| 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 | 51.2 | Low | 47.5 | Very low | 197 Ų | 197 | 131 Ų | 131 | 97% | 0.97 | 70% | 0.698 | S | S | * | * | 0 | -74.6 | 0 | -66.1 | -47.8 | -164.4 | 0 | 0 | 112.8 | T3 L4 | M1-T3 PolarHBondContact O-N 3.3Å; M1-L4 PolarHBondContact O-N 2.85Å | |||
| 2 | A | 36.6 | Very low | 47.5 | Very low | 73 Ų | 73 | 140.6 Ų | 140.6 | 60% | 0.603 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -53.1 | -28.4 | -169.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | L4 | A2-L4 VanDerWaalsContact C-N 3.33Å; A2-L4 PolarHBondContact O-N 3.3Å |
| 3 | T | 49.7 | Very low | 47.8 | Very low | 108 Ų | 108 | 141.2 Ų | 141.2 | 66% | 0.663 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -65.1 | -28.6 | -177.2 | -20.6 | 0 | 0 | 0 | 0 | 114.5 | M1 | M1-T3 PolarHBondContact O-N 3.3Å |
| 4 | L | 48 | Very low | 47.5 | Very low | 130 Ų | 130 | 144.6 Ų | 144.6 | 68% | 0.681 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -75.7 | -37.1 | -174.9 | -166.2 | 65.1 | 0 | 0 | 0 | 112 | M1 A2 R6 K7 | M1-L4 PolarHBondContact O-N 2.85Å; A2-L4 VanDerWaalsContact C-N 3.33Å; A2-L4 PolarHBondContact O-N 3.3Å; L4-R6 PolarHBondContact O-N 2.93Å; L4-K7 PolarHBondContact O-N 3.25Å; L4-K7 VanDerWaalsContact O-N 3.12Å |
| 5 | L | 46.9 | Very low | 47.2 | Very low | 113 Ų | 113 | 144.1 Ų | 144.1 | 59% | 0.592 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -65 | -27 | 178.7 | -65.7 | 174.3 | 0 | 0 | 0 | 113 | K7 | L5-K7 PolarHBondContact O-N 3.48Å |
| 6 | R | 47.4 | Very low | 46.5 | Very low | 186 Ų | 186 | 149.1 Ų | 149.1 | 70% | 0.702 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -63.9 | -24.4 | 174.4 | -73.7 | -179.5 | 166.3 | 148.3 | -7.2 | 113.3 | L4 | L4-R6 PolarHBondContact O-N 2.93Š|
| 7 | K | 49 | Very low | 45.9 | Very low | 193 Ų | 193 | 148.9 Ų | 148.9 | 84% | 0.839 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -92.7 | -0.2 | -172.5 | -142.1 | 173.9 | -176 | -178.3 | 0 | 114.6 | L4 L5 | L4-K7 PolarHBondContact O-N 3.25Å; L4-K7 VanDerWaalsContact O-N 3.12Å; L5-K7 PolarHBondContact O-N 3.48Å |
| 8 | I | 51.3 | Low | 45.6 | Very low | 110 Ų | 110 | 147.8 Ų | 147.8 | 56% | 0.564 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -113.9 | 11.1 | -178.4 | -27.3 | -179.9 | 0 | 0 | 0 | 112.2 | L10 | I8-L10 PolarHBondContact O-N 3.35Š|
| 9 | G | 48 | Very low | 45.3 | Very low | 68 Ų | 68 | 149.7 Ų | 149.7 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | S | Bend | trans | 66.8 | -6.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | I11 | G9-I11 VanDerWaalsContact C-N 3.26Å; G9-I11 PolarHBondContact O-N 3.16Å |
| 10 | L | 51.5 | Low | 44.7 | Very low | 150 Ų | 150 | 150.3 Ų | 150.3 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | trans | -71.5 | -8 | -169.8 | -93.5 | 157.3 | 0 | 0 | 0 | 115.9 | I8 | I8-L10 PolarHBondContact O-N 3.35Š| ||
| 11 | I | 42.3 | Very low | 44.7 | Very low | 113 Ų | 113 | 148.8 Ų | 148.8 | 58% | 0.579 | 76% | 0.757 | S | S | * | * | trans | -139.1 | 112.5 | 178 | -54.4 | 178.1 | 0 | 0 | 0 | 109.5 | G9 L13 | G9-I11 VanDerWaalsContact C-N 3.26Å; G9-I11 PolarHBondContact O-N 3.16Å; I11-L13 HydrophobicContact CG2-CD1 4.35Å; I11-L13 HydrophobicContact CG2-CG 3.88Å | ||
| 12 | R | 48.4 | Very low | 44.3 | Very low | 246 Ų | 246 | 148.7 Ų | 148.7 | 93% | 0.928 | 75% | 0.752 | S | S | * | * | trans | -92.4 | 103.4 | 156.7 | -83.3 | -170 | 177.2 | 154.6 | 0.2 | 108.9 | ||||
| 13 | L | 50.3 | Low | 44.3 | Very low | 148 Ų | 148 | 153.3 Ų | 153.3 | 78% | 0.775 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 139.6 | 152.9 | -71 | 171.2 | 0 | 0 | 0 | 107.1 | I11 D15 | I11-L13 HydrophobicContact CG2-CD1 4.35Å; I11-L13 HydrophobicContact CG2-CG 3.88Å; L13-D15 PolarHBondContact O-N 3.3Å |
| 14 | H | 44.8 | Very low | 43.6 | Very low | 189 Ų | 189 | 154.5 Ų | 154.5 | 88% | 0.875 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 121.5 | 163.8 | -69.9 | 99.9 | 0 | 0 | 0 | 107.2 | ||
| 15 | D | 42.8 | Very low | 42.8 | Very low | 138 Ų | 138 | 156.6 Ų | 156.6 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 138.2 | 159.7 | -88.4 | -65.3 | 0 | 0 | 0 | 108 | L13 | L13-D15 PolarHBondContact O-N 3.3Š|
| 16 | R | 35.7 | Very low | 42 | Very low | 223 Ų | 223 | 154.5 Ų | 154.5 | 84% | 0.842 | 77% | 0.77 | S | S | * | * | trans | -115.1 | 102.5 | 174.1 | -173.4 | 177.3 | 79.4 | 178 | 6 | 106.9 | ||||
| 17 | D | 36.6 | Very low | 41.3 | Very low | 146 Ų | 146 | 151 Ų | 151 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | trans | -52.9 | 145.5 | -179.3 | -59.3 | -77.3 | 0 | 0 | 0 | 111.8 | ||||
| 18 | T | 40.2 | Very low | 40.5 | Very low | 130 Ų | 130 | 148.9 Ų | 148.9 | 80% | 0.798 | 77% | 0.771 | S | S | * | * | trans | -146.8 | 117.9 | 162.6 | -58.1 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 19 | E | 39.3 | Very low | 39.7 | Very low | 183 Ų | 183 | 153.1 Ų | 153.1 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | trans | -79.8 | 159.8 | -170.8 | -53.3 | -159.7 | 121.5 | 0 | 0 | 112.6 | ||||
| 20 | D | 33.4 | Very low | 38.8 | Very low | 161 Ų | 161 | 153.1 Ų | 153.1 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | trans | -141.2 | 147.2 | 153.9 | -112.1 | -45.1 | 0 | 0 | 0 | 109.9 | ||||
| 21 | P | 46 | Very low | 37.9 | Very low | 119 Ų | 119 | 152.4 Ų | 152.4 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | trans | -98.5 | 176.7 | -153.2 | 38 | -38.1 | 0 | 0 | 0 | 117.1 | ||||
| 22 | K | 41.3 | Very low | 37.5 | Very low | 195 Ų | 195 | 157 Ų | 157 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | trans | -75.4 | 147.5 | -170.6 | -55.5 | 157.5 | -175.8 | 164.9 | 0 | 114.4 | ||||
| 23 | H | 37.7 | Very low | 36.6 | Very low | 170 Ų | 170 | 149.1 Ų | 149.1 | 79% | 0.787 | 80% | 0.799 | S | S | * | * | trans | -178.2 | 149.2 | 134.5 | -107.9 | -138.9 | 0 | 0 | 0 | 108.2 | ||||
| 24 | H | 34.6 | Very low | 35.7 | Very low | 133 Ų | 133 | 149.7 Ų | 149.7 | 62% | 0.616 | 80% | 0.802 | S | S | * | * | cis | -153.4 | 161.8 | -2.6 | -153 | 63.9 | 0 | 0 | 0 | 111 | ||||
| 25 | Q | 32 | Very low | 35.2 | Very low | 175 Ų | 175 | 148.6 Ų | 148.6 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -4.6 | 144.8 | 154 | -169.3 | -178.6 | 82.9 | 0 | 0 | 120.1 | ||||
| 26 | G | 29.1 | Very low | 34.9 | Very low | 68 Ų | 68 | 150.3 Ų | 150.3 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | cis | 157.7 | -179.5 | -5.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 27 | S | 32.2 | Very low | 34.7 | Very low | 114 Ų | 114 | 146.2 Ų | 146.2 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | 83.6 | 110.2 | 157.6 | -146.6 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 28 | L | 33.8 | Very low | 34.5 | Very low | 148 Ų | 148 | 146 Ų | 146 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | 159.5 | 151 | 112.9 | -82.4 | -179.2 | 0 | 0 | 0 | 116.5 | |||||
| 29 | K | 34.1 | Very low | 34.2 | Very low | 199 Ų | 199 | 143.8 Ų | 143.8 | 87% | 0.865 | 79% | 0.787 | S | S | * | * | trans | -20.9 | 154.2 | 169.4 | -55.5 | 162.9 | -178.8 | 175.4 | 0 | 119.2 | ||||
| 30 | G | 29.4 | Very low | 33.9 | Very low | 68 Ų | 68 | 141.3 Ų | 141.3 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | cis | 149 | 172.3 | -5.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 31 | T | 32.7 | Very low | 34 | Very low | 135 Ų | 135 | 142.1 Ų | 142.1 | 83% | 0.828 | 78% | 0.775 | S | S | * | * | trans | 97 | 108.7 | 158.2 | -24.6 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 32 | K | 33.2 | Very low | 33.3 | Very low | 210 Ų | 210 | 143.2 Ų | 143.2 | 91% | 0.913 | 77% | 0.77 | S | S | * | * | trans | 24.4 | 139.4 | 144.8 | -57.6 | -178.7 | 175.9 | -179.9 | 0 | 125 | ||||
| 33 | G | 30.3 | Very low | 32.6 | Very low | 80 Ų | 80 | 138.6 Ų | 138.6 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | trans | 103.8 | 154.4 | 136.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 34 | N | 31.1 | Very low | 32.2 | Very low | 160 Ų | 160 | 138 Ų | 138 | 86% | 0.856 | 76% | 0.759 | S | S | * | * | cis | -158.2 | 165.7 | -10.3 | -172.9 | 27.3 | 0 | 0 | 0 | 110.7 | ||||
| 35 | Q | 34.8 | Very low | 32 | Very low | 165 Ų | 165 | 138.1 Ų | 138.1 | 77% | 0.771 | 77% | 0.769 | S | S | * | * | trans | -78.7 | 151 | 172 | -63.9 | 175.2 | -18.1 | 0 | 0 | 113.2 | ||||
| 36 | K | 35 | Very low | 32 | Very low | 175 Ų | 175 | 134.1 Ų | 134.1 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | 172.8 | 141.7 | 118.7 | -102.7 | -175 | 174.4 | 178 | 0 | 115.2 | |||||
| 37 | N | 31.8 | Very low | 32 | Very low | 137 Ų | 137 | 137.5 Ų | 137.5 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | trans | 54.5 | 157.8 | 134.3 | -66.1 | 14.8 | 0 | 0 | 0 | 121.6 | ||||
| 38 | N | 31.9 | Very low | 32 | Very low | 142 Ų | 142 | 139 Ų | 139 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | cis | -176.6 | 165.3 | -20.2 | 177.3 | 31.5 | 0 | 0 | 0 | 107.9 | ||||
| 39 | A | 34.9 | Very low | 31.9 | Very low | 82 Ų | 82 | 136.6 Ų | 136.6 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | trans | 70.5 | 155 | 156.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 40 | N | 31.9 | Very low | 31.7 | Very low | 132 Ų | 132 | 133.4 Ų | 133.4 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | cis | -174.2 | 160.5 | -23.2 | -170.1 | 10.3 | 0 | 0 | 0 | 109.9 | ||||
| 41 | K | 36.3 | Very low | 31.9 | Very low | 178 Ų | 178 | 137.6 Ų | 137.6 | 77% | 0.774 | 75% | 0.751 | S | S | * | * | trans | 66.8 | 157.2 | 159.6 | -82.9 | 172.9 | -178.4 | -176.2 | 0 | 118.1 | ||||
| 42 | H | 31.3 | Very low | 31.7 | Very low | 142 Ų | 142 | 138 Ų | 138 | 66% | 0.657 | 75% | 0.748 | S | S | * | * | cis | -162.5 | 135.3 | -13.7 | 177 | 79.4 | 0 | 0 | 0 | 112.5 | ||||
| 43 | C | 26.7 | Very low | 31.6 | Very low | 98 Ų | 98 | 133.7 Ų | 133.7 | 66% | 0.662 | 74% | 0.744 | S | S | * | * | trans | 22.5 | 168.1 | 140.7 | -144.3 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 44 | Q | 29.9 | Very low | 31.7 | Very low | 157 Ų | 157 | 136 Ų | 136 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | trans | 89.6 | 141.1 | 168 | -53.1 | 179.7 | 35.6 | 0 | 0 | 116.3 | ||||
| 45 | T | 29.7 | Very low | 32.4 | Very low | 135 Ų | 135 | 134 Ų | 134 | 83% | 0.828 | 74% | 0.738 | S | S | * | * | cis | 136.3 | 102.3 | -21.8 | -68.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 46 | A | 32 | Very low | 32.1 | Very low | 91 Ų | 91 | 134.1 Ų | 134.1 | 75% | 0.752 | 74% | 0.739 | S | S | * | * | trans | -170.2 | 147.3 | 156.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 47 | N | 29.4 | Very low | 32.2 | Very low | 139 Ų | 139 | 132.4 Ų | 132.4 | 74% | 0.743 | 74% | 0.736 | S | S | * | * | cis | 64.9 | 129.8 | 39.7 | -92.1 | 51.3 | 0 | 0 | 0 | 112.5 | ||||
| 48 | E | 31.2 | Very low | 32.2 | Very low | 147 Ų | 147 | 135.6 Ų | 135.6 | 69% | 0.687 | 74% | 0.744 | S | S | * | * | cis | -150.2 | 140.8 | 20.1 | -73.7 | -137.1 | 141 | 0 | 0 | 113.1 | ||||
| 49 | T | 32.5 | Very low | 32.3 | Very low | 97 Ų | 97 | 133.1 Ų | 133.1 | 60% | 0.595 | 74% | 0.743 | S | S | * | * | 88 | 153.6 | 99.3 | 72.4 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 50 | N | 30.3 | Very low | 32.3 | Very low | 132 Ų | 132 | 141.3 Ų | 141.3 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | trans | 70.3 | 149.8 | 154.2 | -63.2 | -34.9 | 0 | 0 | 0 | 119.7 | ||||
| 51 | L | 32.1 | Very low | 32.3 | Very low | 155 Ų | 155 | 144 Ų | 144 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | cis | -155.6 | 173.7 | -15.4 | -120.6 | 168.3 | 0 | 0 | 0 | 112 | ||||
| 52 | L | 30 | Very low | 31.9 | Very low | 145 Ų | 145 | 141.7 Ų | 141.7 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | trans | -81.5 | 144.9 | -175.6 | 176.1 | 70.8 | 0 | 0 | 0 | 114.1 | ||||
| 53 | S | 30.3 | Very low | 31.9 | Very low | 119 Ų | 119 | 140.4 Ų | 140.4 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | trans | -161.9 | 123.3 | 160.3 | -81.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 54 | T | 33.1 | Very low | 32.1 | Very low | 128 Ų | 128 | 142.1 Ų | 142.1 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | trans | -129.1 | 160.4 | 154.4 | 45.2 | 0 | 0 | 0 | 0 | 106 | ||||
| 55 | P | 45.3 | Very low | 32.1 | Very low | 118 Ų | 118 | 143 Ų | 143 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | cis | -133.6 | -153.6 | 43.3 | 32.3 | -5.4 | 0 | 0 | 0 | 111.9 | ||||
| 56 | E | 28.5 | Very low | 32 | Very low | 168 Ų | 168 | 139.6 Ų | 139.6 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | cis | -162 | -172.1 | 29.7 | -143.3 | -153.4 | 129.3 | 0 | 0 | 114.9 | ||||
| 57 | I | 36.5 | Very low | 31.9 | Very low | 138 Ų | 138 | 144.1 Ų | 144.1 | 71% | 0.708 | 75% | 0.752 | S | S | * | * | trans | -97 | 148.7 | -163.2 | -64.2 | 160.1 | 0 | 0 | 0 | 113 | ||||
| 58 | K | 32.5 | Very low | 31.8 | Very low | 204 Ų | 204 | 143.6 Ų | 143.6 | 89% | 0.887 | 75% | 0.749 | S | S | * | * | trans | -159.8 | 142.4 | 144.4 | -110.6 | 138.9 | -166.2 | 156.4 | 0 | 114.5 | ||||
| 59 | A | 34.1 | Very low | 32 | Very low | 91 Ų | 91 | 146.9 Ų | 146.9 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | trans | -124.7 | 152.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 60 | R | 34.5 | Very low | 31.8 | Very low | 253 Ų | 253 | 151.7 Ų | 151.7 | 96% | 0.955 | 78% | 0.777 | S | S | * | * | trans | -146.2 | 164.1 | 167.8 | -75.2 | -161.1 | 170.1 | -169.3 | -3.4 | 111.5 | ||||
| 61 | K | 31.3 | Very low | 31.8 | Very low | 188 Ų | 188 | 148.9 Ų | 148.9 | 82% | 0.817 | 78% | 0.78 | S | S | * | * | trans | -154 | 155.8 | -167.1 | -170.8 | -164.4 | 171.7 | -177 | 0 | 109.6 | ||||
| 62 | L | 29.5 | Very low | 31.9 | Very low | 131 Ų | 131 | 151.5 Ų | 151.5 | 69% | 0.686 | 78% | 0.784 | S | S | * | * | trans | 67.2 | 155.8 | -178.6 | -90.3 | 60.8 | 0 | 0 | 0 | 113.2 | ||||
| 63 | D | 30.3 | Very low | 31.9 | Very low | 115 Ų | 115 | 152.7 Ų | 152.7 | 62% | 0.615 | 79% | 0.791 | S | S | * | * | cis | -164.4 | 172.6 | 4.7 | -122.3 | -12.9 | 0 | 0 | 0 | 109.7 | ||||
| 64 | Q | 31.4 | Very low | 32.1 | Very low | 133 Ų | 133 | 151.5 Ų | 151.5 | 62% | 0.621 | 79% | 0.789 | S | S | * | * | cis | -164.9 | 168.5 | -17.4 | -148.4 | 178 | 99 | 0 | 0 | 110.3 | ||||
| 65 | H | 29.8 | Very low | 32.1 | Very low | 175 Ų | 175 | 154.6 Ų | 154.6 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | trans | 62.9 | 157 | 164.7 | -89.5 | 76.7 | 0 | 0 | 0 | 117.6 | ||||
| 66 | G | 27.1 | Very low | 31.3 | Very low | 64 Ų | 64 | 156.7 Ų | 156.7 | 66% | 0.66 | 79% | 0.791 | S | S | * | * | cis | 174.4 | 175.1 | -8.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 67 | K | 29.9 | Very low | 31.5 | Very low | 186 Ų | 186 | 158.8 Ų | 158.8 | 81% | 0.809 | 80% | 0.798 | S | S | * | * | trans | 83.6 | 115 | 167.5 | -69 | -160.6 | 160.2 | -163.5 | 0 | 123.1 | ||||
| 68 | D | 27.8 | Very low | 31.3 | Very low | 129 Ų | 129 | 160.1 Ų | 160.1 | 69% | 0.69 | 80% | 0.801 | S | S | * | * | 60.8 | 115.3 | 120.9 | -46.1 | -22.4 | 0 | 0 | 0 | 122.6 | |||||
| 69 | K | 34.3 | Very low | 31.3 | Very low | 215 Ų | 215 | 159.1 Ų | 159.1 | 94% | 0.935 | 80% | 0.799 | S | S | * | * | -157.5 | 143.4 | 122.4 | -115.6 | 167.8 | -172.8 | 173.8 | 0 | 113.3 | |||||
| 70 | Q | 29.3 | Very low | 31.2 | Very low | 198 Ų | 198 | 160.3 Ų | 160.3 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | trans | -86.7 | 145.9 | -179.3 | -68.4 | 164.9 | -40.2 | 0 | 0 | 112.1 | ||||
| 71 | G | 31.2 | Very low | 31.1 | Very low | 74 Ų | 74 | 155.7 Ų | 155.7 | 76% | 0.763 | 80% | 0.797 | S | S | * | * | trans | -127.3 | 146 | 159.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 72 | K | 32.2 | Very low | 31.1 | Very low | 209 Ų | 209 | 150.3 Ų | 150.3 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | trans | -102.4 | 128.8 | -176 | -68.4 | 177.2 | 177.3 | 177.3 | 0 | 111.2 | ||||
| 73 | D | 30.3 | Very low | 31.2 | Very low | 170 Ų | 170 | 148.2 Ų | 148.2 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | trans | -73.7 | 141.6 | 164 | -73.4 | -68.6 | 0 | 0 | 0 | 111.6 | ||||
| 74 | A | 34.8 | Very low | 31.1 | Very low | 94 Ų | 94 | 146.9 Ų | 146.9 | 78% | 0.777 | 82% | 0.818 | S | S | * | * | trans | -145.8 | 82.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 75 | K | 32.9 | Very low | 31.1 | Very low | 193 Ų | 193 | 144.5 Ų | 144.5 | 84% | 0.839 | 83% | 0.829 | S | S | * | * | trans | 47.5 | 96.4 | 140.3 | -164.1 | 169.8 | -174.6 | 170.8 | 0 | 118.5 | ||||
| 76 | E | 29.7 | Very low | 31.1 | Very low | 162 Ų | 162 | 140 Ų | 140 | 76% | 0.757 | 83% | 0.83 | S | S | * | * | 29 | 124.9 | 118.9 | -168.8 | -170.4 | 137.9 | 0 | 0 | 118.6 | |||||
| 77 | K | 31.3 | Very low | 31.2 | Very low | 213 Ų | 213 | 141.1 Ų | 141.1 | 93% | 0.926 | 84% | 0.842 | S | S | * | * | trans | -138.7 | 134.9 | 155.4 | -136 | -179.1 | -174.2 | -175 | 0 | 112.3 | ||||
| 78 | Q | 33.3 | Very low | 31.2 | Very low | 165 Ų | 165 | 136.3 Ų | 136.3 | 77% | 0.771 | 85% | 0.845 | S | S | * | * | trans | -100.1 | 143.8 | -174.2 | -169.6 | 179.6 | 30.7 | 0 | 0 | 110.6 | ||||
| 79 | Q | 32.8 | Very low | 31.3 | Very low | 184 Ų | 184 | 134 Ų | 134 | 86% | 0.86 | 85% | 0.852 | S | S | * | * | trans | -148.7 | 83.7 | 177 | -153.3 | 165.5 | 13.3 | 0 | 0 | 108.8 | ||||
| 80 | T | 31.2 | Very low | 31.1 | Very low | 116 Ų | 116 | 128 Ų | 128 | 71% | 0.712 | 85% | 0.85 | S | S | * | * | 73.5 | 127.5 | 88.2 | 61 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 81 | V | 33.5 | Very low | 31.1 | Very low | 156 Ų | 156 | 122.4 Ų | 122.4 | 95% | 0.945 | 85% | 0.846 | S | S | * | * | trans | -85.2 | 144.2 | -174.5 | 176.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 82 | G | 31.3 | Very low | 31 | Very low | 75 Ų | 75 | 123.1 Ų | 123.1 | 77% | 0.773 | 85% | 0.853 | S | S | * | * | trans | -158.6 | 143.6 | 156.6 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 83 | G | 30.8 | Very low | 31 | Very low | 86 Ų | 86 | 117.2 Ų | 117.2 | 89% | 0.887 | 85% | 0.852 | S | S | * | * | cis | 139.8 | 70.9 | 4.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 84 | G | 29.2 | Very low | 31 | Very low | 87 Ų | 87 | 113.1 Ų | 113.1 | 90% | 0.897 | 85% | 0.85 | S | S | * | * | trans | -126.9 | 123.4 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 85 | G | 30.1 | Very low | 31 | Very low | 84 Ų | 84 | 112.3 Ų | 112.3 | 87% | 0.866 | 85% | 0.851 | S | S | * | * | trans | -165.5 | 158.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 86 | G | 30.5 | Very low | 31.2 | Very low | 79 Ų | 79 | 109.2 Ų | 109.2 | 81% | 0.814 | 85% | 0.853 | S | S | * | * | cis | -177.7 | -168.4 | -0.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 87 | G | 28.9 | Very low | 31.9 | Very low | 89 Ų | 89 | 111.8 Ų | 111.8 | 92% | 0.918 | 86% | 0.862 | S | S | * | * | trans | 85.4 | 147.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 88 | G | 29.6 | Very low | 32.1 | Very low | 85 Ų | 85 | 105.9 Ų | 105.9 | 88% | 0.876 | 85% | 0.853 | S | S | * | * | cis | 138 | 141.9 | 2.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 89 | G | 30.6 | Very low | 32.8 | Very low | 80 Ų | 80 | 104.2 Ų | 104.2 | 83% | 0.825 | 86% | 0.86 | S | S | * | * | cis | 179.9 | 168.9 | -4.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 90 | G | 29.7 | Very low | 33 | Very low | 88 Ų | 88 | 100.6 Ų | 100.6 | 91% | 0.907 | 86% | 0.855 | S | S | * | * | trans | 77.9 | 160.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 91 | G | 29.6 | Very low | 33.7 | Very low | 81 Ų | 81 | 99.5 Ų | 99.5 | 84% | 0.835 | 86% | 0.857 | S | S | * | * | cis | 168.1 | 154.5 | -5.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 92 | G | 29.9 | Very low | 34 | Very low | 89 Ų | 89 | 97.6 Ų | 97.6 | 92% | 0.918 | 85% | 0.851 | S | S | * | * | trans | 113.3 | 129.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 93 | G | 31.6 | Very low | 34.7 | Very low | 86 Ų | 86 | 99.3 Ų | 99.3 | 89% | 0.887 | 85% | 0.851 | S | S | * | * | trans | -120 | 166.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 94 | G | 30.5 | Very low | 36 | Very low | 84 Ų | 84 | 101.1 Ų | 101.1 | 87% | 0.866 | 85% | 0.845 | S | S | * | * | trans | -177.4 | 113.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 95 | G | 35.3 | Very low | 37.3 | Very low | 77 Ų | 77 | 101.8 Ų | 101.8 | 79% | 0.794 | 83% | 0.833 | S | S | * | * | trans | -92.4 | 151.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 96 | S | 36.3 | Very low | 38.4 | Very low | 127 Ų | 127 | 103.8 Ų | 103.8 | 89% | 0.888 | 83% | 0.831 | S | S | * | * | trans | -156.3 | 142.5 | 160.7 | -83.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 97 | K | 43.5 | Very low | 39.7 | Very low | 216 Ų | 216 | 105.6 Ų | 105.6 | 94% | 0.939 | 82% | 0.821 | S | S | * | * | trans | -82.3 | 130.2 | 176 | -63.9 | 178.8 | -179 | 176.6 | 0 | 109.6 | ||||
| 98 | A | 37 | Very low | 41 | Very low | 90 Ų | 90 | 104.3 Ų | 104.3 | 74% | 0.744 | 80% | 0.802 | S | S | * | * | trans | -147 | 102.9 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | S100 | A98-S100 PolarHBondContact O-N 2.99Š| ||
| 99 | S | 46.4 | Very low | 42.4 | Very low | 129 Ų | 129 | 105.4 Ų | 105.4 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | trans | -82.6 | 85.4 | 172.4 | 51.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 100 | S | 38.8 | Very low | 43.6 | Very low | 109 Ų | 109 | 109.3 Ų | 109.3 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | trans | -81.4 | 120.6 | 171.7 | 43.8 | 0 | 0 | 0 | 0 | 110.5 | A98 S102 | A98-S100 PolarHBondContact O-N 2.99Å; S100-S102 PolarHBondContact O-N 3.45Å | ||
| 101 | A | 44.4 | Very low | 44.9 | Very low | 92 Ų | 92 | 113.3 Ų | 113.3 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | -65.5 | 130 | 170 | 0 | 0 | 0 | 0 | 0 | 109.5 | S103 | A101-S103 VanDerWaalsContact C-N 3.27Å; A101-S103 PolarHBondContact O-N 3.06Å | ||
| 102 | S | 41.1 | Very low | 46.4 | Very low | 116 Ų | 116 | 115.2 Ų | 115.2 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | trans | -75 | 76.9 | -179.5 | 41 | 0 | 0 | 0 | 0 | 111.5 | S100 V104 | S100-S102 PolarHBondContact O-N 3.45Å; S102-V104 PolarHBondContact O-N 3.42Å | ||
| 103 | S | 44.4 | Very low | 48 | Very low | 111 Ų | 111 | 116.9 Ų | 116.9 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | trans | -62.3 | 94 | 170.3 | 60 | 0 | 0 | 0 | 0 | 110.3 | A101 P105 | A101-S103 VanDerWaalsContact C-N 3.27Å; A101-S103 PolarHBondContact O-N 3.06Å; S103-P105 WeakPolarHBondContact O-CD 3.46Å | ||
| 104 | V | 58 | Low | 49.6 | Very low | 125 Ų | 125 | 114.3 Ų | 114.3 | 76% | 0.758 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 120.8 | 174.7 | -178.2 | 0 | 0 | 0 | 0 | 108.2 | S102 | S102-V104 PolarHBondContact O-N 3.42Š|
| 105 | P | 57.7 | Low | 51.6 | Low | 101 Ų | 101 | 113.5 Ų | 113.5 | 66% | 0.656 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 138.2 | -177.5 | 25.6 | -33.6 | 0 | 0 | 0 | 110.2 | S103 L107 | S103-P105 WeakPolarHBondContact O-CD 3.46Å; P105-L107 PolarHBondContact O-N 3.45Å; P105-L107 VanDerWaalsContact O-N 3.16Å |
| 106 | P | 53.4 | Low | 54 | Low | 126 Ų | 126 | 114.6 Ų | 114.6 | 82% | 0.818 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -56 | 121.3 | 178.9 | -27 | 35.2 | 0 | 0 | 0 | 111.9 | A108 | P106-A108 PolarHBondContact O-N 3Š|
| 107 | L | 58 | Low | 56.8 | Low | 116 Ų | 116 | 110.5 Ų | 110.5 | 61% | 0.607 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -61 | 126.7 | 176.7 | -72.3 | 170.9 | 0 | 0 | 0 | 110 | P105 Q112 | P105-L107 PolarHBondContact O-N 3.45Å; P105-L107 VanDerWaalsContact O-N 3.16Å; L107-Q112 PolarHBondContact O-NE2 2.9Å |
| 108 | A | 55.6 | Low | 59.3 | Low | 63 Ų | 63 | 101.3 Ų | 101.3 | 52% | 0.521 | 61% | 0.608 | S | S | . | * | P | Polyproline II helix | trans | -49.6 | 134.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | P106 H110 R111 | P106-A108 PolarHBondContact O-N 3Å; A108-H110 PolarHBondContact O-N 3.05Å; A108-R111 PolarHBondContact O-N 3.37Å |
| 109 | P | 57.7 | Low | 62.1 | Low | 107 Ų | 107 | 98.9 Ų | 98.9 | 70% | 0.695 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -58.6 | -27.5 | -163 | 19.5 | -32.8 | 0 | 0 | 0 | 114.2 | R111 Q112 H113 | P109-R111 VanDerWaalsContact C-N 3.28Å; P109-R111 PolarHBondContact O-N 3.02Å; P109-Q112 PolarHBondContact O-N 3.1Å; P109-H113 PolarHBondContact O-N 3.14Å |
| 110 | H | 57.7 | Low | 64.5 | Low | 163 Ų | 163 | 100.6 Ų | 100.6 | 76% | 0.755 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -59.2 | -34.3 | 176.3 | -161.1 | 76.1 | 0 | 0 | 0 | 113.4 | A108 C114 | A108-H110 PolarHBondContact O-N 3.05Å; H110-C114 PolarHBondContact O-N 3.14Å |
| 111 | R | 55.8 | Low | 67.3 | Low | 172 Ų | 172 | 97.6 Ų | 97.6 | 65% | 0.649 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -73.7 | -28.3 | 177.3 | -80.2 | -169.6 | 170.5 | -157.7 | -2.9 | 113.7 | A108 P109 C114 T115 | A108-R111 PolarHBondContact O-N 3.37Å; P109-R111 VanDerWaalsContact C-N 3.28Å; P109-R111 PolarHBondContact O-N 3.02Å; R111-C114 PolarHBondContact O-SG 3.46Å; R111-T115 PolarHBondContact O-OG1 3.32Å |
| 112 | Q | 61.6 | Low | 69.9 | Low | 120 Ų | 120 | 93.2 Ų | 93.2 | 56% | 0.561 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -70.2 | -43 | 178 | -60.4 | -177.7 | -2.4 | 0 | 0 | 110 | L107 P109 Q116 | L107-Q112 PolarHBondContact O-NE2 2.9Å; P109-Q112 PolarHBondContact O-N 3.1Å; Q112-Q116 PolarHBondContact O-N 3.43Å; Q112-Q116 VanDerWaalsContact O-N 3.12Å |
| 113 | H | 64.1 | Low | 72.6 | Confident | 125 Ų | 125 | 92.2 Ų | 92.2 | 58% | 0.579 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.5 | -46 | -178.3 | -171.2 | -102.2 | 0 | 0 | 0 | 113.7 | P109 T115 Q116 V117 | P109-H113 PolarHBondContact O-N 3.14Å; H113-T115 PolarHBondContact O-N 2.98Å; H113-Q116 PolarHBondContact O-N 2.99Å; H113-V117 PolarHBondContact O-N 3.2Å |
| 114 | C | 65.1 | Low | 75.1 | Confident | 31 Ų | 31 | 92.6 Ų | 92.6 | 21% | 0.209 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -64.2 | -40.2 | 179.6 | 62.1 | 0 | 0 | 0 | 0 | 112.4 | H110 R111 Q116 V117 R118 | H110-C114 PolarHBondContact O-N 3.14Å; R111-C114 PolarHBondContact O-SG 3.46Å; C114-Q116 VanDerWaalsContact C-N 3.32Å; C114-Q116 PolarHBondContact O-N 2.71Å; C114-V117 PolarHBondContact O-N 3.18Å; C114-R118 PolarHBondContact O-N 2.64Å |
| 115 | T | 71.4 | Confident | 77 | Confident | 67 Ų | 67 | 87 Ų | 87 | 41% | 0.411 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59 | -43.3 | 174.6 | -53 | 0 | 0 | 0 | 0 | 111.4 | R111 H113 V117 R118 T119 | R111-T115 PolarHBondContact O-OG1 3.32Å; H113-T115 PolarHBondContact O-N 2.98Å; T115-V117 PolarHBondContact O-N 3.4Å; T115-R118 PolarHBondContact O-N 2.95Å; T115-T119 WeakPolarHBondContact O-CB 3.22Å; T115-T119 PolarHBondContact O-N 2.79Å; T115-T119 PolarHBondContact O-OG1 3.18Å |
| 116 | Q | 86 | Confident | 78.9 | Confident | 101 Ų | 101 | 83.2 Ų | 83.2 | 47% | 0.472 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.5 | -38.1 | 176.9 | 179.4 | 169.9 | -30.7 | 0 | 0 | 112.9 | Q112 H113 C114 R120 | Q112-Q116 PolarHBondContact O-N 3.43Å; Q112-Q116 VanDerWaalsContact O-N 3.12Å; H113-Q116 PolarHBondContact O-N 2.99Å; C114-Q116 VanDerWaalsContact C-N 3.32Å; C114-Q116 PolarHBondContact O-N 2.71Å; Q116-R120 VanDerWaalsContact O-CB 3.32Å; Q116-R120 WeakPolarHBondContact O-CB 3.4Å; Q116-R120 VanDerWaalsContact O-CG 3.23Å; Q116-R120 WeakPolarHBondContact O-CG 3.49Å; Q116-R120 PolarHBondContact O-N 3.16Å; Q116-R120 VanDerWaalsContact O-N 3.11Å |
| 117 | V | 94.5 | Very high | 81 | Confident | 41 Ų | 41 | 83.2 Ų | 83.2 | 25% | 0.248 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -65.8 | -48.6 | 174.9 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | H113 C114 T115 R120 R121 F186 | H113-V117 PolarHBondContact O-N 3.2Å; C114-V117 PolarHBondContact O-N 3.18Å; T115-V117 PolarHBondContact O-N 3.4Å; V117-R120 PolarHBondContact O-N 2.84Å; V117-R121 WeakPolarHBondContact O-CB 3.4Å; V117-R121 PolarHBondContact O-N 3.22Å; V117-F186 HydrophobicContact CG1-CE2 4.02Å; V117-F186 HydrophobicContact CG1-CZ 4.26Å |
| 118 | R | 95.6 | Very high | 82.8 | Confident | 22 Ų | 22 | 80.4 Ų | 80.4 | 8% | 0.083 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -55.5 | -53.9 | 178 | 177.5 | -179.1 | 178.9 | -159.6 | 18.1 | 111.8 | C114 T115 R121 L122 F147 F180 P181 D182 F184 | C114-R118 PolarHBondContact O-N 2.64Å; T115-R118 PolarHBondContact O-N 2.95Å; R118-R121 PolarHBondContact O-N 2.94Å; R118-L122 HydrophobicContact CG-CD1 3.8Å; R118-L122 WeakPolarHBondContact O-CG 3.23Å; R118-L122 PolarHBondContact O-N 3.47Å; R118-F147 HydrophobicContact CG-CD1 4.12Å; R118-F147 HydrophobicContact CG-CE1 3.94Å; R118-F147 VanDerWaalsContact CZ-CD1 3.47Å; R118-F180 PolarHBondContact NH2-O 2.78Å; R118-P181 WeakPolarHBondContact CD-O 3.29Å; R118-P181 PolarHBondContact NE-O 3.13Å; R118-P181 VanDerWaalsContact NE-O 3.08Å; R118-D182 IonicContact CZ-OD1 3.34Å; R118-D182 IonicContact NH1-OD1 2.69Å; R118-D182 PolarHBondContact NH1-OD1 3.25Å; R118-D182 IonicContact NH2-OD1 3.11Å; R118-D182 PolarHBondContact NH2-OD1 3.07Å; R118-D182 VanDerWaalsContact NH2-OD1 3.1Å; R118-F184 WeakPolarHBondContact CA-O 3.36Å; R118-F184 WeakPolarHBondContact CB-O 3.31Å; R118-F184 HydrophobicContact CG-CB 4.33Å |
| 119 | T | 97.1 | Very high | 84.7 | Confident | 39 Ų | 39 | 78.4 Ų | 78.4 | 24% | 0.239 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.3 | -46.8 | -179.9 | -65.9 | 0 | 0 | 0 | 0 | 112 | T115 R121 L122 M123 L146 | T115-T119 WeakPolarHBondContact O-CB 3.22Å; T115-T119 PolarHBondContact O-N 2.79Å; T115-T119 PolarHBondContact O-OG1 3.18Å; T119-R121 VanDerWaalsContact C-N 3.32Å; T119-R121 PolarHBondContact O-N 3.03Å; T119-L122 PolarHBondContact O-N 2.95Å; T119-M123 HydrophobicContact CG2-CE 4.02Å; T119-M123 HydrophobicContact CG2-SD 4.35Å; T119-M123 WeakPolarHBondContact O-CG 3.36Å; T119-M123 PolarHBondContact O-N 3.05Å; T119-L146 HydrophobicContact CG2-CD2 3.84Å |
| 120 | R | 97 | Very high | 86.4 | Confident | 165 Ų | 165 | 82.1 Ų | 82.1 | 62% | 0.623 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -61.3 | -39.2 | 176.8 | -74.7 | 175 | 179.4 | -118.3 | 2.2 | 112.3 | Q116 V117 M123 K124 | Q116-R120 VanDerWaalsContact O-CB 3.32Å; Q116-R120 WeakPolarHBondContact O-CB 3.4Å; Q116-R120 VanDerWaalsContact O-CG 3.23Å; Q116-R120 WeakPolarHBondContact O-CG 3.49Å; Q116-R120 PolarHBondContact O-N 3.16Å; Q116-R120 VanDerWaalsContact O-N 3.11Å; V117-R120 PolarHBondContact O-N 2.84Å; R120-M123 HydrophobicContact CG-CE 4.49Å; R120-K124 PolarHBondContact O-N 2.97Å |
| 121 | R | 98 | Very high | 88.2 | Confident | 46 Ų | 46 | 82 Ų | 82 | 17% | 0.174 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.6 | -47.3 | 177.2 | -179.7 | 59.8 | -174.4 | -81.8 | -5.7 | 111.7 | V117 R118 T119 M123 K124 E125 F184 P185 S221 Y223 | V117-R121 WeakPolarHBondContact O-CB 3.4Å; V117-R121 PolarHBondContact O-N 3.22Å; R118-R121 PolarHBondContact O-N 2.94Å; T119-R121 VanDerWaalsContact C-N 3.32Å; T119-R121 PolarHBondContact O-N 3.03Å; R121-M123 PolarHBondContact O-N 2.67Å; R121-K124 WeakPolarHBondContact O-CB 3.43Å; R121-K124 PolarHBondContact O-N 2.92Å; R121-K124 VanDerWaalsContact O-N 3.12Å; R121-E125 IonicContact CZ-OE1 3.97Å; R121-E125 IonicContact NE-OE1 3.05Å; R121-E125 PolarHBondContact NE-OE1 2.72Å; R121-E125 IonicContact NH2-OE1 3.97Å; R121-E125 PolarHBondContact NH2-OE1 2.79Å; R121-E125 WeakPolarHBondContact O-CG 3.23Å; R121-E125 PolarHBondContact O-N 3.43Å; R121-F184 HydrophobicContact CB-CE1 4.3Å; R121-F184 HydrophobicContact CG-CD1 4.35Å; R121-F184 HydrophobicContact CG-CE1 3.64Å; R121-F184 HydrophobicContact CG-CZ 4.31Å; R121-P185 HydrophobicContact CG-CB 4.16Å; R121-P185 HydrophobicContact CG-CG 4.11Å; R121-S221 PolarHBondContact NH1-O 2.92Å; R121-S221 PolarHBondContact NH2-O 2.9Å; R121-Y223 PolarHBondContact NH2-O 3.49Å |
| 122 | L | 98.4 | Very high | 90 | Very high | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.6 | -38.9 | -177.6 | -70.3 | 166.9 | 0 | 0 | 0 | 112.7 | R118 T119 K124 E125 L126 L146 F147 W149 F180 F184 | R118-L122 HydrophobicContact CG-CD1 3.8Å; R118-L122 WeakPolarHBondContact O-CG 3.23Å; R118-L122 PolarHBondContact O-N 3.47Å; T119-L122 PolarHBondContact O-N 2.95Å; L122-K124 VanDerWaalsContact C-N 3.3Å; L122-K124 PolarHBondContact O-N 2.66Å; L122-E125 PolarHBondContact O-N 3.11Å; L122-L126 WeakPolarHBondContact O-CG 3.27Å; L122-L126 PolarHBondContact O-N 2.7Å; L122-L146 HydrophobicContact CB-CD1 3.9Å; L122-L146 HydrophobicContact CB-CD2 4.4Å; L122-L146 HydrophobicContact CB-CG 4.01Å; L122-L146 HydrophobicContact CD1-CG 4.42Å; L122-F147 HydrophobicContact CD1-CD1 3.57Å; L122-F147 HydrophobicContact CD1-CE1 4.02Å; L122-W149 HydrophobicContact CB-CZ2 4.24Å; L122-W149 HydrophobicContact CD2-CH2 4.22Å; L122-W149 HydrophobicContact CD2-CZ2 3.76Å; L122-F180 HydrophobicContact CD1-CB 4.18Å; L122-F180 HydrophobicContact CD1-CD2 4.46Å; L122-F180 HydrophobicContact CD1-CG 4.26Å; L122-F180 HydrophobicContact CD2-CB 4.29Å; L122-F180 HydrophobicContact CD2-CD1 3.5Å; L122-F180 HydrophobicContact CD2-CD2 3.73Å; L122-F180 HydrophobicContact CD2-CE1 3.61Å; L122-F180 HydrophobicContact CD2-CE2 3.87Å; L122-F180 HydrophobicContact CD2-CG 3.55Å; L122-F180 HydrophobicContact CD2-CZ 3.79Å; L122-F184 HydrophobicContact CD1-CD1 4.33Å; L122-F184 HydrophobicContact CD2-CD1 3.83Å; L122-F184 HydrophobicContact CD2-CE1 3.42Å; L122-F184 VanDerWaalsContact CD2-CE1 3.42Å; L122-F184 HydrophobicContact CD2-CZ 4.16Å; L122-F184 HydrophobicContact CG-CD1 3.9Å; L122-F184 HydrophobicContact CG-CE1 3.8Å |
| 123 | M | 97.4 | Very high | 91.1 | Very high | 95 Ų | 95 | 73.9 Ų | 73.9 | 47% | 0.468 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.9 | -38.9 | 171.7 | -68.5 | -173.4 | -56.9 | 0 | 0 | 112.1 | T119 R120 R121 Q127 L146 | T119-M123 HydrophobicContact CG2-CE 4.02Å; T119-M123 HydrophobicContact CG2-SD 4.35Å; T119-M123 WeakPolarHBondContact O-CG 3.36Å; T119-M123 PolarHBondContact O-N 3.05Å; R120-M123 HydrophobicContact CG-CE 4.49Å; R121-M123 PolarHBondContact O-N 2.67Å; M123-Q127 WeakPolarHBondContact O-CB 3.31Å; M123-Q127 PolarHBondContact O-N 3.36Å; M123-L146 HydrophobicContact CG-CD2 4.05Å |
| 124 | K | 97.8 | Very high | 92.3 | Very high | 119 Ų | 119 | 71.1 Ų | 71.1 | 52% | 0.517 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.4 | -45.3 | 174.5 | -175.1 | 176.9 | 178.4 | -179.1 | 0 | 112 | R120 R121 L122 L126 Q127 E128 | R120-K124 PolarHBondContact O-N 2.97Å; R121-K124 WeakPolarHBondContact O-CB 3.43Å; R121-K124 PolarHBondContact O-N 2.92Å; R121-K124 VanDerWaalsContact O-N 3.12Å; L122-K124 VanDerWaalsContact C-N 3.3Å; L122-K124 PolarHBondContact O-N 2.66Å; K124-L126 VanDerWaalsContact C-N 3.34Å; K124-L126 PolarHBondContact O-N 2.79Å; K124-Q127 WeakPolarHBondContact O-CB 3.41Å; K124-Q127 PolarHBondContact O-N 2.69Å; K124-E128 HydrophobicContact CG-CG 4.22Å; K124-E128 WeakPolarHBondContact O-CG 3.4Å; K124-E128 PolarHBondContact O-N 2.99Å |
| 125 | E | 98.1 | Very high | 93.5 | Very high | 7 Ų | 7 | 75.1 Ų | 75.1 | 3% | 0.033 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -57.5 | -46.2 | 176.4 | -66 | -67 | 146.7 | 0 | 0 | 111.4 | R121 L122 Q127 E128 I129 W149 T224 V225 | R121-E125 IonicContact CZ-OE1 3.97Å; R121-E125 IonicContact NE-OE1 3.05Å; R121-E125 PolarHBondContact NE-OE1 2.72Å; R121-E125 IonicContact NH2-OE1 3.97Å; R121-E125 PolarHBondContact NH2-OE1 2.79Å; R121-E125 WeakPolarHBondContact O-CG 3.23Å; R121-E125 PolarHBondContact O-N 3.43Å; L122-E125 PolarHBondContact O-N 3.11Å; E125-Q127 VanDerWaalsContact C-N 3.27Å; E125-Q127 PolarHBondContact O-N 3.38Å; E125-E128 PolarHBondContact O-N 3.37Å; E125-I129 WeakPolarHBondContact O-CB 3.48Å; E125-I129 VanDerWaalsContact O-CG1 3.27Å; E125-I129 WeakPolarHBondContact O-CG1 3.43Å; E125-I129 PolarHBondContact O-N 2.88Å; E125-W149 HydrophobicContact CB-CH2 3.9Å; E125-T224 VanDerWaalsContact OE2-CA 3.32Å; E125-T224 WeakPolarHBondContact OE2-CA 3.13Å; E125-T224 WeakPolarHBondContact OE2-CB 3.48Å; E125-V225 HydrophobicContact CB-CG2 4.23Å; E125-V225 HydrophobicContact CG-CG2 4.01Å; E125-V225 PolarHBondContact OE2-N 3.41Å |
| 126 | L | 97.1 | Very high | 94.7 | Very high | 22 Ų | 22 | 73 Ų | 73 | 12% | 0.115 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.5 | -30.2 | 174.5 | -69.5 | 174.4 | 0 | 0 | 0 | 113.3 | L122 K124 R130 V139 L141 L146 W149 | L122-L126 WeakPolarHBondContact O-CG 3.27Å; L122-L126 PolarHBondContact O-N 2.7Å; K124-L126 VanDerWaalsContact C-N 3.34Å; K124-L126 PolarHBondContact O-N 2.79Å; L126-R130 WeakPolarHBondContact O-CB 3.48Å; L126-R130 WeakPolarHBondContact O-CG 3.33Å; L126-R130 PolarHBondContact O-N 2.74Å; L126-R130 PolarHBondContact O-NE 3Å; L126-V139 HydrophobicContact CD2-CB 4.36Å; L126-V139 HydrophobicContact CD2-CG1 3.7Å; L126-L141 HydrophobicContact CD1-CD2 4.24Å; L126-L146 HydrophobicContact CD1-CD1 3.52Å; L126-W149 HydrophobicContact CD1-CZ2 3.96Å; L126-W149 HydrophobicContact CD2-CD2 4.22Å; L126-W149 HydrophobicContact CD2-CE3 4.18Å; L126-W149 HydrophobicContact CD2-CH2 3.53Å; L126-W149 HydrophobicContact CD2-CZ2 3.57Å; L126-W149 HydrophobicContact CD2-CZ3 3.84Å; L126-W149 HydrophobicContact CG-CH2 3.61Å; L126-W149 HydrophobicContact CG-CZ2 3.48Å; L126-W149 VanDerWaalsContact CG-CZ2 3.48Å; L126-W149 HydrophobicContact CG-CZ3 4.41Å |
| 127 | Q | 96.9 | Very high | 95.2 | Very high | 126 Ų | 126 | 68.9 Ų | 68.9 | 59% | 0.589 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -74.3 | -45.7 | 176.3 | -173.5 | 175.3 | 1.5 | 0 | 0 | 111.3 | M123 K124 E125 R130 R131 | M123-Q127 WeakPolarHBondContact O-CB 3.31Å; M123-Q127 PolarHBondContact O-N 3.36Å; K124-Q127 WeakPolarHBondContact O-CB 3.41Å; K124-Q127 PolarHBondContact O-N 2.69Å; E125-Q127 VanDerWaalsContact C-N 3.27Å; E125-Q127 PolarHBondContact O-N 3.38Å; Q127-R130 PolarHBondContact O-N 2.73Å; Q127-R131 WeakPolarHBondContact O-CB 3.48Å; Q127-R131 PolarHBondContact O-N 3.35Å |
| 128 | E | 95.8 | Very high | 95.3 | Very high | 58 Ų | 58 | 69.4 Ų | 69.4 | 27% | 0.271 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.6 | -43 | 178.3 | -65.9 | -60.6 | 157.1 | 0 | 0 | 112 | K124 E125 R130 R131 L132 | K124-E128 HydrophobicContact CG-CG 4.22Å; K124-E128 WeakPolarHBondContact O-CG 3.4Å; K124-E128 PolarHBondContact O-N 2.99Å; E125-E128 PolarHBondContact O-N 3.37Å; E128-R130 VanDerWaalsContact C-N 3.33Å; E128-R130 PolarHBondContact O-N 2.84Å; E128-R131 WeakPolarHBondContact O-CB 3.27Å; E128-R131 PolarHBondContact O-N 3.47Å; E128-R131 VanDerWaalsContact O-N 3.1Å; E128-R131 IonicContact OE2-CZ 3.29Å; E128-R131 IonicContact OE2-NE 3.05Å; E128-R131 PolarHBondContact OE2-NE 2.88Å; E128-R131 IonicContact OE2-NH2 2.7Å; E128-R131 PolarHBondContact OE2-NH2 2.85Å; E128-L132 WeakPolarHBondContact O-CG 3.21Å; E128-L132 PolarHBondContact O-N 2.87Å |
| 129 | I | 96.1 | Very high | 95.4 | Very high | 20 Ų | 20 | 70 Ų | 70 | 10% | 0.103 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58.2 | -45.8 | 175.7 | -69.8 | 166.9 | 0 | 0 | 0 | 110.8 | E125 R131 L132 I137 V139 W149 V225 E226 | E125-I129 WeakPolarHBondContact O-CB 3.48Å; E125-I129 VanDerWaalsContact O-CG1 3.27Å; E125-I129 WeakPolarHBondContact O-CG1 3.43Å; E125-I129 PolarHBondContact O-N 2.88Å; I129-R131 VanDerWaalsContact C-N 3.32Å; I129-R131 PolarHBondContact O-N 2.82Å; I129-L132 PolarHBondContact O-N 2.82Å; I129-I137 HydrophobicContact CD1-CD1 4.15Å; I129-I137 HydrophobicContact CG1-CD1 4.29Å; I129-I137 HydrophobicContact CG2-CD1 4.13Å; I129-I137 HydrophobicContact CG2-CG1 4.31Å; I129-V139 HydrophobicContact CD1-CG2 4.09Å; I129-V139 HydrophobicContact CG2-CG2 4.07Å; I129-W149 HydrophobicContact CD1-CZ3 4.16Å; I129-V225 HydrophobicContact CD1-CB 4.33Å; I129-V225 HydrophobicContact CD1-CG1 4.48Å; I129-E226 HydrophobicContact CG1-CB 4.07Å |
| 130 | R | 94 | Very high | 95.5 | Very high | 186 Ų | 186 | 71.8 Ų | 71.8 | 70% | 0.702 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -69.5 | -27.2 | 176.8 | -74.2 | 179.4 | -70.6 | -173.1 | 0.8 | 113.3 | L126 Q127 E128 | L126-R130 WeakPolarHBondContact O-CB 3.48Å; L126-R130 WeakPolarHBondContact O-CG 3.33Å; L126-R130 PolarHBondContact O-N 2.74Å; L126-R130 PolarHBondContact O-NE 3Å; Q127-R130 PolarHBondContact O-N 2.73Å; E128-R130 VanDerWaalsContact C-N 3.33Å; E128-R130 PolarHBondContact O-N 2.84Å |
| 131 | R | 95 | Very high | 95.5 | Very high | 160 Ų | 160 | 66.9 Ų | 66.9 | 60% | 0.604 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -74.6 | -26.2 | 175.9 | -167.3 | -170.4 | 60.2 | 64.9 | 3.2 | 112.8 | Q127 E128 I129 | Q127-R131 WeakPolarHBondContact O-CB 3.48Å; Q127-R131 PolarHBondContact O-N 3.35Å; E128-R131 WeakPolarHBondContact O-CB 3.27Å; E128-R131 PolarHBondContact O-N 3.47Å; E128-R131 VanDerWaalsContact O-N 3.1Å; E128-R131 IonicContact OE2-CZ 3.29Å; E128-R131 IonicContact OE2-NE 3.05Å; E128-R131 PolarHBondContact OE2-NE 2.88Å; E128-R131 IonicContact OE2-NH2 2.7Å; E128-R131 PolarHBondContact OE2-NH2 2.85Å; I129-R131 VanDerWaalsContact C-N 3.32Å; I129-R131 PolarHBondContact O-N 2.82Å |
| 132 | L | 92.4 | Very high | 95.5 | Very high | 70 Ų | 70 | 66.5 Ų | 66.5 | 37% | 0.366 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -73.2 | -42.4 | 179.2 | -73.7 | 167 | 0 | 0 | 0 | 112.6 | E128 I129 D134 E226 | E128-L132 WeakPolarHBondContact O-CG 3.21Å; E128-L132 PolarHBondContact O-N 2.87Å; I129-L132 PolarHBondContact O-N 2.82Å; L132-D134 PolarHBondContact O-N 2.89Å; L132-E226 HydrophobicContact CD1-CB 4.47Å; L132-E226 HydrophobicContact CD1-CG 3.68Å |
| 133 | G | 85.8 | Confident | 95.4 | Very high | 52 Ų | 52 | 75.4 Ų | 75.4 | 54% | 0.536 | 37% | 0.369 | S | S | . | . | trans | 63.4 | 10.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | N135 | G133-N135 VanDerWaalsContact C-N 3.25Å; G133-N135 PolarHBondContact O-N 2.78Å | ||
| 134 | D | 88.9 | Confident | 95.3 | Very high | 66 Ų | 66 | 77.8 Ų | 77.8 | 35% | 0.353 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -81.4 | 1.9 | -171.7 | 76 | -19.9 | 0 | 0 | 0 | 114.8 | L132 F136 Q155 R230 | L132-D134 PolarHBondContact O-N 2.89Å; D134-F136 PolarHBondContact O-N 3.36Å; D134-F136 VanDerWaalsContact O-N 3.14Å; D134-F136 VanDerWaalsContact OD1-CB 3.23Å; D134-F136 WeakPolarHBondContact OD1-CB 3.41Å; D134-F136 PolarHBondContact OD1-N 2.81Å; D134-F136 WeakPolarHBondContact OD2-CB 3.37Å; D134-Q155 PolarHBondContact O-NE2 3.13Å; D134-Q155 VanDerWaalsContact O-NE2 3.14Å; D134-R230 IonicContact OD1-NH2 2.91Å; D134-R230 IonicContact OD2-CZ 2.73Å; D134-R230 IonicContact OD2-NH1 3.97Å; D134-R230 PolarHBondContact OD2-NH1 2.91Å; D134-R230 IonicContact OD2-NH2 3.87Å; D134-R230 PolarHBondContact OD2-NH2 2.87Å |
| 135 | N | 89.8 | Confident | 95.3 | Very high | 116 Ų | 116 | 75.2 Ų | 75.2 | 62% | 0.62 | 38% | 0.376 | S | S | * | . | S | Bend | trans | 53.1 | 27.1 | -175.3 | -56.6 | -57.3 | 0 | 0 | 0 | 114 | G133 Q155 | G133-N135 VanDerWaalsContact C-N 3.25Å; G133-N135 PolarHBondContact O-N 2.78Å; N135-Q155 PolarHBondContact O-NE2 3.45Å |
| 136 | F | 96.3 | Very high | 95.2 | Very high | 22 Ų | 22 | 76.5 Ų | 76.5 | 10% | 0.096 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -71.3 | -42 | 174.5 | -174.3 | -91.1 | 0 | 0 | 0 | 111.4 | D134 L153 H154 Q155 R230 A233 | D134-F136 PolarHBondContact O-N 3.36Å; D134-F136 VanDerWaalsContact O-N 3.14Å; D134-F136 VanDerWaalsContact OD1-CB 3.23Å; D134-F136 WeakPolarHBondContact OD1-CB 3.41Å; D134-F136 PolarHBondContact OD1-N 2.81Å; D134-F136 WeakPolarHBondContact OD2-CB 3.37Å; F136-L153 HydrophobicContact CD1-CD1 4.03Å; F136-L153 HydrophobicContact CE1-CD1 3.36Å; F136-L153 HydrophobicContact CZ-CD1 3.65Å; F136-H154 PolarHBondContact O-N 2.78Å; F136-H154 VanDerWaalsContact O-N 3.13Å; F136-Q155 HydrophobicContact CD2-CB 3.61Å; F136-Q155 HydrophobicContact CD2-CG 4.41Å; F136-Q155 HydrophobicContact CE2-CB 3.78Å; F136-Q155 HydrophobicContact CG-CB 4.45Å; F136-R230 HydrophobicContact CD1-CG 3.86Å; F136-R230 HydrophobicContact CE1-CB 4.18Å; F136-R230 HydrophobicContact CE1-CG 3.52Å; F136-R230 HydrophobicContact CE2-CG 4.38Å; F136-R230 HydrophobicContact CG-CG 4.47Å; F136-R230 VanDerWaalsContact CG-NH1 3.27Å; F136-R230 HydrophobicContact CZ-CB 4.25Å; F136-R230 HydrophobicContact CZ-CG 3.81Å; F136-A233 HydrophobicContact CE1-CB 4.43Å; F136-A233 HydrophobicContact CZ-CB 3.72Å |
| 137 | I | 97.4 | Very high | 95.3 | Very high | 14 Ų | 14 | 78 Ų | 78 | 7% | 0.072 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 150.5 | 172.6 | 48 | 170.2 | 0 | 0 | 0 | 111.7 | I129 V139 V151 K152 L153 E226 M229 | I129-I137 HydrophobicContact CD1-CD1 4.15Å; I129-I137 HydrophobicContact CG1-CD1 4.29Å; I129-I137 HydrophobicContact CG2-CD1 4.13Å; I129-I137 HydrophobicContact CG2-CG1 4.31Å; I137-V139 HydrophobicContact CD1-CG2 4.47Å; I137-V151 HydrophobicContact CB-CG1 3.92Å; I137-V151 HydrophobicContact CD1-CG1 4.4Å; I137-V151 HydrophobicContact CG2-CG1 3.79Å; I137-K152 CarbonylContact C-O 3.6Å; I137-K152 WeakPolarHBondContact CA-O 3.28Å; I137-L153 HydrophobicContact CG2-CB 4.42Å; I137-L153 HydrophobicContact CG2-CD1 3.97Å; I137-E226 HydrophobicContact CD1-CB 4.49Å; I137-M229 HydrophobicContact CD1-CB 4.24Å; I137-M229 HydrophobicContact CD1-CG 4.09Å; I137-M229 HydrophobicContact CG2-CB 3.96Å; I137-M229 HydrophobicContact CG2-CG 4.17Å |
| 138 | T | 97.1 | Very high | 95.4 | Very high | 52 Ų | 52 | 73 Ų | 73 | 32% | 0.319 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 141.1 | 160.8 | -53.8 | 0 | 0 | 0 | 0 | 109.2 | V151 K152 H154 | T138-V151 CarbonylContact O-C 3.55Å; T138-V151 WeakPolarHBondContact O-CA 3.4Å; T138-K152 PolarHBondContact N-O 3.44Å; T138-K152 PolarHBondContact O-N 3.28Å; T138-H154 PolarHBondContact OG1-NE2 2.9Å |
| 139 | V | 97.7 | Very high | 95.5 | Very high | 34 Ų | 34 | 70.2 Ų | 70.2 | 21% | 0.206 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 130 | -179.3 | -178.6 | 0 | 0 | 0 | 0 | 109.8 | L126 I129 I137 W149 V151 | L126-V139 HydrophobicContact CD2-CB 4.36Å; L126-V139 HydrophobicContact CD2-CG1 3.7Å; I129-V139 HydrophobicContact CD1-CG2 4.09Å; I129-V139 HydrophobicContact CG2-CG2 4.07Å; I137-V139 HydrophobicContact CD1-CG2 4.47Å; V139-W149 HydrophobicContact CG1-CB 4.14Å; V139-W149 HydrophobicContact CG1-CD2 3.73Å; V139-W149 HydrophobicContact CG1-CE3 3.46Å; V139-W149 VanDerWaalsContact CG1-CE3 3.46Å; V139-W149 HydrophobicContact CG1-CG 4.03Å; V139-W149 HydrophobicContact CG1-CZ3 4.15Å; V139-W149 HydrophobicContact CG2-CE3 4.43Å; V139-V151 HydrophobicContact CG1-CG2 4.45Å; V139-V151 HydrophobicContact CG2-CG1 4.29Å; V139-V151 HydrophobicContact CG2-CG2 4.18Å |
| 140 | E | 97.8 | Very high | 95.6 | Very high | 78 Ų | 78 | 71.3 Ų | 71.3 | 36% | 0.364 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 133.9 | 177.6 | -71 | 164.9 | 179 | 0 | 0 | 108.3 | N150 K152 | E140-N150 HydrophobicContact CB-CB 4.39Å; E140-N150 PolarHBondContact N-O 3.4Å; E140-N150 PolarHBondContact O-N 2.96Å; E140-K152 IonicContact OE1-NZ 3.21Å; E140-K152 PolarHBondContact OE1-NZ 2.9Å; E140-K152 WeakPolarHBondContact OE2-CE 3.3Å; E140-K152 IonicContact OE2-NZ 3.42Å; E140-K152 PolarHBondContact OE2-NZ 3.31Å |
| 141 | L | 98.2 | Very high | 95.8 | Very high | 61 Ų | 61 | 62.4 Ų | 62.4 | 32% | 0.319 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 135.9 | 176.6 | -57.8 | -174.8 | 0 | 0 | 0 | 109.5 | L126 E143 W149 | L126-L141 HydrophobicContact CD1-CD2 4.24Å; L141-E143 PolarHBondContact O-N 2.85Å; L141-W149 HydrophobicContact CD2-CG 4.08Å |
| 142 | V | 97.4 | Very high | 96 | Very high | 38 Ų | 38 | 56.9 Ų | 56.9 | 23% | 0.23 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 113.9 | 174.1 | -178.5 | 0 | 0 | 0 | 0 | 107.7 | D144 N145 D148 N150 | V142-D144 VanDerWaalsContact C-N 3.26Å; V142-D144 PolarHBondContact O-N 3.28Å; V142-N145 WeakPolarHBondContact O-CB 3.24Å; V142-N145 PolarHBondContact O-N 3.33Å; V142-D148 HydrophobicContact CB-CB 4.43Å; V142-D148 WeakPolarHBondContact CB-O 3.45Å; V142-D148 WeakPolarHBondContact CG2-O 3.23Å; V142-D148 PolarHBondContact N-O 2.96Å; V142-N150 HydrophobicContact CG2-CB 4.46Å |
| 143 | E | 96.2 | Very high | 96.3 | Very high | 187 Ų | 187 | 53.6 Ų | 53.6 | 87% | 0.874 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 41.1 | 179.2 | -59.1 | 168.8 | -164.2 | 0 | 0 | 112.4 | L141 N145 | L141-E143 PolarHBondContact O-N 2.85Å; E143-N145 PolarHBondContact O-N 3.21Å |
| 144 | D | 95.8 | Very high | 96.8 | Very high | 145 Ų | 145 | 54 Ų | 54 | 78% | 0.775 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 12.5 | -173.3 | -66.4 | -48.9 | 0 | 0 | 0 | 115.5 | V142 L146 | V142-D144 VanDerWaalsContact C-N 3.26Å; V142-D144 PolarHBondContact O-N 3.28Å; D144-L146 PolarHBondContact O-N 3.43Å |
| 145 | N | 97 | Very high | 97.1 | Very high | 65 Ų | 65 | 54.9 Ų | 54.9 | 35% | 0.348 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 109.7 | -179.3 | -171.8 | -4.5 | 0 | 0 | 0 | 111.7 | V142 E143 F147 D148 | V142-N145 WeakPolarHBondContact O-CB 3.24Å; V142-N145 PolarHBondContact O-N 3.33Å; E143-N145 PolarHBondContact O-N 3.21Å; N145-F147 PolarHBondContact O-N 3.04Å; N145-F147 WeakPolarHBondContact OD1-CB 2.97Å; N145-F147 VanDerWaalsContact OD1-CD2 3.31Å; N145-F147 WeakPolarHBondContact OD1-CD2 3.47Å; N145-F147 PolarHBondContact OD1-N 3.06Å; N145-D148 PolarHBondContact O-N 2.87Å |
| 146 | L | 97.5 | Very high | 97.5 | Very high | 34 Ų | 34 | 50.1 Ų | 50.1 | 18% | 0.178 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.3 | -17.4 | 173.1 | -176.8 | 59.5 | 0 | 0 | 0 | 113.5 | T119 L122 M123 L126 D144 W149 | T119-L146 HydrophobicContact CG2-CD2 3.84Å; L122-L146 HydrophobicContact CB-CD1 3.9Å; L122-L146 HydrophobicContact CB-CD2 4.4Å; L122-L146 HydrophobicContact CB-CG 4.01Å; L122-L146 HydrophobicContact CD1-CG 4.42Å; M123-L146 HydrophobicContact CG-CD2 4.05Å; L126-L146 HydrophobicContact CD1-CD1 3.52Å; D144-L146 PolarHBondContact O-N 3.43Å; L146-W149 PolarHBondContact O-NE1 3.1Å |
| 147 | F | 98.1 | Very high | 97.5 | Very high | 53 Ų | 53 | 53.3 Ų | 53.3 | 23% | 0.232 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | -3.7 | -175.8 | -45.7 | -59.5 | 0 | 0 | 0 | 115.3 | R118 L122 N145 F180 | R118-F147 HydrophobicContact CG-CD1 4.12Å; R118-F147 HydrophobicContact CG-CE1 3.94Å; R118-F147 VanDerWaalsContact CZ-CD1 3.47Å; L122-F147 HydrophobicContact CD1-CD1 3.57Å; L122-F147 HydrophobicContact CD1-CE1 4.02Å; N145-F147 PolarHBondContact O-N 3.04Å; N145-F147 WeakPolarHBondContact OD1-CB 2.97Å; N145-F147 VanDerWaalsContact OD1-CD2 3.31Å; N145-F147 WeakPolarHBondContact OD1-CD2 3.47Å; N145-F147 PolarHBondContact OD1-N 3.06Å; F147-F180 PolarHBondContact O-N 3.32Å |
| 148 | D | 98.4 | Very high | 97.4 | Very high | 22 Ų | 22 | 59.4 Ų | 59.4 | 12% | 0.118 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 111.3 | 175.8 | -146.9 | -9.8 | 0 | 0 | 0 | 109.6 | V142 N145 N177 T179 R256 | V142-D148 HydrophobicContact CB-CB 4.43Å; V142-D148 WeakPolarHBondContact CB-O 3.45Å; V142-D148 WeakPolarHBondContact CG2-O 3.23Å; V142-D148 PolarHBondContact N-O 2.96Å; N145-D148 PolarHBondContact O-N 2.87Å; D148-N177 PolarHBondContact OD1-ND2 2.8Å; D148-T179 HydrophobicContact CB-CG2 4.37Å; D148-T179 VanDerWaalsContact CG-OG1 3.25Å; D148-T179 WeakPolarHBondContact OD1-CA 3Å; D148-T179 WeakPolarHBondContact OD1-CB 3.36Å; D148-T179 PolarHBondContact OD1-OG1 2.73Å; D148-T179 PolarHBondContact OD2-OG1 3.24Å; D148-R256 IonicContact OD2-NH1 2.66Å; D148-R256 PolarHBondContact OD2-NH1 2.71Å; D148-R256 VanDerWaalsContact OD2-NH1 3.13Å |
| 149 | W | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 147.6 | -173.2 | -58.4 | -1.8 | 0 | 0 | 0 | 111.3 | L122 E125 L126 I129 V139 L141 L146 V151 N177 V178 F180 V225 | L122-W149 HydrophobicContact CB-CZ2 4.24Å; L122-W149 HydrophobicContact CD2-CH2 4.22Å; L122-W149 HydrophobicContact CD2-CZ2 3.76Å; E125-W149 HydrophobicContact CB-CH2 3.9Å; L126-W149 HydrophobicContact CD1-CZ2 3.96Å; L126-W149 HydrophobicContact CD2-CD2 4.22Å; L126-W149 HydrophobicContact CD2-CE3 4.18Å; L126-W149 HydrophobicContact CD2-CH2 3.53Å; L126-W149 HydrophobicContact CD2-CZ2 3.57Å; L126-W149 HydrophobicContact CD2-CZ3 3.84Å; L126-W149 HydrophobicContact CG-CH2 3.61Å; L126-W149 HydrophobicContact CG-CZ2 3.48Å; L126-W149 VanDerWaalsContact CG-CZ2 3.48Å; L126-W149 HydrophobicContact CG-CZ3 4.41Å; I129-W149 HydrophobicContact CD1-CZ3 4.16Å; V139-W149 HydrophobicContact CG1-CB 4.14Å; V139-W149 HydrophobicContact CG1-CD2 3.73Å; V139-W149 HydrophobicContact CG1-CE3 3.46Å; V139-W149 VanDerWaalsContact CG1-CE3 3.46Å; V139-W149 HydrophobicContact CG1-CG 4.03Å; V139-W149 HydrophobicContact CG1-CZ3 4.15Å; V139-W149 HydrophobicContact CG2-CE3 4.43Å; L141-W149 HydrophobicContact CD2-CG 4.08Å; L146-W149 PolarHBondContact O-NE1 3.1Å; W149-V151 HydrophobicContact CB-CG2 4.27Å; W149-N177 CarbonylContact O-C 3.57Å; W149-N177 VanDerWaalsContact O-CA 3.3Å; W149-N177 WeakPolarHBondContact O-CA 3.33Å; W149-N177 PolarHBondContact O-ND2 2.7Å; W149-V178 HydrophobicContact CB-CB 4.47Å; W149-V178 PolarHBondContact N-O 3.3Å; W149-V178 PolarHBondContact O-N 3.37Å; W149-F180 HydrophobicContact CB-CE2 4.47Å; W149-F180 AromaticContact CD1-CE2 3.95Å; W149-F180 AromaticContact CD2-CE2 3.46Å; W149-F180 HydrophobicContact CD2-CE2 3.46Å; W149-F180 VanDerWaalsContact CD2-CE2 3.46Å; W149-F180 AromaticContact CD2-CZ 3.89Å; W149-F180 HydrophobicContact CD2-CZ 3.89Å; W149-F180 AromaticContact CE2-CE2 3.5Å; W149-F180 AromaticContact CE3-CE2 3.89Å; W149-F180 HydrophobicContact CE3-CE2 3.89Å; W149-F180 AromaticContact CE3-CZ 3.81Å; W149-F180 HydrophobicContact CE3-CZ 3.81Å; W149-F180 AromaticContact CG-CE2 3.75Å; W149-F180 HydrophobicContact CG-CE2 3.75Å; W149-F180 HydrophobicContact CH2-CE2 4.36Å; W149-F180 HydrophobicContact CH2-CZ 4.05Å; W149-F180 AromaticContact CZ2-CE2 3.96Å; W149-F180 HydrophobicContact CZ2-CE2 3.96Å; W149-F180 HydrophobicContact CZ2-CZ 4.1Å; W149-F180 HydrophobicContact CZ3-CE2 4.33Å; W149-F180 AromaticContact CZ3-CZ 3.91Å; W149-F180 HydrophobicContact CZ3-CZ 3.91Å; W149-F180 AromaticContact NE1-CE2 3.77Å; W149-V225 HydrophobicContact CE3-CG1 4.38Å; W149-V225 HydrophobicContact CH2-CG2 4.48Å; W149-V225 HydrophobicContact CZ3-CB 4.3Å; W149-V225 HydrophobicContact CZ3-CG1 3.94Å; W149-V225 HydrophobicContact CZ3-CG2 4.21Å |
| 150 | N | 98.6 | Very high | 97.4 | Very high | 42 Ų | 42 | 62.9 Ų | 62.9 | 23% | 0.225 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 132.9 | 157.1 | -77.8 | -27.1 | 0 | 0 | 0 | 108.4 | E140 V142 L175 L176 | E140-N150 HydrophobicContact CB-CB 4.39Å; E140-N150 PolarHBondContact N-O 3.4Å; E140-N150 PolarHBondContact O-N 2.96Å; V142-N150 HydrophobicContact CG2-CB 4.46Å; N150-L175 HydrophobicContact CB-CD1 4.3Å; N150-L176 CarbonylContact C-O 3.58Å; N150-L176 WeakPolarHBondContact CA-O 3.47Å |
| 151 | V | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 120.9 | 179.7 | -173.8 | 0 | 0 | 0 | 0 | 109.2 | I137 T138 V139 W149 L176 V178 M229 | I137-V151 HydrophobicContact CB-CG1 3.92Å; I137-V151 HydrophobicContact CD1-CG1 4.4Å; I137-V151 HydrophobicContact CG2-CG1 3.79Å; T138-V151 CarbonylContact O-C 3.55Å; T138-V151 WeakPolarHBondContact O-CA 3.4Å; V139-V151 HydrophobicContact CG1-CG2 4.45Å; V139-V151 HydrophobicContact CG2-CG1 4.29Å; V139-V151 HydrophobicContact CG2-CG2 4.18Å; W149-V151 HydrophobicContact CB-CG2 4.27Å; V151-L176 HydrophobicContact CB-CB 4.44Å; V151-L176 PolarHBondContact N-O 2.96Å; V151-L176 PolarHBondContact O-N 3.47Å; V151-V178 HydrophobicContact CG2-CG2 3.81Å; V151-M229 HydrophobicContact CB-CE 3.95Å; V151-M229 HydrophobicContact CB-SD 4.31Å; V151-M229 HydrophobicContact CG1-CE 3.95Å; V151-M229 HydrophobicContact CG1-CG 4.24Å; V151-M229 HydrophobicContact CG1-SD 3.8Å; V151-M229 HydrophobicContact CG2-CE 3.94Å |
| 152 | K | 98.4 | Very high | 97.3 | Very high | 44 Ų | 44 | 58.2 Ų | 58.2 | 19% | 0.191 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 112.6 | 176.2 | -66 | 171.2 | 177.5 | 167.3 | 0 | 108.1 | I137 T138 E140 F173 L175 | I137-K152 CarbonylContact C-O 3.6Å; I137-K152 WeakPolarHBondContact CA-O 3.28Å; T138-K152 PolarHBondContact N-O 3.44Å; T138-K152 PolarHBondContact O-N 3.28Å; E140-K152 IonicContact OE1-NZ 3.21Å; E140-K152 PolarHBondContact OE1-NZ 2.9Å; E140-K152 WeakPolarHBondContact OE2-CE 3.3Å; E140-K152 IonicContact OE2-NZ 3.42Å; E140-K152 PolarHBondContact OE2-NZ 3.31Å; K152-F173 HydrophobicContact CB-CB 4.06Å; K152-F173 HydrophobicContact CB-CD1 4.46Å; K152-F173 HydrophobicContact CB-CD2 3.96Å; K152-F173 HydrophobicContact CB-CG 3.9Å; K152-F173 HydrophobicContact CD-CD1 4.28Å; K152-F173 HydrophobicContact CD-CD2 4.29Å; K152-F173 HydrophobicContact CD-CE1 4.13Å; K152-F173 HydrophobicContact CD-CE2 4.12Å; K152-F173 HydrophobicContact CD-CG 4.38Å; K152-F173 HydrophobicContact CD-CZ 4.04Å; K152-F173 HydrophobicContact CG-CD1 4.42Å; K152-F173 HydrophobicContact CG-CD2 3.69Å; K152-F173 HydrophobicContact CG-CE2 3.84Å; K152-F173 HydrophobicContact CG-CG 4.01Å; K152-F173 HydrophobicContact CG-CZ 4.29Å; K152-L175 HydrophobicContact CG-CD1 3.63Å |
| 153 | L | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 108.6 | 174.1 | 174 | 67.5 | 0 | 0 | 0 | 109.1 | F136 I137 V156 F173 I174 L176 F232 A233 L236 | F136-L153 HydrophobicContact CD1-CD1 4.03Å; F136-L153 HydrophobicContact CE1-CD1 3.36Å; F136-L153 HydrophobicContact CZ-CD1 3.65Å; I137-L153 HydrophobicContact CG2-CB 4.42Å; I137-L153 HydrophobicContact CG2-CD1 3.97Å; L153-V156 HydrophobicContact CD2-CG1 4.44Å; L153-F173 CarbonylContact O-C 3.58Å; L153-F173 VanDerWaalsContact O-CA 3.23Å; L153-F173 WeakPolarHBondContact O-CA 3.5Å; L153-F173 WeakPolarHBondContact O-CB 3.36Å; L153-I174 HydrophobicContact CB-CB 4.36Å; L153-I174 PolarHBondContact N-O 3.44Å; L153-I174 PolarHBondContact O-N 2.87Å; L153-L176 HydrophobicContact CB-CD1 3.86Å; L153-L176 HydrophobicContact CD2-CD1 4.39Å; L153-F232 HydrophobicContact CD2-CD1 4.13Å; L153-F232 HydrophobicContact CD2-CE1 4.26Å; L153-A233 HydrophobicContact CD1-CB 4.04Å; L153-A233 HydrophobicContact CD2-CB 3.82Å; L153-L236 HydrophobicContact CD2-CD1 4.26Å |
| 154 | H | 97.7 | Very high | 97.4 | Very high | 61 Ų | 61 | 56.4 Ų | 56.4 | 28% | 0.282 | 28% | 0.283 | S | S | . | . | trans | -91.8 | -20.5 | -174.8 | -57.3 | -71.9 | 0 | 0 | 0 | 113.5 | F136 T138 | F136-H154 PolarHBondContact O-N 2.78Å; F136-H154 VanDerWaalsContact O-N 3.13Å; T138-H154 PolarHBondContact OG1-NE2 2.9Å | ||
| 155 | Q | 95.5 | Very high | 97.4 | Very high | 84 Ų | 84 | 49.5 Ų | 49.5 | 39% | 0.393 | 25% | 0.246 | S | C | . | . | trans | -123.7 | 124 | -169 | -65.6 | -174.8 | 58.2 | 0 | 0 | 111.8 | D134 N135 F136 | D134-Q155 PolarHBondContact O-NE2 3.13Å; D134-Q155 VanDerWaalsContact O-NE2 3.14Å; N135-Q155 PolarHBondContact O-NE2 3.45Å; F136-Q155 HydrophobicContact CD2-CB 3.61Å; F136-Q155 HydrophobicContact CD2-CG 4.41Å; F136-Q155 HydrophobicContact CE2-CB 3.78Å; F136-Q155 HydrophobicContact CG-CB 4.45Å | ||
| 156 | V | 96.6 | Very high | 97.4 | Very high | 17 Ų | 17 | 47 Ų | 47 | 10% | 0.103 | 23% | 0.232 | C | C | . | . | trans | -129.7 | 168 | 167.8 | -66.2 | 0 | 0 | 0 | 0 | 108 | L153 K158 L162 W163 M166 I174 V237 | L153-V156 HydrophobicContact CD2-CG1 4.44Å; V156-K158 PolarHBondContact O-N 3.48Å; V156-L162 HydrophobicContact CG1-CD2 4.17Å; V156-L162 HydrophobicContact CG2-CG 4.48Å; V156-W163 HydrophobicContact CG2-CB 4.03Å; V156-M166 HydrophobicContact CG2-SD 3.78Å; V156-I174 HydrophobicContact CG1-CD1 4.33Å; V156-V237 HydrophobicContact CB-CG2 4.44Å | ||
| 157 | D | 96.5 | Very high | 97.3 | Very high | 88 Ų | 88 | 51.7 Ų | 51.7 | 47% | 0.471 | 25% | 0.251 | S | S | . | . | trans | -59 | 127.6 | 179.4 | -166.2 | -22.8 | 0 | 0 | 0 | 111.3 | D159 S160 W163 V237 | D157-D159 VanDerWaalsContact C-N 3.29Å; D157-D159 PolarHBondContact O-N 2.97Å; D157-D159 PolarHBondContact OD1-N 3.01Å; D157-S160 VanDerWaalsContact O-CB 3.29Å; D157-S160 WeakPolarHBondContact O-CB 3.37Å; D157-S160 PolarHBondContact O-N 2.93Å; D157-S160 PolarHBondContact O-OG 3.3Å; D157-W163 WeakPolarHBondContact O-CB 3.46Å; D157-V237 HydrophobicContact CB-CB 4.46Å; D157-V237 HydrophobicContact CB-CG1 4.03Å; D157-V237 HydrophobicContact CB-CG2 3.76Å | ||
| 158 | K | 96.4 | Very high | 97.2 | Very high | 142 Ų | 142 | 55.2 Ų | 55.2 | 62% | 0.617 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -28.6 | -173.4 | -64.3 | 178.2 | -176.6 | 172.5 | 0 | 112.6 | V156 S160 W163 | V156-K158 PolarHBondContact O-N 3.48Å; K158-S160 PolarHBondContact O-N 3.39Å; K158-W163 HydrophobicContact CB-CD2 4.36Å; K158-W163 HydrophobicContact CB-CG 4.47Å; K158-W163 VanDerWaalsContact O-CE3 3.22Å |
| 159 | D | 96.6 | Very high | 97 | Very high | 146 Ų | 146 | 56.6 Ų | 56.6 | 78% | 0.781 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -2.7 | -179.5 | -60.5 | -22.7 | 0 | 0 | 0 | 111.6 | D157 | D157-D159 VanDerWaalsContact C-N 3.29Å; D157-D159 PolarHBondContact O-N 2.97Å; D157-D159 PolarHBondContact OD1-N 3.01Å |
| 160 | S | 97.3 | Very high | 96.8 | Very high | 13 Ų | 13 | 61.7 Ų | 61.7 | 9% | 0.091 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -80.5 | 148.2 | 179.3 | 77.4 | 0 | 0 | 0 | 0 | 113.7 | D157 K158 L162 W163 Q164 | D157-S160 VanDerWaalsContact O-CB 3.29Å; D157-S160 WeakPolarHBondContact O-CB 3.37Å; D157-S160 PolarHBondContact O-N 2.93Å; D157-S160 PolarHBondContact O-OG 3.3Å; K158-S160 PolarHBondContact O-N 3.39Å; S160-L162 PolarHBondContact O-N 2.93Å; S160-L162 VanDerWaalsContact O-N 3.16Å; S160-L162 PolarHBondContact OG-N 3.36Å; S160-W163 PolarHBondContact O-N 3.42Å; S160-W163 VanDerWaalsContact O-N 3.07Å; S160-W163 PolarHBondContact OG-N 3.12Å; S160-Q164 PolarHBondContact O-N 3.27Å |
| 161 | A | 97.1 | Very high | 96.6 | Very high | 40 Ų | 40 | 61.3 Ų | 61.3 | 33% | 0.331 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.7 | -23.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | D165 | A161-D165 WeakPolarHBondContact O-CB 3.36Å; A161-D165 PolarHBondContact O-N 3.04Å |
| 162 | L | 97.6 | Very high | 96.5 | Very high | 2 Ų | 2 | 68.8 Ų | 68.8 | 1% | 0.01 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -70.2 | -36.4 | 174.6 | -175.8 | 55.9 | 0 | 0 | 0 | 112.4 | V156 S160 D165 M166 I174 L198 L236 G241 I243 | V156-L162 HydrophobicContact CG1-CD2 4.17Å; V156-L162 HydrophobicContact CG2-CG 4.48Å; S160-L162 PolarHBondContact O-N 2.93Å; S160-L162 VanDerWaalsContact O-N 3.16Å; S160-L162 PolarHBondContact OG-N 3.36Å; L162-D165 WeakPolarHBondContact O-CB 3.43Å; L162-D165 PolarHBondContact O-N 3.01Å; L162-M166 WeakPolarHBondContact O-CG 3.49Å; L162-M166 PolarHBondContact O-N 3.24Å; L162-I174 HydrophobicContact CD2-CD1 4.1Å; L162-L198 HydrophobicContact CD1-CD2 3.83Å; L162-L236 HydrophobicContact CD2-CB 3.71Å; L162-L236 HydrophobicContact CD2-CD1 4Å; L162-L236 HydrophobicContact CD2-CG 4.36Å; L162-G241 WeakPolarHBondContact CB-O 3.24Å; L162-I243 HydrophobicContact CD1-CG1 4.11Å |
| 163 | W | 97.5 | Very high | 96.5 | Very high | 90 Ų | 90 | 69.1 Ų | 69.1 | 34% | 0.341 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -69.2 | -41.3 | 175.1 | -177.2 | 92.1 | 0 | 0 | 0 | 111.5 | V156 D157 K158 S160 D165 M166 K167 | V156-W163 HydrophobicContact CG2-CB 4.03Å; D157-W163 WeakPolarHBondContact O-CB 3.46Å; K158-W163 HydrophobicContact CB-CD2 4.36Å; K158-W163 HydrophobicContact CB-CG 4.47Å; K158-W163 VanDerWaalsContact O-CE3 3.22Å; S160-W163 PolarHBondContact O-N 3.42Å; S160-W163 VanDerWaalsContact O-N 3.07Å; S160-W163 PolarHBondContact OG-N 3.12Å; W163-D165 VanDerWaalsContact C-N 3.34Å; W163-D165 PolarHBondContact O-N 3.01Å; W163-M166 PolarHBondContact O-N 2.99Å; W163-K167 HydrophobicContact CD2-CG 4.17Å; W163-K167 HydrophobicContact CE3-CG 4.18Å; W163-K167 HydrophobicContact CH2-CG 4.04Å; W163-K167 HydrophobicContact CZ2-CD 4.35Å; W163-K167 VanDerWaalsContact CZ2-CE 3.45Å; W163-K167 HydrophobicContact CZ2-CG 4.04Å; W163-K167 HydrophobicContact CZ3-CG 4.11Å; W163-K167 WeakPolarHBondContact O-CG 3.3Å; W163-K167 PolarHBondContact O-N 2.81Å |
| 164 | Q | 97.3 | Very high | 96.5 | Very high | 96 Ų | 96 | 69.1 Ų | 69.1 | 45% | 0.449 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.4 | -46.9 | 172.7 | -63.1 | 172.8 | 7.1 | 0 | 0 | 110.7 | S160 M166 K167 E168 | S160-Q164 PolarHBondContact O-N 3.27Å; Q164-M166 PolarHBondContact O-N 3.49Å; Q164-K167 PolarHBondContact O-N 2.87Å; Q164-K167 VanDerWaalsContact O-N 3.16Å; Q164-E168 PolarHBondContact O-N 2.98Å |
| 165 | D | 96.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -54.6 | -50.1 | 172.5 | -74.6 | 11.6 | 0 | 0 | 0 | 112.2 | A161 L162 W163 K167 E168 T169 R242 I243 R245 | A161-D165 WeakPolarHBondContact O-CB 3.36Å; A161-D165 PolarHBondContact O-N 3.04Å; L162-D165 WeakPolarHBondContact O-CB 3.43Å; L162-D165 PolarHBondContact O-N 3.01Å; W163-D165 VanDerWaalsContact C-N 3.34Å; W163-D165 PolarHBondContact O-N 3.01Å; D165-K167 VanDerWaalsContact C-N 3.25Å; D165-K167 PolarHBondContact O-N 3.2Å; D165-E168 PolarHBondContact O-N 3.25Å; D165-T169 PolarHBondContact O-N 2.96Å; D165-T169 PolarHBondContact O-OG1 3.38Å; D165-R242 VanDerWaalsContact CG-NE 3.29Å; D165-R242 IonicContact OD1-CZ 3.75Å; D165-R242 VanDerWaalsContact OD1-CZ 3.29Å; D165-R242 IonicContact OD1-NE 2.87Å; D165-R242 PolarHBondContact OD1-NE 2.87Å; D165-R242 IonicContact OD1-NH2 3.8Å; D165-R242 PolarHBondContact OD1-NH2 3.4Å; D165-R242 VanDerWaalsContact OD2-CA 3.28Å; D165-R242 WeakPolarHBondContact OD2-CA 3.27Å; D165-R242 WeakPolarHBondContact OD2-CB 3.48Å; D165-R242 IonicContact OD2-CZ 2.66Å; D165-R242 IonicContact OD2-NE 2.69Å; D165-R242 PolarHBondContact OD2-NE 3.34Å; D165-R242 IonicContact OD2-NH2 3.2Å; D165-I243 HydrophobicContact CB-CB 4.04Å; D165-I243 HydrophobicContact CB-CD1 4.03Å; D165-I243 HydrophobicContact CB-CG1 3.94Å; D165-I243 PolarHBondContact OD2-N 2.7Å; D165-R245 VanDerWaalsContact CG-NH2 3.34Å; D165-R245 IonicContact OD1-CZ 2.7Å; D165-R245 VanDerWaalsContact OD1-CZ 3.26Å; D165-R245 IonicContact OD1-NH1 3.15Å; D165-R245 PolarHBondContact OD1-NH1 2.91Å; D165-R245 IonicContact OD1-NH2 2.73Å; D165-R245 PolarHBondContact OD1-NH2 2.82Å; D165-R245 IonicContact OD2-CZ 2.71Å; D165-R245 IonicContact OD2-NH1 3.13Å; D165-R245 PolarHBondContact OD2-NH1 2.85Å; D165-R245 IonicContact OD2-NH2 2.74Å |
| 166 | M | 96.4 | Very high | 96.6 | Very high | 12 Ų | 12 | 63.5 Ų | 63.5 | 6% | 0.059 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.2 | -33.3 | 178.8 | -76.5 | 177.4 | 70.6 | 0 | 0 | 112.7 | V156 L162 W163 Q164 S170 T171 I174 I243 | V156-M166 HydrophobicContact CG2-SD 3.78Å; L162-M166 WeakPolarHBondContact O-CG 3.49Å; L162-M166 PolarHBondContact O-N 3.24Å; W163-M166 PolarHBondContact O-N 2.99Å; Q164-M166 PolarHBondContact O-N 3.49Å; M166-S170 PolarHBondContact O-N 3.42Å; M166-T171 VanDerWaalsContact CE-O 3.27Å; M166-T171 WeakPolarHBondContact CE-O 3.47Å; M166-T171 PolarHBondContact O-N 3.33Å; M166-I174 HydrophobicContact CE-CG1 4.49Å; M166-I174 HydrophobicContact SD-CD1 4.21Å; M166-I174 HydrophobicContact SD-CG1 4.23Å; M166-I243 HydrophobicContact CB-CD1 4.45Å; M166-I243 HydrophobicContact CG-CD1 3.79Å |
| 167 | K | 96.6 | Very high | 96.7 | Very high | 134 Ų | 134 | 62.9 Ų | 62.9 | 58% | 0.583 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -73.3 | -45.2 | 174.3 | -66.2 | -54.2 | -178.5 | -170.3 | 0 | 112.6 | W163 Q164 D165 T169 S170 | W163-K167 HydrophobicContact CD2-CG 4.17Å; W163-K167 HydrophobicContact CE3-CG 4.18Å; W163-K167 HydrophobicContact CH2-CG 4.04Å; W163-K167 HydrophobicContact CZ2-CD 4.35Å; W163-K167 VanDerWaalsContact CZ2-CE 3.45Å; W163-K167 HydrophobicContact CZ2-CG 4.04Å; W163-K167 HydrophobicContact CZ3-CG 4.11Å; W163-K167 WeakPolarHBondContact O-CG 3.3Å; W163-K167 PolarHBondContact O-N 2.81Å; Q164-K167 PolarHBondContact O-N 2.87Å; Q164-K167 VanDerWaalsContact O-N 3.16Å; D165-K167 VanDerWaalsContact C-N 3.25Å; D165-K167 PolarHBondContact O-N 3.2Å; K167-T169 PolarHBondContact O-N 3Å; K167-S170 PolarHBondContact O-N 2.94Å |
| 168 | E | 95.1 | Very high | 96.8 | Very high | 127 Ų | 127 | 58.8 Ų | 58.8 | 59% | 0.593 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -61.4 | -42.1 | 176.1 | -75.4 | 177.6 | -144.8 | 0 | 0 | 112.7 | Q164 D165 S170 R245 | Q164-E168 PolarHBondContact O-N 2.98Å; D165-E168 PolarHBondContact O-N 3.25Å; E168-S170 VanDerWaalsContact C-N 3.3Å; E168-S170 PolarHBondContact O-N 2.77Å; E168-R245 IonicContact OE1-NH2 2.74Å; E168-R245 PolarHBondContact OE1-NH2 2.98Å; E168-R245 IonicContact OE2-CZ 2.71Å; E168-R245 IonicContact OE2-NE 3.95Å; E168-R245 PolarHBondContact OE2-NE 3.01Å; E168-R245 VanDerWaalsContact OE2-NE 3.11Å; E168-R245 IonicContact OE2-NH2 2.79Å; E168-R245 PolarHBondContact OE2-NH2 2.86Å |
| 169 | T | 93.2 | Very high | 96.9 | Very high | 50 Ų | 50 | 53.3 Ų | 53.3 | 31% | 0.307 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 14.1 | -178.1 | 66 | 0 | 0 | 0 | 0 | 113.5 | D165 K167 T171 I243 R245 | D165-T169 PolarHBondContact O-N 2.96Å; D165-T169 PolarHBondContact O-OG1 3.38Å; K167-T169 PolarHBondContact O-N 3Å; T169-T171 PolarHBondContact O-N 2.88Å; T169-T171 PolarHBondContact O-OG1 3.02Å; T169-T171 PolarHBondContact OG1-OG1 2.9Å; T169-I243 HydrophobicContact CG2-CG2 4.13Å; T169-I243 VanDerWaalsContact OG1-CD1 3.31Å; T169-I243 WeakPolarHBondContact OG1-CD1 3.41Å; T169-R245 HydrophobicContact CG2-CG 4.45Å |
| 170 | S | 95.2 | Very high | 97 | Very high | 108 Ų | 108 | 46.4 Ų | 46.4 | 76% | 0.755 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 46 | 39.4 | -178.7 | -60.6 | 0 | 0 | 0 | 0 | 113.3 | M166 K167 E168 | M166-S170 PolarHBondContact O-N 3.42Å; K167-S170 PolarHBondContact O-N 2.94Å; E168-S170 VanDerWaalsContact C-N 3.3Å; E168-S170 PolarHBondContact O-N 2.77Å |
| 171 | T | 95.2 | Very high | 97 | Very high | 33 Ų | 33 | 47.9 Ų | 47.9 | 20% | 0.202 | 25% | 0.248 | C | C | . | . | trans | -98.4 | 103.7 | -172.7 | -60.6 | 0 | 0 | 0 | 0 | 109.4 | M166 T169 F173 P196 I243 | M166-T171 VanDerWaalsContact CE-O 3.27Å; M166-T171 WeakPolarHBondContact CE-O 3.47Å; M166-T171 PolarHBondContact O-N 3.33Å; T169-T171 PolarHBondContact O-N 2.88Å; T169-T171 PolarHBondContact O-OG1 3.02Å; T169-T171 PolarHBondContact OG1-OG1 2.9Å; T171-F173 WeakPolarHBondContact CG2-O 3.48Å; T171-P196 HydrophobicContact CG2-CG 4.08Å; T171-I243 HydrophobicContact CG2-CD1 4.3Å | ||
| 172 | E | 95.9 | Very high | 97 | Very high | 157 Ų | 157 | 51.3 Ų | 51.3 | 73% | 0.734 | 26% | 0.261 | S | S | * | . | trans | -67.4 | -36.8 | -175 | -59.7 | -177.9 | 110.9 | 0 | 0 | 113.2 | ||||
| 173 | F | 97.6 | Very high | 96.9 | Very high | 52 Ų | 52 | 54.9 Ų | 54.9 | 23% | 0.228 | 28% | 0.28 | C | S | . | . | trans | -147.3 | 156.4 | -176.9 | 53 | -95.2 | 0 | 0 | 0 | 112.9 | K152 L153 T171 L175 | K152-F173 HydrophobicContact CB-CB 4.06Å; K152-F173 HydrophobicContact CB-CD1 4.46Å; K152-F173 HydrophobicContact CB-CD2 3.96Å; K152-F173 HydrophobicContact CB-CG 3.9Å; K152-F173 HydrophobicContact CD-CD1 4.28Å; K152-F173 HydrophobicContact CD-CD2 4.29Å; K152-F173 HydrophobicContact CD-CE1 4.13Å; K152-F173 HydrophobicContact CD-CE2 4.12Å; K152-F173 HydrophobicContact CD-CG 4.38Å; K152-F173 HydrophobicContact CD-CZ 4.04Å; K152-F173 HydrophobicContact CG-CD1 4.42Å; K152-F173 HydrophobicContact CG-CD2 3.69Å; K152-F173 HydrophobicContact CG-CE2 3.84Å; K152-F173 HydrophobicContact CG-CG 4.01Å; K152-F173 HydrophobicContact CG-CZ 4.29Å; L153-F173 CarbonylContact O-C 3.58Å; L153-F173 VanDerWaalsContact O-CA 3.23Å; L153-F173 WeakPolarHBondContact O-CA 3.5Å; L153-F173 WeakPolarHBondContact O-CB 3.36Å; T171-F173 WeakPolarHBondContact CG2-O 3.48Å; F173-L175 HydrophobicContact CD2-CB 4.04Å; F173-L175 HydrophobicContact CD2-CD1 4.5Å; F173-L175 HydrophobicContact CE2-CB 4.01Å; F173-L175 HydrophobicContact CE2-CD1 4.2Å | ||
| 174 | I | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 115.9 | 163.4 | -59.6 | 170.3 | 0 | 0 | 0 | 107.2 | L153 V156 L162 M166 L176 V193 L198 L236 | L153-I174 HydrophobicContact CB-CB 4.36Å; L153-I174 PolarHBondContact N-O 3.44Å; L153-I174 PolarHBondContact O-N 2.87Å; V156-I174 HydrophobicContact CG1-CD1 4.33Å; L162-I174 HydrophobicContact CD2-CD1 4.1Å; M166-I174 HydrophobicContact CE-CG1 4.49Å; M166-I174 HydrophobicContact SD-CD1 4.21Å; M166-I174 HydrophobicContact SD-CG1 4.23Å; I174-L176 HydrophobicContact CG2-CG 4.41Å; I174-V193 HydrophobicContact CG2-CG1 4.17Å; I174-L198 HydrophobicContact CD1-CD1 4.24Å; I174-L198 HydrophobicContact CG2-CD1 4.13Å; I174-L236 HydrophobicContact CD1-CD1 3.61Å |
| 175 | L | 98.3 | Very high | 96.9 | Very high | 27 Ų | 27 | 46.6 Ų | 46.6 | 14% | 0.141 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 128.2 | 179.1 | -171.9 | 67.6 | 0 | 0 | 0 | 110.3 | N150 K152 F173 L194 T195 | N150-L175 HydrophobicContact CB-CD1 4.3Å; K152-L175 HydrophobicContact CG-CD1 3.63Å; F173-L175 HydrophobicContact CD2-CB 4.04Å; F173-L175 HydrophobicContact CD2-CD1 4.5Å; F173-L175 HydrophobicContact CE2-CB 4.01Å; F173-L175 HydrophobicContact CE2-CD1 4.2Å; L175-L194 HydrophobicContact CB-CB 4.28Å; L175-L194 HydrophobicContact CD2-CB 4.08Å; L175-L194 HydrophobicContact CD2-CD1 3.75Å; L175-L194 HydrophobicContact CD2-CG 4.45Å; L175-L194 HydrophobicContact CG-CB 4.13Å; L175-L194 HydrophobicContact CG-CD1 3.96Å; L175-L194 HydrophobicContact CG-CG 4.35Å; L175-L194 WeakPolarHBondContact O-CB 3.35Å; L175-L194 PolarHBondContact O-N 2.78Å; L175-T195 HydrophobicContact CB-CG2 3.73Å; L175-T195 HydrophobicContact CD2-CG2 4Å; L175-T195 PolarHBondContact N-O 3.47Å; L175-T195 PolarHBondContact O-N 3.1Å |
| 176 | L | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 153.8 | -177.7 | -65.2 | 138.9 | 0 | 0 | 0 | 109.5 | N150 V151 L153 I174 M191 R192 V193 I209 M229 F232 | N150-L176 CarbonylContact C-O 3.58Å; N150-L176 WeakPolarHBondContact CA-O 3.47Å; V151-L176 HydrophobicContact CB-CB 4.44Å; V151-L176 PolarHBondContact N-O 2.96Å; V151-L176 PolarHBondContact O-N 3.47Å; L153-L176 HydrophobicContact CB-CD1 3.86Å; L153-L176 HydrophobicContact CD2-CD1 4.39Å; I174-L176 HydrophobicContact CG2-CG 4.41Å; L176-M191 HydrophobicContact CD1-CE 4.37Å; L176-M191 HydrophobicContact CD2-CE 3.9Å; L176-R192 CarbonylContact C-O 3.55Å; L176-R192 VanDerWaalsContact CA-O 3.31Å; L176-R192 WeakPolarHBondContact CA-O 3.32Å; L176-V193 HydrophobicContact CD2-CB 4.49Å; L176-V193 HydrophobicContact CD2-CG2 3.91Å; L176-I209 HydrophobicContact CD2-CD1 3.99Å; L176-M229 HydrophobicContact CD1-SD 3.94Å; L176-F232 HydrophobicContact CD1-CD1 4.05Å; L176-F232 HydrophobicContact CD1-CE1 3.87Å; L176-F232 HydrophobicContact CD2-CD1 4.04Å; L176-F232 HydrophobicContact CD2-CE1 3.44Å; L176-F232 VanDerWaalsContact CD2-CE1 3.44Å; L176-F232 HydrophobicContact CD2-CZ 3.87Å; L176-F232 HydrophobicContact CG-CE1 4.22Å |
| 177 | N | 98.6 | Very high | 96.9 | Very high | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 134.6 | 171.5 | 166.6 | -129.9 | 0 | 0 | 0 | 109.9 | D148 W149 M191 R192 L194 | D148-N177 PolarHBondContact OD1-ND2 2.8Å; W149-N177 CarbonylContact O-C 3.57Å; W149-N177 VanDerWaalsContact O-CA 3.3Å; W149-N177 WeakPolarHBondContact O-CA 3.33Å; W149-N177 PolarHBondContact O-ND2 2.7Å; N177-M191 WeakPolarHBondContact O-CA 3.23Å; N177-R192 HydrophobicContact CB-CG 4.12Å; N177-R192 PolarHBondContact N-O 3.46Å; N177-R192 PolarHBondContact O-N 2.74Å; N177-R192 VanDerWaalsContact OD1-CZ 3.23Å; N177-R192 PolarHBondContact OD1-NE 3.1Å; N177-R192 PolarHBondContact OD1-NH2 3.49Å; N177-L194 HydrophobicContact CB-CD1 4.04Å; N177-L194 HydrophobicContact CB-CD2 3.76Å; N177-L194 HydrophobicContact CB-CG 3.94Å |
| 178 | V | 98.7 | Very high | 97 | Very high | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.012 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 104.7 | -174.2 | -167.5 | 0 | 0 | 0 | 0 | 109.1 | W149 V151 F180 P189 F190 M191 M229 | W149-V178 HydrophobicContact CB-CB 4.47Å; W149-V178 PolarHBondContact N-O 3.3Å; W149-V178 PolarHBondContact O-N 3.37Å; V151-V178 HydrophobicContact CG2-CG2 3.81Å; V178-F180 HydrophobicContact CB-CE2 4.2Å; V178-F180 HydrophobicContact CB-CZ 4.23Å; V178-F180 HydrophobicContact CG1-CD2 4.48Å; V178-F180 HydrophobicContact CG1-CE1 3.88Å; V178-F180 HydrophobicContact CG1-CE2 3.79Å; V178-F180 HydrophobicContact CG1-CZ 3.46Å; V178-F180 VanDerWaalsContact CG1-CZ 3.46Å; V178-P189 HydrophobicContact CG1-CB 3.67Å; V178-P189 HydrophobicContact CG1-CG 4.28Å; V178-F190 WeakPolarHBondContact CA-O 3.4Å; V178-M191 HydrophobicContact CG2-CG 4.2Å; V178-M229 HydrophobicContact CG2-CE 3.41Å; V178-M229 VanDerWaalsContact CG2-CE 3.41Å |
| 179 | T | 98.5 | Very high | 97.1 | Very high | 26 Ų | 26 | 42.6 Ų | 42.6 | 16% | 0.16 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 123.1 | 174.9 | -43.9 | 0 | 0 | 0 | 0 | 109.9 | D148 P189 F190 R256 | D148-T179 HydrophobicContact CB-CG2 4.37Å; D148-T179 VanDerWaalsContact CG-OG1 3.25Å; D148-T179 WeakPolarHBondContact OD1-CA 3Å; D148-T179 WeakPolarHBondContact OD1-CB 3.36Å; D148-T179 PolarHBondContact OD1-OG1 2.73Å; D148-T179 PolarHBondContact OD2-OG1 3.24Å; T179-P189 WeakPolarHBondContact O-CA 3.41Å; T179-F190 PolarHBondContact N-O 3.43Å; T179-F190 PolarHBondContact O-N 2.71Å; T179-R256 PolarHBondContact OG1-NH1 3.24Å |
| 180 | F | 98.4 | Very high | 97.4 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.009 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -93 | 128.2 | -177.9 | -59.4 | -88.4 | 0 | 0 | 0 | 111 | R118 L122 F147 W149 V178 F184 P189 V225 | R118-F180 PolarHBondContact NH2-O 2.78Å; L122-F180 HydrophobicContact CD1-CB 4.18Å; L122-F180 HydrophobicContact CD1-CD2 4.46Å; L122-F180 HydrophobicContact CD1-CG 4.26Å; L122-F180 HydrophobicContact CD2-CB 4.29Å; L122-F180 HydrophobicContact CD2-CD1 3.5Å; L122-F180 HydrophobicContact CD2-CD2 3.73Å; L122-F180 HydrophobicContact CD2-CE1 3.61Å; L122-F180 HydrophobicContact CD2-CE2 3.87Å; L122-F180 HydrophobicContact CD2-CG 3.55Å; L122-F180 HydrophobicContact CD2-CZ 3.79Å; F147-F180 PolarHBondContact O-N 3.32Å; W149-F180 HydrophobicContact CB-CE2 4.47Å; W149-F180 AromaticContact CD1-CE2 3.95Å; W149-F180 AromaticContact CD2-CE2 3.46Å; W149-F180 HydrophobicContact CD2-CE2 3.46Å; W149-F180 VanDerWaalsContact CD2-CE2 3.46Å; W149-F180 AromaticContact CD2-CZ 3.89Å; W149-F180 HydrophobicContact CD2-CZ 3.89Å; W149-F180 AromaticContact CE2-CE2 3.5Å; W149-F180 AromaticContact CE3-CE2 3.89Å; W149-F180 HydrophobicContact CE3-CE2 3.89Å; W149-F180 AromaticContact CE3-CZ 3.81Å; W149-F180 HydrophobicContact CE3-CZ 3.81Å; W149-F180 AromaticContact CG-CE2 3.75Å; W149-F180 HydrophobicContact CG-CE2 3.75Å; W149-F180 HydrophobicContact CH2-CE2 4.36Å; W149-F180 HydrophobicContact CH2-CZ 4.05Å; W149-F180 AromaticContact CZ2-CE2 3.96Å; W149-F180 HydrophobicContact CZ2-CE2 3.96Å; W149-F180 HydrophobicContact CZ2-CZ 4.1Å; W149-F180 HydrophobicContact CZ3-CE2 4.33Å; W149-F180 AromaticContact CZ3-CZ 3.91Å; W149-F180 HydrophobicContact CZ3-CZ 3.91Å; W149-F180 AromaticContact NE1-CE2 3.77Å; V178-F180 HydrophobicContact CB-CE2 4.2Å; V178-F180 HydrophobicContact CB-CZ 4.23Å; V178-F180 HydrophobicContact CG1-CD2 4.48Å; V178-F180 HydrophobicContact CG1-CE1 3.88Å; V178-F180 HydrophobicContact CG1-CE2 3.79Å; V178-F180 HydrophobicContact CG1-CZ 3.46Å; V178-F180 VanDerWaalsContact CG1-CZ 3.46Å; F180-F184 HydrophobicContact CB-CB 4.31Å; F180-F184 HydrophobicContact CB-CG 4.26Å; F180-F184 HydrophobicContact CD1-CD1 4.08Å; F180-F184 AromaticContact CD1-CD2 3.75Å; F180-F184 HydrophobicContact CD1-CD2 3.75Å; F180-F184 AromaticContact CD1-CE1 3.97Å; F180-F184 HydrophobicContact CD1-CE1 3.97Å; F180-F184 AromaticContact CD1-CE2 3.66Å; F180-F184 HydrophobicContact CD1-CE2 3.66Å; F180-F184 AromaticContact CD1-CG 3.97Å; F180-F184 HydrophobicContact CD1-CG 3.97Å; F180-F184 AromaticContact CD1-CZ 3.77Å; F180-F184 HydrophobicContact CD1-CZ 3.77Å; F180-F184 HydrophobicContact CE1-CE1 4.33Å; F180-F184 HydrophobicContact CE1-CE2 4Å; F180-F184 AromaticContact CE1-CZ 3.88Å; F180-F184 HydrophobicContact CE1-CZ 3.88Å; F180-P189 HydrophobicContact CD1-CB 3.74Å; F180-P189 HydrophobicContact CE1-CB 3.91Å; F180-P189 HydrophobicContact CE1-CG 4.39Å; F180-P189 HydrophobicContact CG-CB 4.46Å; F180-V225 HydrophobicContact CE1-CG2 3.77Å; F180-V225 HydrophobicContact CZ-CG2 3.94Å |
| 181 | P | 97.3 | Very high | 97.5 | Very high | 43 Ų | 43 | 36.9 Ų | 36.9 | 28% | 0.279 | 19% | 0.192 | S | C | . | . | P | Polyproline II helix | trans | -71.1 | 162.9 | 178.6 | 30.5 | -37.5 | 0 | 0 | 0 | 112.6 | R118 N183 F184 P188 | R118-P181 WeakPolarHBondContact CD-O 3.29Å; R118-P181 PolarHBondContact NE-O 3.13Å; R118-P181 VanDerWaalsContact NE-O 3.08Å; P181-N183 PolarHBondContact O-N 3.19Å; P181-N183 VanDerWaalsContact O-N 3.14Å; P181-F184 HydrophobicContact CG-CB 4.15Å; P181-F184 WeakPolarHBondContact O-CB 3.3Å; P181-F184 PolarHBondContact O-N 3.31Å; P181-P188 VanDerWaalsContact CD-O 3.31Å; P181-P188 WeakPolarHBondContact CD-O 3.31Å; P181-P188 VanDerWaalsContact CG-O 3.32Å; P181-P188 WeakPolarHBondContact CG-O 3.32Å |
| 182 | D | 96.3 | Very high | 97.7 | Very high | 113 Ų | 113 | 36.7 Ų | 36.7 | 60% | 0.604 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -27.4 | 178.3 | -66.1 | -17.8 | 0 | 0 | 0 | 113.7 | R118 | R118-D182 IonicContact CZ-OD1 3.34Å; R118-D182 IonicContact NH1-OD1 2.69Å; R118-D182 PolarHBondContact NH1-OD1 3.25Å; R118-D182 IonicContact NH2-OD1 3.11Å; R118-D182 PolarHBondContact NH2-OD1 3.07Å; R118-D182 VanDerWaalsContact NH2-OD1 3.1Å |
| 183 | N | 95.3 | Very high | 97.8 | Very high | 77 Ų | 77 | 29.2 Ų | 29.2 | 41% | 0.412 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 11.5 | 178.2 | -162.7 | 40.5 | 0 | 0 | 0 | 113.7 | P181 F186 S187 | P181-N183 PolarHBondContact O-N 3.19Å; P181-N183 VanDerWaalsContact O-N 3.14Å; N183-F186 WeakPolarHBondContact O-CA 3.5Å; N183-F186 WeakPolarHBondContact O-CB 3.26Å; N183-F186 PolarHBondContact O-N 3.38Å; N183-S187 PolarHBondContact ND2-OG 2.78Å; N183-S187 VanDerWaalsContact ND2-OG 3.15Å; N183-S187 PolarHBondContact O-N 3.12Å |
| 184 | F | 97.5 | Very high | 97.8 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 0% | 0.004 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | 134.5 | 174.4 | 180 | -96.7 | 0 | 0 | 0 | 110.5 | R118 R121 L122 F180 P181 W219 | R118-F184 WeakPolarHBondContact CA-O 3.36Å; R118-F184 WeakPolarHBondContact CB-O 3.31Å; R118-F184 HydrophobicContact CG-CB 4.33Å; R121-F184 HydrophobicContact CB-CE1 4.3Å; R121-F184 HydrophobicContact CG-CD1 4.35Å; R121-F184 HydrophobicContact CG-CE1 3.64Å; R121-F184 HydrophobicContact CG-CZ 4.31Å; L122-F184 HydrophobicContact CD1-CD1 4.33Å; L122-F184 HydrophobicContact CD2-CD1 3.83Å; L122-F184 HydrophobicContact CD2-CE1 3.42Å; L122-F184 VanDerWaalsContact CD2-CE1 3.42Å; L122-F184 HydrophobicContact CD2-CZ 4.16Å; L122-F184 HydrophobicContact CG-CD1 3.9Å; L122-F184 HydrophobicContact CG-CE1 3.8Å; F180-F184 HydrophobicContact CB-CB 4.31Å; F180-F184 HydrophobicContact CB-CG 4.26Å; F180-F184 HydrophobicContact CD1-CD1 4.08Å; F180-F184 AromaticContact CD1-CD2 3.75Å; F180-F184 HydrophobicContact CD1-CD2 3.75Å; F180-F184 AromaticContact CD1-CE1 3.97Å; F180-F184 HydrophobicContact CD1-CE1 3.97Å; F180-F184 AromaticContact CD1-CE2 3.66Å; F180-F184 HydrophobicContact CD1-CE2 3.66Å; F180-F184 AromaticContact CD1-CG 3.97Å; F180-F184 HydrophobicContact CD1-CG 3.97Å; F180-F184 AromaticContact CD1-CZ 3.77Å; F180-F184 HydrophobicContact CD1-CZ 3.77Å; F180-F184 HydrophobicContact CE1-CE1 4.33Å; F180-F184 HydrophobicContact CE1-CE2 4Å; F180-F184 AromaticContact CE1-CZ 3.88Å; F180-F184 HydrophobicContact CE1-CZ 3.88Å; P181-F184 HydrophobicContact CG-CB 4.15Å; P181-F184 WeakPolarHBondContact O-CB 3.3Å; P181-F184 PolarHBondContact O-N 3.31Å; F184-W219 HydrophobicContact CD2-CZ2 4.34Å; F184-W219 HydrophobicContact CE2-CH2 4.06Å; F184-W219 AromaticContact CE2-CZ2 3.78Å; F184-W219 HydrophobicContact CE2-CZ2 3.78Å |
| 185 | P | 96.9 | Very high | 97.6 | Very high | 10 Ų | 10 | 32.2 Ų | 32.2 | 7% | 0.065 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -95.1 | 10.2 | 12.4 | 38.1 | -36.9 | 0 | 0 | 0 | 115.8 | R121 S187 W219 S221 | R121-P185 HydrophobicContact CG-CB 4.16Å; R121-P185 HydrophobicContact CG-CG 4.11Å; P185-S187 PolarHBondContact O-N 3.33Å; P185-W219 PolarHBondContact O-NE1 3.37Å; P185-S221 WeakPolarHBondContact O-CA 3.35Å; P185-S221 WeakPolarHBondContact O-CB 3.26Å |
| 186 | F | 97.1 | Very high | 97.4 | Very high | 126 Ų | 126 | 31.5 Ų | 31.5 | 55% | 0.553 | 17% | 0.17 | S | C | * | . | S | Bend | trans | -77 | -6 | 178.4 | -48.4 | -71.3 | 0 | 0 | 0 | 113.4 | V117 N183 | V117-F186 HydrophobicContact CG1-CE2 4.02Å; V117-F186 HydrophobicContact CG1-CZ 4.26Å; N183-F186 WeakPolarHBondContact O-CA 3.5Å; N183-F186 WeakPolarHBondContact O-CB 3.26Å; N183-F186 PolarHBondContact O-N 3.38Å |
| 187 | S | 97.2 | Very high | 97.2 | Very high | 38 Ų | 38 | 34 Ų | 34 | 27% | 0.266 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -137.3 | 145.6 | 173.5 | -54.9 | 0 | 0 | 0 | 0 | 109.6 | N183 P185 | N183-S187 PolarHBondContact ND2-OG 2.78Å; N183-S187 VanDerWaalsContact ND2-OG 3.15Å; N183-S187 PolarHBondContact O-N 3.12Å; P185-S187 PolarHBondContact O-N 3.33Å |
| 188 | P | 97.9 | Very high | 96.9 | Very high | 19 Ų | 19 | 34 Ų | 34 | 12% | 0.123 | 18% | 0.18 | C | C | . | . | P | Polyproline II helix | trans | -65.1 | 151.2 | -174.5 | 23.2 | -32.2 | 0 | 0 | 0 | 112.8 | P181 L214 W219 | P181-P188 VanDerWaalsContact CD-O 3.31Å; P181-P188 WeakPolarHBondContact CD-O 3.31Å; P181-P188 VanDerWaalsContact CG-O 3.32Å; P181-P188 WeakPolarHBondContact CG-O 3.32Å; P188-L214 WeakPolarHBondContact CB-O 3.39Å; P188-L214 WeakPolarHBondContact CG-O 3.48Å; P188-W219 HydrophobicContact CB-CB 3.87Å; P188-W219 HydrophobicContact CB-CD2 3.67Å; P188-W219 HydrophobicContact CB-CE3 3.84Å; P188-W219 HydrophobicContact CB-CG 3.66Å; P188-W219 HydrophobicContact CG-CB 4.01Å; P188-W219 HydrophobicContact CG-CG 4.13Å |
| 189 | P | 98.2 | Very high | 96.6 | Very high | 7 Ų | 7 | 37 Ų | 37 | 5% | 0.045 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -65.9 | 147.5 | 164.7 | 30.7 | -33.7 | 0 | 0 | 0 | 110.7 | V178 T179 F180 W219 | V178-P189 HydrophobicContact CG1-CB 3.67Å; V178-P189 HydrophobicContact CG1-CG 4.28Å; T179-P189 WeakPolarHBondContact O-CA 3.41Å; F180-P189 HydrophobicContact CD1-CB 3.74Å; F180-P189 HydrophobicContact CE1-CB 3.91Å; F180-P189 HydrophobicContact CE1-CG 4.39Å; F180-P189 HydrophobicContact CG-CB 4.46Å; P189-W219 HydrophobicContact CG-CH2 4.45Å; P189-W219 HydrophobicContact CG-CZ3 4.38Å |
| 190 | F | 98.4 | Very high | 96.4 | Very high | 33 Ų | 33 | 40.5 Ų | 40.5 | 15% | 0.145 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 119.1 | 165.4 | 178.4 | -116.6 | 0 | 0 | 0 | 108.9 | V178 T179 A259 E260 F263 | V178-F190 WeakPolarHBondContact CA-O 3.4Å; T179-F190 PolarHBondContact N-O 3.43Å; T179-F190 PolarHBondContact O-N 2.71Å; F190-A259 HydrophobicContact CZ-CB 3.91Å; F190-E260 HydrophobicContact CD1-CG 4.41Å; F190-E260 HydrophobicContact CE1-CG 3.63Å; F190-E260 HydrophobicContact CE2-CG 4.29Å; F190-E260 HydrophobicContact CZ-CB 4.31Å; F190-E260 HydrophobicContact CZ-CG 3.57Å; F190-F263 HydrophobicContact CD2-CD1 4.26Å; F190-F263 HydrophobicContact CD2-CG 4.37Å; F190-F263 HydrophobicContact CE2-CB 3.98Å; F190-F263 HydrophobicContact CE2-CD1 4.26Å; F190-F263 HydrophobicContact CE2-CG 4.06Å |
| 191 | M | 98.4 | Very high | 96.2 | Very high | 5 Ų | 5 | 40.5 Ų | 40.5 | 3% | 0.025 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 134.8 | -174 | -175.4 | 179.7 | 160.9 | 0 | 0 | 110.5 | L176 N177 V178 I209 L214 V228 M229 F232 | L176-M191 HydrophobicContact CD1-CE 4.37Å; L176-M191 HydrophobicContact CD2-CE 3.9Å; N177-M191 WeakPolarHBondContact O-CA 3.23Å; V178-M191 HydrophobicContact CG2-CG 4.2Å; M191-I209 HydrophobicContact CB-CD1 4.41Å; M191-I209 HydrophobicContact CE-CD1 3.94Å; M191-I209 HydrophobicContact CG-CD1 3.78Å; M191-I209 HydrophobicContact SD-CD1 4.31Å; M191-L214 HydrophobicContact CB-CD1 4.13Å; M191-L214 HydrophobicContact CB-CD2 4.19Å; M191-L214 HydrophobicContact SD-CD1 4.27Å; M191-L214 HydrophobicContact SD-CD2 4.29Å; M191-V228 HydrophobicContact SD-CG1 3.71Å; M191-M229 HydrophobicContact CE-CE 3.51Å; M191-M229 HydrophobicContact CE-SD 3.52Å; M191-M229 VanDerWaalsContact CE-SD 3.52Å; M191-M229 HydrophobicContact CG-CE 4.47Å; M191-M229 HydrophobicContact SD-CE 3.79Å; M191-M229 HydrophobicContact SD-SD 4.5Å; M191-F232 HydrophobicContact CE-CB 3.88Å; M191-F232 HydrophobicContact CE-CD1 3.79Å; M191-F232 HydrophobicContact CE-CD2 4.44Å; M191-F232 HydrophobicContact CE-CE1 4.5Å; M191-F232 HydrophobicContact CE-CG 3.75Å |
| 192 | R | 98.3 | Very high | 96.1 | Very high | 29 Ų | 29 | 42.4 Ų | 42.4 | 11% | 0.109 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 153.5 | -177.5 | 65.2 | -177 | -179.6 | 103.4 | 7.1 | 112.5 | L176 N177 L194 G207 A259 | L176-R192 CarbonylContact C-O 3.55Å; L176-R192 VanDerWaalsContact CA-O 3.31Å; L176-R192 WeakPolarHBondContact CA-O 3.32Å; N177-R192 HydrophobicContact CB-CG 4.12Å; N177-R192 PolarHBondContact N-O 3.46Å; N177-R192 PolarHBondContact O-N 2.74Å; N177-R192 VanDerWaalsContact OD1-CZ 3.23Å; N177-R192 PolarHBondContact OD1-NE 3.1Å; N177-R192 PolarHBondContact OD1-NH2 3.49Å; R192-L194 HydrophobicContact CG-CD2 4.46Å; R192-G207 CarbonylContact C-O 3.55Å; R192-G207 VanDerWaalsContact CA-O 3.26Å; R192-G207 WeakPolarHBondContact CA-O 3.47Å; R192-G207 WeakPolarHBondContact CB-O 3.45Å; R192-A259 HydrophobicContact CB-CB 4.25Å |
| 193 | V | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 140.2 | 170.2 | -173 | 0 | 0 | 0 | 0 | 110 | I174 L176 L198 V203 G207 I209 F232 F254 | I174-V193 HydrophobicContact CG2-CG1 4.17Å; L176-V193 HydrophobicContact CD2-CB 4.49Å; L176-V193 HydrophobicContact CD2-CG2 3.91Å; V193-L198 HydrophobicContact CG1-CD1 4.25Å; V193-L198 HydrophobicContact CG2-CD1 4.42Å; V193-V203 HydrophobicContact CB-CG1 4.35Å; V193-V203 HydrophobicContact CG2-CG1 3.84Å; V193-V203 HydrophobicContact CG2-CG2 3.89Å; V193-G207 PolarHBondContact N-O 3Å; V193-I209 HydrophobicContact CG2-CD1 4.41Å; V193-I209 HydrophobicContact CG2-CG1 4.33Å; V193-F232 HydrophobicContact CG2-CZ 3.92Å; V193-F254 HydrophobicContact CB-CD2 4Å; V193-F254 HydrophobicContact CB-CE2 3.91Å; V193-F254 HydrophobicContact CG1-CD2 3.95Å; V193-F254 HydrophobicContact CG1-CE2 3.77Å |
| 194 | L | 96.7 | Very high | 96 | Very high | 41 Ų | 41 | 37.2 Ų | 37.2 | 22% | 0.215 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | -54.6 | 170.6 | -60.5 | -166.1 | 0 | 0 | 0 | 111.6 | L175 N177 R192 | L175-L194 HydrophobicContact CB-CB 4.28Å; L175-L194 HydrophobicContact CD2-CB 4.08Å; L175-L194 HydrophobicContact CD2-CD1 3.75Å; L175-L194 HydrophobicContact CD2-CG 4.45Å; L175-L194 HydrophobicContact CG-CB 4.13Å; L175-L194 HydrophobicContact CG-CD1 3.96Å; L175-L194 HydrophobicContact CG-CG 4.35Å; L175-L194 WeakPolarHBondContact O-CB 3.35Å; L175-L194 PolarHBondContact O-N 2.78Å; N177-L194 HydrophobicContact CB-CD1 4.04Å; N177-L194 HydrophobicContact CB-CD2 3.76Å; N177-L194 HydrophobicContact CB-CG 3.94Å; R192-L194 HydrophobicContact CG-CD2 4.46Å |
| 195 | T | 95.1 | Very high | 95.8 | Very high | 74 Ų | 74 | 42 Ų | 42 | 45% | 0.454 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 148.1 | -176.7 | -176.9 | 0 | 0 | 0 | 0 | 109.6 | L175 | L175-T195 HydrophobicContact CB-CG2 3.73Å; L175-T195 HydrophobicContact CD2-CG2 4Å; L175-T195 PolarHBondContact N-O 3.47Å; L175-T195 PolarHBondContact O-N 3.1Å |
| 196 | P | 94.8 | Very high | 95.6 | Very high | 12 Ų | 12 | 41.5 Ų | 41.5 | 8% | 0.078 | 21% | 0.209 | C | C | . | . | S | Bend | cis | -65.3 | 169.4 | -6.2 | 31.4 | -38 | 0 | 0 | 0 | 112.5 | T171 L198 I243 | T171-P196 HydrophobicContact CG2-CG 4.08Å; P196-L198 HydrophobicContact CG-CD2 4Å; P196-L198 HydrophobicContact CG-CG 4.41Å; P196-L198 PolarHBondContact O-N 3.21Å; P196-I243 HydrophobicContact CB-CD1 4.41Å; P196-I243 HydrophobicContact CB-CG1 4.35Å; P196-I243 HydrophobicContact CB-CG2 4.05Å; P196-I243 HydrophobicContact CG-CD1 3.92Å; P196-I243 HydrophobicContact CG-CG1 3.9Å |
| 197 | R | 92.8 | Very high | 95.6 | Very high | 51 Ų | 51 | 35.5 Ų | 35.5 | 19% | 0.192 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -71.1 | 116.3 | 164.9 | 176.1 | 173.7 | -87.8 | -88.7 | 5.8 | 108.2 | C244 S250 K252 F254 | R197-C244 HydrophobicContact CB-CB 4.13Å; R197-C244 HydrophobicContact CG-CB 3.85Å; R197-C244 VanDerWaalsContact O-CB 3.24Å; R197-C244 WeakPolarHBondContact O-CB 3.47Å; R197-C244 PolarHBondContact O-N 3.31Å; R197-S250 PolarHBondContact NE-O 3.11Å; R197-K252 PolarHBondContact NE-O 3.42Å; R197-K252 PolarHBondContact NH2-O 3.36Å; R197-F254 HydrophobicContact CB-CE2 4.41Å; R197-F254 HydrophobicContact CB-CZ 4.35Å; R197-F254 HydrophobicContact CG-CE1 4.13Å; R197-F254 HydrophobicContact CG-CE2 4.42Å; R197-F254 HydrophobicContact CG-CZ 3.88Å |
| 198 | L | 93.7 | Very high | 95.6 | Very high | 6 Ų | 6 | 33.7 Ų | 33.7 | 3% | 0.031 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 146.9 | 176.5 | -62.6 | 170.4 | 0 | 0 | 0 | 110.5 | L162 I174 V193 P196 V203 L236 R242 I243 | L162-L198 HydrophobicContact CD1-CD2 3.83Å; I174-L198 HydrophobicContact CD1-CD1 4.24Å; I174-L198 HydrophobicContact CG2-CD1 4.13Å; V193-L198 HydrophobicContact CG1-CD1 4.25Å; V193-L198 HydrophobicContact CG2-CD1 4.42Å; P196-L198 HydrophobicContact CG-CD2 4Å; P196-L198 HydrophobicContact CG-CG 4.41Å; P196-L198 PolarHBondContact O-N 3.21Å; L198-V203 HydrophobicContact CB-CB 4.3Å; L198-V203 HydrophobicContact CB-CG1 4.38Å; L198-V203 HydrophobicContact CB-CG2 4.31Å; L198-V203 HydrophobicContact CD1-CG2 4.09Å; L198-L236 HydrophobicContact CD1-CD1 4.45Å; L198-L236 HydrophobicContact CD1-CD2 3.79Å; L198-R242 CarbonylContact C-O 3.56Å; L198-R242 VanDerWaalsContact CA-O 3.3Å; L198-R242 WeakPolarHBondContact CA-O 3.43Å; L198-I243 HydrophobicContact CD2-CG1 3.93Å |
| 199 | E | 91.9 | Very high | 95.6 | Very high | 65 Ų | 65 | 32.9 Ų | 32.9 | 30% | 0.304 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 148.5 | 163.4 | -66.3 | -177.3 | 178.8 | 0 | 0 | 108 | G241 R242 C244 K246 | E199-G241 CarbonylContact O-C 3.53Å; E199-G241 WeakPolarHBondContact O-CA 3.49Å; E199-R242 PolarHBondContact N-O 3.31Å; E199-R242 PolarHBondContact O-N 3.05Å; E199-C244 HydrophobicContact CG-CB 4.07Å; E199-C244 PolarHBondContact OE1-SG 2.91Å; E199-K246 IonicContact OE1-NZ 2.92Å; E199-K246 PolarHBondContact OE1-NZ 2.96Å; E199-K246 IonicContact OE2-NZ 3.1Å; E199-K246 PolarHBondContact OE2-NZ 2.96Å |
| 200 | N | 93.1 | Very high | 95.4 | Very high | 99 Ų | 99 | 33.7 Ų | 33.7 | 53% | 0.529 | 17% | 0.17 | S | C | . | . | S | Bend | trans | 56.1 | -148.6 | -172.7 | -55.2 | -3.6 | 0 | 0 | 0 | 112.8 | Y202 V203 G239 Q240 | N200-Y202 PolarHBondContact O-N 3.4Å; N200-Y202 VanDerWaalsContact O-N 3.17Å; N200-V203 PolarHBondContact O-N 2.92Å; N200-G239 WeakPolarHBondContact CB-O 3.5Å; N200-Q240 WeakPolarHBondContact CB-O 3.32Å |
| 201 | G | 94.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | 21 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | V203 G239 | G201-V203 PolarHBondContact O-N 2.87Å; G201-G239 WeakPolarHBondContact CA-O 3.31Å; G201-G239 PolarHBondContact N-O 2.75Å |
| 202 | Y | 95.6 | Very high | 95.1 | Very high | 84 Ų | 84 | 35.8 Ų | 35.8 | 33% | 0.329 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 16.9 | -168.6 | -52.6 | -80.8 | 0 | 0 | 0 | 114.9 | N200 C210 S235 | N200-Y202 PolarHBondContact O-N 3.4Å; N200-Y202 VanDerWaalsContact O-N 3.17Å; Y202-C210 WeakPolarHBondContact CB-O 3.38Å; Y202-C210 WeakPolarHBondContact O-CB 3.34Å; Y202-C210 PolarHBondContact O-N 3.27Å; Y202-S235 VanDerWaalsContact CD2-O 3.3Å; Y202-S235 WeakPolarHBondContact CD2-O 3.42Å |
| 203 | V | 96.1 | Very high | 95 | Very high | 11 Ų | 11 | 34.9 Ų | 34.9 | 7% | 0.067 | 18% | 0.178 | C | C | . | . | B | Isolated β-bridge | trans | -90.6 | 133.1 | 171.2 | -175.9 | 0 | 0 | 0 | 0 | 109.4 | V193 L198 N200 G201 F232 L236 F254 | V193-V203 HydrophobicContact CB-CG1 4.35Å; V193-V203 HydrophobicContact CG2-CG1 3.84Å; V193-V203 HydrophobicContact CG2-CG2 3.89Å; L198-V203 HydrophobicContact CB-CB 4.3Å; L198-V203 HydrophobicContact CB-CG1 4.38Å; L198-V203 HydrophobicContact CB-CG2 4.31Å; L198-V203 HydrophobicContact CD1-CG2 4.09Å; N200-V203 PolarHBondContact O-N 2.92Å; G201-V203 PolarHBondContact O-N 2.87Å; V203-F232 HydrophobicContact CG2-CE2 4.23Å; V203-F232 HydrophobicContact CG2-CZ 4.24Å; V203-L236 HydrophobicContact CG2-CD2 3.69Å; V203-F254 HydrophobicContact CG1-CE2 4.27Å; V203-F254 HydrophobicContact CG1-CZ 3.98Å |
| 204 | L | 94.9 | Very high | 95 | Very high | 69 Ų | 69 | 35 Ų | 35 | 36% | 0.361 | 18% | 0.178 | S | C | . | . | trans | -120.6 | 178.2 | -173.9 | -55.2 | -178.5 | 0 | 0 | 0 | 111.8 | G207 A208 C210 T262 L266 | L204-G207 WeakPolarHBondContact O-CA 3.35Å; L204-G207 PolarHBondContact O-N 3.23Å; L204-A208 HydrophobicContact CB-CB 4.42Å; L204-A208 PolarHBondContact N-O 3.17Å; L204-A208 PolarHBondContact O-N 2.84Å; L204-C210 HydrophobicContact CD1-CB 4.01Å; L204-C210 HydrophobicContact CG-CB 4.3Å; L204-T262 HydrophobicContact CB-CG2 3.6Å; L204-T262 HydrophobicContact CD1-CG2 3.91Å; L204-T262 HydrophobicContact CG-CG2 4.44Å; L204-L266 HydrophobicContact CD1-CD1 3.75Å | ||
| 205 | D | 92.4 | Very high | 94.9 | Very high | 102 Ų | 102 | 33.2 Ų | 33.2 | 55% | 0.545 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -53.3 | 143.5 | -179.3 | -73.4 | -49.1 | 0 | 0 | 0 | 113.7 | G207 T262 | D205-G207 PolarHBondContact O-N 3.22Å; D205-T262 WeakPolarHBondContact O-CB 3.47Å; D205-T262 PolarHBondContact O-OG1 3.03Å |
| 206 | G | 92.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | 70.7 | -6.8 | -168.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | F254 S255 E258 A259 | G206-F254 CarbonylContact O-C 3.56Å; G206-F254 VanDerWaalsContact O-CB 3.26Å; G206-F254 WeakPolarHBondContact O-CB 3.42Å; G206-S255 PolarHBondContact O-N 3.45Å; G206-E258 VanDerWaalsContact CA-CG 3.49Å; G206-E258 WeakPolarHBondContact CA-OE1 3.48Å; G206-E258 PolarHBondContact N-OE1 2.89Å; G206-A259 WeakPolarHBondContact O-CB 3.5Å |
| 207 | G | 96 | Very high | 94.7 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | 94.2 | 15.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | R192 V193 L204 D205 | R192-G207 CarbonylContact C-O 3.55Å; R192-G207 VanDerWaalsContact CA-O 3.26Å; R192-G207 WeakPolarHBondContact CA-O 3.47Å; R192-G207 WeakPolarHBondContact CB-O 3.45Å; V193-G207 PolarHBondContact N-O 3Å; L204-G207 WeakPolarHBondContact O-CA 3.35Å; L204-G207 PolarHBondContact O-N 3.23Å; D205-G207 PolarHBondContact O-N 3.22Å |
| 208 | A | 97.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | B | Isolated β-bridge | trans | -65.4 | 151.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L204 A259 T262 F263 | L204-A208 HydrophobicContact CB-CB 4.42Å; L204-A208 PolarHBondContact N-O 3.17Å; L204-A208 PolarHBondContact O-N 2.84Å; A208-A259 HydrophobicContact CB-CB 4.21Å; A208-A259 WeakPolarHBondContact CB-O 3.37Å; A208-T262 HydrophobicContact CB-CG2 3.85Å; A208-F263 HydrophobicContact CB-CB 4.49Å |
| 209 | I | 97.7 | Very high | 95 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | B | Isolated β-bridge | trans | -113.7 | 130.6 | -176.2 | -61.4 | 171.5 | 0 | 0 | 0 | 109.9 | L176 M191 V193 M211 L214 F232 | L176-I209 HydrophobicContact CD2-CD1 3.99Å; M191-I209 HydrophobicContact CB-CD1 4.41Å; M191-I209 HydrophobicContact CE-CD1 3.94Å; M191-I209 HydrophobicContact CG-CD1 3.78Å; M191-I209 HydrophobicContact SD-CD1 4.31Å; V193-I209 HydrophobicContact CG2-CD1 4.41Å; V193-I209 HydrophobicContact CG2-CG1 4.33Å; I209-M211 HydrophobicContact CG2-CB 4.43Å; I209-M211 HydrophobicContact CG2-CG 3.71Å; I209-M211 HydrophobicContact CG2-SD 3.66Å; I209-L214 HydrophobicContact CB-CD1 4.05Å; I209-L214 HydrophobicContact CG2-CD1 3.79Å; I209-F232 HydrophobicContact CB-CE2 4.5Å; I209-F232 HydrophobicContact CD1-CD2 3.96Å; I209-F232 HydrophobicContact CD1-CE2 3.65Å; I209-F232 HydrophobicContact CD1-CZ 4Å; I209-F232 HydrophobicContact CG1-CD2 4.44Å; I209-F232 HydrophobicContact CG1-CE2 3.87Å; I209-F232 HydrophobicContact CG1-CZ 4.42Å; I209-F232 HydrophobicContact CG2-CD2 3.75Å; I209-F232 HydrophobicContact CG2-CE2 3.81Å |
| 210 | C | 95.6 | Very high | 95.3 | Very high | 24 Ų | 24 | 39.6 Ų | 39.6 | 16% | 0.162 | 20% | 0.204 | C | C | . | . | trans | -97.9 | 84.7 | 179.6 | -173.2 | 0 | 0 | 0 | 0 | 111.8 | Y202 L204 L266 | Y202-C210 WeakPolarHBondContact CB-O 3.38Å; Y202-C210 WeakPolarHBondContact O-CB 3.34Å; Y202-C210 PolarHBondContact O-N 3.27Å; L204-C210 HydrophobicContact CD1-CB 4.01Å; L204-C210 HydrophobicContact CG-CB 4.3Å; C210-L266 HydrophobicContact CB-CD1 3.65Å | ||
| 211 | M | 95.8 | Very high | 95.5 | Very high | 14 Ų | 14 | 37.3 Ų | 37.3 | 7% | 0.069 | 20% | 0.196 | C | C | . | . | trans | -137.5 | 128.7 | 175.4 | -62.9 | 172.9 | 85.4 | 0 | 0 | 110.2 | I209 L213 L214 Q231 F232 | I209-M211 HydrophobicContact CG2-CB 4.43Å; I209-M211 HydrophobicContact CG2-CG 3.71Å; I209-M211 HydrophobicContact CG2-SD 3.66Å; M211-L213 HydrophobicContact CB-CG 4.29Å; M211-L213 HydrophobicContact CE-CD2 3.66Å; M211-L213 HydrophobicContact CE-CG 4.49Å; M211-L213 PolarHBondContact O-N 2.91Å; M211-L214 HydrophobicContact CB-CD1 4.3Å; M211-L214 HydrophobicContact CB-CG 4.4Å; M211-L214 PolarHBondContact O-N 3.47Å; M211-L214 HydrophobicContact SD-CD1 4.28Å; M211-Q231 HydrophobicContact CE-CB 4.19Å; M211-Q231 HydrophobicContact CE-CG 3.82Å; M211-Q231 WeakPolarHBondContact CE-O 3.41Å; M211-F232 HydrophobicContact CE-CB 4.33Å; M211-F232 HydrophobicContact SD-CB 4.01Å; M211-F232 HydrophobicContact SD-CD2 3.87Å; M211-F232 HydrophobicContact SD-CG 4.44Å | ||
| 212 | E | 94.9 | Very high | 95.6 | Very high | 68 Ų | 68 | 41.1 Ų | 41.1 | 32% | 0.318 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -52.5 | -40.8 | 179.8 | 174.7 | 165.1 | -146.3 | 0 | 0 | 112.4 | L214 T215 G218 W275 | E212-L214 PolarHBondContact O-N 3.28Å; E212-T215 WeakPolarHBondContact O-CB 3.43Å; E212-T215 PolarHBondContact O-N 2.88Å; E212-T215 PolarHBondContact O-OG1 2.8Å; E212-G218 WeakPolarHBondContact O-CA 3.31Å; E212-W275 HydrophobicContact CB-CD2 3.67Å; E212-W275 HydrophobicContact CB-CE3 4.03Å; E212-W275 HydrophobicContact CB-CG 4Å; E212-W275 HydrophobicContact CB-CH2 4.42Å; E212-W275 HydrophobicContact CB-CZ2 4.09Å; E212-W275 HydrophobicContact CB-CZ3 4.38Å; E212-W275 HydrophobicContact CG-CD2 4.08Å; E212-W275 HydrophobicContact CG-CG 3.94Å |
| 213 | L | 96.1 | Very high | 95.8 | Very high | 10 Ų | 10 | 41.3 Ų | 41.3 | 5% | 0.052 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -61.1 | -26.6 | -178.8 | 78.2 | 91.3 | 0 | 0 | 0 | 114.1 | M211 T215 W219 Y223 V228 Q231 | M211-L213 HydrophobicContact CB-CG 4.29Å; M211-L213 HydrophobicContact CE-CD2 3.66Å; M211-L213 HydrophobicContact CE-CG 4.49Å; M211-L213 PolarHBondContact O-N 2.91Å; L213-T215 PolarHBondContact O-N 2.66Å; L213-W219 VanDerWaalsContact O-CA 3.24Å; L213-W219 WeakPolarHBondContact O-CA 3.36Å; L213-W219 WeakPolarHBondContact O-CB 3.38Å; L213-W219 PolarHBondContact O-N 3.39Å; L213-Y223 HydrophobicContact CB-CE2 4.01Å; L213-V228 HydrophobicContact CD1-CB 4.49Å; L213-V228 HydrophobicContact CD1-CG1 4.15Å; L213-V228 HydrophobicContact CD1-CG2 3.84Å; L213-Q231 HydrophobicContact CD2-CB 4.41Å; L213-Q231 HydrophobicContact CD2-CG 4.02Å; L213-Q231 VanDerWaalsContact CD2-OE1 3.3Å |
| 214 | L | 97 | Very high | 95.9 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -83.6 | -0.2 | 177.5 | -68 | 174.4 | 0 | 0 | 0 | 112.3 | P188 M191 I209 M211 E212 V228 F263 | P188-L214 WeakPolarHBondContact CB-O 3.39Å; P188-L214 WeakPolarHBondContact CG-O 3.48Å; M191-L214 HydrophobicContact CB-CD1 4.13Å; M191-L214 HydrophobicContact CB-CD2 4.19Å; M191-L214 HydrophobicContact SD-CD1 4.27Å; M191-L214 HydrophobicContact SD-CD2 4.29Å; I209-L214 HydrophobicContact CB-CD1 4.05Å; I209-L214 HydrophobicContact CG2-CD1 3.79Å; M211-L214 HydrophobicContact CB-CD1 4.3Å; M211-L214 HydrophobicContact CB-CG 4.4Å; M211-L214 PolarHBondContact O-N 3.47Å; M211-L214 HydrophobicContact SD-CD1 4.28Å; E212-L214 PolarHBondContact O-N 3.28Å; L214-V228 HydrophobicContact CD2-CG1 4.02Å; L214-F263 WeakPolarHBondContact O-CZ 3.38Å |
| 215 | T | 95.8 | Very high | 96 | Very high | 4 Ų | 4 | 40 Ų | 40 | 3% | 0.025 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -106 | 157.1 | 179.8 | 74.7 | 0 | 0 | 0 | 0 | 112.1 | E212 L213 R217 G218 W219 F263 L266 V267 W275 | E212-T215 WeakPolarHBondContact O-CB 3.43Å; E212-T215 PolarHBondContact O-N 2.88Å; E212-T215 PolarHBondContact O-OG1 2.8Å; L213-T215 PolarHBondContact O-N 2.66Å; T215-R217 PolarHBondContact O-N 3Å; T215-G218 PolarHBondContact O-N 2.86Å; T215-G218 VanDerWaalsContact O-N 3.09Å; T215-W219 WeakPolarHBondContact O-CB 3.41Å; T215-W219 PolarHBondContact O-N 2.85Å; T215-F263 HydrophobicContact CG2-CE2 4.19Å; T215-F263 HydrophobicContact CG2-CZ 4.38Å; T215-L266 HydrophobicContact CG2-CD2 4.03Å; T215-V267 HydrophobicContact CG2-CG2 3.88Å; T215-W275 HydrophobicContact CG2-CH2 4.4Å; T215-W275 HydrophobicContact CG2-CZ2 3.71Å |
| 216 | P | 94.2 | Very high | 96.2 | Very high | 98 Ų | 98 | 36.9 Ų | 36.9 | 64% | 0.636 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -19.4 | -179.9 | -26.7 | 35.9 | 0 | 0 | 0 | 115.4 | ||
| 217 | R | 91.4 | Very high | 96.4 | Very high | 155 Ų | 155 | 38.7 Ų | 38.7 | 59% | 0.585 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -39.5 | 176.7 | 178.6 | -177.7 | -72.2 | -90.7 | 4.1 | 113 | T215 | T215-R217 PolarHBondContact O-N 3Š|
| 218 | G | 94.7 | Very high | 96.5 | Very high | 15 Ų | 15 | 39 Ų | 39 | 16% | 0.155 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -14.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | E212 T215 Y223 | E212-G218 WeakPolarHBondContact O-CA 3.31Å; T215-G218 PolarHBondContact O-N 2.86Å; T215-G218 VanDerWaalsContact O-N 3.09Å; G218-Y223 WeakPolarHBondContact O-CE2 3.39Å |
| 219 | W | 97.6 | Very high | 96.5 | Very high | 29 Ų | 29 | 39 Ų | 39 | 11% | 0.11 | 22% | 0.221 | C | C | . | . | trans | -66 | 134.4 | -179.6 | 177.6 | -105.9 | 0 | 0 | 0 | 112 | F184 P185 P188 P189 L213 T215 Y223 V228 | F184-W219 HydrophobicContact CD2-CZ2 4.34Å; F184-W219 HydrophobicContact CE2-CH2 4.06Å; F184-W219 AromaticContact CE2-CZ2 3.78Å; F184-W219 HydrophobicContact CE2-CZ2 3.78Å; P185-W219 PolarHBondContact O-NE1 3.37Å; P188-W219 HydrophobicContact CB-CB 3.87Å; P188-W219 HydrophobicContact CB-CD2 3.67Å; P188-W219 HydrophobicContact CB-CE3 3.84Å; P188-W219 HydrophobicContact CB-CG 3.66Å; P188-W219 HydrophobicContact CG-CB 4.01Å; P188-W219 HydrophobicContact CG-CG 4.13Å; P189-W219 HydrophobicContact CG-CH2 4.45Å; P189-W219 HydrophobicContact CG-CZ3 4.38Å; L213-W219 VanDerWaalsContact O-CA 3.24Å; L213-W219 WeakPolarHBondContact O-CA 3.36Å; L213-W219 WeakPolarHBondContact O-CB 3.38Å; L213-W219 PolarHBondContact O-N 3.39Å; T215-W219 WeakPolarHBondContact O-CB 3.41Å; T215-W219 PolarHBondContact O-N 2.85Å; W219-Y223 AromaticContact CE3-CD2 3.95Å; W219-Y223 HydrophobicContact CE3-CD2 3.95Å; W219-Y223 HydrophobicContact CZ3-CD2 4.11Å; W219-V228 HydrophobicContact CZ3-CG2 4.1Å | ||
| 220 | S | 97.9 | Very high | 96.5 | Very high | 44 Ų | 44 | 42.6 Ų | 42.6 | 31% | 0.308 | 24% | 0.235 | S | C | . | . | trans | -121.3 | 134 | 167.1 | 178.8 | 0 | 0 | 0 | 0 | 109 | A222 Y223 | S220-A222 PolarHBondContact O-N 3.13Å; S220-A222 WeakPolarHBondContact OG-CB 3.37Å; S220-A222 PolarHBondContact OG-N 2.82Å; S220-Y223 VanDerWaalsContact N-CE2 3.3Å; S220-Y223 WeakPolarHBondContact O-CD2 3.47Å; S220-Y223 PolarHBondContact O-N 2.97Å | ||
| 221 | S | 97.5 | Very high | 96.6 | Very high | 52 Ų | 52 | 46.3 Ų | 46.3 | 36% | 0.364 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -12.4 | 172.9 | 62 | 0 | 0 | 0 | 0 | 112.9 | R121 P185 | R121-S221 PolarHBondContact NH1-O 2.92Å; R121-S221 PolarHBondContact NH2-O 2.9Å; P185-S221 WeakPolarHBondContact O-CA 3.35Å; P185-S221 WeakPolarHBondContact O-CB 3.26Å |
| 222 | A | 97.2 | Very high | 96.8 | Very high | 80 Ų | 80 | 45.7 Ų | 45.7 | 66% | 0.661 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -17.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | S220 | S220-A222 PolarHBondContact O-N 3.13Å; S220-A222 WeakPolarHBondContact OG-CB 3.37Å; S220-A222 PolarHBondContact OG-N 2.82Å |
| 223 | Y | 98.2 | Very high | 96.9 | Very high | 88 Ų | 88 | 42.7 Ų | 42.7 | 35% | 0.345 | 23% | 0.234 | S | C | . | . | trans | -69.9 | 136 | 177.6 | -59.3 | -40.9 | 0 | 0 | 0 | 111.3 | R121 L213 G218 W219 S220 | R121-Y223 PolarHBondContact NH2-O 3.49Å; L213-Y223 HydrophobicContact CB-CE2 4.01Å; G218-Y223 WeakPolarHBondContact O-CE2 3.39Å; W219-Y223 AromaticContact CE3-CD2 3.95Å; W219-Y223 HydrophobicContact CE3-CD2 3.95Å; W219-Y223 HydrophobicContact CZ3-CD2 4.11Å; S220-Y223 VanDerWaalsContact N-CE2 3.3Å; S220-Y223 WeakPolarHBondContact O-CD2 3.47Å; S220-Y223 PolarHBondContact O-N 2.97Å | ||
| 224 | T | 97.8 | Very high | 97 | Very high | 47 Ų | 47 | 45 Ų | 45 | 29% | 0.288 | 26% | 0.255 | S | S | . | . | trans | -85.5 | 155.1 | 168.6 | 59.3 | 0 | 0 | 0 | 0 | 110.4 | E125 E226 A227 V228 | E125-T224 VanDerWaalsContact OE2-CA 3.32Å; E125-T224 WeakPolarHBondContact OE2-CA 3.13Å; E125-T224 WeakPolarHBondContact OE2-CB 3.48Å; T224-E226 PolarHBondContact O-N 3.31Å; T224-A227 PolarHBondContact O-N 2.95Å; T224-A227 VanDerWaalsContact OG1-CB 3.23Å; T224-A227 WeakPolarHBondContact OG1-CB 3.37Å; T224-A227 PolarHBondContact OG1-N 3.28Å; T224-A227 VanDerWaalsContact OG1-N 3.1Å; T224-V228 VanDerWaalsContact O-CG2 3.31Å; T224-V228 WeakPolarHBondContact O-CG2 3.48Å; T224-V228 PolarHBondContact O-N 3.04Å; T224-V228 VanDerWaalsContact O-N 3.1Å | ||
| 225 | V | 97.5 | Very high | 97 | Very high | 5 Ų | 5 | 45.7 Ų | 45.7 | 3% | 0.03 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.2 | -33.7 | 175.3 | -178.9 | 0 | 0 | 0 | 0 | 110.5 | E125 I129 W149 F180 V228 M229 | E125-V225 HydrophobicContact CB-CG2 4.23Å; E125-V225 HydrophobicContact CG-CG2 4.01Å; E125-V225 PolarHBondContact OE2-N 3.41Å; I129-V225 HydrophobicContact CD1-CB 4.33Å; I129-V225 HydrophobicContact CD1-CG1 4.48Å; W149-V225 HydrophobicContact CE3-CG1 4.38Å; W149-V225 HydrophobicContact CH2-CG2 4.48Å; W149-V225 HydrophobicContact CZ3-CB 4.3Å; W149-V225 HydrophobicContact CZ3-CG1 3.94Å; W149-V225 HydrophobicContact CZ3-CG2 4.21Å; F180-V225 HydrophobicContact CE1-CG2 3.77Å; F180-V225 HydrophobicContact CZ-CG2 3.94Å; V225-V228 PolarHBondContact O-N 2.66Å; V225-M229 HydrophobicContact CG1-CE 4.45Å; V225-M229 VanDerWaalsContact O-CG 3.24Å; V225-M229 WeakPolarHBondContact O-CG 3.49Å; V225-M229 PolarHBondContact O-N 3.42Å |
| 226 | E | 96.7 | Very high | 97.1 | Very high | 38 Ų | 38 | 45.5 Ų | 45.5 | 18% | 0.178 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.6 | -45.2 | 175 | 174.6 | -97 | -169.7 | 0 | 0 | 112.8 | I129 L132 I137 T224 V228 M229 R230 | I129-E226 HydrophobicContact CG1-CB 4.07Å; L132-E226 HydrophobicContact CD1-CB 4.47Å; L132-E226 HydrophobicContact CD1-CG 3.68Å; I137-E226 HydrophobicContact CD1-CB 4.49Å; T224-E226 PolarHBondContact O-N 3.31Å; E226-V228 VanDerWaalsContact C-N 3.32Å; E226-V228 PolarHBondContact O-N 3.3Å; E226-M229 PolarHBondContact O-N 3.22Å; E226-M229 VanDerWaalsContact O-N 3.13Å; E226-R230 PolarHBondContact O-N 3.31Å; E226-R230 IonicContact OE1-CZ 3.26Å; E226-R230 IonicContact OE1-NE 2.97Å; E226-R230 PolarHBondContact OE1-NE 3.05Å; E226-R230 IonicContact OE1-NH2 2.67Å; E226-R230 PolarHBondContact OE1-NH2 3.05Å |
| 227 | A | 97.4 | Very high | 97.2 | Very high | 38 Ų | 38 | 42.7 Ų | 42.7 | 31% | 0.314 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.6 | -37.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T224 M229 R230 Q231 | T224-A227 PolarHBondContact O-N 2.95Å; T224-A227 VanDerWaalsContact OG1-CB 3.23Å; T224-A227 WeakPolarHBondContact OG1-CB 3.37Å; T224-A227 PolarHBondContact OG1-N 3.28Å; T224-A227 VanDerWaalsContact OG1-N 3.1Å; A227-M229 VanDerWaalsContact C-N 3.33Å; A227-M229 PolarHBondContact O-N 2.86Å; A227-R230 PolarHBondContact O-N 3.36Å; A227-Q231 WeakPolarHBondContact O-CB 3.17Å; A227-Q231 PolarHBondContact O-N 3.02Å |
| 228 | V | 98.3 | Very high | 97.4 | Very high | 5 Ų | 5 | 41.3 Ų | 41.3 | 3% | 0.03 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.1 | -44.5 | 171.6 | 170.5 | 0 | 0 | 0 | 0 | 111 | M191 L213 L214 W219 T224 V225 E226 Q231 F232 | M191-V228 HydrophobicContact SD-CG1 3.71Å; L213-V228 HydrophobicContact CD1-CB 4.49Å; L213-V228 HydrophobicContact CD1-CG1 4.15Å; L213-V228 HydrophobicContact CD1-CG2 3.84Å; L214-V228 HydrophobicContact CD2-CG1 4.02Å; W219-V228 HydrophobicContact CZ3-CG2 4.1Å; T224-V228 VanDerWaalsContact O-CG2 3.31Å; T224-V228 WeakPolarHBondContact O-CG2 3.48Å; T224-V228 PolarHBondContact O-N 3.04Å; T224-V228 VanDerWaalsContact O-N 3.1Å; V225-V228 PolarHBondContact O-N 2.66Å; E226-V228 VanDerWaalsContact C-N 3.32Å; E226-V228 PolarHBondContact O-N 3.3Å; V228-Q231 PolarHBondContact O-N 3.06Å; V228-F232 WeakPolarHBondContact O-CB 3.44Å; V228-F232 PolarHBondContact O-N 3.49Å |
| 229 | M | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.7 | -42.4 | 178.7 | -69.6 | -70.2 | 160.8 | 0 | 0 | 112.7 | I137 V151 L176 V178 M191 V225 E226 A227 F232 A233 | I137-M229 HydrophobicContact CD1-CB 4.24Å; I137-M229 HydrophobicContact CD1-CG 4.09Å; I137-M229 HydrophobicContact CG2-CB 3.96Å; I137-M229 HydrophobicContact CG2-CG 4.17Å; V151-M229 HydrophobicContact CB-CE 3.95Å; V151-M229 HydrophobicContact CB-SD 4.31Å; V151-M229 HydrophobicContact CG1-CE 3.95Å; V151-M229 HydrophobicContact CG1-CG 4.24Å; V151-M229 HydrophobicContact CG1-SD 3.8Å; V151-M229 HydrophobicContact CG2-CE 3.94Å; L176-M229 HydrophobicContact CD1-SD 3.94Å; V178-M229 HydrophobicContact CG2-CE 3.41Å; V178-M229 VanDerWaalsContact CG2-CE 3.41Å; M191-M229 HydrophobicContact CE-CE 3.51Å; M191-M229 HydrophobicContact CE-SD 3.52Å; M191-M229 VanDerWaalsContact CE-SD 3.52Å; M191-M229 HydrophobicContact CG-CE 4.47Å; M191-M229 HydrophobicContact SD-CE 3.79Å; M191-M229 HydrophobicContact SD-SD 4.5Å; V225-M229 HydrophobicContact CG1-CE 4.45Å; V225-M229 VanDerWaalsContact O-CG 3.24Å; V225-M229 WeakPolarHBondContact O-CG 3.49Å; V225-M229 PolarHBondContact O-N 3.42Å; E226-M229 PolarHBondContact O-N 3.22Å; E226-M229 VanDerWaalsContact O-N 3.13Å; A227-M229 VanDerWaalsContact C-N 3.33Å; A227-M229 PolarHBondContact O-N 2.86Å; M229-F232 PolarHBondContact O-N 3.19Å; M229-A233 PolarHBondContact O-N 3.43Å |
| 230 | R | 97.6 | Very high | 97.4 | Very high | 79 Ų | 79 | 47 Ų | 47 | 30% | 0.298 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 174.5 | -66.4 | -167 | -159.5 | -85.4 | -1.1 | 112 | D134 F136 E226 A227 F232 A233 A234 | D134-R230 IonicContact OD1-NH2 2.91Å; D134-R230 IonicContact OD2-CZ 2.73Å; D134-R230 IonicContact OD2-NH1 3.97Å; D134-R230 PolarHBondContact OD2-NH1 2.91Å; D134-R230 IonicContact OD2-NH2 3.87Å; D134-R230 PolarHBondContact OD2-NH2 2.87Å; F136-R230 HydrophobicContact CD1-CG 3.86Å; F136-R230 HydrophobicContact CE1-CB 4.18Å; F136-R230 HydrophobicContact CE1-CG 3.52Å; F136-R230 HydrophobicContact CE2-CG 4.38Å; F136-R230 HydrophobicContact CG-CG 4.47Å; F136-R230 VanDerWaalsContact CG-NH1 3.27Å; F136-R230 HydrophobicContact CZ-CB 4.25Å; F136-R230 HydrophobicContact CZ-CG 3.81Å; E226-R230 PolarHBondContact O-N 3.31Å; E226-R230 IonicContact OE1-CZ 3.26Å; E226-R230 IonicContact OE1-NE 2.97Å; E226-R230 PolarHBondContact OE1-NE 3.05Å; E226-R230 IonicContact OE1-NH2 2.67Å; E226-R230 PolarHBondContact OE1-NH2 3.05Å; A227-R230 PolarHBondContact O-N 3.36Å; R230-F232 VanDerWaalsContact C-N 3.32Å; R230-F232 PolarHBondContact O-N 3.23Å; R230-A233 PolarHBondContact O-N 3.21Å; R230-A234 PolarHBondContact O-N 2.72Å |
| 231 | Q | 97.9 | Very high | 97.3 | Very high | 102 Ų | 102 | 45 Ų | 45 | 48% | 0.477 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -68 | -33.7 | 178.3 | -167.3 | 171.2 | -8 | 0 | 0 | 111.8 | M211 L213 A227 V228 S235 | M211-Q231 HydrophobicContact CE-CB 4.19Å; M211-Q231 HydrophobicContact CE-CG 3.82Å; M211-Q231 WeakPolarHBondContact CE-O 3.41Å; L213-Q231 HydrophobicContact CD2-CB 4.41Å; L213-Q231 HydrophobicContact CD2-CG 4.02Å; L213-Q231 VanDerWaalsContact CD2-OE1 3.3Å; A227-Q231 WeakPolarHBondContact O-CB 3.17Å; A227-Q231 PolarHBondContact O-N 3.02Å; V228-Q231 PolarHBondContact O-N 3.06Å; Q231-S235 WeakPolarHBondContact O-CB 3.44Å; Q231-S235 PolarHBondContact O-N 3.12Å |
| 232 | F | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.1 | -47.8 | 170.8 | 173.5 | -111.1 | 0 | 0 | 0 | 111.6 | L153 L176 M191 V193 V203 I209 M211 V228 M229 R230 A234 S235 L236 | L153-F232 HydrophobicContact CD2-CD1 4.13Å; L153-F232 HydrophobicContact CD2-CE1 4.26Å; L176-F232 HydrophobicContact CD1-CD1 4.05Å; L176-F232 HydrophobicContact CD1-CE1 3.87Å; L176-F232 HydrophobicContact CD2-CD1 4.04Å; L176-F232 HydrophobicContact CD2-CE1 3.44Å; L176-F232 VanDerWaalsContact CD2-CE1 3.44Å; L176-F232 HydrophobicContact CD2-CZ 3.87Å; L176-F232 HydrophobicContact CG-CE1 4.22Å; M191-F232 HydrophobicContact CE-CB 3.88Å; M191-F232 HydrophobicContact CE-CD1 3.79Å; M191-F232 HydrophobicContact CE-CD2 4.44Å; M191-F232 HydrophobicContact CE-CE1 4.5Å; M191-F232 HydrophobicContact CE-CG 3.75Å; V193-F232 HydrophobicContact CG2-CZ 3.92Å; V203-F232 HydrophobicContact CG2-CE2 4.23Å; V203-F232 HydrophobicContact CG2-CZ 4.24Å; I209-F232 HydrophobicContact CB-CE2 4.5Å; I209-F232 HydrophobicContact CD1-CD2 3.96Å; I209-F232 HydrophobicContact CD1-CE2 3.65Å; I209-F232 HydrophobicContact CD1-CZ 4Å; I209-F232 HydrophobicContact CG1-CD2 4.44Å; I209-F232 HydrophobicContact CG1-CE2 3.87Å; I209-F232 HydrophobicContact CG1-CZ 4.42Å; I209-F232 HydrophobicContact CG2-CD2 3.75Å; I209-F232 HydrophobicContact CG2-CE2 3.81Å; M211-F232 HydrophobicContact CE-CB 4.33Å; M211-F232 HydrophobicContact SD-CB 4.01Å; M211-F232 HydrophobicContact SD-CD2 3.87Å; M211-F232 HydrophobicContact SD-CG 4.44Å; V228-F232 WeakPolarHBondContact O-CB 3.44Å; V228-F232 PolarHBondContact O-N 3.49Å; M229-F232 PolarHBondContact O-N 3.19Å; R230-F232 VanDerWaalsContact C-N 3.32Å; R230-F232 PolarHBondContact O-N 3.23Å; F232-A234 VanDerWaalsContact C-N 3.32Å; F232-A234 PolarHBondContact O-N 3.05Å; F232-S235 WeakPolarHBondContact CA-OG 3.37Å; F232-S235 CarbonylContact O-C 3.56Å; F232-S235 WeakPolarHBondContact O-CA 3.34Å; F232-S235 PolarHBondContact O-N 3.02Å; F232-S235 PolarHBondContact O-OG 2.96Å; F232-L236 HydrophobicContact CD1-CD1 4.2Å; F232-L236 HydrophobicContact CD2-CG 4.48Å; F232-L236 HydrophobicContact CE1-CD1 3.54Å; F232-L236 HydrophobicContact CE1-CD2 4.39Å; F232-L236 HydrophobicContact CE1-CG 3.98Å; F232-L236 HydrophobicContact CE2-CD1 4.42Å; F232-L236 HydrophobicContact CE2-CD2 3.93Å; F232-L236 HydrophobicContact CE2-CG 3.95Å; F232-L236 HydrophobicContact CZ-CD1 3.69Å; F232-L236 HydrophobicContact CZ-CD2 3.66Å; F232-L236 HydrophobicContact CZ-CG 3.68Å; F232-L236 PolarHBondContact O-N 2.99Å |
| 233 | A | 98.1 | Very high | 97.1 | Very high | 5 Ų | 5 | 44 Ų | 44 | 4% | 0.041 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.3 | -42.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F136 L153 M229 R230 S235 L236 V237 | F136-A233 HydrophobicContact CE1-CB 4.43Å; F136-A233 HydrophobicContact CZ-CB 3.72Å; L153-A233 HydrophobicContact CD1-CB 4.04Å; L153-A233 HydrophobicContact CD2-CB 3.82Å; M229-A233 PolarHBondContact O-N 3.43Å; R230-A233 PolarHBondContact O-N 3.21Å; A233-S235 VanDerWaalsContact C-N 3.35Å; A233-L236 WeakPolarHBondContact O-CB 3.4Å; A233-L236 PolarHBondContact O-N 3.14Å; A233-V237 PolarHBondContact O-N 3.47Å |
| 234 | A | 97.4 | Very high | 96.7 | Very high | 60 Ų | 60 | 40.9 Ų | 40.9 | 50% | 0.496 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -65 | -36.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R230 F232 V237 K238 | R230-A234 PolarHBondContact O-N 2.72Å; F232-A234 VanDerWaalsContact C-N 3.32Å; F232-A234 PolarHBondContact O-N 3.05Å; A234-V237 PolarHBondContact O-N 3.2Å; A234-K238 WeakPolarHBondContact O-CB 3.39Å; A234-K238 PolarHBondContact O-N 3.18Å |
| 235 | S | 96.9 | Very high | 96 | Very high | 15 Ų | 15 | 43.8 Ų | 43.8 | 11% | 0.105 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.6 | -34 | 176.7 | 76.1 | 0 | 0 | 0 | 0 | 113.1 | Y202 Q231 F232 A233 G239 | Y202-S235 VanDerWaalsContact CD2-O 3.3Å; Y202-S235 WeakPolarHBondContact CD2-O 3.42Å; Q231-S235 WeakPolarHBondContact O-CB 3.44Å; Q231-S235 PolarHBondContact O-N 3.12Å; F232-S235 WeakPolarHBondContact CA-OG 3.37Å; F232-S235 CarbonylContact O-C 3.56Å; F232-S235 WeakPolarHBondContact O-CA 3.34Å; F232-S235 PolarHBondContact O-N 3.02Å; F232-S235 PolarHBondContact O-OG 2.96Å; A233-S235 VanDerWaalsContact C-N 3.35Å; S235-G239 WeakPolarHBondContact O-CA 3.45Å; S235-G239 PolarHBondContact O-N 3.08Å |
| 236 | L | 97.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.2 | -47 | 172.1 | -74.4 | 175.7 | 0 | 0 | 0 | 111.4 | L153 L162 I174 L198 V203 F232 A233 Q240 G241 | L153-L236 HydrophobicContact CD2-CD1 4.26Å; L162-L236 HydrophobicContact CD2-CB 3.71Å; L162-L236 HydrophobicContact CD2-CD1 4Å; L162-L236 HydrophobicContact CD2-CG 4.36Å; I174-L236 HydrophobicContact CD1-CD1 3.61Å; L198-L236 HydrophobicContact CD1-CD1 4.45Å; L198-L236 HydrophobicContact CD1-CD2 3.79Å; V203-L236 HydrophobicContact CG2-CD2 3.69Å; F232-L236 HydrophobicContact CD1-CD1 4.2Å; F232-L236 HydrophobicContact CD2-CG 4.48Å; F232-L236 HydrophobicContact CE1-CD1 3.54Å; F232-L236 HydrophobicContact CE1-CD2 4.39Å; F232-L236 HydrophobicContact CE1-CG 3.98Å; F232-L236 HydrophobicContact CE2-CD1 4.42Å; F232-L236 HydrophobicContact CE2-CD2 3.93Å; F232-L236 HydrophobicContact CE2-CG 3.95Å; F232-L236 HydrophobicContact CZ-CD1 3.69Å; F232-L236 HydrophobicContact CZ-CD2 3.66Å; F232-L236 HydrophobicContact CZ-CG 3.68Å; F232-L236 PolarHBondContact O-N 2.99Å; A233-L236 WeakPolarHBondContact O-CB 3.4Å; A233-L236 PolarHBondContact O-N 3.14Å; L236-Q240 PolarHBondContact O-N 3.1Å; L236-G241 WeakPolarHBondContact O-CA 3.22Å; L236-G241 PolarHBondContact O-N 3.44Å |
| 237 | V | 96.9 | Very high | 92.6 | Very high | 39 Ų | 39 | 52.9 Ų | 52.9 | 24% | 0.236 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.1 | -52.2 | 178.5 | 175.1 | 0 | 0 | 0 | 0 | 110.8 | V156 D157 A233 A234 G239 Q240 | V156-V237 HydrophobicContact CB-CG2 4.44Å; D157-V237 HydrophobicContact CB-CB 4.46Å; D157-V237 HydrophobicContact CB-CG1 4.03Å; D157-V237 HydrophobicContact CB-CG2 3.76Å; A233-V237 PolarHBondContact O-N 3.47Å; A234-V237 PolarHBondContact O-N 3.2Å; V237-G239 VanDerWaalsContact C-N 3.29Å; V237-G239 PolarHBondContact O-N 2.69Å; V237-Q240 PolarHBondContact O-N 2.88Å |
| 238 | K | 95.3 | Very high | 91 | Very high | 127 Ų | 127 | 53.1 Ų | 53.1 | 55% | 0.552 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -59.1 | -39.8 | 178.9 | 179 | 169.6 | -178.4 | 169.8 | 0 | 112.4 | A234 Q240 | A234-K238 WeakPolarHBondContact O-CB 3.39Å; A234-K238 PolarHBondContact O-N 3.18Å; K238-Q240 PolarHBondContact O-N 2.86Å |
| 239 | G | 95.4 | Very high | 88.7 | Confident | 16 Ų | 16 | 63.6 Ų | 63.6 | 17% | 0.165 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | 11.7 | 177 | 0 | 0 | 0 | 0 | 0 | 114.2 | N200 G201 S235 V237 G241 | N200-G239 WeakPolarHBondContact CB-O 3.5Å; G201-G239 WeakPolarHBondContact CA-O 3.31Å; G201-G239 PolarHBondContact N-O 2.75Å; S235-G239 WeakPolarHBondContact O-CA 3.45Å; S235-G239 PolarHBondContact O-N 3.08Å; V237-G239 VanDerWaalsContact C-N 3.29Å; V237-G239 PolarHBondContact O-N 2.69Å; G239-G241 VanDerWaalsContact C-N 3.26Å; G239-G241 PolarHBondContact O-N 3.46Å |
| 240 | Q | 96.4 | Very high | 86.7 | Confident | 148 Ų | 148 | 66 Ų | 66 | 69% | 0.692 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 42 | -179.5 | -58.9 | -177.9 | -16 | 0 | 0 | 113.2 | N200 L236 V237 K238 | N200-Q240 WeakPolarHBondContact CB-O 3.32Å; L236-Q240 PolarHBondContact O-N 3.1Å; V237-Q240 PolarHBondContact O-N 2.88Å; K238-Q240 PolarHBondContact O-N 2.86Å |
| 241 | G | 96.6 | Very high | 84.7 | Confident | 2 Ų | 2 | 70.4 Ų | 70.4 | 2% | 0.021 | 36% | 0.362 | C | S | . | . | trans | -60.8 | 139.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L162 E199 L236 G239 | L162-G241 WeakPolarHBondContact CB-O 3.24Å; E199-G241 CarbonylContact O-C 3.53Å; E199-G241 WeakPolarHBondContact O-CA 3.49Å; L236-G241 WeakPolarHBondContact O-CA 3.22Å; L236-G241 PolarHBondContact O-N 3.44Å; G239-G241 VanDerWaalsContact C-N 3.26Å; G239-G241 PolarHBondContact O-N 3.46Å | ||
| 242 | R | 96.1 | Very high | 83.4 | Confident | 96 Ų | 96 | 71.6 Ų | 71.6 | 36% | 0.362 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 153.2 | -179.5 | -59.1 | -58.8 | -63.1 | -96.2 | 11.5 | 111 | D165 L198 E199 | D165-R242 VanDerWaalsContact CG-NE 3.29Å; D165-R242 IonicContact OD1-CZ 3.75Å; D165-R242 VanDerWaalsContact OD1-CZ 3.29Å; D165-R242 IonicContact OD1-NE 2.87Å; D165-R242 PolarHBondContact OD1-NE 2.87Å; D165-R242 IonicContact OD1-NH2 3.8Å; D165-R242 PolarHBondContact OD1-NH2 3.4Å; D165-R242 VanDerWaalsContact OD2-CA 3.28Å; D165-R242 WeakPolarHBondContact OD2-CA 3.27Å; D165-R242 WeakPolarHBondContact OD2-CB 3.48Å; D165-R242 IonicContact OD2-CZ 2.66Å; D165-R242 IonicContact OD2-NE 2.69Å; D165-R242 PolarHBondContact OD2-NE 3.34Å; D165-R242 IonicContact OD2-NH2 3.2Å; L198-R242 CarbonylContact C-O 3.56Å; L198-R242 VanDerWaalsContact CA-O 3.3Å; L198-R242 WeakPolarHBondContact CA-O 3.43Å; E199-R242 PolarHBondContact N-O 3.31Å; E199-R242 PolarHBondContact O-N 3.05Å |
| 243 | I | 94.8 | Very high | 82.4 | Confident | 13 Ų | 13 | 75.2 Ų | 75.2 | 7% | 0.067 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 128 | 169.7 | -63.8 | 179.2 | 0 | 0 | 0 | 109.3 | L162 D165 M166 T169 T171 P196 L198 R245 | L162-I243 HydrophobicContact CD1-CG1 4.11Å; D165-I243 HydrophobicContact CB-CB 4.04Å; D165-I243 HydrophobicContact CB-CD1 4.03Å; D165-I243 HydrophobicContact CB-CG1 3.94Å; D165-I243 PolarHBondContact OD2-N 2.7Å; M166-I243 HydrophobicContact CB-CD1 4.45Å; M166-I243 HydrophobicContact CG-CD1 3.79Å; T169-I243 HydrophobicContact CG2-CG2 4.13Å; T169-I243 VanDerWaalsContact OG1-CD1 3.31Å; T169-I243 WeakPolarHBondContact OG1-CD1 3.41Å; T171-I243 HydrophobicContact CG2-CD1 4.3Å; P196-I243 HydrophobicContact CB-CD1 4.41Å; P196-I243 HydrophobicContact CB-CG1 4.35Å; P196-I243 HydrophobicContact CB-CG2 4.05Å; P196-I243 HydrophobicContact CG-CD1 3.92Å; P196-I243 HydrophobicContact CG-CG1 3.9Å; L198-I243 HydrophobicContact CD2-CG1 3.93Å; I243-R245 PolarHBondContact O-N 2.89Å; I243-R245 PolarHBondContact O-NH1 3.25Å |
| 244 | C | 89.9 | Confident | 81.9 | Confident | 24 Ų | 24 | 75.8 Ų | 75.8 | 16% | 0.162 | 40% | 0.397 | C | S | . | . | trans | -68.7 | 94.7 | 179.3 | -172.7 | 0 | 0 | 0 | 0 | 111.3 | R197 E199 K246 | R197-C244 HydrophobicContact CB-CB 4.13Å; R197-C244 HydrophobicContact CG-CB 3.85Å; R197-C244 VanDerWaalsContact O-CB 3.24Å; R197-C244 WeakPolarHBondContact O-CB 3.47Å; R197-C244 PolarHBondContact O-N 3.31Å; E199-C244 HydrophobicContact CG-CB 4.07Å; E199-C244 PolarHBondContact OE1-SG 2.91Å; C244-K246 PolarHBondContact O-N 3.34Å | ||
| 245 | R | 82 | Confident | 81.7 | Confident | 108 Ų | 108 | 74.7 Ų | 74.7 | 41% | 0.408 | 39% | 0.386 | S | S | . | . | trans | -76.2 | -0.3 | 176.6 | -65.2 | 176.1 | -176.8 | 72.9 | -18.9 | 114.3 | D165 E168 T169 I243 S247 | D165-R245 VanDerWaalsContact CG-NH2 3.34Å; D165-R245 IonicContact OD1-CZ 2.7Å; D165-R245 VanDerWaalsContact OD1-CZ 3.26Å; D165-R245 IonicContact OD1-NH1 3.15Å; D165-R245 PolarHBondContact OD1-NH1 2.91Å; D165-R245 IonicContact OD1-NH2 2.73Å; D165-R245 PolarHBondContact OD1-NH2 2.82Å; D165-R245 IonicContact OD2-CZ 2.71Å; D165-R245 IonicContact OD2-NH1 3.13Å; D165-R245 PolarHBondContact OD2-NH1 2.85Å; D165-R245 IonicContact OD2-NH2 2.74Å; E168-R245 IonicContact OE1-NH2 2.74Å; E168-R245 PolarHBondContact OE1-NH2 2.98Å; E168-R245 IonicContact OE2-CZ 2.71Å; E168-R245 IonicContact OE2-NE 3.95Å; E168-R245 PolarHBondContact OE2-NE 3.01Å; E168-R245 VanDerWaalsContact OE2-NE 3.11Å; E168-R245 IonicContact OE2-NH2 2.79Å; E168-R245 PolarHBondContact OE2-NH2 2.86Å; T169-R245 HydrophobicContact CG2-CG 4.45Å; I243-R245 PolarHBondContact O-N 2.89Å; I243-R245 PolarHBondContact O-NH1 3.25Å; R245-S247 PolarHBondContact O-N 3.08Å | ||
| 246 | K | 70.9 | Confident | 81.6 | Confident | 127 Ų | 127 | 78.4 Ų | 78.4 | 55% | 0.552 | 40% | 0.398 | S | S | * | . | trans | -73 | 111.3 | -169.3 | -67.3 | 169 | -169.8 | 147.8 | 0 | 111.4 | E199 C244 G248 | E199-K246 IonicContact OE1-NZ 2.92Å; E199-K246 PolarHBondContact OE1-NZ 2.96Å; E199-K246 IonicContact OE2-NZ 3.1Å; E199-K246 PolarHBondContact OE2-NZ 2.96Å; C244-K246 PolarHBondContact O-N 3.34Å; K246-G248 PolarHBondContact O-N 3.25Å | ||
| 247 | S | 53 | Low | 81.5 | Confident | 107 Ų | 107 | 87.1 Ų | 87.1 | 75% | 0.748 | 44% | 0.436 | S | S | * | . | trans | -71.5 | 5.4 | -175.9 | 58.2 | 0 | 0 | 0 | 0 | 115.8 | R245 K251 | R245-S247 PolarHBondContact O-N 3.08Å; S247-K251 WeakPolarHBondContact O-CE 3.37Å | ||
| 248 | G | 63.3 | Low | 81.5 | Confident | 43 Ų | 43 | 87.1 Ų | 87.1 | 44% | 0.443 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -146.5 | 155.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115 | K246 S250 | K246-G248 PolarHBondContact O-N 3.25Å; G248-S250 PolarHBondContact O-N 2.95Å |
| 249 | K | 50.1 | Low | 81.6 | Confident | 225 Ų | 225 | 81.1 Ų | 81.1 | 98% | 0.978 | 41% | 0.407 | S | S | * | . | S | Bend | trans | 55.7 | -44.1 | -179 | -68.3 | -173 | 177.4 | -179.5 | 0 | 117.6 | K251 | K249-K251 VanDerWaalsContact C-N 3.32Å; K249-K251 PolarHBondContact O-N 3.41Å |
| 250 | S | 55.1 | Low | 81.7 | Confident | 51 Ų | 51 | 82.9 Ų | 82.9 | 36% | 0.357 | 41% | 0.411 | S | S | . | . | trans | -92.1 | 32.4 | 179.6 | -149.7 | 0 | 0 | 0 | 0 | 114.3 | R197 G248 K252 | R197-S250 PolarHBondContact NE-O 3.11Å; G248-S250 PolarHBondContact O-N 2.95Å; S250-K252 PolarHBondContact O-N 3.09Å | ||
| 251 | K | 57.2 | Low | 81.7 | Confident | 171 Ų | 171 | 78.6 Ų | 78.6 | 74% | 0.743 | 40% | 0.401 | S | S | * | . | trans | -72.4 | -3 | 175.9 | -69.6 | -165.2 | -179.8 | -174.7 | 0 | 114.1 | S247 K249 A253 | S247-K251 WeakPolarHBondContact O-CE 3.37Å; K249-K251 VanDerWaalsContact C-N 3.32Å; K249-K251 PolarHBondContact O-N 3.41Å; K251-A253 PolarHBondContact O-N 3.47Å | ||
| 252 | K | 70 | Confident | 81.7 | Confident | 126 Ų | 126 | 80 Ų | 80 | 55% | 0.548 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 116.3 | 179.6 | -167.2 | -168.6 | 178.2 | -157.8 | 0 | 109.6 | R197 S250 E258 | R197-K252 PolarHBondContact NE-O 3.42Å; R197-K252 PolarHBondContact NH2-O 3.36Å; S250-K252 PolarHBondContact O-N 3.09Å; K252-E258 IonicContact NZ-OE2 2.97Å; K252-E258 PolarHBondContact NZ-OE2 3.18Å |
| 253 | A | 76.5 | Confident | 81.8 | Confident | 77 Ų | 77 | 77.1 Ų | 77.1 | 64% | 0.636 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 149.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | K251 S255 | K251-A253 PolarHBondContact O-N 3.47Å; A253-S255 PolarHBondContact O-N 3.24Å |
| 254 | F | 88.6 | Confident | 81.8 | Confident | 16 Ų | 16 | 82 Ų | 82 | 7% | 0.07 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 122.9 | 176.7 | -77.8 | -33.5 | 0 | 0 | 0 | 110.8 | V193 R197 V203 G206 | V193-F254 HydrophobicContact CB-CD2 4Å; V193-F254 HydrophobicContact CB-CE2 3.91Å; V193-F254 HydrophobicContact CG1-CD2 3.95Å; V193-F254 HydrophobicContact CG1-CE2 3.77Å; R197-F254 HydrophobicContact CB-CE2 4.41Å; R197-F254 HydrophobicContact CB-CZ 4.35Å; R197-F254 HydrophobicContact CG-CE1 4.13Å; R197-F254 HydrophobicContact CG-CE2 4.42Å; R197-F254 HydrophobicContact CG-CZ 3.88Å; V203-F254 HydrophobicContact CG1-CE2 4.27Å; V203-F254 HydrophobicContact CG1-CZ 3.98Å; G206-F254 CarbonylContact O-C 3.56Å; G206-F254 VanDerWaalsContact O-CB 3.26Å; G206-F254 WeakPolarHBondContact O-CB 3.42Å |
| 255 | S | 92.9 | Very high | 82.1 | Confident | 37 Ų | 37 | 84.4 Ų | 84.4 | 26% | 0.259 | 44% | 0.437 | S | S | . | . | trans | -115.8 | 135 | -171.1 | 78.8 | 0 | 0 | 0 | 0 | 112.1 | G206 A253 K257 E258 A259 | G206-S255 PolarHBondContact O-N 3.45Å; A253-S255 PolarHBondContact O-N 3.24Å; S255-K257 VanDerWaalsContact C-N 3.33Å; S255-K257 PolarHBondContact O-N 3.41Å; S255-E258 WeakPolarHBondContact O-CB 3.48Å; S255-E258 PolarHBondContact O-N 2.83Å; S255-E258 WeakPolarHBondContact OG-CB 3.18Å; S255-E258 PolarHBondContact OG-OE2 3.36Å; S255-A259 PolarHBondContact O-N 2.81Å | ||
| 256 | R | 94.9 | Very high | 82.7 | Confident | 94 Ų | 94 | 79.8 Ų | 79.8 | 36% | 0.355 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -54.5 | -45.3 | -175.2 | -177.8 | 175 | 176.2 | 145.4 | 2.4 | 112.9 | D148 T179 E258 A259 E260 | D148-R256 IonicContact OD2-NH1 2.66Å; D148-R256 PolarHBondContact OD2-NH1 2.71Å; D148-R256 VanDerWaalsContact OD2-NH1 3.13Å; T179-R256 PolarHBondContact OG1-NH1 3.24Å; R256-E258 VanDerWaalsContact C-N 3.26Å; R256-E258 PolarHBondContact O-N 3.36Å; R256-A259 PolarHBondContact O-N 3.15Å; R256-E260 HydrophobicContact CG-CG 4.4Å; R256-E260 WeakPolarHBondContact CG-OE1 3.42Å; R256-E260 IonicContact CZ-OE1 3.19Å; R256-E260 IonicContact NE-OE1 2.79Å; R256-E260 PolarHBondContact NE-OE1 2.96Å; R256-E260 IonicContact NH2-OE1 2.72Å; R256-E260 WeakPolarHBondContact O-CB 3.41Å; R256-E260 WeakPolarHBondContact O-CG 3.37Å; R256-E260 PolarHBondContact O-N 2.99Å |
| 257 | K | 96.5 | Very high | 83.7 | Confident | 183 Ų | 183 | 75.4 Ų | 75.4 | 80% | 0.796 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -59 | -36.2 | 178.2 | -178.3 | 175.9 | 178.9 | 177.4 | 0 | 112.9 | S255 A261 | S255-K257 VanDerWaalsContact C-N 3.33Å; S255-K257 PolarHBondContact O-N 3.41Å; K257-A261 WeakPolarHBondContact O-CB 3.24Å; K257-A261 PolarHBondContact O-N 2.9Å |
| 258 | E | 96.1 | Very high | 85.7 | Confident | 39 Ų | 39 | 77.2 Ų | 77.2 | 18% | 0.182 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -76 | -47.7 | 179 | -169.3 | -177.9 | 140.4 | 0 | 0 | 110 | G206 K252 S255 R256 E260 A261 T262 | G206-E258 VanDerWaalsContact CA-CG 3.49Å; G206-E258 WeakPolarHBondContact CA-OE1 3.48Å; G206-E258 PolarHBondContact N-OE1 2.89Å; K252-E258 IonicContact NZ-OE2 2.97Å; K252-E258 PolarHBondContact NZ-OE2 3.18Å; S255-E258 WeakPolarHBondContact O-CB 3.48Å; S255-E258 PolarHBondContact O-N 2.83Å; S255-E258 WeakPolarHBondContact OG-CB 3.18Å; S255-E258 PolarHBondContact OG-OE2 3.36Å; R256-E258 VanDerWaalsContact C-N 3.26Å; R256-E258 PolarHBondContact O-N 3.36Å; E258-E260 VanDerWaalsContact C-N 3.32Å; E258-E260 PolarHBondContact O-N 3.35Å; E258-A261 PolarHBondContact O-N 3.33Å; E258-A261 VanDerWaalsContact O-N 3.08Å; E258-T262 PolarHBondContact O-N 2.82Å; E258-T262 PolarHBondContact O-OG1 3.36Å |
| 259 | A | 97.2 | Very high | 87 | Confident | 0 Ų | 0 | 78.2 Ų | 78.2 | 0% | 0 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -57.2 | -44.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F190 R192 G206 A208 S255 R256 A261 T262 F263 | F190-A259 HydrophobicContact CZ-CB 3.91Å; R192-A259 HydrophobicContact CB-CB 4.25Å; G206-A259 WeakPolarHBondContact O-CB 3.5Å; A208-A259 HydrophobicContact CB-CB 4.21Å; A208-A259 WeakPolarHBondContact CB-O 3.37Å; S255-A259 PolarHBondContact O-N 2.81Å; R256-A259 PolarHBondContact O-N 3.15Å; A259-A261 VanDerWaalsContact C-N 3.33Å; A259-A261 PolarHBondContact O-N 3.32Å; A259-T262 PolarHBondContact O-N 2.97Å; A259-F263 VanDerWaalsContact O-CB 3.27Å; A259-F263 WeakPolarHBondContact O-CB 3.38Å; A259-F263 PolarHBondContact O-N 3.39Å |
| 260 | E | 97.3 | Very high | 88.9 | Confident | 53 Ų | 53 | 69.5 Ų | 69.5 | 25% | 0.248 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.6 | -36.9 | 176.9 | -77.1 | -175.1 | -150.9 | 0 | 0 | 112.5 | F190 R256 E258 K264 | F190-E260 HydrophobicContact CD1-CG 4.41Å; F190-E260 HydrophobicContact CE1-CG 3.63Å; F190-E260 HydrophobicContact CE2-CG 4.29Å; F190-E260 HydrophobicContact CZ-CB 4.31Å; F190-E260 HydrophobicContact CZ-CG 3.57Å; R256-E260 HydrophobicContact CG-CG 4.4Å; R256-E260 WeakPolarHBondContact CG-OE1 3.42Å; R256-E260 IonicContact CZ-OE1 3.19Å; R256-E260 IonicContact NE-OE1 2.79Å; R256-E260 PolarHBondContact NE-OE1 2.96Å; R256-E260 IonicContact NH2-OE1 2.72Å; R256-E260 WeakPolarHBondContact O-CB 3.41Å; R256-E260 WeakPolarHBondContact O-CG 3.37Å; R256-E260 PolarHBondContact O-N 2.99Å; E258-E260 VanDerWaalsContact C-N 3.32Å; E258-E260 PolarHBondContact O-N 3.35Å; E260-K264 WeakPolarHBondContact O-CB 3.42Å; E260-K264 WeakPolarHBondContact O-CD 3.35Å; E260-K264 WeakPolarHBondContact O-CG 3.41Å; E260-K264 PolarHBondContact O-N 3.01Å; E260-K264 IonicContact OE2-NZ 3.16Å; E260-K264 PolarHBondContact OE2-NZ 3.49Å |
| 261 | A | 97.4 | Very high | 90.5 | Very high | 58 Ų | 58 | 73.3 Ų | 73.3 | 48% | 0.479 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -69.5 | -46.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | K257 E258 A259 F263 K264 S265 | K257-A261 WeakPolarHBondContact O-CB 3.24Å; K257-A261 PolarHBondContact O-N 2.9Å; E258-A261 PolarHBondContact O-N 3.33Å; E258-A261 VanDerWaalsContact O-N 3.08Å; A259-A261 VanDerWaalsContact C-N 3.33Å; A259-A261 PolarHBondContact O-N 3.32Å; A261-F263 PolarHBondContact O-N 3.17Å; A261-K264 PolarHBondContact O-N 3.48Å; A261-S265 PolarHBondContact O-N 2.89Å |
| 262 | T | 96.9 | Very high | 92 | Very high | 32 Ų | 32 | 72.4 Ų | 72.4 | 20% | 0.196 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -57.2 | -48.7 | 174.6 | -54.1 | 0 | 0 | 0 | 0 | 111 | L204 D205 A208 E258 A259 K264 S265 L266 | L204-T262 HydrophobicContact CB-CG2 3.6Å; L204-T262 HydrophobicContact CD1-CG2 3.91Å; L204-T262 HydrophobicContact CG-CG2 4.44Å; D205-T262 WeakPolarHBondContact O-CB 3.47Å; D205-T262 PolarHBondContact O-OG1 3.03Å; A208-T262 HydrophobicContact CB-CG2 3.85Å; E258-T262 PolarHBondContact O-N 2.82Å; E258-T262 PolarHBondContact O-OG1 3.36Å; A259-T262 PolarHBondContact O-N 2.97Å; T262-K264 PolarHBondContact O-N 3.29Å; T262-S265 WeakPolarHBondContact O-CB 3.09Å; T262-S265 PolarHBondContact O-N 2.97Å; T262-L266 WeakPolarHBondContact O-CB 3.32Å; T262-L266 PolarHBondContact O-N 2.94Å |
| 263 | F | 96.6 | Very high | 92.9 | Very high | 36 Ų | 36 | 74 Ų | 74 | 16% | 0.158 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 177.8 | -177.2 | -99.9 | 0 | 0 | 0 | 112.7 | F190 A208 L214 T215 A259 A261 S265 L266 V267 | F190-F263 HydrophobicContact CD2-CD1 4.26Å; F190-F263 HydrophobicContact CD2-CG 4.37Å; F190-F263 HydrophobicContact CE2-CB 3.98Å; F190-F263 HydrophobicContact CE2-CD1 4.26Å; F190-F263 HydrophobicContact CE2-CG 4.06Å; A208-F263 HydrophobicContact CB-CB 4.49Å; L214-F263 WeakPolarHBondContact O-CZ 3.38Å; T215-F263 HydrophobicContact CG2-CE2 4.19Å; T215-F263 HydrophobicContact CG2-CZ 4.38Å; A259-F263 VanDerWaalsContact O-CB 3.27Å; A259-F263 WeakPolarHBondContact O-CB 3.38Å; A259-F263 PolarHBondContact O-N 3.39Å; A261-F263 PolarHBondContact O-N 3.17Å; F263-S265 VanDerWaalsContact C-N 3.27Å; F263-S265 PolarHBondContact O-N 2.89Å; F263-L266 PolarHBondContact O-N 3.3Å; F263-V267 HydrophobicContact CD1-CG2 4.21Å; F263-V267 HydrophobicContact CD2-CG2 4.47Å; F263-V267 HydrophobicContact CE1-CG2 3.82Å; F263-V267 HydrophobicContact CE2-CG2 4.11Å; F263-V267 HydrophobicContact CZ-CG2 3.76Å; F263-V267 WeakPolarHBondContact O-CG2 3.18Å; F263-V267 PolarHBondContact O-N 3.5Å |
| 264 | K | 95.8 | Very high | 93.3 | Very high | 115 Ų | 115 | 71.6 Ų | 71.6 | 50% | 0.5 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.4 | -30.3 | 175.1 | -73.1 | 160.8 | -165.2 | 162.1 | 0 | 112.5 | E260 A261 T262 K268 | E260-K264 WeakPolarHBondContact O-CB 3.42Å; E260-K264 WeakPolarHBondContact O-CD 3.35Å; E260-K264 WeakPolarHBondContact O-CG 3.41Å; E260-K264 PolarHBondContact O-N 3.01Å; E260-K264 IonicContact OE2-NZ 3.16Å; E260-K264 PolarHBondContact OE2-NZ 3.49Å; A261-K264 PolarHBondContact O-N 3.48Å; T262-K264 PolarHBondContact O-N 3.29Å; K264-K268 WeakPolarHBondContact O-CG 3.1Å |
| 265 | S | 95.9 | Very high | 93 | Very high | 74 Ų | 74 | 73.8 Ų | 73.8 | 52% | 0.517 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -76.2 | -43.2 | 173.8 | -165.3 | 0 | 0 | 0 | 0 | 112.1 | A261 T262 F263 K268 T269 | A261-S265 PolarHBondContact O-N 2.89Å; T262-S265 WeakPolarHBondContact O-CB 3.09Å; T262-S265 PolarHBondContact O-N 2.97Å; F263-S265 VanDerWaalsContact C-N 3.27Å; F263-S265 PolarHBondContact O-N 2.89Å; S265-K268 PolarHBondContact O-N 2.95Å; S265-T269 PolarHBondContact O-N 3.42Å; S265-T269 PolarHBondContact O-OG1 3.4Å |
| 266 | L | 94.3 | Very high | 92.1 | Very high | 11 Ų | 11 | 77.8 Ų | 77.8 | 6% | 0.058 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -57.8 | -50.8 | 177.1 | 173.4 | 160.3 | 0 | 0 | 0 | 112.2 | L204 C210 T215 T262 F263 K268 T269 H270 W275 | L204-L266 HydrophobicContact CD1-CD1 3.75Å; C210-L266 HydrophobicContact CB-CD1 3.65Å; T215-L266 HydrophobicContact CG2-CD2 4.03Å; T262-L266 WeakPolarHBondContact O-CB 3.32Å; T262-L266 PolarHBondContact O-N 2.94Å; F263-L266 PolarHBondContact O-N 3.3Å; L266-K268 VanDerWaalsContact C-N 3.33Å; L266-K268 PolarHBondContact O-N 2.97Å; L266-T269 WeakPolarHBondContact O-CB 3.18Å; L266-T269 PolarHBondContact O-N 3.39Å; L266-T269 VanDerWaalsContact O-N 3.1Å; L266-H270 PolarHBondContact O-CD2 3.3Å; L266-H270 PolarHBondContact O-N 2.97Å; L266-W275 HydrophobicContact CD2-CH2 3.96Å; L266-W275 HydrophobicContact CD2-CZ2 4.16Å |
| 267 | V | 93 | Very high | 90.5 | Very high | 35 Ų | 35 | 78.5 Ų | 78.5 | 21% | 0.212 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -60.5 | -44.5 | -178 | 174.3 | 0 | 0 | 0 | 0 | 110.5 | T215 F263 T269 H270 E271 | T215-V267 HydrophobicContact CG2-CG2 3.88Å; F263-V267 HydrophobicContact CD1-CG2 4.21Å; F263-V267 HydrophobicContact CD2-CG2 4.47Å; F263-V267 HydrophobicContact CE1-CG2 3.82Å; F263-V267 HydrophobicContact CE2-CG2 4.11Å; F263-V267 HydrophobicContact CZ-CG2 3.76Å; F263-V267 WeakPolarHBondContact O-CG2 3.18Å; F263-V267 PolarHBondContact O-N 3.5Å; V267-T269 VanDerWaalsContact C-N 3.31Å; V267-T269 PolarHBondContact O-N 2.83Å; V267-H270 PolarHBondContact O-N 3.3Å; V267-E271 WeakPolarHBondContact O-CB 3.46Å; V267-E271 PolarHBondContact O-N 3.02Å |
| 268 | K | 93.4 | Very high | 88.5 | Confident | 146 Ų | 146 | 72.6 Ų | 72.6 | 64% | 0.635 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -61.6 | -37.9 | 175.7 | -69.1 | 176.9 | 179.3 | -173.1 | 0 | 112.8 | K264 S265 L266 K272 | K264-K268 WeakPolarHBondContact O-CG 3.1Å; S265-K268 PolarHBondContact O-N 2.95Å; L266-K268 VanDerWaalsContact C-N 3.33Å; L266-K268 PolarHBondContact O-N 2.97Å; K268-K272 WeakPolarHBondContact O-CB 3.46Å; K268-K272 PolarHBondContact O-N 3.16Å; K268-K272 VanDerWaalsContact O-N 3.08Å |
| 269 | T | 91.4 | Very high | 86.5 | Confident | 63 Ų | 63 | 74.6 Ų | 74.6 | 39% | 0.387 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.1 | -49.9 | 179.2 | -57.5 | 0 | 0 | 0 | 0 | 110.7 | S265 L266 V267 E271 K272 Y273 | S265-T269 PolarHBondContact O-N 3.42Å; S265-T269 PolarHBondContact O-OG1 3.4Å; L266-T269 WeakPolarHBondContact O-CB 3.18Å; L266-T269 PolarHBondContact O-N 3.39Å; L266-T269 VanDerWaalsContact O-N 3.1Å; V267-T269 VanDerWaalsContact C-N 3.31Å; V267-T269 PolarHBondContact O-N 2.83Å; T269-E271 VanDerWaalsContact C-N 3.35Å; T269-E271 PolarHBondContact O-N 3.3Å; T269-K272 PolarHBondContact O-N 3.42Å; T269-Y273 HydrophobicContact CG2-CD2 3.97Å; T269-Y273 VanDerWaalsContact O-CD2 3.3Å; T269-Y273 WeakPolarHBondContact O-CD2 3.3Å; T269-Y273 PolarHBondContact O-N 2.82Å |
| 270 | H | 89.4 | Confident | 84.5 | Confident | 43 Ų | 43 | 83 Ų | 83 | 20% | 0.199 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -75.4 | -20.4 | 178 | -69.5 | -66.3 | 0 | 0 | 0 | 114.2 | L266 V267 G274 W275 | L266-H270 PolarHBondContact O-CD2 3.3Å; L266-H270 PolarHBondContact O-N 2.97Å; V267-H270 PolarHBondContact O-N 3.3Å; H270-G274 PolarHBondContact ND1-O 3.1Å; H270-G274 CarbonylContact O-C 3.45Å; H270-G274 WeakPolarHBondContact O-CA 3.36Å; H270-G274 PolarHBondContact O-N 2.86Å; H270-W275 HydrophobicContact CB-CD2 3.92Å; H270-W275 VanDerWaalsContact CB-CE2 3.47Å; H270-W275 HydrophobicContact CB-CG 4.3Å; H270-W275 HydrophobicContact CB-CH2 4.39Å; H270-W275 HydrophobicContact CB-CZ2 3.72Å; H270-W275 AromaticContact CD2-CH2 3.38Å; H270-W275 WeakPolarHBondContact CD2-CH2 3.49Å; H270-W275 AromaticContact CD2-CZ2 3.59Å; H270-W275 AromaticContact CD2-CZ3 3.63Å; H270-W275 AromaticContact CE1-CE3 3.72Å; H270-W275 AromaticContact CE1-CZ3 3.74Å; H270-W275 AromaticContact CG-CD2 3.68Å; H270-W275 AromaticContact CG-CE2 3.58Å; H270-W275 AromaticContact CG-CE3 3.83Å; H270-W275 AromaticContact CG-CH2 3.79Å; H270-W275 AromaticContact CG-CZ2 3.63Å; H270-W275 AromaticContact CG-CZ3 3.9Å; H270-W275 AromaticContact ND1-CD2 3.7Å; H270-W275 AromaticContact ND1-CE3 3.63Å; H270-W275 AromaticContact ND1-CZ3 3.97Å; H270-W275 AromaticContact NE2-CE3 4Å; H270-W275 AromaticContact NE2-CH2 3.76Å; H270-W275 AromaticContact NE2-CZ3 3.55Å |
| 271 | E | 89.1 | Confident | 82.5 | Confident | 130 Ų | 130 | 85 Ų | 85 | 61% | 0.607 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -68.5 | -41.2 | 168.2 | -178.1 | 168.8 | -138.4 | 0 | 0 | 111.5 | V267 T269 | V267-E271 WeakPolarHBondContact O-CB 3.46Å; V267-E271 PolarHBondContact O-N 3.02Å; T269-E271 VanDerWaalsContact C-N 3.35Å; T269-E271 PolarHBondContact O-N 3.3Å |
| 272 | K | 89.1 | Confident | 80.3 | Confident | 152 Ų | 152 | 87 Ų | 87 | 66% | 0.661 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -77.8 | -40.1 | 179.7 | -175.8 | 179.1 | 176.3 | -165.6 | 0 | 114 | K268 T269 | K268-K272 WeakPolarHBondContact O-CB 3.46Å; K268-K272 PolarHBondContact O-N 3.16Å; K268-K272 VanDerWaalsContact O-N 3.08Å; T269-K272 PolarHBondContact O-N 3.42Å |
| 273 | Y | 88.1 | Confident | 77.6 | Confident | 159 Ų | 159 | 92 Ų | 92 | 62% | 0.624 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -111.9 | -4.7 | -171.8 | -59.3 | -70.5 | 0 | 0 | 0 | 114.2 | T269 | T269-Y273 HydrophobicContact CG2-CD2 3.97Å; T269-Y273 VanDerWaalsContact O-CD2 3.3Å; T269-Y273 WeakPolarHBondContact O-CD2 3.3Å; T269-Y273 PolarHBondContact O-N 2.82Å |
| 274 | G | 84.8 | Confident | 76.7 | Confident | 28 Ų | 28 | 94.9 Ų | 94.9 | 29% | 0.289 | 54% | 0.543 | S | S | . | . | trans | 82.7 | 179 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | H270 | H270-G274 PolarHBondContact ND1-O 3.1Å; H270-G274 CarbonylContact O-C 3.45Å; H270-G274 WeakPolarHBondContact O-CA 3.36Å; H270-G274 PolarHBondContact O-N 2.86Å | ||
| 275 | W | 82.1 | Confident | 75.6 | Confident | 61 Ų | 61 | 93.8 Ų | 93.8 | 23% | 0.231 | 55% | 0.545 | C | S | . | . | P | Polyproline II helix | trans | -101.9 | 116.4 | 168.4 | -70.8 | 100.2 | 0 | 0 | 0 | 109.1 | E212 T215 L266 H270 | E212-W275 HydrophobicContact CB-CD2 3.67Å; E212-W275 HydrophobicContact CB-CE3 4.03Å; E212-W275 HydrophobicContact CB-CG 4Å; E212-W275 HydrophobicContact CB-CH2 4.42Å; E212-W275 HydrophobicContact CB-CZ2 4.09Å; E212-W275 HydrophobicContact CB-CZ3 4.38Å; E212-W275 HydrophobicContact CG-CD2 4.08Å; E212-W275 HydrophobicContact CG-CG 3.94Å; T215-W275 HydrophobicContact CG2-CH2 4.4Å; T215-W275 HydrophobicContact CG2-CZ2 3.71Å; L266-W275 HydrophobicContact CD2-CH2 3.96Å; L266-W275 HydrophobicContact CD2-CZ2 4.16Å; H270-W275 HydrophobicContact CB-CD2 3.92Å; H270-W275 VanDerWaalsContact CB-CE2 3.47Å; H270-W275 HydrophobicContact CB-CG 4.3Å; H270-W275 HydrophobicContact CB-CH2 4.39Å; H270-W275 HydrophobicContact CB-CZ2 3.72Å; H270-W275 AromaticContact CD2-CH2 3.38Å; H270-W275 WeakPolarHBondContact CD2-CH2 3.49Å; H270-W275 AromaticContact CD2-CZ2 3.59Å; H270-W275 AromaticContact CD2-CZ3 3.63Å; H270-W275 AromaticContact CE1-CE3 3.72Å; H270-W275 AromaticContact CE1-CZ3 3.74Å; H270-W275 AromaticContact CG-CD2 3.68Å; H270-W275 AromaticContact CG-CE2 3.58Å; H270-W275 AromaticContact CG-CE3 3.83Å; H270-W275 AromaticContact CG-CH2 3.79Å; H270-W275 AromaticContact CG-CZ2 3.63Å; H270-W275 AromaticContact CG-CZ3 3.9Å; H270-W275 AromaticContact ND1-CD2 3.7Å; H270-W275 AromaticContact ND1-CE3 3.63Å; H270-W275 AromaticContact ND1-CZ3 3.97Å; H270-W275 AromaticContact NE2-CE3 4Å; H270-W275 AromaticContact NE2-CH2 3.76Å; H270-W275 AromaticContact NE2-CZ3 3.55Å |
| 276 | V | 75.7 | Confident | 74.5 | Confident | 122 Ų | 122 | 94.9 Ų | 94.9 | 74% | 0.739 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -92.6 | 124.6 | 176.7 | -178 | 0 | 0 | 0 | 0 | 108.3 | ||
| 277 | S | 60.5 | Low | 73.4 | Confident | 108 Ų | 108 | 99.8 Ų | 99.8 | 76% | 0.755 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 128.2 | 165.5 | -65.9 | 0 | 0 | 0 | 0 | 108.8 | ||
| 278 | P | 55.3 | Low | 72.1 | Confident | 59 Ų | 59 | 103.9 Ų | 103.9 | 38% | 0.383 | 60% | 0.598 | S | S | . | * | P | Polyproline II helix | trans | -56.1 | 152.6 | 172.2 | -25.6 | 34.9 | 0 | 0 | 0 | 111.8 | ||
| 279 | P | 52.8 | Low | 70.7 | Confident | 81 Ų | 81 | 101.1 Ų | 101.1 | 53% | 0.526 | 60% | 0.595 | S | S | . | * | P | Polyproline II helix | trans | -52.2 | 152.9 | 171.9 | -27.1 | 36.8 | 0 | 0 | 0 | 113 | S281 D282 | P279-S281 WeakPolarHBondContact CB-OG 3.39Å; P279-S281 PolarHBondContact O-N 3.43Å; P279-D282 PolarHBondContact O-N 3.2Å |
| 280 | I | 55.3 | Low | 69.2 | Low | 177 Ų | 177 | 103.8 Ų | 103.8 | 91% | 0.908 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -14.6 | -179 | -58.8 | 173.4 | 0 | 0 | 0 | 111.6 | D282 | I280-D282 VanDerWaalsContact C-N 3.25Å; I280-D282 PolarHBondContact O-N 2.9Å |
| 281 | S | 56.3 | Low | 67.7 | Low | 96 Ų | 96 | 108.5 Ų | 108.5 | 67% | 0.671 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -15.2 | 176.5 | 48.7 | 0 | 0 | 0 | 0 | 115.3 | P279 G283 | P279-S281 WeakPolarHBondContact CB-OG 3.39Å; P279-S281 PolarHBondContact O-N 3.43Å; S281-G283 VanDerWaalsContact C-N 3.33Å; S281-G283 PolarHBondContact O-N 3.08Å |
| 282 | D | 50.6 | Low | 65.9 | Low | 99 Ų | 99 | 106.7 Ų | 106.7 | 53% | 0.529 | 65% | 0.645 | S | S | . | * | trans | -99.6 | 44.2 | -166.9 | -54.2 | -1.2 | 0 | 0 | 0 | 110.9 | P279 I280 | P279-D282 PolarHBondContact O-N 3.2Å; I280-D282 VanDerWaalsContact C-N 3.25Å; I280-D282 PolarHBondContact O-N 2.9Å | ||
| 283 | G | 40.3 | Very low | 63.8 | Low | 138 Ų | 138 | 102.5 Ų | 102.5 | 100% | 1.423 | 64% | 0.643 | S | S | * | * | trans | -163.6 | 0 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | S281 | S281-G283 VanDerWaalsContact C-N 3.33Å; S281-G283 PolarHBondContact O-N 3.08Å |
Retrieved 283 of 283 residues in 179.1 ms
(Link to these results)