Y688-F691 PolarHBondContact O-N 2.85Å; F691-C716 HydrophobicContact CB-CB 3.96Å; F691-C716 HydrophobicContact CD1-CB 4.27Å; F691-C716 HydrophobicContact CG-CB 4.38Å; F691-K717 CarbonylContact C-O 3.55Å; F691-K717 VanDerWaalsContact CA-O 3.31Å; F691-K717 WeakPolarHBondContact CA-O 3.33Å; F691-V718 HydrophobicContact CD1-CG2 3.87Å; F691-V718 HydrophobicContact CE1-CG2 3.54Å; F691-V718 HydrophobicContact CZ-CG2 4.07Å |
| 692 | E | 78.8 | Confident | 84.9 | Confident | 120 Ų | 120 | 63.4 Ų | 63.4 | 56% | 0.561 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93 | 141.5 | 170.9 | 178.9 | 169.5 | -143.1 | 0 | 0 | 110.6 | C716 K717 T719 | E692-C716 WeakPolarHBondContact O-CA 3.45Å; E692-K717 PolarHBondContact N-O 2.85Å; E692-K717 PolarHBondContact O-N 3.06Å; E692-T719 HydrophobicContact CB-CG2 3.57Å; E692-T719 HydrophobicContact CG-CG2 4.5Å |
| 693 | L | 84.1 | Confident | 84.5 | Confident | 47 Ų | 47 | 63.5 Ų | 63.5 | 25% | 0.246 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 112.3 | -177.2 | -172.2 | 151.8 | 0 | 0 | 0 | 110 | F685 V697 P714 | F685-L693 HydrophobicContact CB-CD1 4.44Å; F685-L693 WeakPolarHBondContact O-CD1 3.43Å; L693-V697 HydrophobicContact CD1-CG2 4.12Å; L693-V697 HydrophobicContact CD2-CB 4.11Å; L693-V697 HydrophobicContact CD2-CG2 4.49Å; L693-P714 HydrophobicContact CD1-CB 4.45Å; L693-P714 HydrophobicContact CD1-CG 4.05Å; L693-P714 HydrophobicContact CD2-CB 3.54Å; L693-P714 HydrophobicContact CD2-CG 3.91Å; L693-P714 HydrophobicContact CG-CB 3.86Å; L693-P714 HydrophobicContact CG-CG 4.01Å |
| 694 | I | 80.8 | Confident | 83.6 | Confident | 86 Ų | 86 | 64.4 Ų | 64.4 | 44% | 0.441 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 100.6 | -179.5 | -56.2 | 178.9 | 0 | 0 | 0 | 109.1 | L715 K717 | I694-L715 PolarHBondContact N-O 3.03Å; I694-L715 PolarHBondContact O-N 3.43Å; I694-K717 HydrophobicContact CD1-CB 3.94Å; I694-K717 HydrophobicContact CD1-CD 3.86Å; I694-K717 HydrophobicContact CD1-CG 4Å |
| 695 | G | 82.8 | Confident | 82.4 | Confident | 54 Ų | 54 | 64.7 Ų | 64.7 | 56% | 0.557 | 36% | 0.355 | S | S | * | . | S | Bend | trans | 146.2 | -165.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 696 | E | 86.9 | Confident | 81.6 | Confident | 91 Ų | 91 | 68.2 Ų | 68.2 | 43% | 0.425 | 38% | 0.378 | S | S | . | . | trans | -80.9 | 120.5 | 176.2 | -167.3 | 169.3 | -136.3 | 0 | 0 | 110.2 | T698 I699 T710 S711 P714 | E696-T698 WeakPolarHBondContact CG-O 3.36Å; E696-T698 PolarHBondContact O-N 3.44Å; E696-I699 HydrophobicContact CB-CG2 4.36Å; E696-T710 PolarHBondContact OE2-OG1 2.85Å; E696-T710 VanDerWaalsContact OE2-OG1 3.08Å; E696-S711 WeakPolarHBondContact CB-OG 3.41Å; E696-S711 WeakPolarHBondContact OE2-CB 3.37Å; E696-S711 PolarHBondContact OE2-OG 3.25Å; E696-P714 WeakPolarHBondContact O-CG 3.39Å | ||
| 697 | V | 85.4 | Confident | 81.4 | Confident | 70 Ų | 70 | 65.1 Ų | 65.1 | 42% | 0.424 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -67.6 | -19.1 | -177.3 | 67.4 | 0 | 0 | 0 | 0 | 113.1 | R684 F685 L693 | R684-V697 WeakPolarHBondContact CA-O 3.5Å; R684-V697 WeakPolarHBondContact CG-O 3.47Å; F685-V697 PolarHBondContact N-O 3.28Å; F685-V697 VanDerWaalsContact N-O 3.08Å; L693-V697 HydrophobicContact CD1-CG2 4.12Å; L693-V697 HydrophobicContact CD2-CB 4.11Å; L693-V697 HydrophobicContact CD2-CG2 4.49Å |
| 698 | T | 89.1 | Confident | 81.2 | Confident | 27 Ų | 27 | 70 Ų | 70 | 17% | 0.166 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 111.5 | -179.9 | -58 | 0 | 0 | 0 | 0 | 109.9 | L683 R684 E696 | L683-T698 CarbonylContact O-C 3.58Å; L683-T698 WeakPolarHBondContact O-CA 3.49Å; R684-T698 HydrophobicContact CB-CG2 4.27Å; R684-T698 WeakPolarHBondContact CB-OG1 3.2Å; R684-T698 PolarHBondContact NE-OG1 3.29Å; R684-T698 PolarHBondContact NH2-OG1 2.96Å; E696-T698 WeakPolarHBondContact CG-O 3.36Å; E696-T698 PolarHBondContact O-N 3.44Å |
| 699 | I | 89.1 | Confident | 81.4 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 151.5 | 179.9 | 67.2 | 175.2 | 0 | 0 | 0 | 109.6 | P662 S682 L683 F685 E696 W709 S711 | P662-I699 HydrophobicContact CG-CD1 3.71Å; S682-I699 CarbonylContact C-O 3.57Å; S682-I699 WeakPolarHBondContact CA-O 3.33Å; L683-I699 HydrophobicContact CB-CG1 4.2Å; L683-I699 PolarHBondContact N-O 2.75Å; L683-I699 PolarHBondContact O-N 3.04Å; F685-I699 HydrophobicContact CE2-CD1 3.67Å; F685-I699 HydrophobicContact CE2-CG1 3.89Å; F685-I699 HydrophobicContact CE2-CG2 4.46Å; F685-I699 HydrophobicContact CZ-CD1 4.12Å; E696-I699 HydrophobicContact CB-CG2 4.36Å; I699-W709 HydrophobicContact CB-CE3 4.23Å; I699-W709 HydrophobicContact CD1-CB 4.22Å; I699-W709 HydrophobicContact CD1-CD2 3.8Å; I699-W709 HydrophobicContact CD1-CE3 3.68Å; I699-W709 HydrophobicContact CD1-CG 4.04Å; I699-W709 HydrophobicContact CD1-CZ3 4.32Å; I699-W709 HydrophobicContact CG1-CD2 4.23Å; I699-W709 HydrophobicContact CG1-CE3 3.57Å; I699-W709 HydrophobicContact CG1-CZ3 3.98Å; I699-S711 WeakPolarHBondContact CG2-OG 3.43Å |
| 700 | T | 88.9 | Confident | 81.8 | Confident | 48 Ų | 48 | 60 Ų | 60 | 29% | 0.294 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 145.7 | 178.5 | 79 | 0 | 0 | 0 | 0 | 111.8 | E681 V702 W709 T710 | E681-T700 WeakPolarHBondContact O-CA 3.32Å; T700-V702 PolarHBondContact O-N 2.98Å; T700-W709 CarbonylContact O-C 3.36Å; T700-W709 WeakPolarHBondContact O-CA 3.4Å; T700-T710 PolarHBondContact N-OG1 3.11Å; T700-T710 VanDerWaalsContact N-OG1 3.1Å; T700-T710 PolarHBondContact O-N 2.88Å; T700-T710 WeakPolarHBondContact OG1-CG2 3.4Å |
| 701 | C | 87.6 | Confident | 82.3 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 98.6 | 174.6 | 177.9 | 0 | 0 | 0 | 0 | 108 | C659 A679 G680 E681 Q708 W709 | C659-C701 HydrophobicContact CB-CB 3.81Å; C659-C701 WeakPolarHBondContact CB-SG 3.46Å; C659-C701 VanDerWaalsContact SG-CA 3.52Å; C659-C701 WeakPolarHBondContact SG-CB 3.03Å; C659-C701 CovalentContact SG-SG 2.03Å; C659-C701 PolarHBondContact SG-SG 3.26Å; A679-C701 CarbonylContact C-O 3.53Å; A679-C701 WeakPolarHBondContact CA-O 3.5Å; G680-C701 PolarHBondContact N-O 3.43Å; E681-C701 PolarHBondContact O-N 3.45Å; C701-Q708 CarbonylContact C-O 3.52Å; C701-Q708 WeakPolarHBondContact CA-O 3.03Å; C701-W709 HydrophobicContact CB-CE3 4.16Å; C701-W709 HydrophobicContact CB-CH2 4.13Å; C701-W709 HydrophobicContact CB-CZ3 3.93Å |
| 702 | V | 84.8 | Confident | 82.6 | Confident | 61 Ų | 61 | 64.5 Ų | 64.5 | 37% | 0.37 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 137.9 | 179.8 | -74.8 | 0 | 0 | 0 | 0 | 111 | T700 G704 S707 Q708 T710 | T700-V702 PolarHBondContact O-N 2.98Å; V702-G704 PolarHBondContact O-N 3.03Å; V702-S707 WeakPolarHBondContact O-CA 3.12Å; V702-S707 VanDerWaalsContact O-CB 3.31Å; V702-S707 WeakPolarHBondContact O-CB 3.26Å; V702-Q708 WeakPolarHBondContact CG2-O 3.49Å; V702-Q708 PolarHBondContact N-O 3.42Å; V702-Q708 PolarHBondContact O-N 2.97Å; V702-T710 HydrophobicContact CG1-CG2 3.73Å |
| 703 | P | 78.8 | Confident | 82.8 | Confident | 76 Ų | 76 | 60.7 Ų | 60.7 | 49% | 0.494 | 35% | 0.345 | S | S | . | . | trans | -59.1 | 130.2 | -178.7 | -16 | 24.7 | 0 | 0 | 0 | 112.3 | Y656 A679 | Y656-P703 HydrophobicContact CD1-CB 3.73Å; Y656-P703 HydrophobicContact CD2-CB 4.04Å; Y656-P703 HydrophobicContact CE1-CB 3.53Å; Y656-P703 HydrophobicContact CE2-CB 3.86Å; Y656-P703 HydrophobicContact CG-CB 3.99Å; A679-P703 HydrophobicContact CB-CB 3.93Å; A679-P703 HydrophobicContact CB-CG 3.96Å | ||
| 704 | G | 69.5 | Low | 82.8 | Confident | 20 Ų | 20 | 58.5 Ų | 58.5 | 21% | 0.206 | 33% | 0.334 | C | S | . | . | trans | -168.2 | -174.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | V702 P706 S707 | V702-G704 PolarHBondContact O-N 3.03Å; G704-P706 CarbonylContact C-O 3.57Å; G704-P706 CarbonylContact O-C 3.53Å; G704-S707 PolarHBondContact N-OG 2.98Å; G704-S707 PolarHBondContact O-N 2.96Å; G704-S707 PolarHBondContact O-OG 3.37Å | ||
| 705 | H | 65.8 | Low | 83 | Confident | 125 Ų | 125 | 59.4 Ų | 59.4 | 58% | 0.579 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131 | 90.7 | 175.7 | -66.2 | -69.2 | 0 | 0 | 0 | 110.4 | ||
| 706 | P | 72.5 | Confident | 83.1 | Confident | 74 Ų | 74 | 57.6 Ų | 57.6 | 48% | 0.481 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -70.9 | 160.9 | -8.7 | 32.6 | -36.7 | 0 | 0 | 0 | 112 | G704 | G704-P706 CarbonylContact C-O 3.57Å; G704-P706 CarbonylContact O-C 3.53Å |
| 707 | S | 81.9 | Confident | 82.6 | Confident | 10 Ų | 10 | 59 Ų | 59 | 7% | 0.07 | 32% | 0.322 | C | S | . | . | trans | -65.8 | 147 | 170 | -54.6 | 0 | 0 | 0 | 0 | 110.4 | E657 C659 V702 G704 | E657-S707 WeakPolarHBondContact O-CB 3.39Å; E657-S707 PolarHBondContact O-OG 2.63Å; C659-S707 VanDerWaalsContact SG-C 3.54Å; C659-S707 VanDerWaalsContact SG-CB 3.57Å; V702-S707 WeakPolarHBondContact O-CA 3.12Å; V702-S707 VanDerWaalsContact O-CB 3.31Å; V702-S707 WeakPolarHBondContact O-CB 3.26Å; G704-S707 PolarHBondContact N-OG 2.98Å; G704-S707 PolarHBondContact O-N 2.96Å; G704-S707 PolarHBondContact O-OG 3.37Å | ||
| 708 | Q | 83.6 | Confident | 82 | Confident | 128 Ų | 128 | 60.6 Ų | 60.6 | 60% | 0.598 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 160.1 | -174.4 | -58.9 | -173.3 | 22.9 | 0 | 0 | 111.1 | C701 V702 | C701-Q708 CarbonylContact C-O 3.52Å; C701-Q708 WeakPolarHBondContact CA-O 3.03Å; V702-Q708 WeakPolarHBondContact CG2-O 3.49Å; V702-Q708 PolarHBondContact N-O 3.42Å; V702-Q708 PolarHBondContact O-N 2.97Å |
| 709 | W | 87.4 | Confident | 80.4 | Confident | 44 Ų | 44 | 62.4 Ų | 62.4 | 17% | 0.167 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 143.2 | 173.2 | -66.4 | 104.4 | 0 | 0 | 0 | 110.8 | C659 L660 P662 Y677 L683 I699 T700 C701 S711 | C659-W709 HydrophobicContact CB-CD2 4.31Å; C659-W709 HydrophobicContact CB-CZ2 3.77Å; L660-W709 PolarHBondContact O-NE1 3Å; P662-W709 HydrophobicContact CG-CD2 4.28Å; P662-W709 HydrophobicContact CG-CG 4.4Å; P662-W709 HydrophobicContact CG-CZ2 4.28Å; Y677-W709 HydrophobicContact CD1-CH2 4.24Å; Y677-W709 AromaticContact CD2-CH2 3.71Å; Y677-W709 HydrophobicContact CD2-CH2 3.71Å; Y677-W709 AromaticContact CD2-CZ2 3.53Å; Y677-W709 HydrophobicContact CD2-CZ2 3.53Å; Y677-W709 HydrophobicContact CE2-CH2 4.34Å; Y677-W709 HydrophobicContact CE2-CZ2 4.22Å; Y677-W709 AromaticContact CG-CH2 3.63Å; Y677-W709 HydrophobicContact CG-CH2 3.63Å; Y677-W709 AromaticContact CG-CZ2 3.87Å; Y677-W709 HydrophobicContact CG-CZ2 3.87Å; L683-W709 HydrophobicContact CB-CH2 4.05Å; L683-W709 HydrophobicContact CB-CZ3 4.04Å; L683-W709 HydrophobicContact CD2-CH2 4.34Å; I699-W709 HydrophobicContact CB-CE3 4.23Å; I699-W709 HydrophobicContact CD1-CB 4.22Å; I699-W709 HydrophobicContact CD1-CD2 3.8Å; I699-W709 HydrophobicContact CD1-CE3 3.68Å; I699-W709 HydrophobicContact CD1-CG 4.04Å; I699-W709 HydrophobicContact CD1-CZ3 4.32Å; I699-W709 HydrophobicContact CG1-CD2 4.23Å; I699-W709 HydrophobicContact CG1-CE3 3.57Å; I699-W709 HydrophobicContact CG1-CZ3 3.98Å; T700-W709 CarbonylContact O-C 3.36Å; T700-W709 WeakPolarHBondContact O-CA 3.4Å; C701-W709 HydrophobicContact CB-CE3 4.16Å; C701-W709 HydrophobicContact CB-CH2 4.13Å; C701-W709 HydrophobicContact CB-CZ3 3.93Å; W709-S711 PolarHBondContact O-N 2.95Å |
| 710 | T | 88.6 | Confident | 78.4 | Confident | 65 Ų | 65 | 71.8 Ų | 71.8 | 40% | 0.399 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -54.2 | -35.3 | 176.6 | 47.9 | 0 | 0 | 0 | 0 | 113.4 | E696 T700 V702 | E696-T710 PolarHBondContact OE2-OG1 2.85Å; E696-T710 VanDerWaalsContact OE2-OG1 3.08Å; T700-T710 PolarHBondContact N-OG1 3.11Å; T700-T710 VanDerWaalsContact N-OG1 3.1Å; T700-T710 PolarHBondContact O-N 2.88Å; T700-T710 WeakPolarHBondContact OG1-CG2 3.4Å; V702-T710 HydrophobicContact CG1-CG2 3.73Å |
| 711 | S | 83.8 | Confident | 76 | Confident | 39 Ų | 39 | 75.4 Ų | 75.4 | 27% | 0.273 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -154.6 | 170.8 | -178.4 | 63 | 0 | 0 | 0 | 0 | 111 | E696 I699 W709 | E696-S711 WeakPolarHBondContact CB-OG 3.41Å; E696-S711 WeakPolarHBondContact OE2-CB 3.37Å; E696-S711 PolarHBondContact OE2-OG 3.25Å; I699-S711 WeakPolarHBondContact CG2-OG 3.43Å; W709-S711 PolarHBondContact O-N 2.95Å |
| 712 | Q | 83.9 | Confident | 73.5 | Confident | 169 Ų | 169 | 82.1 Ų | 82.1 | 79% | 0.79 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -80.6 | 155.1 | 177.7 | -63.5 | 179 | 0.6 | 0 | 0 | 110.8 | ||
| 713 | P | 83 | Confident | 70.9 | Confident | 40 Ų | 40 | 86.7 Ų | 86.7 | 26% | 0.26 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -52.7 | 135.6 | 177.3 | -27.5 | 35.5 | 0 | 0 | 0 | 112.8 | P662 F685 | P662-P713 HydrophobicContact CB-CG 3.94Å; P662-P713 HydrophobicContact CG-CG 4.35Å; F685-P713 HydrophobicContact CE2-CB 4.44Å; F685-P713 HydrophobicContact CZ-CB 4.24Å; F685-P713 HydrophobicContact CZ-CG 4.43Å |
| 714 | P | 85.4 | Confident | 69.4 | Low | 2 Ų | 2 | 87.8 Ų | 87.8 | 1% | 0.013 | 48% | 0.479 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 152.5 | -175.2 | 31.6 | -37 | 0 | 0 | 0 | 112.1 | P665 F685 L693 E696 | P665-P714 WeakPolarHBondContact CB-O 3.44Å; P665-P714 WeakPolarHBondContact CG-O 3.45Å; F685-P714 HydrophobicContact CB-CG 3.71Å; F685-P714 HydrophobicContact CD2-CG 3.89Å; F685-P714 HydrophobicContact CG-CG 4.01Å; L693-P714 HydrophobicContact CD1-CB 4.45Å; L693-P714 HydrophobicContact CD1-CG 4.05Å; L693-P714 HydrophobicContact CD2-CB 3.54Å; L693-P714 HydrophobicContact CD2-CG 3.91Å; L693-P714 HydrophobicContact CG-CB 3.86Å; L693-P714 HydrophobicContact CG-CG 4.01Å; E696-P714 WeakPolarHBondContact O-CG 3.39Å |
| 715 | L | 84.2 | Confident | 67.5 | Low | 104 Ų | 104 | 92.2 Ų | 92.2 | 55% | 0.545 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 129.6 | -175 | -66.8 | 168.7 | 0 | 0 | 0 | 111.8 | I694 | I694-L715 PolarHBondContact N-O 3.03Å; I694-L715 PolarHBondContact O-N 3.43Å |
| 716 | C | 84.5 | Confident | 66.1 | Low | 16 Ų | 16 | 98.2 Ų | 98.2 | 11% | 0.108 | 53% | 0.525 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 119.9 | 175.2 | -60.7 | 0 | 0 | 0 | 0 | 110.7 | N667 C687 F691 E692 | N667-C716 HydrophobicContact CB-CB 4.4Å; C687-C716 WeakPolarHBondContact CA-SG 3.45Å; C687-C716 HydrophobicContact CB-CB 3.76Å; C687-C716 WeakPolarHBondContact CB-SG 3.21Å; C687-C716 WeakPolarHBondContact SG-CA 3.45Å; C687-C716 WeakPolarHBondContact SG-CB 3.39Å; C687-C716 CovalentContact SG-SG 2.03Å; C687-C716 PolarHBondContact SG-SG 2.86Å; F691-C716 HydrophobicContact CB-CB 3.96Å; F691-C716 HydrophobicContact CD1-CB 4.27Å; F691-C716 HydrophobicContact CG-CB 4.38Å; E692-C716 WeakPolarHBondContact O-CA 3.45Å |
| 717 | K | 76.6 | Confident | 64.4 | Low | 122 Ų | 122 | 103.2 Ų | 103.2 | 53% | 0.53 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 146.7 | 178 | -64.5 | -163.7 | -170.1 | 173.5 | 0 | 112.7 | F691 E692 I694 | F691-K717 CarbonylContact C-O 3.55Å; F691-K717 VanDerWaalsContact CA-O 3.31Å; F691-K717 WeakPolarHBondContact CA-O 3.33Å; E692-K717 PolarHBondContact N-O 2.85Å; E692-K717 PolarHBondContact O-N 3.06Å; I694-K717 HydrophobicContact CD1-CB 3.94Å; I694-K717 HydrophobicContact CD1-CD 3.86Å; I694-K717 HydrophobicContact CD1-CG 4Å |
| 718 | V | 72.9 | Confident | 62.3 | Low | 103 Ų | 103 | 109.4 Ų | 109.4 | 62% | 0.624 | 57% | 0.573 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -68.1 | 131.7 | -178.1 | -175.5 | 0 | 0 | 0 | 0 | 111.2 | F691 | F691-V718 HydrophobicContact CD1-CG2 3.87Å; F691-V718 HydrophobicContact CE1-CG2 3.54Å; F691-V718 HydrophobicContact CZ-CG2 4.07Å |
| 719 | T | 56.4 | Low | 60.2 | Low | 64 Ų | 64 | 111.9 Ų | 111.9 | 39% | 0.393 | 59% | 0.585 | S | S | . | * | P | Polyproline II helix | trans | -81 | 137.4 | 175.6 | 40.8 | 0 | 0 | 0 | 0 | 112 | E692 | E692-T719 HydrophobicContact CB-CG2 3.57Å; E692-T719 HydrophobicContact CG-CG2 4.5Å |
| 720 | Q | 46.6 | Very low | 58.3 | Low | 197 Ų | 197 | 113.9 Ų | 113.9 | 92% | 0.921 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -103.9 | 134.6 | 172.2 | -68.9 | -171.2 | -6.1 | 0 | 0 | 110.2 | ||
| 721 | T | 39.3 | Very low | 56.5 | Low | 124 Ų | 124 | 113.9 Ų | 113.9 | 76% | 0.761 | 63% | 0.632 | S | S | * | * | trans | -124.1 | 112.5 | -164.5 | 41.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 722 | T | 34.1 | Very low | 55.2 | Low | 142 Ų | 142 | 119.1 Ų | 119.1 | 87% | 0.871 | 66% | 0.657 | S | S | * | * | trans | -145 | 77.2 | 163.6 | 54.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 723 | D | 30.6 | Very low | 53.6 | Low | 156 Ų | 156 | 117.5 Ų | 117.5 | 83% | 0.834 | 65% | 0.653 | S | S | * | * | 4.4 | 162.9 | 126.3 | -138.8 | 41.3 | 0 | 0 | 0 | 119.4 | |||||
| 724 | P | 46.6 | Very low | 52.1 | Low | 99 Ų | 99 | 119 Ų | 119 | 64% | 0.643 | 67% | 0.668 | S | S | * | * | -132.4 | 165.2 | -67.3 | 38.5 | -25 | 0 | 0 | 0 | 113.4 | |||||
| 725 | S | 30.9 | Very low | 50.7 | Low | 113 Ų | 113 | 124.2 Ų | 124.2 | 79% | 0.79 | 70% | 0.696 | S | S | * | * | trans | -175.4 | 125.3 | 140.3 | 44.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 726 | R | 35.8 | Very low | 49.3 | Very low | 252 Ų | 252 | 122.8 Ų | 122.8 | 95% | 0.951 | 70% | 0.699 | S | S | * | * | trans | 175.4 | 133.2 | 133.2 | -84 | -103.8 | 168.8 | 147.6 | 0.6 | 108 | ||||
| 727 | Q | 35.6 | Very low | 48.1 | Very low | 178 Ų | 178 | 126.7 Ų | 126.7 | 83% | 0.832 | 72% | 0.718 | S | S | * | * | trans | -132.5 | 159.3 | -179.4 | -164.7 | -177.8 | 3.7 | 0 | 0 | 108.3 | ||||
| 728 | L | 38 | Very low | 47.2 | Very low | 141 Ų | 141 | 126.4 Ų | 126.4 | 74% | 0.738 | 72% | 0.721 | S | S | * | * | trans | 68.3 | 147.3 | -164.8 | -81.2 | 58.6 | 0 | 0 | 0 | 112.9 | ||||
| 729 | E | 39.6 | Very low | 46.8 | Very low | 179 Ų | 179 | 127.3 Ų | 127.3 | 84% | 0.836 | 72% | 0.722 | S | S | * | * | cis | -136.8 | 132.8 | 9.2 | -146.2 | 155.2 | 128.5 | 0 | 0 | 112 | ||||
| 730 | G | 48.6 | Very low | 47 | Very low | 87 Ų | 87 | 127.8 Ų | 127.8 | 90% | 0.897 | 73% | 0.726 | S | S | * | * | trans | -114.5 | 101.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 731 | G | 50.5 | Low | 47.9 | Very low | 64 Ų | 64 | 123.1 Ų | 123.1 | 66% | 0.66 | 71% | 0.707 | S | S | * | * | trans | -175.4 | 137.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 732 | N | 56.3 | Low | 49.2 | Very low | 149 Ų | 149 | 118.8 Ų | 118.8 | 80% | 0.797 | 69% | 0.687 | S | S | * | * | trans | 61 | 61.6 | 163.5 | -57 | -24.9 | 0 | 0 | 0 | 118.6 | ||||
| 733 | L | 50.3 | Low | 51.1 | Low | 136 Ų | 136 | 117.2 Ų | 117.2 | 71% | 0.712 | 67% | 0.672 | S | S | * | * | trans | -120.7 | -6.8 | 157.4 | -140.8 | 83.5 | 0 | 0 | 0 | 115.6 | ||||
| 734 | A | 51.4 | Low | 53.2 | Low | 70 Ų | 70 | 114.4 Ų | 114.4 | 58% | 0.579 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -74 | -38.6 | -180 | 0 | 0 | 0 | 0 | 0 | 113.6 | L738 | A734-L738 WeakPolarHBondContact O-CG 3.01Å; A734-L738 PolarHBondContact O-N 3.45Å |
| 735 | L | 54.9 | Low | 54.5 | Low | 113 Ų | 113 | 115.2 Ų | 115.2 | 59% | 0.592 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -73.4 | -29.4 | -174.4 | -74.5 | 167.7 | 0 | 0 | 0 | 113.7 | I737 L739 | L735-I737 VanDerWaalsContact C-N 3.27Å; L735-I737 PolarHBondContact O-N 3.08Å; L735-L739 WeakPolarHBondContact O-CB 3.47Å; L735-L739 WeakPolarHBondContact O-CG 3.02Å; L735-L739 PolarHBondContact O-N 2.91Å |
| 736 | A | 55.4 | Low | 56.7 | Low | 73 Ų | 73 | 114.7 Ų | 114.7 | 60% | 0.603 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -68.5 | -24 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | P740 | A736-P740 VanDerWaalsContact O-CD 3.31Å; A736-P740 WeakPolarHBondContact O-CD 3.35Å; A736-P740 WeakPolarHBondContact O-CG 3.16Å |
| 737 | I | 59.1 | Low | 58.7 | Low | 99 Ų | 99 | 107.9 Ų | 107.9 | 51% | 0.508 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -101 | -36.9 | -177.5 | -61.2 | 173.9 | 0 | 0 | 0 | 111.2 | L735 P740 L741 | L735-I737 VanDerWaalsContact C-N 3.27Å; L735-I737 PolarHBondContact O-N 3.08Å; I737-P740 WeakPolarHBondContact O-CD 3.02Å; I737-P740 WeakPolarHBondContact O-CG 3.31Å; I737-L741 HydrophobicContact CG2-CD1 4.07Å |
| 738 | L | 57.8 | Low | 60.6 | Low | 115 Ų | 115 | 101.4 Ų | 101.4 | 60% | 0.602 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -73.7 | -33.1 | -178.4 | -68.2 | 173.5 | 0 | 0 | 0 | 113.7 | A734 G742 | A734-L738 WeakPolarHBondContact O-CG 3.01Å; A734-L738 PolarHBondContact O-N 3.45Å; L738-G742 PolarHBondContact O-N 3.08Å |
| 739 | L | 63.9 | Low | 62 | Low | 123 Ų | 123 | 97.4 Ų | 97.4 | 64% | 0.644 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -62.7 | -50.6 | 178.1 | -75.6 | 170.4 | 0 | 0 | 0 | 113.9 | L735 G742 L743 | L735-L739 WeakPolarHBondContact O-CB 3.47Å; L735-L739 WeakPolarHBondContact O-CG 3.02Å; L735-L739 PolarHBondContact O-N 2.91Å; L739-G742 PolarHBondContact O-N 2.93Å; L739-L743 WeakPolarHBondContact O-CB 3.39Å; L739-L743 PolarHBondContact O-N 3.36Å; L739-L743 VanDerWaalsContact O-N 3.08Å |
| 740 | P | 61.6 | Low | 63.7 | Low | 74 Ų | 74 | 90.7 Ų | 90.7 | 48% | 0.481 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.2 | -38 | 176.9 | 23.8 | -32.7 | 0 | 0 | 0 | 112.8 | A736 I737 L743 V744 | A736-P740 VanDerWaalsContact O-CD 3.31Å; A736-P740 WeakPolarHBondContact O-CD 3.35Å; A736-P740 WeakPolarHBondContact O-CG 3.16Å; I737-P740 WeakPolarHBondContact O-CD 3.02Å; I737-P740 WeakPolarHBondContact O-CG 3.31Å; P740-L743 PolarHBondContact O-N 2.89Å; P740-V744 WeakPolarHBondContact O-CG2 3.48Å; P740-V744 PolarHBondContact O-N 3.35Å |
| 741 | L | 64.9 | Low | 65 | Low | 98 Ų | 98 | 90.8 Ų | 90.8 | 51% | 0.513 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.1 | -44.9 | 176 | -85.9 | 165.9 | 0 | 0 | 0 | 112.3 | I737 L743 V744 I745 | I737-L741 HydrophobicContact CG2-CD1 4.07Å; L741-L743 VanDerWaalsContact C-N 3.33Å; L741-L743 PolarHBondContact O-N 3.1Å; L741-V744 PolarHBondContact O-N 2.86Å; L741-I745 WeakPolarHBondContact O-CG1 3.21Å; L741-I745 PolarHBondContact O-N 2.84Å; L741-I745 VanDerWaalsContact O-N 3.09Å |
| 742 | G | 68.3 | Low | 65.9 | Low | 33 Ų | 33 | 95.2 Ų | 95.2 | 34% | 0.34 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60.5 | -41.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L738 L739 I745 V746 | L738-G742 PolarHBondContact O-N 3.08Å; L739-G742 PolarHBondContact O-N 2.93Å; G742-I745 PolarHBondContact O-N 2.87Å; G742-V746 WeakPolarHBondContact O-CG2 3.46Å; G742-V746 PolarHBondContact O-N 2.94Å |
| 743 | L | 73.8 | Confident | 66.4 | Low | 109 Ų | 109 | 92.5 Ų | 92.5 | 57% | 0.571 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -67.9 | -37.8 | -179.9 | -162.2 | 148.9 | 0 | 0 | 0 | 112.1 | L739 P740 L741 V746 L747 | L739-L743 WeakPolarHBondContact O-CB 3.39Å; L739-L743 PolarHBondContact O-N 3.36Å; L739-L743 VanDerWaalsContact O-N 3.08Å; P740-L743 PolarHBondContact O-N 2.89Å; L741-L743 VanDerWaalsContact C-N 3.33Å; L741-L743 PolarHBondContact O-N 3.1Å; L743-V746 PolarHBondContact O-N 2.79Å; L743-L747 HydrophobicContact CD2-CD1 3.62Å; L743-L747 HydrophobicContact CD2-CG 4.14Å; L743-L747 WeakPolarHBondContact O-CG 3.43Å; L743-L747 PolarHBondContact O-N 3.45Å |
| 744 | V | 74.4 | Confident | 67.5 | Low | 97 Ų | 97 | 93.4 Ų | 93.4 | 59% | 0.588 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.2 | -41.5 | 172.1 | 170.1 | 0 | 0 | 0 | 0 | 111.8 | P740 L741 L747 G748 | P740-V744 WeakPolarHBondContact O-CG2 3.48Å; P740-V744 PolarHBondContact O-N 3.35Å; L741-V744 PolarHBondContact O-N 2.86Å; V744-L747 PolarHBondContact O-N 2.66Å; V744-G748 PolarHBondContact O-N 3.27Å |
| 745 | I | 73.1 | Confident | 68.2 | Low | 117 Ų | 117 | 96.9 Ų | 96.9 | 60% | 0.6 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -67 | -39.7 | 177.9 | -67.4 | 165.5 | 0 | 0 | 0 | 111.3 | L741 G742 S749 | L741-I745 WeakPolarHBondContact O-CG1 3.21Å; L741-I745 PolarHBondContact O-N 2.84Å; L741-I745 VanDerWaalsContact O-N 3.09Å; G742-I745 PolarHBondContact O-N 2.87Å; I745-S749 WeakPolarHBondContact O-CB 3.18Å; I745-S749 PolarHBondContact O-N 2.03Å; I745-S749 PolarHBondContact O-OG 3.36Å |
| 746 | V | 77.3 | Confident | 68.6 | Low | 101 Ų | 101 | 92.7 Ų | 92.7 | 61% | 0.612 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.9 | -42.2 | 175.7 | 170.3 | 0 | 0 | 0 | 0 | 111.8 | G742 L743 S749 G750 | G742-V746 WeakPolarHBondContact O-CG2 3.46Å; G742-V746 PolarHBondContact O-N 2.94Å; L743-V746 PolarHBondContact O-N 2.79Å; V746-S749 PolarHBondContact O-OG 2.91Å; V746-S749 VanDerWaalsContact O-OG 3.11Å; V746-G750 PolarHBondContact O-N 3.33Å |
| 747 | L | 78.9 | Confident | 68.9 | Low | 109 Ų | 109 | 97 Ų | 97 | 57% | 0.571 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.6 | -43.4 | 175.3 | -70.5 | 178.1 | 0 | 0 | 0 | 112.2 | L743 V744 G750 V751 | L743-L747 HydrophobicContact CD2-CD1 3.62Å; L743-L747 HydrophobicContact CD2-CG 4.14Å; L743-L747 WeakPolarHBondContact O-CG 3.43Å; L743-L747 PolarHBondContact O-N 3.45Å; V744-L747 PolarHBondContact O-N 2.66Å; L747-G750 PolarHBondContact O-N 3.08Å; L747-V751 WeakPolarHBondContact O-CG2 3.34Å; L747-V751 PolarHBondContact O-N 3.34Å |
| 748 | G | 74.8 | Confident | 69.1 | Low | 43 Ų | 43 | 98.1 Ų | 98.1 | 44% | 0.443 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.9 | -44.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | V744 V751 Y752 | V744-G748 PolarHBondContact O-N 3.27Å; G748-V751 PolarHBondContact O-N 3.01Å; G748-Y752 WeakPolarHBondContact O-CB 3.5Å; G748-Y752 PolarHBondContact O-N 3.18Å |
| 749 | S | 67.3 | Low | 69 | Low | 56 Ų | 56 | 98.8 Ų | 98.8 | 39% | 0.392 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67 | -36.3 | 174.5 | 52.6 | 0 | 0 | 0 | 0 | 112.7 | I745 V746 Y752 I753 | I745-S749 WeakPolarHBondContact O-CB 3.18Å; I745-S749 PolarHBondContact O-N 2.03Å; I745-S749 PolarHBondContact O-OG 3.36Å; V746-S749 PolarHBondContact O-OG 2.91Å; V746-S749 VanDerWaalsContact O-OG 3.11Å; S749-Y752 PolarHBondContact O-N 3.35Å; S749-I753 VanDerWaalsContact O-CG1 3.29Å; S749-I753 WeakPolarHBondContact O-CG1 3.31Å; S749-I753 PolarHBondContact O-N 3.32Å |
| 750 | G | 74.8 | Confident | 68.8 | Low | 38 Ų | 38 | 96.3 Ų | 96.3 | 39% | 0.392 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.4 | -46.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | V746 L747 I753 Y754 | V746-G750 PolarHBondContact O-N 3.33Å; L747-G750 PolarHBondContact O-N 3.08Å; G750-I753 PolarHBondContact O-N 3.45Å; G750-Y754 PolarHBondContact O-N 3.48Å |
| 751 | V | 76.1 | Confident | 68.6 | Low | 89 Ų | 89 | 100.6 Ų | 100.6 | 54% | 0.539 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.7 | -39 | 176.4 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | L747 G748 Y754 Y755 | L747-V751 WeakPolarHBondContact O-CG2 3.34Å; L747-V751 PolarHBondContact O-N 3.34Å; G748-V751 PolarHBondContact O-N 3.01Å; V751-Y754 PolarHBondContact O-N 2.8Å; V751-Y755 PolarHBondContact O-N 3.46Å |
| 752 | Y | 68.8 | Low | 68 | Low | 157 Ų | 157 | 101.3 Ų | 101.3 | 62% | 0.616 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.3 | -41.7 | 175.8 | -175.2 | -96.6 | 0 | 0 | 0 | 112.6 | G748 S749 Y754 Y755 T756 | G748-Y752 WeakPolarHBondContact O-CB 3.5Å; G748-Y752 PolarHBondContact O-N 3.18Å; S749-Y752 PolarHBondContact O-N 3.35Å; Y752-Y754 VanDerWaalsContact C-N 3.34Å; Y752-Y755 PolarHBondContact O-N 3.38Å; Y752-T756 HydrophobicContact CD1-CG2 4.4Å; Y752-T756 HydrophobicContact CE1-CG2 4.04Å; Y752-T756 WeakPolarHBondContact O-CG2 3.31Å; Y752-T756 PolarHBondContact O-N 2.03Å; Y752-T756 PolarHBondContact O-OG1 3.25Å |
| 753 | I | 68.3 | Low | 67.2 | Low | 92 Ų | 92 | 104.4 Ų | 104.4 | 47% | 0.472 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.7 | -36 | 175.2 | -68.8 | 166.2 | 0 | 0 | 0 | 111.2 | S749 G750 T756 K757 | S749-I753 VanDerWaalsContact O-CG1 3.29Å; S749-I753 WeakPolarHBondContact O-CG1 3.31Å; S749-I753 PolarHBondContact O-N 3.32Å; G750-I753 PolarHBondContact O-N 3.45Å; I753-T756 WeakPolarHBondContact CA-OG1 3.46Å; I753-T756 PolarHBondContact O-OG1 2.6Å; I753-K757 WeakPolarHBondContact O-CB 3.45Å; I753-K757 WeakPolarHBondContact O-CG 3.12Å; I753-K757 PolarHBondContact O-N 3.09Å; I753-K757 VanDerWaalsContact O-N 3.08Å |
| 754 | Y | 73.5 | Confident | 65.7 | Low | 155 Ų | 155 | 107.5 Ų | 107.5 | 61% | 0.608 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65 | -46.1 | 173.9 | -177.9 | -102.9 | 0 | 0 | 0 | 112.3 | G750 V751 Y752 K757 L758 | G750-Y754 PolarHBondContact O-N 3.48Å; V751-Y754 PolarHBondContact O-N 2.8Å; Y752-Y754 VanDerWaalsContact C-N 3.34Å; Y754-K757 WeakPolarHBondContact O-CB 3.43Å; Y754-K757 PolarHBondContact O-N 3.08Å; Y754-L758 HydrophobicContact CD1-CD1 4.25Å; Y754-L758 HydrophobicContact CD2-CD1 4.44Å; Y754-L758 HydrophobicContact CE1-CD1 3.71Å; Y754-L758 HydrophobicContact CE2-CD1 3.92Å; Y754-L758 PolarHBondContact O-N 3.21Å |
| 755 | Y | 64.6 | Low | 63.8 | Low | 144 Ų | 144 | 106.5 Ų | 106.5 | 57% | 0.565 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -65.5 | -42.1 | 178.6 | -113.9 | -85.6 | 0 | 0 | 0 | 113 | V751 Y752 L758 Q759 | V751-Y755 PolarHBondContact O-N 3.46Å; Y752-Y755 PolarHBondContact O-N 3.38Å; Y755-L758 PolarHBondContact O-N 2.92Å; Y755-Q759 PolarHBondContact O-N 3.28Å |
| 756 | T | 63.2 | Low | 62 | Low | 25 Ų | 25 | 109 Ų | 109 | 15% | 0.153 | 59% | 0.589 | C | S | . | * | H | α-helix | trans | -66.7 | -35.6 | 177.2 | 46.9 | 0 | 0 | 0 | 0 | 112.3 | Y752 I753 Q759 G760 | Y752-T756 HydrophobicContact CD1-CG2 4.4Å; Y752-T756 HydrophobicContact CE1-CG2 4.04Å; Y752-T756 WeakPolarHBondContact O-CG2 3.31Å; Y752-T756 PolarHBondContact O-N 2.03Å; Y752-T756 PolarHBondContact O-OG1 3.25Å; I753-T756 WeakPolarHBondContact CA-OG1 3.46Å; I753-T756 PolarHBondContact O-OG1 2.6Å; T756-Q759 PolarHBondContact O-N 2.81Å; T756-G760 PolarHBondContact O-N 3.37Å |
| 757 | K | 62.4 | Low | 60 | Low | 164 Ų | 164 | 109.9 Ų | 109.9 | 71% | 0.713 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -60.7 | -44.8 | 167.9 | -90.5 | -81.1 | -175.7 | 174 | 0 | 112.8 | I753 Y754 Q759 G760 | I753-K757 WeakPolarHBondContact O-CB 3.45Å; I753-K757 WeakPolarHBondContact O-CG 3.12Å; I753-K757 PolarHBondContact O-N 3.09Å; I753-K757 VanDerWaalsContact O-N 3.08Å; Y754-K757 WeakPolarHBondContact O-CB 3.43Å; Y754-K757 PolarHBondContact O-N 3.08Å; K757-Q759 VanDerWaalsContact C-N 3.31Å; K757-Q759 PolarHBondContact O-N 3.34Å; K757-G760 PolarHBondContact O-N 2.96Å |
| 758 | L | 63.4 | Low | 57.8 | Low | 122 Ų | 122 | 108.3 Ų | 108.3 | 64% | 0.639 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -67 | -30.7 | 179.2 | -116.5 | 100 | 0 | 0 | 0 | 113.1 | Y754 Y755 G760 | Y754-L758 HydrophobicContact CD1-CD1 4.25Å; Y754-L758 HydrophobicContact CD2-CD1 4.44Å; Y754-L758 HydrophobicContact CE1-CD1 3.71Å; Y754-L758 HydrophobicContact CE2-CD1 3.92Å; Y754-L758 PolarHBondContact O-N 3.21Å; Y755-L758 PolarHBondContact O-N 2.92Å; L758-G760 VanDerWaalsContact C-N 3.29Å; L758-G760 PolarHBondContact O-N 2.84Å |
| 759 | Q | 56.5 | Low | 55.9 | Low | 128 Ų | 128 | 111.3 Ų | 111.3 | 60% | 0.598 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | 8.5 | 177.9 | -68.9 | -173.1 | -10.1 | 0 | 0 | 114.2 | Y755 T756 K757 K761 | Y755-Q759 PolarHBondContact O-N 3.28Å; T756-Q759 PolarHBondContact O-N 2.81Å; K757-Q759 VanDerWaalsContact C-N 3.31Å; K757-Q759 PolarHBondContact O-N 3.34Å; Q759-K761 VanDerWaalsContact C-N 3.28Å; Q759-K761 PolarHBondContact O-N 2.9Å |
| 760 | G | 58.6 | Low | 54.2 | Low | 72 Ų | 72 | 117 Ų | 117 | 74% | 0.742 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66.8 | 19.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | T756 K757 L758 | T756-G760 PolarHBondContact O-N 3.37Å; K757-G760 PolarHBondContact O-N 2.96Å; L758-G760 VanDerWaalsContact C-N 3.29Å; L758-G760 PolarHBondContact O-N 2.84Å |
| 761 | K | 57.7 | Low | 52.1 | Low | 163 Ų | 163 | 120.3 Ų | 120.3 | 71% | 0.709 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 132.7 | 179.5 | -73.1 | 179.6 | 178.1 | 176.7 | 0 | 111.2 | Q759 | Q759-K761 VanDerWaalsContact C-N 3.28Å; Q759-K761 PolarHBondContact O-N 2.9Å |
| 762 | S | 52 | Low | 49.9 | Very low | 113 Ų | 113 | 127 Ų | 127 | 79% | 0.79 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 145.5 | -176.9 | -164 | 0 | 0 | 0 | 0 | 112.2 | ||
| 763 | L | 52.1 | Low | 48.1 | Very low | 99 Ų | 99 | 124.6 Ų | 124.6 | 52% | 0.518 | 68% | 0.684 | S | S | . | * | S | Bend | trans | -102.7 | 131.2 | 167.1 | -75.7 | 157.5 | 0 | 0 | 0 | 108 | ||
| 764 | F | 42.5 | Very low | 47.3 | Very low | 173 Ų | 173 | 125.4 Ų | 125.4 | 76% | 0.759 | 70% | 0.696 | S | S | * | * | trans | 75 | 120.8 | -172.2 | -67.8 | -83.7 | 0 | 0 | 0 | 117.9 | F766 | F764-F766 HydrophobicContact CD1-CD2 4.17Å; F764-F766 AromaticContact CD1-CE2 3.51Å; F764-F766 HydrophobicContact CD1-CE2 3.51Å; F764-F766 HydrophobicContact CD1-CZ 4.03Å; F764-F766 AromaticContact CE1-CE2 3.73Å; F764-F766 HydrophobicContact CE1-CE2 3.73Å; F764-F766 AromaticContact CE1-CZ 3.87Å; F764-F766 HydrophobicContact CE1-CZ 3.87Å | ||
| 765 | G | 34.3 | Very low | 45.5 | Very low | 77 Ų | 77 | 125.7 Ų | 125.7 | 79% | 0.794 | 71% | 0.706 | S | S | * | * | trans | -168.2 | 118.8 | 161.4 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 766 | F | 34.7 | Very low | 43.9 | Very low | 170 Ų | 170 | 124.9 Ų | 124.9 | 75% | 0.746 | 72% | 0.716 | S | S | * | * | trans | -106.7 | 148 | -169.1 | -86.2 | -71.7 | 0 | 0 | 0 | 112.9 | F764 | F764-F766 HydrophobicContact CD1-CD2 4.17Å; F764-F766 AromaticContact CD1-CE2 3.51Å; F764-F766 HydrophobicContact CD1-CE2 3.51Å; F764-F766 HydrophobicContact CD1-CZ 4.03Å; F764-F766 AromaticContact CE1-CE2 3.73Å; F764-F766 HydrophobicContact CE1-CE2 3.73Å; F764-F766 AromaticContact CE1-CZ 3.87Å; F764-F766 HydrophobicContact CE1-CZ 3.87Å | ||
| 767 | S | 35.1 | Very low | 42.5 | Very low | 118 Ų | 118 | 128.2 Ų | 128.2 | 83% | 0.825 | 74% | 0.736 | S | S | * | * | trans | 32.8 | 130.2 | 144.7 | -48.7 | 0 | 0 | 0 | 0 | 120 | ||||
| 768 | G | 33.6 | Very low | 41.1 | Very low | 77 Ų | 77 | 126.5 Ų | 126.5 | 79% | 0.794 | 73% | 0.731 | S | S | * | * | cis | -162.1 | -164.8 | 2.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 769 | S | 34.4 | Very low | 39.6 | Very low | 106 Ų | 106 | 125.7 Ų | 125.7 | 74% | 0.741 | 74% | 0.735 | S | S | * | * | cis | -155 | -170.5 | 13.5 | 56.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 770 | H | 31.9 | Very low | 38.4 | Very low | 174 Ų | 174 | 126 Ų | 126 | 81% | 0.806 | 74% | 0.741 | S | S | * | * | trans | 75.6 | 63.5 | -178.6 | -66.3 | -84.7 | 0 | 0 | 0 | 118.1 | ||||
| 771 | S | 29.9 | Very low | 37 | Very low | 109 Ų | 109 | 131.3 Ų | 131.3 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | 33.7 | 125.3 | 124.4 | -55.6 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 772 | Y | 29.9 | Very low | 35.7 | Very low | 230 Ų | 230 | 129.2 Ų | 129.2 | 90% | 0.902 | 75% | 0.75 | S | S | * | * | trans | 77.8 | 101.7 | 145.9 | -91 | -89.1 | 0 | 0 | 0 | 121.3 | ||||
| 773 | S | 32.5 | Very low | 34.8 | Very low | 105 Ų | 105 | 131.2 Ų | 131.2 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | trans | -79.8 | 168 | 155.3 | 53.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 774 | P | 50.5 | Low | 35 | Very low | 110 Ų | 110 | 131 Ų | 131 | 71% | 0.714 | 76% | 0.756 | S | S | * | * | trans | -103.4 | -175.7 | -158.9 | 41.3 | -38.1 | 0 | 0 | 0 | 115.7 | ||||
| 775 | I | 35.3 | Very low | 34.5 | Very low | 161 Ų | 161 | 129.2 Ų | 129.2 | 83% | 0.826 | 75% | 0.754 | S | S | * | * | trans | 77.3 | 131.6 | 170 | -58.5 | 164.5 | 0 | 0 | 0 | 112.2 | ||||
| 776 | T | 30.6 | Very low | 34.3 | Very low | 126 Ų | 126 | 134.4 Ų | 134.4 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | cis | -121.9 | 175 | 27.7 | 56.7 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 777 | V | 35.1 | Very low | 34.3 | Very low | 95 Ų | 95 | 134.3 Ų | 134.3 | 58% | 0.576 | 75% | 0.753 | S | S | * | * | trans | -56 | 166.1 | 151.8 | -111.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 778 | E | 32.1 | Very low | 34.3 | Very low | 129 Ų | 129 | 133.5 Ų | 133.5 | 60% | 0.603 | 75% | 0.753 | S | S | * | * | cis | -154.4 | 166.1 | 30.7 | -137.5 | 100 | -137.9 | 0 | 0 | 111 | R648 | R648-E778 IonicContact NH1-OE1 2.63Å; R648-E778 PolarHBondContact NH1-OE1 3.2Å | ||
| 779 | S | 32.6 | Very low | 34.1 | Very low | 104 Ų | 104 | 133.8 Ų | 133.8 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | trans | 57.7 | 151.6 | 166 | 31.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 780 | D | 31.7 | Very low | 34 | Very low | 136 Ų | 136 | 135.1 Ų | 135.1 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | cis | -156.3 | 167.5 | 1.7 | -121.5 | -24.9 | 0 | 0 | 0 | 113.5 | ||||
| 781 | F | 28.9 | Very low | 34.1 | Very low | 182 Ų | 182 | 132.8 Ų | 132.8 | 80% | 0.798 | 75% | 0.753 | S | S | * | * | trans | 37 | 116.9 | 157.6 | -84.4 | -105.8 | 0 | 0 | 0 | 121.2 | ||||
| 782 | S | 31.2 | Very low | 34.3 | Very low | 119 Ų | 119 | 137.3 Ų | 137.3 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | 172.7 | 131.9 | 102.2 | -73.9 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 783 | N | 32.9 | Very low | 34.5 | Very low | 155 Ų | 155 | 134.6 Ų | 134.6 | 83% | 0.829 | 75% | 0.749 | S | S | * | * | trans | -111.1 | 166.4 | 152.3 | -148.2 | 20 | 0 | 0 | 0 | 105.3 | ||||
| 784 | P | 55.1 | Low | 34.5 | Very low | 94 Ų | 94 | 140.1 Ų | 140.1 | 61% | 0.61 | 76% | 0.756 | S | S | * | * | cis | -142.4 | -160.8 | 10.1 | 33.1 | -6.9 | 0 | 0 | 0 | 115.3 | ||||
| 785 | L | 32.1 | Very low | 34 | Very low | 136 Ų | 136 | 143.4 Ų | 143.4 | 71% | 0.712 | 76% | 0.761 | S | S | * | * | trans | 110.8 | 143.2 | 144.8 | -77.1 | 157.3 | 0 | 0 | 0 | 120.8 | ||||
| 786 | Y | 31.3 | Very low | 34 | Very low | 187 Ų | 187 | 142.2 Ų | 142.2 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | trans | 60.8 | 113.4 | 178.9 | -67.5 | -80 | 0 | 0 | 0 | 117 | ||||
| 787 | E | 33.8 | Very low | 34.3 | Very low | 167 Ų | 167 | 140.9 Ų | 140.9 | 78% | 0.78 | 76% | 0.757 | S | S | * | * | cis | 94.6 | 147.4 | 30 | -169.8 | -175.8 | -111.1 | 0 | 0 | 114 | ||||
| 788 | A | 34.1 | Very low | 34.6 | Very low | 101 Ų | 101 | 148.1 Ų | 148.1 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | trans | 75.6 | 119.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 789 | G | 29.4 | Very low | 34.7 | Very low | 83 Ų | 83 | 149.1 Ų | 149.1 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | trans | 178 | 47.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 790 | D | 33.7 | Very low | 34.8 | Very low | 134 Ų | 134 | 151.5 Ų | 151.5 | 72% | 0.717 | 80% | 0.803 | S | S | * | * | trans | -72.3 | 127 | 178.7 | 170.1 | 33.2 | 0 | 0 | 0 | 112 | ||||
| 791 | T | 33.2 | Very low | 35 | Very low | 126 Ų | 126 | 152.3 Ų | 152.3 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | -162.7 | 107.8 | 128.6 | 44.8 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 792 | R | 33.3 | Very low | 35.4 | Very low | 203 Ų | 203 | 150.6 Ų | 150.6 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | trans | 47 | 143 | 130.9 | -65.2 | -174.9 | 172.9 | -162.9 | -7.8 | 123.5 | ||||
| 793 | E | 36 | Very low | 35.6 | Very low | 174 Ų | 174 | 152.6 Ų | 152.6 | 81% | 0.813 | 81% | 0.807 | S | S | * | * | trans | -63.1 | 154.8 | 169.4 | -53.5 | 129.1 | 141.3 | 0 | 0 | 113.7 | ||||
| 794 | Y | 32.4 | Very low | 35.8 | Very low | 221 Ų | 221 | 152.4 Ų | 152.4 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | trans | -134.7 | 113 | 150.6 | -75 | -80.7 | 0 | 0 | 0 | 109.7 | ||||
| 795 | E | 39.6 | Very low | 34.4 | Very low | 179 Ų | 179 | 156.6 Ų | 156.6 | 84% | 0.836 | 82% | 0.819 | S | S | * | * | trans | -90.6 | 123.8 | 171.2 | 175.8 | -176.3 | -128.7 | 0 | 0 | 109.1 | ||||
| 796 | V | 35 | Very low | 34.6 | Very low | 135 Ų | 135 | 158.2 Ų | 158.2 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | trans | -143.8 | 125.3 | 162.7 | -178 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 797 | S | 37.1 | Very low | 34.9 | Very low | 99 Ų | 99 | 155.8 Ų | 155.8 | 69% | 0.692 | 84% | 0.835 | S | S | * | * | trans | -88.4 | 140.4 | 173 | -32.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 798 | I | 40.8 | Very low | 35 | Very low | 247 Ų | 247 | 154.7 Ų | 154.7 | 100% | 1.267 | 84% | 0.84 | S | S | * | * | trans | -164.1 | 0 | 136.8 | -96 | 152.8 | 0 | 0 | 0 | 106.8 |
Retrieved 798 of 798 residues in 178.4 ms
(Link to these results)