| 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 | 16.3 | Very low | 25.4 | Very low | 246 Ų | 246 | 156.3 Ų | 156.3 | 100% | 1.212 | 86% | 0.859 | S | S | * | * | 0 | 123.7 | 0 | -82 | 135.2 | 113.9 | 0 | 0 | 108.2 | |||||
| 2 | C | 22.8 | Very low | 25.6 | Very low | 122 Ų | 122 | 154.1 Ų | 154.1 | 82% | 0.824 | 85% | 0.853 | S | S | * | * | trans | -61 | 164.2 | 177.6 | -46.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 3 | L | 22.1 | Very low | 25.6 | Very low | 153 Ų | 153 | 158.6 Ų | 158.6 | 80% | 0.801 | 85% | 0.849 | S | S | * | * | cis | -167.9 | 124 | 29.4 | -135.5 | 143.9 | 0 | 0 | 0 | 105.6 | D5 | L3-D5 HydrophobicContact CD2-CB 4.38Å; L3-D5 PolarHBondContact O-N 2.98Å | ||
| 4 | F | 22.3 | Very low | 25.8 | Very low | 225 Ų | 225 | 157.4 Ų | 157.4 | 99% | 0.987 | 85% | 0.851 | S | S | * | * | trans | -82.9 | 99 | 172.8 | -79.7 | -87.6 | 0 | 0 | 0 | 108.7 | ||||
| 5 | D | 28.8 | Very low | 26 | Very low | 131 Ų | 131 | 156.1 Ų | 156.1 | 70% | 0.701 | 85% | 0.85 | S | S | * | * | trans | -136.4 | 96.6 | 172.5 | -174.6 | 37 | 0 | 0 | 0 | 110 | L3 | L3-D5 HydrophobicContact CD2-CB 4.38Å; L3-D5 PolarHBondContact O-N 2.98Å | ||
| 6 | Q | 37.5 | Very low | 26.1 | Very low | 183 Ų | 183 | 150.9 Ų | 150.9 | 86% | 0.855 | 84% | 0.844 | S | S | * | * | trans | -156.5 | 77 | 153.4 | -69.3 | -160.4 | -24.2 | 0 | 0 | 108.5 | K8 | Q6-K8 PolarHBondContact O-N 3.01Š| ||
| 7 | G | 27.7 | Very low | 26.1 | Very low | 75 Ų | 75 | 157.2 Ų | 157.2 | 77% | 0.773 | 85% | 0.851 | S | S | * | * | trans | -61.8 | 111.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111 | A9 | G7-A9 PolarHBondContact O-N 2.82Å; G7-A9 VanDerWaalsContact O-N 3.17Å | ||
| 8 | K | 27.1 | Very low | 26.9 | Very low | 195 Ų | 195 | 153.9 Ų | 153.9 | 85% | 0.848 | 84% | 0.84 | S | S | * | * | trans | -74.4 | 100.7 | 173.3 | -69.8 | 176.4 | 179.7 | 171 | 0 | 109.4 | Q6 V10 | Q6-K8 PolarHBondContact O-N 3.01Å; K8-V10 PolarHBondContact O-N 2.87Å | ||
| 9 | A | 24.6 | Very low | 26.8 | Very low | 103 Ų | 103 | 152.7 Ų | 152.7 | 85% | 0.851 | 83% | 0.832 | S | S | * | * | trans | -72 | 116.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | G7 | G7-A9 PolarHBondContact O-N 2.82Å; G7-A9 VanDerWaalsContact O-N 3.17Å | ||
| 10 | V | 28.1 | Very low | 26.8 | Very low | 122 Ų | 122 | 151.8 Ų | 151.8 | 74% | 0.739 | 83% | 0.826 | S | S | * | * | trans | -91.7 | 110.1 | 174.5 | 179.8 | 0 | 0 | 0 | 0 | 108.2 | K8 V12 | K8-V10 PolarHBondContact O-N 2.87Å; V10-V12 HydrophobicContact CG1-CG2 3.93Å; V10-V12 PolarHBondContact O-N 2.92Å | ||
| 11 | L | 21.4 | Very low | 26.8 | Very low | 164 Ų | 164 | 153.3 Ų | 153.3 | 86% | 0.859 | 83% | 0.825 | S | S | * | * | trans | -83 | 96.2 | 174.5 | -169.3 | 84.2 | 0 | 0 | 0 | 108.9 | R13 | L11-R13 PolarHBondContact O-N 3.16Š| ||
| 12 | V | 28.5 | Very low | 27.6 | Very low | 130 Ų | 130 | 147.8 Ų | 147.8 | 79% | 0.788 | 81% | 0.805 | S | S | * | * | trans | -82.5 | 108.4 | 176.1 | -176.8 | 0 | 0 | 0 | 0 | 108.9 | V10 | V10-V12 HydrophobicContact CG1-CG2 3.93Å; V10-V12 PolarHBondContact O-N 2.92Å | ||
| 13 | R | 25.6 | Very low | 28.1 | Very low | 213 Ų | 213 | 148.6 Ų | 148.6 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -99.3 | 125.4 | 174.3 | -155.7 | 180 | -162.3 | -136.7 | 4.5 | 108.8 | L11 V15 | L11-R13 PolarHBondContact O-N 3.16Å; R13-V15 PolarHBondContact O-N 3.06Å | ||
| 14 | T | 28.4 | Very low | 28.4 | Very low | 142 Ų | 142 | 144 Ų | 144 | 87% | 0.871 | 80% | 0.795 | S | S | * | * | trans | -69.2 | 115.6 | 175.1 | 34.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 15 | V | 28.7 | Very low | 28.6 | Very low | 138 Ų | 138 | 140 Ų | 140 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | trans | -108.8 | 125.2 | 171.6 | -160.4 | 0 | 0 | 0 | 0 | 108 | R13 | R13-V15 PolarHBondContact O-N 3.06Š| ||
| 16 | G | 27.1 | Very low | 28.8 | Very low | 73 Ų | 73 | 140.4 Ų | 140.4 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | trans | 16.5 | 128.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 17 | W | 26.8 | Very low | 28.3 | Very low | 257 Ų | 257 | 135.8 Ų | 135.8 | 97% | 0.973 | 77% | 0.769 | S | S | * | * | trans | -47.7 | 159 | 144.9 | -111.8 | -30.1 | 0 | 0 | 0 | 111.7 | ||||
| 18 | P | 40.1 | Very low | 28.5 | Very low | 99 Ų | 99 | 137.1 Ų | 137.1 | 64% | 0.643 | 76% | 0.762 | S | S | * | * | cis | -136.8 | -170.8 | -0.6 | 34.3 | -10.4 | 0 | 0 | 0 | 114.3 | ||||
| 19 | D | 24.2 | Very low | 28.5 | Very low | 130 Ų | 130 | 135.5 Ų | 135.5 | 70% | 0.695 | 76% | 0.757 | S | S | * | * | trans | 96.9 | 102.5 | 158.6 | -80.3 | -83.5 | 0 | 0 | 0 | 121.4 | ||||
| 20 | L | 27.9 | Very low | 28.8 | Very low | 134 Ų | 134 | 136.7 Ų | 136.7 | 70% | 0.702 | 75% | 0.748 | S | S | * | * | trans | 65.2 | 120.2 | 131.7 | -96.9 | 89.2 | 0 | 0 | 0 | 121.7 | ||||
| 21 | F | 27.5 | Very low | 28.7 | Very low | 184 Ų | 184 | 137.2 Ų | 137.2 | 81% | 0.807 | 75% | 0.745 | S | S | * | * | trans | 87.3 | 136.7 | 146.3 | -86 | -110.1 | 0 | 0 | 0 | 120.2 | ||||
| 22 | V | 31.9 | Very low | 29.1 | Very low | 130 Ų | 130 | 136.1 Ų | 136.1 | 79% | 0.788 | 74% | 0.739 | S | S | * | * | trans | 85.9 | 72.5 | 168.1 | -157 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 23 | V | 33.2 | Very low | 29.1 | Very low | 140 Ų | 140 | 140.5 Ų | 140.5 | 85% | 0.848 | 74% | 0.742 | S | S | * | * | trans | -112.6 | 105.7 | 137.8 | -176.6 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 24 | G | 28.2 | Very low | 29.2 | Very low | 56 Ų | 56 | 140.4 Ų | 140.4 | 58% | 0.577 | 74% | 0.742 | S | S | * | * | trans | -56.5 | 133.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | I26 | G24-I26 PolarHBondContact O-N 3.32Š| ||
| 25 | N | 27 | Very low | 29.2 | Very low | 140 Ų | 140 | 139.9 Ų | 139.9 | 75% | 0.749 | 74% | 0.738 | S | S | * | * | trans | 37.8 | 66.7 | 143.3 | -153.6 | 32.9 | 0 | 0 | 0 | 116.4 | V27 | N25-V27 VanDerWaalsContact C-N 3.27Å; N25-V27 WeakPolarHBondContact ND2-CG2 3.35Å; N25-V27 PolarHBondContact O-N 3.06Å; N25-V27 VanDerWaalsContact O-N 3.08Å; N25-V27 WeakPolarHBondContact OD1-CG2 3.44Å | ||
| 26 | I | 33.4 | Very low | 29.3 | Very low | 140 Ų | 140 | 137.9 Ų | 137.9 | 72% | 0.718 | 73% | 0.726 | S | S | * | * | trans | -75.7 | 91.8 | 156.6 | -58.6 | 173.4 | 0 | 0 | 0 | 105.6 | G24 T28 | G24-I26 PolarHBondContact O-N 3.32Å; I26-T28 VanDerWaalsContact C-N 3.32Å; I26-T28 HydrophobicContact CG2-CG2 4.25Å; I26-T28 PolarHBondContact O-N 2.78Å | ||
| 27 | V | 27.8 | Very low | 29.3 | Very low | 86 Ų | 86 | 143.7 Ų | 143.7 | 52% | 0.521 | 73% | 0.731 | S | S | . | * | trans | -65.6 | 96.1 | 172.9 | -175.2 | 0 | 0 | 0 | 0 | 107.4 | N25 H29 | N25-V27 VanDerWaalsContact C-N 3.27Å; N25-V27 WeakPolarHBondContact ND2-CG2 3.35Å; N25-V27 PolarHBondContact O-N 3.06Å; N25-V27 VanDerWaalsContact O-N 3.08Å; N25-V27 WeakPolarHBondContact OD1-CG2 3.44Å; V27-H29 VanDerWaalsContact C-N 3.26Å; V27-H29 VanDerWaalsContact CG1-CD2 3.44Å; V27-H29 WeakPolarHBondContact CG1-CD2 3.46Å; V27-H29 PolarHBondContact O-N 2.92Å | ||
| 28 | T | 30.5 | Very low | 29.4 | Very low | 104 Ų | 104 | 143 Ų | 143 | 64% | 0.638 | 73% | 0.728 | S | S | * | * | trans | -73.5 | 83.4 | 171.1 | 44.5 | 0 | 0 | 0 | 0 | 108.4 | I26 I30 | I26-T28 VanDerWaalsContact C-N 3.32Å; I26-T28 HydrophobicContact CG2-CG2 4.25Å; I26-T28 PolarHBondContact O-N 2.78Å; T28-I30 PolarHBondContact O-N 2.95Å | ||
| 29 | H | 27.2 | Very low | 29 | Very low | 160 Ų | 160 | 149.2 Ų | 149.2 | 74% | 0.741 | 74% | 0.739 | S | S | * | * | trans | -67.8 | 76 | 162.2 | -95.4 | -85.6 | 0 | 0 | 0 | 108.7 | V27 I31 | V27-H29 VanDerWaalsContact C-N 3.26Å; V27-H29 VanDerWaalsContact CG1-CD2 3.44Å; V27-H29 WeakPolarHBondContact CG1-CD2 3.46Å; V27-H29 PolarHBondContact O-N 2.92Å; H29-I31 VanDerWaalsContact C-N 3.27Å; H29-I31 PolarHBondContact O-N 2.9Å | ||
| 30 | I | 31.4 | Very low | 29.4 | Very low | 128 Ų | 128 | 149.5 Ų | 149.5 | 66% | 0.656 | 74% | 0.74 | S | S | * | * | trans | -76 | 90.3 | 164.4 | -59.2 | 170.7 | 0 | 0 | 0 | 104.9 | T28 L32 | T28-I30 PolarHBondContact O-N 2.95Å; I30-L32 VanDerWaalsContact C-N 3.26Å; I30-L32 HydrophobicContact CG2-CG 4.44Å; I30-L32 PolarHBondContact O-N 3.47Å | ||
| 31 | I | 26.2 | Very low | 29.9 | Very low | 133 Ų | 133 | 148.3 Ų | 148.3 | 68% | 0.682 | 74% | 0.74 | S | S | * | * | trans | -64.9 | 97.1 | 168.1 | -58.2 | 176.1 | 0 | 0 | 0 | 106 | H29 W33 | H29-I31 VanDerWaalsContact C-N 3.27Å; H29-I31 PolarHBondContact O-N 2.9Å; I31-W33 HydrophobicContact CG2-CB 4.47Å; I31-W33 HydrophobicContact CG2-CG 4.4Å; I31-W33 PolarHBondContact O-N 3.33Å | ||
| 32 | L | 28.9 | Very low | 30.3 | Very low | 141 Ų | 141 | 147.1 Ų | 147.1 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | trans | -66.2 | 69.8 | 173.8 | -96.3 | 134.5 | 0 | 0 | 0 | 109.9 | I30 | I30-L32 VanDerWaalsContact C-N 3.26Å; I30-L32 HydrophobicContact CG2-CG 4.44Å; I30-L32 PolarHBondContact O-N 3.47Å | ||
| 33 | W | 28.6 | Very low | 30.3 | Very low | 222 Ų | 222 | 143.8 Ų | 143.8 | 84% | 0.841 | 73% | 0.734 | S | S | * | * | trans | -112.2 | 83.9 | 165.1 | -84.7 | 67.2 | 0 | 0 | 0 | 109 | I31 V35 | I31-W33 HydrophobicContact CG2-CB 4.47Å; I31-W33 HydrophobicContact CG2-CG 4.4Å; I31-W33 PolarHBondContact O-N 3.33Å; W33-V35 PolarHBondContact O-N 3.47Å | ||
| 34 | R | 28.4 | Very low | 30.3 | Very low | 212 Ų | 212 | 145 Ų | 145 | 80% | 0.8 | 73% | 0.734 | S | S | * | * | trans | -61.2 | 90.5 | 172.8 | -166.4 | -164.6 | -86.4 | -160.5 | -6.8 | 108.9 | V36 | R34-V36 VanDerWaalsContact C-N 3.29Å; R34-V36 HydrophobicContact CG-CG2 3.8Å; R34-V36 PolarHBondContact O-N 3.22Å | ||
| 35 | V | 28.9 | Very low | 30.5 | Very low | 131 Ų | 131 | 146 Ų | 146 | 79% | 0.794 | 74% | 0.744 | S | S | * | * | trans | -78 | 83.5 | 172 | -176.8 | 0 | 0 | 0 | 0 | 108.7 | W33 | W33-V35 PolarHBondContact O-N 3.47Š| ||
| 36 | V | 30.9 | Very low | 30.7 | Very low | 96 Ų | 96 | 145.6 Ų | 145.6 | 58% | 0.582 | 75% | 0.747 | S | S | * | * | trans | -80 | 118.9 | 165.5 | 178.7 | 0 | 0 | 0 | 0 | 107.9 | R34 | R34-V36 VanDerWaalsContact C-N 3.29Å; R34-V36 HydrophobicContact CG-CG2 3.8Å; R34-V36 PolarHBondContact O-N 3.22Å | ||
| 37 | K | 26.1 | Very low | 30.7 | Very low | 195 Ų | 195 | 148.8 Ų | 148.8 | 85% | 0.848 | 76% | 0.755 | S | S | * | * | trans | 33.9 | 92.4 | 161.5 | -74.6 | -173.5 | 172.1 | 177.5 | 0 | 116 | ||||
| 38 | W | 29.8 | Very low | 31.1 | Very low | 242 Ų | 242 | 151.8 Ų | 151.8 | 92% | 0.917 | 77% | 0.768 | S | S | * | * | trans | -113.9 | 116.9 | 147.8 | -79.4 | 84.9 | 0 | 0 | 0 | 109.8 | ||||
| 39 | R | 30.7 | Very low | 31 | Very low | 230 Ų | 230 | 156.3 Ų | 156.3 | 87% | 0.868 | 78% | 0.779 | S | S | * | * | trans | -67.8 | 138.1 | 178.7 | -170 | 175 | 179.8 | 143.8 | -1.3 | 108.2 | P41 | R39-P41 WeakPolarHBondContact O-CD 3.37Š| ||
| 40 | D | 33.4 | Very low | 31.1 | Very low | 136 Ų | 136 | 156 Ų | 156 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -25.5 | 114.2 | 174.8 | -169.7 | 12.3 | 0 | 0 | 0 | 115.7 | ||||
| 41 | P | 38.4 | Very low | 31.3 | Very low | 108 Ų | 108 | 157 Ų | 157 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | trans | -116.5 | 101.6 | 159 | 32.9 | -15.8 | 0 | 0 | 0 | 108.9 | R39 G43 | R39-P41 WeakPolarHBondContact O-CD 3.37Å; P41-G43 PolarHBondContact O-N 3.49Å | ||
| 42 | N | 36.2 | Very low | 31.5 | Very low | 160 Ų | 160 | 157 Ų | 157 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | trans | -47.5 | 105.7 | 152.9 | -81.6 | -38.7 | 0 | 0 | 0 | 108.4 | ||||
| 43 | G | 31.1 | Very low | 31.6 | Very low | 59 Ų | 59 | 159.6 Ų | 159.6 | 61% | 0.608 | 80% | 0.803 | S | S | * | * | trans | -170.1 | 70.6 | -165.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | P41 | P41-G43 PolarHBondContact O-N 3.49Š| ||
| 44 | I | 32.9 | Very low | 31.9 | Very low | 167 Ų | 167 | 157 Ų | 157 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | trans | 68.6 | 119.5 | 145.3 | -52.3 | -179.8 | 0 | 0 | 0 | 117.2 | T46 | I44-T46 PolarHBondContact O-N 3.08Š| ||
| 45 | G | 32.2 | Very low | 31.8 | Very low | 76 Ų | 76 | 150.2 Ų | 150.2 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | trans | -60.4 | 118.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115 | K47 | G45-K47 PolarHBondContact O-N 3.13Š| ||
| 46 | T | 31.1 | Very low | 31.8 | Very low | 132 Ų | 132 | 147.1 Ų | 147.1 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | trans | -77.1 | 116.1 | 162.8 | 53.9 | 0 | 0 | 0 | 0 | 108.6 | I44 L48 | I44-T46 PolarHBondContact O-N 3.08Å; T46-L48 PolarHBondContact O-N 3.46Å; T46-L48 VanDerWaalsContact O-N 3.09Å | ||
| 47 | K | 34.7 | Very low | 31.9 | Very low | 206 Ų | 206 | 149.7 Ų | 149.7 | 90% | 0.896 | 81% | 0.807 | S | S | * | * | trans | -58.7 | 111.9 | 171.1 | -74 | 175.9 | 176.7 | 176.9 | 0 | 108.8 | G45 | G45-K47 PolarHBondContact O-N 3.13Š| ||
| 48 | L | 35 | Very low | 32.3 | Very low | 149 Ų | 149 | 147 Ų | 147 | 78% | 0.78 | 81% | 0.807 | S | S | * | * | trans | -57.3 | 146.2 | 161.1 | -79.4 | 152.3 | 0 | 0 | 0 | 108 | T46 | T46-L48 PolarHBondContact O-N 3.46Å; T46-L48 VanDerWaalsContact O-N 3.09Å | ||
| 49 | F | 29 | Very low | 32.6 | Very low | 200 Ų | 200 | 142.8 Ų | 142.8 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | trans | 97.1 | 67.4 | 176.3 | -57.6 | -75.4 | 0 | 0 | 0 | 117 | ||||
| 50 | D | 28.8 | Very low | 32.9 | Very low | 154 Ų | 154 | 141.5 Ų | 141.5 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | -144.6 | 48.9 | 146.7 | -142.4 | 9.5 | 0 | 0 | 0 | 112.7 | L52 | D50-L52 PolarHBondContact O-N 3.42Š| ||
| 51 | V | 35.4 | Very low | 33 | Very low | 148 Ų | 148 | 141.5 Ų | 141.5 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | trans | -91.9 | 89.1 | 164.6 | -173 | 0 | 0 | 0 | 0 | 107.4 | Q53 | V51-Q53 PolarHBondContact O-N 2.93Š| ||
| 52 | L | 30.6 | Very low | 32.6 | Very low | 134 Ų | 134 | 141.2 Ų | 141.2 | 70% | 0.702 | 80% | 0.8 | S | S | * | * | trans | -26.8 | 123.6 | 164.8 | -146.7 | 82.7 | 0 | 0 | 0 | 112.3 | D50 L54 | D50-L52 PolarHBondContact O-N 3.42Å; L52-L54 PolarHBondContact O-N 3.08Å | ||
| 53 | Q | 31.3 | Very low | 32.8 | Very low | 194 Ų | 194 | 139.1 Ų | 139.1 | 91% | 0.907 | 80% | 0.795 | S | S | * | * | trans | -60.5 | 96.5 | 166.6 | -84.8 | 174.5 | 14.3 | 0 | 0 | 108.9 | V51 G55 | V51-Q53 PolarHBondContact O-N 2.93Å; Q53-G55 VanDerWaalsContact C-N 3.31Å; Q53-G55 PolarHBondContact O-N 3.18Å | ||
| 54 | L | 34.9 | Very low | 32.8 | Very low | 168 Ų | 168 | 142 Ų | 142 | 88% | 0.88 | 80% | 0.801 | S | S | * | * | trans | -69 | 96.1 | 163.6 | -88 | 160 | 0 | 0 | 0 | 107.4 | L52 | L52-L54 PolarHBondContact O-N 3.08Š| ||
| 55 | G | 27.1 | Very low | 32.9 | Very low | 70 Ų | 70 | 139 Ų | 139 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | trans | -63.3 | 147.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q53 | Q53-G55 VanDerWaalsContact C-N 3.31Å; Q53-G55 PolarHBondContact O-N 3.18Å | ||
| 56 | G | 28 | Very low | 32.7 | Very low | 66 Ų | 66 | 141.6 Ų | 141.6 | 68% | 0.68 | 79% | 0.786 | S | S | * | * | trans | 73.7 | 84.9 | 140.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 57 | N | 34 | Very low | 32.8 | Very low | 150 Ų | 150 | 138.5 Ų | 138.5 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | 157 | 108.5 | 112 | -80.7 | -15.5 | 0 | 0 | 0 | 112.1 | L59 | N57-L59 PolarHBondContact O-N 3.09Š| |||
| 58 | T | 34 | Very low | 32.4 | Very low | 138 Ų | 138 | 131.4 Ų | 131.4 | 85% | 0.847 | 75% | 0.751 | S | S | * | * | trans | 44.8 | 67.4 | 133 | 13 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 59 | L | 36.2 | Very low | 32.3 | Very low | 153 Ų | 153 | 127.4 Ų | 127.4 | 80% | 0.801 | 73% | 0.733 | S | S | * | * | trans | -131.9 | 110.6 | 148.7 | -92 | 158.9 | 0 | 0 | 0 | 107.9 | N57 I61 | N57-L59 PolarHBondContact O-N 3.09Å; L59-I61 HydrophobicContact CB-CG1 4.46Å; L59-I61 PolarHBondContact O-N 3.36Å | ||
| 60 | H | 36.3 | Very low | 32.3 | Very low | 204 Ų | 204 | 127 Ų | 127 | 94% | 0.944 | 73% | 0.732 | S | S | * | * | trans | -60.9 | 75.8 | 172.4 | -86.6 | 147.3 | 0 | 0 | 0 | 110.1 | ||||
| 61 | I | 35.3 | Very low | 32.6 | Very low | 135 Ų | 135 | 127 Ų | 127 | 69% | 0.692 | 73% | 0.726 | S | S | * | * | trans | -92.3 | 102 | 165.2 | -59 | 177.3 | 0 | 0 | 0 | 105.4 | L59 | L59-I61 HydrophobicContact CB-CG1 4.46Å; L59-I61 PolarHBondContact O-N 3.36Å | ||
| 62 | T | 31 | Very low | 32.4 | Very low | 103 Ų | 103 | 124.7 Ų | 124.7 | 63% | 0.632 | 71% | 0.713 | S | S | * | * | trans | -43.6 | 142.8 | 172.2 | 10.6 | 0 | 0 | 0 | 0 | 111.3 | T64 | T62-T64 PolarHBondContact O-N 2.89Š| ||
| 63 | P | 39.3 | Very low | 32.5 | Very low | 116 Ų | 116 | 124.7 Ų | 124.7 | 75% | 0.753 | 72% | 0.722 | S | S | * | * | trans | -61 | 113.3 | -176.9 | 25 | -32.8 | 0 | 0 | 0 | 109.4 | I65 | P63-I65 PolarHBondContact O-N 2.88Š| ||
| 64 | T | 31.9 | Very low | 32.7 | Very low | 119 Ų | 119 | 119 Ų | 119 | 73% | 0.73 | 72% | 0.716 | S | S | * | * | trans | -67.9 | 105.1 | 173.8 | -28.8 | 0 | 0 | 0 | 0 | 106.7 | T62 V66 | T62-T64 PolarHBondContact O-N 2.89Å; T64-V66 PolarHBondContact O-N 3.28Å | ||
| 65 | I | 35.5 | Very low | 32.6 | Very low | 104 Ų | 104 | 115.6 Ų | 115.6 | 53% | 0.533 | 70% | 0.698 | S | S | . | * | trans | -70.7 | 101.8 | 174.8 | -58.2 | 173.7 | 0 | 0 | 0 | 106.6 | P63 V67 | P63-I65 PolarHBondContact O-N 2.88Å; I65-V67 HydrophobicContact CG2-CG2 3.92Å; I65-V67 PolarHBondContact O-N 3.29Å | ||
| 66 | V | 27.5 | Very low | 32.9 | Very low | 131 Ų | 131 | 117 Ų | 117 | 79% | 0.794 | 69% | 0.689 | S | S | * | * | trans | -72.3 | 96.1 | 173.1 | -177.6 | 0 | 0 | 0 | 0 | 107.5 | T64 G68 | T64-V66 PolarHBondContact O-N 3.28Å; V66-G68 PolarHBondContact O-N 3.49Å | ||
| 67 | V | 33.8 | Very low | 33.5 | Very low | 67 Ų | 67 | 119.2 Ų | 119.2 | 41% | 0.406 | 68% | 0.684 | S | S | . | * | trans | -82.2 | 101.2 | 171.4 | -172.4 | 0 | 0 | 0 | 0 | 107.7 | I65 V69 I139 V141 | I65-V67 HydrophobicContact CG2-CG2 3.92Å; I65-V67 PolarHBondContact O-N 3.29Å; V67-V69 PolarHBondContact O-N 3.32Å; V67-I139 HydrophobicContact CB-CD1 4.05Å; V67-I139 HydrophobicContact CG1-CD1 3.46Å; V67-I139 VanDerWaalsContact CG1-CD1 3.46Å; V67-V141 HydrophobicContact CG2-CG2 4.13Å | ||
| 68 | G | 26.3 | Very low | 33.8 | Very low | 56 Ų | 56 | 119.3 Ų | 119.3 | 58% | 0.577 | 68% | 0.683 | S | S | * | * | trans | -64.4 | 118.9 | 174 | 0 | 0 | 0 | 0 | 0 | 110.7 | V66 | V66-G68 PolarHBondContact O-N 3.49Š| ||
| 69 | V | 33.2 | Very low | 33.7 | Very low | 65 Ų | 65 | 119.6 Ų | 119.6 | 39% | 0.394 | 68% | 0.679 | S | S | . | * | trans | -87.9 | 113.8 | 172.2 | -179.7 | 0 | 0 | 0 | 0 | 108.6 | V67 E71 L137 I139 | V67-V69 PolarHBondContact O-N 3.32Å; V69-E71 PolarHBondContact O-N 2.86Å; V69-L137 HydrophobicContact CB-CD2 4.2Å; V69-L137 HydrophobicContact CG1-CB 3.74Å; V69-L137 HydrophobicContact CG1-CD2 3.5Å; V69-L137 HydrophobicContact CG1-CG 4.24Å; V69-L137 HydrophobicContact CG2-CB 4.32Å; V69-L137 HydrophobicContact CG2-CD2 3.68Å; V69-I139 HydrophobicContact CG2-CD1 3.65Å; V69-I139 HydrophobicContact CG2-CG1 4.33Å | ||
| 70 | F | 27.7 | Very low | 33.6 | Very low | 193 Ų | 193 | 116 Ų | 116 | 85% | 0.846 | 67% | 0.667 | S | S | * | * | trans | -85.5 | 105.6 | 168 | -77.1 | -85.8 | 0 | 0 | 0 | 109.3 | T72 | F70-T72 PolarHBondContact O-N 3.46Š| ||
| 71 | E | 35.2 | Very low | 33.4 | Very low | 152 Ų | 152 | 110 Ų | 110 | 71% | 0.71 | 66% | 0.66 | S | S | * | * | trans | -73.1 | 101.2 | 165.8 | -69.3 | -169.7 | 159.3 | 0 | 0 | 108.5 | V69 C73 | V69-E71 PolarHBondContact O-N 2.86Å; E71-C73 PolarHBondContact O-N 3.07Å | ||
| 72 | T | 32 | Very low | 33.4 | Very low | 101 Ų | 101 | 111.2 Ų | 111.2 | 62% | 0.62 | 67% | 0.667 | S | S | * | * | trans | -75.3 | 127.5 | 171.4 | 62.2 | 0 | 0 | 0 | 0 | 109.1 | F70 G74 | F70-T72 PolarHBondContact O-N 3.46Å; T72-G74 PolarHBondContact O-N 2.99Å; T72-G74 VanDerWaalsContact O-N 3.16Å | ||
| 73 | C | 32.7 | Very low | 33.7 | Very low | 133 Ų | 133 | 113.1 Ų | 113.1 | 90% | 0.899 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -65.5 | 114.1 | -177.4 | -63.9 | 0 | 0 | 0 | 0 | 111.2 | E71 | E71-C73 PolarHBondContact O-N 3.07Š|
| 74 | G | 34.1 | Very low | 33.8 | Very low | 75 Ų | 75 | 110 Ų | 110 | 77% | 0.773 | 65% | 0.646 | S | S | * | * | trans | 69.7 | 47.5 | 148.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | T72 N76 | T72-G74 PolarHBondContact O-N 2.99Å; T72-G74 VanDerWaalsContact O-N 3.16Å; G74-N76 PolarHBondContact O-N 3.28Å | ||
| 75 | I | 33.8 | Very low | 34.5 | Very low | 96 Ų | 96 | 107.8 Ų | 107.8 | 49% | 0.492 | 63% | 0.634 | S | S | . | * | trans | -69.4 | 105.2 | 166.9 | -55.4 | 179.5 | 0 | 0 | 0 | 108.5 | L77 | I75-L77 HydrophobicContact CG2-CD2 4.19Å; I75-L77 HydrophobicContact CG2-CG 4.49Å; I75-L77 PolarHBondContact O-N 2.91Å; I75-L77 VanDerWaalsContact O-N 3.13Å | ||
| 76 | N | 32.7 | Very low | 35 | Very low | 100 Ų | 100 | 107 Ų | 107 | 54% | 0.535 | 63% | 0.63 | S | S | . | * | trans | -73.6 | 96.4 | 171.3 | -176 | -3.8 | 0 | 0 | 0 | 109.2 | G74 I78 | G74-N76 PolarHBondContact O-N 3.28Å; N76-I78 PolarHBondContact O-N 2.99Å; N76-I78 VanDerWaalsContact O-N 3.08Å; N76-I78 PolarHBondContact OD1-N 3.29Å | ||
| 77 | L | 41.4 | Very low | 35.7 | Very low | 113 Ų | 113 | 103.6 Ų | 103.6 | 59% | 0.592 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | -1.3 | -175.5 | -69.2 | 163.6 | 0 | 0 | 0 | 114.6 | I75 | I75-L77 HydrophobicContact CG2-CD2 4.19Å; I75-L77 HydrophobicContact CG2-CG 4.49Å; I75-L77 PolarHBondContact O-N 2.91Å; I75-L77 VanDerWaalsContact O-N 3.13Å |
| 78 | I | 40.4 | Very low | 36.2 | Very low | 152 Ų | 152 | 106.2 Ų | 106.2 | 78% | 0.779 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -34.3 | -179.7 | -59.4 | 175.9 | 0 | 0 | 0 | 111.4 | N76 | N76-I78 PolarHBondContact O-N 2.99Å; N76-I78 VanDerWaalsContact O-N 3.08Å; N76-I78 PolarHBondContact OD1-N 3.29Å |
| 79 | N | 32 | Very low | 36.9 | Very low | 143 Ų | 143 | 104.7 Ų | 104.7 | 77% | 0.765 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.9 | -4.9 | -169.7 | -103.9 | -8.8 | 0 | 0 | 0 | 115.6 | ||
| 80 | C | 33.9 | Very low | 37.3 | Very low | 79 Ų | 79 | 108 Ų | 108 | 53% | 0.534 | 62% | 0.617 | S | S | . | * | trans | -115.9 | 87.1 | 178 | -62 | 0 | 0 | 0 | 0 | 109.3 | L82 | C80-L82 PolarHBondContact O-N 3.02Š| ||
| 81 | G | 31 | Very low | 37.9 | Very low | 77 Ų | 77 | 105.4 Ų | 105.4 | 79% | 0.794 | 60% | 0.601 | S | S | * | * | trans | -65.5 | 18.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115 | F83 | G81-F83 PolarHBondContact O-N 3.06Š| ||
| 82 | L | 37 | Very low | 38 | Very low | 161 Ų | 161 | 101.8 Ų | 101.8 | 84% | 0.843 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -88.6 | 86.3 | 168.2 | -86.7 | 150.2 | 0 | 0 | 0 | 107.4 | C80 | C80-L82 PolarHBondContact O-N 3.02Š|
| 83 | F | 36.8 | Very low | 38.3 | Very low | 143 Ų | 143 | 98.1 Ų | 98.1 | 63% | 0.627 | 56% | 0.564 | S | S | * | * | trans | -36.2 | 132.1 | 175.5 | -87.5 | -97.7 | 0 | 0 | 0 | 113.2 | G81 F110 | G81-F83 PolarHBondContact O-N 3.06Å; F83-F110 HydrophobicContact CE1-CE2 4.49Å | ||
| 84 | P | 41.7 | Very low | 39 | Very low | 50 Ų | 50 | 101.5 Ų | 101.5 | 33% | 0.325 | 56% | 0.558 | S | S | . | * | S | Bend | trans | -75.4 | 176.7 | -179.6 | 35.4 | -36 | 0 | 0 | 0 | 111.4 | L86 | P84-L86 PolarHBondContact O-N 2.85Š|
| 85 | P | 46.9 | Very low | 39.6 | Very low | 72 Ų | 72 | 106.2 Ų | 106.2 | 47% | 0.468 | 55% | 0.552 | S | S | . | * | S | Bend | -73.1 | 64.1 | -104.2 | 40.8 | -25.9 | 0 | 0 | 0 | 112.7 | G87 F88 C89 | P85-G87 PolarHBondContact O-N 3.17Å; P85-F88 HydrophobicContact CB-CB 4.13Å; P85-F88 PolarHBondContact O-N 3.11Å; P85-F88 VanDerWaalsContact O-N 3.12Å; P85-C89 PolarHBondContact O-N 2.96Å | |
| 86 | L | 44.8 | Very low | 39.9 | Very low | 89 Ų | 89 | 105.5 Ų | 105.5 | 47% | 0.466 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -54.8 | -36.8 | 168.4 | -71.9 | 175.9 | 0 | 0 | 0 | 110.4 | P84 F88 F90 F112 | P84-L86 PolarHBondContact O-N 2.85Å; L86-F88 VanDerWaalsContact C-N 3.29Å; L86-F88 PolarHBondContact O-N 3.07Å; L86-F90 WeakPolarHBondContact O-CA 3.33Å; L86-F90 WeakPolarHBondContact O-CB 3.44Å; L86-F90 PolarHBondContact O-N 3.33Å; L86-F112 HydrophobicContact CD2-CE1 3.92Å; L86-F112 HydrophobicContact CD2-CZ 4.4Å |
| 87 | G | 41.9 | Very low | 40.4 | Very low | 58 Ų | 58 | 106 Ų | 106 | 60% | 0.598 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -57.8 | -37.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114 | P85 W91 | P85-G87 PolarHBondContact O-N 3.17Å; G87-W91 VanDerWaalsContact O-CB 3.24Å; G87-W91 WeakPolarHBondContact O-CB 3.37Å; G87-W91 PolarHBondContact O-N 3.47Å |
| 88 | F | 45.1 | Very low | 40.5 | Very low | 123 Ų | 123 | 106.7 Ų | 106.7 | 54% | 0.539 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -79.4 | -49.6 | -178.4 | -168.4 | -100.4 | 0 | 0 | 0 | 112.2 | P85 L86 F90 W91 M92 | P85-F88 HydrophobicContact CB-CB 4.13Å; P85-F88 PolarHBondContact O-N 3.11Å; P85-F88 VanDerWaalsContact O-N 3.12Å; L86-F88 VanDerWaalsContact C-N 3.29Å; L86-F88 PolarHBondContact O-N 3.07Å; F88-F90 VanDerWaalsContact C-N 3.28Å; F88-F90 PolarHBondContact O-N 2.94Å; F88-W91 PolarHBondContact O-N 3.24Å; F88-M92 HydrophobicContact CD1-SD 3.9Å; F88-M92 HydrophobicContact CE1-CE 4.04Å; F88-M92 HydrophobicContact CE1-SD 3.21Å; F88-M92 WeakPolarHBondContact CE1-SD 2.81Å; F88-M92 HydrophobicContact CE2-SD 4.16Å; F88-M92 HydrophobicContact CZ-CE 3.88Å; F88-M92 HydrophobicContact CZ-SD 3.37Å; F88-M92 WeakPolarHBondContact CZ-SD 2.96Å; F88-M92 PolarHBondContact O-N 3.34Å |
| 89 | C | 40.3 | Very low | 40.6 | Very low | 23 Ų | 23 | 100.8 Ų | 100.8 | 16% | 0.155 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -65.4 | -35.1 | 174.8 | -127.5 | 0 | 0 | 0 | 0 | 109 | P85 W91 M92 C93 L101 C114 | P85-C89 PolarHBondContact O-N 2.96Å; C89-W91 PolarHBondContact O-N 3.27Å; C89-M92 PolarHBondContact O-N 3.25Å; C89-C93 WeakPolarHBondContact O-CA 3.21Å; C89-C93 WeakPolarHBondContact O-CB 3.49Å; C89-C93 PolarHBondContact O-N 3.41Å; C89-C93 PolarHBondContact O-SG 2.74Å; C89-L101 HydrophobicContact CB-CD1 4.46Å; C89-L101 HydrophobicContact CB-CD2 4Å; C89-C114 WeakPolarHBondContact CB-SG 3.23Å; C89-C114 WeakPolarHBondContact SG-CB 2.96Å; C89-C114 CovalentContact SG-SG 2.13Å; C89-C114 PolarHBondContact SG-SG 3.36Å |
| 90 | F | 41.9 | Very low | 41 | Very low | 134 Ų | 134 | 98.8 Ų | 98.8 | 59% | 0.588 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.1 | -41.7 | 173.5 | -163.8 | -93.6 | 0 | 0 | 0 | 112.3 | L86 F88 R94 | L86-F90 WeakPolarHBondContact O-CA 3.33Å; L86-F90 WeakPolarHBondContact O-CB 3.44Å; L86-F90 PolarHBondContact O-N 3.33Å; F88-F90 VanDerWaalsContact C-N 3.28Å; F88-F90 PolarHBondContact O-N 2.94Å; F90-R94 WeakPolarHBondContact O-CB 3.24Å; F90-R94 PolarHBondContact O-N 2.92Å |
| 91 | W | 41.1 | Very low | 41.4 | Very low | 139 Ų | 139 | 98.3 Ų | 98.3 | 53% | 0.527 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.9 | -41.6 | 175.6 | -171.8 | 71.1 | 0 | 0 | 0 | 112.4 | G87 F88 C89 R94 R95 | G87-W91 VanDerWaalsContact O-CB 3.24Å; G87-W91 WeakPolarHBondContact O-CB 3.37Å; G87-W91 PolarHBondContact O-N 3.47Å; F88-W91 PolarHBondContact O-N 3.24Å; C89-W91 PolarHBondContact O-N 3.27Å; W91-R94 PolarHBondContact O-N 3.12Å; W91-R95 PolarHBondContact O-N 2.13Å |
| 92 | M | 36.1 | Very low | 41.7 | Very low | 76 Ų | 76 | 98.6 Ų | 98.6 | 37% | 0.374 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.7 | -42.2 | 175.9 | -118.8 | 126.3 | 169.4 | 0 | 0 | 112.5 | F88 C89 R94 R95 N96 F116 | F88-M92 HydrophobicContact CD1-SD 3.9Å; F88-M92 HydrophobicContact CE1-CE 4.04Å; F88-M92 HydrophobicContact CE1-SD 3.21Å; F88-M92 WeakPolarHBondContact CE1-SD 2.81Å; F88-M92 HydrophobicContact CE2-SD 4.16Å; F88-M92 HydrophobicContact CZ-CE 3.88Å; F88-M92 HydrophobicContact CZ-SD 3.37Å; F88-M92 WeakPolarHBondContact CZ-SD 2.96Å; F88-M92 PolarHBondContact O-N 3.34Å; C89-M92 PolarHBondContact O-N 3.25Å; M92-R94 VanDerWaalsContact C-N 3.32Å; M92-R95 PolarHBondContact O-N 3.42Å; M92-N96 PolarHBondContact O-N 2.93Å; M92-N96 VanDerWaalsContact O-N 3.16Å; M92-F116 HydrophobicContact CB-CE1 4.46Å; M92-F116 HydrophobicContact CB-CZ 4.49Å |
| 93 | C | 39 | Very low | 41.9 | Very low | 25 Ų | 25 | 94.2 Ų | 94.2 | 17% | 0.169 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -65.9 | -35.2 | 175.2 | -65.6 | 0 | 0 | 0 | 0 | 111 | C89 R95 N96 C99 | C89-C93 WeakPolarHBondContact O-CA 3.21Å; C89-C93 WeakPolarHBondContact O-CB 3.49Å; C89-C93 PolarHBondContact O-N 3.41Å; C89-C93 PolarHBondContact O-SG 2.74Å; C93-R95 VanDerWaalsContact C-N 3.26Å; C93-R95 PolarHBondContact O-N 3.09Å; C93-N96 CarbonylContact O-C 3.39Å; C93-N96 PolarHBondContact O-N 3.01Å; C93-C99 HydrophobicContact CB-CB 3.7Å; C93-C99 WeakPolarHBondContact SG-CB 3.37Å |
| 94 | R | 47.6 | Very low | 41.9 | Very low | 204 Ų | 204 | 94.1 Ų | 94.1 | 77% | 0.77 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -68.6 | -25.7 | 177.2 | -164.4 | 174.5 | -159.4 | -133.6 | 3.5 | 112.4 | F90 W91 M92 | F90-R94 WeakPolarHBondContact O-CB 3.24Å; F90-R94 PolarHBondContact O-N 2.92Å; W91-R94 PolarHBondContact O-N 3.12Å; M92-R94 VanDerWaalsContact C-N 3.32Å |
| 95 | R | 45.8 | Very low | 41.3 | Very low | 173 Ų | 173 | 98.2 Ų | 98.2 | 65% | 0.653 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -82.4 | -29.3 | 171.8 | -77 | -147.1 | -136.8 | -179.8 | 4.4 | 113.9 | W91 M92 C93 | W91-R95 PolarHBondContact O-N 2.13Å; M92-R95 PolarHBondContact O-N 3.42Å; C93-R95 VanDerWaalsContact C-N 3.26Å; C93-R95 PolarHBondContact O-N 3.09Å |
| 96 | N | 40.4 | Very low | 40.7 | Very low | 82 Ų | 82 | 102.9 Ų | 102.9 | 44% | 0.439 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -118 | 108.3 | -175.9 | -72.8 | -34.7 | 0 | 0 | 0 | 110.3 | M92 C93 H98 | M92-N96 PolarHBondContact O-N 2.93Å; M92-N96 VanDerWaalsContact O-N 3.16Å; C93-N96 CarbonylContact O-C 3.39Å; C93-N96 PolarHBondContact O-N 3.01Å; N96-H98 PolarHBondContact O-N 3.13Å |
| 97 | S | 42.3 | Very low | 40.1 | Very low | 109 Ų | 109 | 106 Ų | 106 | 76% | 0.762 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -1.7 | -170.9 | -13.7 | 0 | 0 | 0 | 0 | 116.5 | ||
| 98 | H | 43.6 | Very low | 39.9 | Very low | 128 Ų | 128 | 113 Ų | 113 | 59% | 0.593 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.2 | 39.6 | -170.5 | -61.9 | -73.9 | 0 | 0 | 0 | 113 | N96 G117 | N96-H98 PolarHBondContact O-N 3.13Å; H98-G117 PolarHBondContact O-N 3.02Å |
| 99 | C | 43.5 | Very low | 39.8 | Very low | 28 Ų | 28 | 108.9 Ų | 108.9 | 19% | 0.189 | 52% | 0.518 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 119.5 | 170.9 | -67.8 | 0 | 0 | 0 | 0 | 111.2 | C93 F116 | C93-C99 HydrophobicContact CB-CB 3.7Å; C93-C99 WeakPolarHBondContact SG-CB 3.37Å; C99-F116 WeakPolarHBondContact SG-CD1 3.33Å; C99-F116 WeakPolarHBondContact SG-CE1 3.05Å |
| 100 | T | 40.4 | Very low | 40 | Very low | 101 Ų | 101 | 110.5 Ų | 110.5 | 62% | 0.62 | 52% | 0.523 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 118.1 | 167.1 | -53.6 | 0 | 0 | 0 | 0 | 108.1 | V115 | T100-V115 PolarHBondContact N-O 2.73Å; T100-V115 PolarHBondContact O-N 2.94Å |
| 101 | L | 42.1 | Very low | 40.3 | Very low | 69 Ų | 69 | 105.3 Ų | 105.3 | 36% | 0.361 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 122.3 | 172.5 | -68 | 179.9 | 0 | 0 | 0 | 109.1 | C89 C114 | C89-L101 HydrophobicContact CB-CD1 4.46Å; C89-L101 HydrophobicContact CB-CD2 4Å; L101-C114 HydrophobicContact CD2-CB 3.82Å; L101-C114 WeakPolarHBondContact CD2-SG 3.4Å |
| 102 | L | 37.4 | Very low | 40.4 | Very low | 83 Ų | 83 | 100 Ų | 100 | 44% | 0.435 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 113.9 | 170.8 | -162 | 60.4 | 0 | 0 | 0 | 108.5 | Y104 V113 | L102-Y104 HydrophobicContact CB-CE2 4.42Å; L102-Y104 HydrophobicContact CD1-CE2 4.31Å; L102-Y104 HydrophobicContact CD2-CD2 4.32Å; L102-Y104 HydrophobicContact CD2-CE2 3.28Å; L102-Y104 WeakPolarHBondContact CD2-OH 3.43Å; L102-Y104 HydrophobicContact CG-CD2 4.01Å; L102-Y104 HydrophobicContact CG-CE2 3.36Å; L102-V113 PolarHBondContact N-O 3.32Å; L102-V113 VanDerWaalsContact N-O 3.13Å; L102-V113 PolarHBondContact O-N 3.16Å |
| 103 | S | 40.8 | Very low | 40.9 | Very low | 69 Ų | 69 | 97.6 Ų | 97.6 | 48% | 0.483 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 124.7 | 176 | 52.1 | 0 | 0 | 0 | 0 | 109.6 | F110 | S103-F110 VanDerWaalsContact CB-CZ 3.49Å |
| 104 | Y | 36.7 | Very low | 41.2 | Very low | 141 Ų | 141 | 96.6 Ų | 96.6 | 55% | 0.553 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117 | 132.6 | 172.2 | -73.9 | -78.8 | 0 | 0 | 0 | 110.6 | L102 T111 | L102-Y104 HydrophobicContact CB-CE2 4.42Å; L102-Y104 HydrophobicContact CD1-CE2 4.31Å; L102-Y104 HydrophobicContact CD2-CD2 4.32Å; L102-Y104 HydrophobicContact CD2-CE2 3.28Å; L102-Y104 WeakPolarHBondContact CD2-OH 3.43Å; L102-Y104 HydrophobicContact CG-CD2 4.01Å; L102-Y104 HydrophobicContact CG-CE2 3.36Å; Y104-T111 PolarHBondContact N-O 2.72Å; Y104-T111 VanDerWaalsContact N-O 3.07Å; Y104-T111 PolarHBondContact O-N 3.45Å |
| 105 | L | 30.4 | Very low | 41.1 | Very low | 136 Ų | 136 | 89.2 Ų | 89.2 | 71% | 0.712 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 109.8 | 170.2 | -169.4 | 106.5 | 0 | 0 | 0 | 107.9 | F110 | L105-F110 HydrophobicContact CD1-CD2 3.89Å; L105-F110 HydrophobicContact CD1-CE2 4.47Å |
| 106 | Y | 32.6 | Very low | 41 | Very low | 170 Ų | 170 | 82.7 Ų | 82.7 | 67% | 0.667 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 125 | 170.1 | -164.9 | -98.6 | 0 | 0 | 0 | 110.2 | K108 T109 | Y106-K108 PolarHBondContact O-N 3.38Å; Y106-K108 VanDerWaalsContact O-N 3.07Å; Y106-T109 PolarHBondContact N-O 3.27Å; Y106-T109 PolarHBondContact O-N 3.27Å |
| 107 | E | 32.2 | Very low | 41 | Very low | 155 Ų | 155 | 80 Ų | 80 | 72% | 0.724 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 26.5 | 64.1 | 177.7 | -66.7 | -165.3 | 159.4 | 0 | 0 | 115.1 | T109 | E107-T109 PolarHBondContact O-N 3.38Š|
| 108 | K | 39.1 | Very low | 40.9 | Very low | 204 Ų | 204 | 79.8 Ų | 79.8 | 89% | 0.887 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.9 | 9.9 | 175.5 | -49.4 | 175.2 | 179.3 | 175.2 | 0 | 116.6 | Y106 | Y106-K108 PolarHBondContact O-N 3.38Å; Y106-K108 VanDerWaalsContact O-N 3.07Å |
| 109 | T | 42.1 | Very low | 40.6 | Very low | 37 Ų | 37 | 80 Ų | 80 | 23% | 0.227 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 116.5 | 174.7 | -39.5 | 0 | 0 | 0 | 0 | 109.8 | Y106 E107 T111 I129 P130 | Y106-T109 PolarHBondContact N-O 3.27Å; Y106-T109 PolarHBondContact O-N 3.27Å; E107-T109 PolarHBondContact O-N 3.38Å; T109-T111 PolarHBondContact O-N 2.78Å; T109-I129 HydrophobicContact CG2-CG2 3.84Å; T109-P130 HydrophobicContact CG2-CG 4.33Å; T109-P130 WeakPolarHBondContact CG2-O 3.13Å |
| 110 | F | 45.1 | Very low | 40.4 | Very low | 57 Ų | 57 | 84.6 Ų | 84.6 | 25% | 0.25 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 101.3 | 180 | -162.4 | -72.6 | 0 | 0 | 0 | 109.7 | F83 S103 L105 F112 P130 | F83-F110 HydrophobicContact CE1-CE2 4.49Å; S103-F110 VanDerWaalsContact CB-CZ 3.49Å; L105-F110 HydrophobicContact CD1-CD2 3.89Å; L105-F110 HydrophobicContact CD1-CE2 4.47Å; F110-F112 HydrophobicContact CD1-CD1 4.31Å; F110-F112 AromaticContact CD1-CD2 3.53Å; F110-F112 HydrophobicContact CD1-CD2 3.53Å; F110-F112 HydrophobicContact CD1-CE1 4.03Å; F110-F112 AromaticContact CD1-CE2 3.18Å; F110-F112 HydrophobicContact CD1-CE2 3.18Å; F110-F112 HydrophobicContact CD1-CG 4.1Å; F110-F112 AromaticContact CD1-CZ 3.47Å; F110-F112 HydrophobicContact CD1-CZ 3.47Å; F110-F112 VanDerWaalsContact CD1-CZ 3.47Å; F110-F112 AromaticContact CE1-CD1 3.72Å; F110-F112 HydrophobicContact CE1-CD1 3.72Å; F110-F112 AromaticContact CE1-CD2 3.79Å; F110-F112 HydrophobicContact CE1-CD2 3.79Å; F110-F112 AromaticContact CE1-CE1 3.27Å; F110-F112 HydrophobicContact CE1-CE1 3.27Å; F110-F112 AromaticContact CE1-CE2 3.35Å; F110-F112 HydrophobicContact CE1-CE2 3.35Å; F110-F112 AromaticContact CE1-CG 3.97Å; F110-F112 HydrophobicContact CE1-CG 3.97Å; F110-F112 AromaticContact CE1-CZ 3.07Å; F110-F112 HydrophobicContact CE1-CZ 3.07Å; F110-F112 HydrophobicContact CG-CE2 4.25Å; F110-F112 HydrophobicContact CZ-CE1 4.07Å; F110-F112 HydrophobicContact CZ-CE2 4.47Å; F110-F112 AromaticContact CZ-CZ 3.91Å; F110-F112 HydrophobicContact CZ-CZ 3.91Å; F110-P130 HydrophobicContact CB-CG 4.41Å; F110-P130 WeakPolarHBondContact O-CD 3.43Å; F110-P130 WeakPolarHBondContact O-CG 3.18Å |
| 111 | T | 48.5 | Very low | 40.2 | Very low | 25 Ų | 25 | 81.3 Ų | 81.3 | 15% | 0.153 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 122 | -178.9 | -55.5 | 0 | 0 | 0 | 0 | 109.8 | Y104 T109 V113 Q127 L128 I129 | Y104-T111 PolarHBondContact N-O 2.72Å; Y104-T111 VanDerWaalsContact N-O 3.07Å; Y104-T111 PolarHBondContact O-N 3.45Å; T109-T111 PolarHBondContact O-N 2.78Å; T111-V113 HydrophobicContact CG2-CG2 4.29Å; T111-Q127 HydrophobicContact CG2-CG 3.74Å; T111-L128 WeakPolarHBondContact CA-O 3.17Å; T111-L128 WeakPolarHBondContact CG2-O 3.12Å; T111-I129 HydrophobicContact CG2-CG1 4.22Å |
| 112 | F | 42.9 | Very low | 40.1 | Very low | 28 Ų | 28 | 80 Ų | 80 | 12% | 0.123 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 126.2 | 171.4 | -71.3 | -87.2 | 0 | 0 | 0 | 109.3 | L86 F110 L128 | L86-F112 HydrophobicContact CD2-CE1 3.92Å; L86-F112 HydrophobicContact CD2-CZ 4.4Å; F110-F112 HydrophobicContact CD1-CD1 4.31Å; F110-F112 AromaticContact CD1-CD2 3.53Å; F110-F112 HydrophobicContact CD1-CD2 3.53Å; F110-F112 HydrophobicContact CD1-CE1 4.03Å; F110-F112 AromaticContact CD1-CE2 3.18Å; F110-F112 HydrophobicContact CD1-CE2 3.18Å; F110-F112 HydrophobicContact CD1-CG 4.1Å; F110-F112 AromaticContact CD1-CZ 3.47Å; F110-F112 HydrophobicContact CD1-CZ 3.47Å; F110-F112 VanDerWaalsContact CD1-CZ 3.47Å; F110-F112 AromaticContact CE1-CD1 3.72Å; F110-F112 HydrophobicContact CE1-CD1 3.72Å; F110-F112 AromaticContact CE1-CD2 3.79Å; F110-F112 HydrophobicContact CE1-CD2 3.79Å; F110-F112 AromaticContact CE1-CE1 3.27Å; F110-F112 HydrophobicContact CE1-CE1 3.27Å; F110-F112 AromaticContact CE1-CE2 3.35Å; F110-F112 HydrophobicContact CE1-CE2 3.35Å; F110-F112 AromaticContact CE1-CG 3.97Å; F110-F112 HydrophobicContact CE1-CG 3.97Å; F110-F112 AromaticContact CE1-CZ 3.07Å; F110-F112 HydrophobicContact CE1-CZ 3.07Å; F110-F112 HydrophobicContact CG-CE2 4.25Å; F110-F112 HydrophobicContact CZ-CE1 4.07Å; F110-F112 HydrophobicContact CZ-CE2 4.47Å; F110-F112 AromaticContact CZ-CZ 3.91Å; F110-F112 HydrophobicContact CZ-CZ 3.91Å; F112-L128 HydrophobicContact CB-CB 4.38Å; F112-L128 PolarHBondContact N-O 2.97Å; F112-L128 VanDerWaalsContact N-O 3.11Å; F112-L128 PolarHBondContact O-N 3.36Å |
| 113 | V | 46.5 | Very low | 40 | Very low | 26 Ų | 26 | 82.3 Ų | 82.3 | 16% | 0.158 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 102.1 | 169.5 | -176.3 | 0 | 0 | 0 | 0 | 107 | L102 T111 V115 L125 V126 Q127 | L102-V113 PolarHBondContact N-O 3.32Å; L102-V113 VanDerWaalsContact N-O 3.13Å; L102-V113 PolarHBondContact O-N 3.16Å; T111-V113 HydrophobicContact CG2-CG2 4.29Å; V113-V115 HydrophobicContact CG1-CG2 4.18Å; V113-L125 HydrophobicContact CG1-CD1 3.33Å; V113-L125 HydrophobicContact CG1-CG 4.03Å; V113-V126 WeakPolarHBondContact CA-O 3.49Å; V113-Q127 HydrophobicContact CG2-CG 4.36Å |
| 114 | C | 44.3 | Very low | 40.1 | Very low | 4 Ų | 4 | 80.9 Ų | 80.9 | 3% | 0.027 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 112.8 | 169.5 | -58.6 | 0 | 0 | 0 | 0 | 106.6 | C89 L101 F116 V126 | C89-C114 WeakPolarHBondContact CB-SG 3.23Å; C89-C114 WeakPolarHBondContact SG-CB 2.96Å; C89-C114 CovalentContact SG-SG 2.13Å; C89-C114 PolarHBondContact SG-SG 3.36Å; L101-C114 HydrophobicContact CD2-CB 3.82Å; L101-C114 WeakPolarHBondContact CD2-SG 3.4Å; C114-F116 HydrophobicContact CB-CD2 4.31Å; C114-F116 HydrophobicContact CB-CE2 3.65Å; C114-F116 HydrophobicContact CB-CZ 4.32Å; C114-V126 PolarHBondContact N-O 3.28Å; C114-V126 VanDerWaalsContact N-O 3.09Å; C114-V126 PolarHBondContact O-N 2.81Å |
| 115 | V | 46.9 | Very low | 40.3 | Very low | 48 Ų | 48 | 77.3 Ų | 77.3 | 29% | 0.291 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 117 | 170.9 | -176.6 | 0 | 0 | 0 | 0 | 108.1 | T100 V113 Y123 I124 L125 | T100-V115 PolarHBondContact N-O 2.73Å; T100-V115 PolarHBondContact O-N 2.94Å; V113-V115 HydrophobicContact CG1-CG2 4.18Å; V115-Y123 HydrophobicContact CG1-CD1 4.3Å; V115-I124 WeakPolarHBondContact CA-O 3.11Å; V115-L125 HydrophobicContact CG2-CD1 3.82Å |
| 116 | F | 43.7 | Very low | 41 | Very low | 37 Ų | 37 | 72 Ų | 72 | 16% | 0.162 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 116.8 | 173.2 | -68.3 | -96.9 | 0 | 0 | 0 | 109.5 | M92 C99 C114 L118 Y123 I124 V126 | M92-F116 HydrophobicContact CB-CE1 4.46Å; M92-F116 HydrophobicContact CB-CZ 4.49Å; C99-F116 WeakPolarHBondContact SG-CD1 3.33Å; C99-F116 WeakPolarHBondContact SG-CE1 3.05Å; C114-F116 HydrophobicContact CB-CD2 4.31Å; C114-F116 HydrophobicContact CB-CE2 3.65Å; C114-F116 HydrophobicContact CB-CZ 4.32Å; F116-L118 PolarHBondContact O-N 3.23Å; F116-Y123 VanDerWaalsContact O-CA 3.32Å; F116-Y123 WeakPolarHBondContact O-CA 3.38Å; F116-I124 HydrophobicContact CB-CB 4.23Å; F116-I124 PolarHBondContact N-O 3.32Å; F116-I124 PolarHBondContact O-N 3.05Å; F116-V126 HydrophobicContact CD2-CG2 4.34Å; F116-V126 HydrophobicContact CE2-CG2 4.22Å |
| 117 | G | 39.1 | Very low | 41.5 | Very low | 26 Ų | 26 | 67 Ų | 67 | 27% | 0.268 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 95 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | H98 | H98-G117 PolarHBondContact O-N 3.02Å |
| 118 | L | 41.2 | Very low | 42 | Very low | 104 Ų | 104 | 62.5 Ų | 62.5 | 55% | 0.545 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 135.6 | 165.1 | -159.7 | 79.9 | 0 | 0 | 0 | 107.5 | F116 N120 G121 T122 | F116-L118 PolarHBondContact O-N 3.23Å; L118-N120 PolarHBondContact O-N 3Å; L118-G121 PolarHBondContact O-N 3.07Å; L118-T122 PolarHBondContact N-O 3.4Å; L118-T122 VanDerWaalsContact N-O 3.15Å |
| 119 | V | 37.4 | Very low | 42.3 | Very low | 131 Ų | 131 | 55.8 Ų | 55.8 | 79% | 0.794 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | -12 | -168.4 | -175.4 | 0 | 0 | 0 | 0 | 114.8 | ||
| 120 | N | 38.9 | Very low | 42.1 | Very low | 126 Ų | 126 | 57 Ų | 57 | 67% | 0.674 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | 44.5 | 177 | -59.2 | -27.5 | 0 | 0 | 0 | 112.9 | L118 T122 | L118-N120 PolarHBondContact O-N 3Å; N120-T122 PolarHBondContact O-N 3.15Å; N120-T122 PolarHBondContact O-OG1 3.25Å |
| 121 | G | 37.2 | Very low | 41.9 | Very low | 32 Ų | 32 | 63.9 Ų | 63.9 | 33% | 0.33 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | 13.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | L118 | L118-G121 PolarHBondContact O-N 3.07Š|
| 122 | T | 39.2 | Very low | 41.6 | Very low | 41 Ų | 41 | 68.3 Ų | 68.3 | 25% | 0.252 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 114.9 | -178.3 | -55.9 | 0 | 0 | 0 | 0 | 108.9 | L118 N120 | L118-T122 PolarHBondContact N-O 3.4Å; L118-T122 VanDerWaalsContact N-O 3.15Å; N120-T122 PolarHBondContact O-N 3.15Å; N120-T122 PolarHBondContact O-OG1 3.25Å |
| 123 | Y | 36.3 | Very low | 41.2 | Very low | 131 Ų | 131 | 75.9 Ų | 75.9 | 51% | 0.514 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 106.5 | -179.1 | -61.8 | -85.3 | 0 | 0 | 0 | 110.1 | V115 F116 L125 | V115-Y123 HydrophobicContact CG1-CD1 4.3Å; F116-Y123 VanDerWaalsContact O-CA 3.32Å; F116-Y123 WeakPolarHBondContact O-CA 3.38Å; Y123-L125 PolarHBondContact O-N 3.43Å |
| 124 | I | 42.4 | Very low | 40.5 | Very low | 39 Ų | 39 | 84.3 Ų | 84.3 | 20% | 0.2 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 116.1 | 175.3 | -55 | 175.8 | 0 | 0 | 0 | 108 | V115 F116 V126 V141 | V115-I124 WeakPolarHBondContact CA-O 3.11Å; F116-I124 HydrophobicContact CB-CB 4.23Å; F116-I124 PolarHBondContact N-O 3.32Å; F116-I124 PolarHBondContact O-N 3.05Å; I124-V126 HydrophobicContact CG2-CG2 3.65Å; I124-V141 HydrophobicContact CG1-CG1 4.31Å; I124-V141 HydrophobicContact CG2-CG1 4.17Å; I124-V141 HydrophobicContact CG2-CG2 4.26Å |
| 125 | L | 39.8 | Very low | 40 | Very low | 67 Ų | 67 | 88.9 Ų | 88.9 | 35% | 0.351 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 87.3 | 175.2 | -172.6 | 82 | 0 | 0 | 0 | 109.9 | V113 V115 Y123 Q127 | V113-L125 HydrophobicContact CG1-CD1 3.33Å; V113-L125 HydrophobicContact CG1-CG 4.03Å; V115-L125 HydrophobicContact CG2-CD1 3.82Å; Y123-L125 PolarHBondContact O-N 3.43Å; L125-Q127 PolarHBondContact O-N 3.27Å; L125-Q127 VanDerWaalsContact O-N 3.17Å |
| 126 | V | 45.2 | Very low | 39.4 | Very low | 25 Ų | 25 | 91.5 Ų | 91.5 | 15% | 0.152 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 101.5 | 176.8 | -169.6 | 0 | 0 | 0 | 0 | 109 | V113 C114 F116 I124 L128 I139 | V113-V126 WeakPolarHBondContact CA-O 3.49Å; C114-V126 PolarHBondContact N-O 3.28Å; C114-V126 VanDerWaalsContact N-O 3.09Å; C114-V126 PolarHBondContact O-N 2.81Å; F116-V126 HydrophobicContact CD2-CG2 4.34Å; F116-V126 HydrophobicContact CE2-CG2 4.22Å; I124-V126 HydrophobicContact CG2-CG2 3.65Å; V126-L128 HydrophobicContact CG1-CD1 3.61Å; V126-I139 HydrophobicContact CG1-CG2 4.23Å |
| 127 | Q | 43 | Very low | 38.9 | Very low | 65 Ų | 65 | 92.4 Ų | 92.4 | 30% | 0.304 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 105.1 | 172.1 | -172 | 174.4 | -11.7 | 0 | 0 | 109.6 | T111 V113 L125 I129 | T111-Q127 HydrophobicContact CG2-CG 3.74Å; V113-Q127 HydrophobicContact CG2-CG 4.36Å; L125-Q127 PolarHBondContact O-N 3.27Å; L125-Q127 VanDerWaalsContact O-N 3.17Å; Q127-I129 HydrophobicContact CG-CG1 4.04Å |
| 128 | L | 43.6 | Very low | 38.7 | Very low | 59 Ų | 59 | 96.1 Ų | 96.1 | 31% | 0.309 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 114.1 | 169.2 | -78.8 | 102.9 | 0 | 0 | 0 | 109.6 | T111 F112 V126 P130 L137 | T111-L128 WeakPolarHBondContact CA-O 3.17Å; T111-L128 WeakPolarHBondContact CG2-O 3.12Å; F112-L128 HydrophobicContact CB-CB 4.38Å; F112-L128 PolarHBondContact N-O 2.97Å; F112-L128 VanDerWaalsContact N-O 3.11Å; F112-L128 PolarHBondContact O-N 3.36Å; V126-L128 HydrophobicContact CG1-CD1 3.61Å; L128-P130 WeakPolarHBondContact O-CD 3.32Å; L128-L137 HydrophobicContact CB-CD1 4.43Å; L128-L137 HydrophobicContact CD2-CD1 4.11Å; L128-L137 HydrophobicContact CD2-CD2 4.45Å; L128-L137 HydrophobicContact CG-CD1 4.18Å |
| 129 | I | 44.7 | Very low | 38.6 | Very low | 64 Ų | 64 | 93 Ų | 93 | 33% | 0.328 | 49% | 0.488 | S | S | . | . | trans | -104.1 | 104.5 | 171.2 | -50.1 | 173.8 | 0 | 0 | 0 | 107.7 | T109 T111 Q127 R131 | T109-I129 HydrophobicContact CG2-CG2 3.84Å; T111-I129 HydrophobicContact CG2-CG1 4.22Å; Q127-I129 HydrophobicContact CG-CG1 4.04Å; I129-R131 VanDerWaalsContact C-N 3.3Å; I129-R131 HydrophobicContact CG2-CG 3.78Å; I129-R131 PolarHBondContact O-N 3.21Å | ||
| 130 | P | 38.5 | Very low | 38.6 | Very low | 62 Ų | 62 | 93.5 Ų | 93.5 | 40% | 0.403 | 48% | 0.476 | S | S | . | . | trans | -75.1 | 84.6 | 172 | 30.4 | -32.3 | 0 | 0 | 0 | 109 | T109 F110 L128 V132 | T109-P130 HydrophobicContact CG2-CG 4.33Å; T109-P130 WeakPolarHBondContact CG2-O 3.13Å; F110-P130 HydrophobicContact CB-CG 4.41Å; F110-P130 WeakPolarHBondContact O-CD 3.43Å; F110-P130 WeakPolarHBondContact O-CG 3.18Å; L128-P130 WeakPolarHBondContact O-CD 3.32Å; P130-V132 PolarHBondContact O-N 2.75Å | ||
| 131 | R | 40.5 | Very low | 38.5 | Very low | 201 Ų | 201 | 90.4 Ų | 90.4 | 76% | 0.758 | 46% | 0.462 | S | S | * | . | trans | -75.3 | 120.9 | 170.5 | -77.5 | -112 | -178.1 | 159.1 | 0.3 | 109.1 | I129 K133 | I129-R131 VanDerWaalsContact C-N 3.3Å; I129-R131 HydrophobicContact CG2-CG 3.78Å; I129-R131 PolarHBondContact O-N 3.21Å; R131-K133 PolarHBondContact O-N 2.96Å | ||
| 132 | V | 41.7 | Very low | 38.2 | Very low | 119 Ų | 119 | 93.1 Ų | 93.1 | 72% | 0.721 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -66.9 | 6.7 | -173.2 | -152.5 | 0 | 0 | 0 | 0 | 114.3 | P130 | P130-V132 PolarHBondContact O-N 2.75Š|
| 133 | K | 34.6 | Very low | 37.7 | Very low | 186 Ų | 186 | 93.5 Ų | 93.5 | 81% | 0.809 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -140.1 | 122.9 | 174.4 | -78.7 | -175.8 | 175.8 | 177 | 0 | 109.1 | R131 | R131-K133 PolarHBondContact O-N 2.96Š|
| 134 | K | 32.9 | Very low | 37.4 | Very low | 204 Ų | 204 | 96.5 Ų | 96.5 | 89% | 0.887 | 50% | 0.497 | S | S | * | . | S | Bend | trans | 2.5 | 118.8 | 164.6 | -68.4 | 177.1 | 176.5 | 179.8 | 0 | 113.3 | ||
| 135 | S | 33 | Very low | 36.8 | Very low | 100 Ų | 100 | 102.2 Ų | 102.2 | 70% | 0.699 | 53% | 0.527 | S | S | * | . | S | Bend | trans | 125.6 | 112.5 | 156.8 | -48.5 | 0 | 0 | 0 | 0 | 112.9 | ||
| 136 | S | 34.5 | Very low | 36.5 | Very low | 103 Ų | 103 | 103.4 Ų | 103.4 | 72% | 0.72 | 54% | 0.537 | S | S | * | . | trans | 69.5 | 98.5 | 148.2 | -38.9 | 0 | 0 | 0 | 0 | 117.5 | L138 | S136-L138 PolarHBondContact O-N 3.19Š| ||
| 137 | L | 34.1 | Very low | 36.1 | Very low | 55 Ų | 55 | 108.2 Ų | 108.2 | 29% | 0.288 | 56% | 0.562 | S | S | . | * | trans | -68.6 | 121.8 | 161.9 | -170 | 86.3 | 0 | 0 | 0 | 109.1 | V69 L128 I139 | V69-L137 HydrophobicContact CB-CD2 4.2Å; V69-L137 HydrophobicContact CG1-CB 3.74Å; V69-L137 HydrophobicContact CG1-CD2 3.5Å; V69-L137 HydrophobicContact CG1-CG 4.24Å; V69-L137 HydrophobicContact CG2-CB 4.32Å; V69-L137 HydrophobicContact CG2-CD2 3.68Å; L128-L137 HydrophobicContact CB-CD1 4.43Å; L128-L137 HydrophobicContact CD2-CD1 4.11Å; L128-L137 HydrophobicContact CD2-CD2 4.45Å; L128-L137 HydrophobicContact CG-CD1 4.18Å; L137-I139 HydrophobicContact CD2-CD1 3.7Å; L137-I139 HydrophobicContact CD2-CG1 3.64Å; L137-I139 HydrophobicContact CG-CG1 4.18Å | ||
| 138 | L | 33.6 | Very low | 35.7 | Very low | 105 Ų | 105 | 112.2 Ų | 112.2 | 55% | 0.55 | 59% | 0.586 | S | S | . | * | trans | -102 | 109 | 175.6 | -169.5 | 62.1 | 0 | 0 | 0 | 109.6 | S136 Y140 | S136-L138 PolarHBondContact O-N 3.19Å; L138-Y140 HydrophobicContact CD2-CD2 4.41Å; L138-Y140 HydrophobicContact CD2-CE2 3.4Å; L138-Y140 VanDerWaalsContact CD2-CE2 3.4Å; L138-Y140 VanDerWaalsContact CD2-CZ 3.47Å; L138-Y140 VanDerWaalsContact CD2-OH 3.23Å; L138-Y140 WeakPolarHBondContact CD2-OH 3.38Å; L138-Y140 HydrophobicContact CG-CD2 4.2Å; L138-Y140 HydrophobicContact CG-CE2 3.65Å | ||
| 139 | I | 40.5 | Very low | 35.4 | Very low | 39 Ų | 39 | 119.6 Ų | 119.6 | 20% | 0.2 | 61% | 0.61 | C | S | . | * | trans | -97 | 117.8 | 176.8 | -58.6 | 179.6 | 0 | 0 | 0 | 108.5 | V67 V69 V126 L137 V141 | V67-I139 HydrophobicContact CB-CD1 4.05Å; V67-I139 HydrophobicContact CG1-CD1 3.46Å; V67-I139 VanDerWaalsContact CG1-CD1 3.46Å; V69-I139 HydrophobicContact CG2-CD1 3.65Å; V69-I139 HydrophobicContact CG2-CG1 4.33Å; V126-I139 HydrophobicContact CG1-CG2 4.23Å; L137-I139 HydrophobicContact CD2-CD1 3.7Å; L137-I139 HydrophobicContact CD2-CG1 3.64Å; L137-I139 HydrophobicContact CG-CG1 4.18Å; I139-V141 HydrophobicContact CG2-CG2 4.04Å | ||
| 140 | Y | 37 | Very low | 35 | Very low | 140 Ų | 140 | 129.9 Ų | 129.9 | 55% | 0.549 | 65% | 0.652 | S | S | . | * | trans | -95 | 106 | 173.3 | -74.8 | -81.5 | 0 | 0 | 0 | 110.6 | L138 | L138-Y140 HydrophobicContact CD2-CD2 4.41Å; L138-Y140 HydrophobicContact CD2-CE2 3.4Å; L138-Y140 VanDerWaalsContact CD2-CE2 3.4Å; L138-Y140 VanDerWaalsContact CD2-CZ 3.47Å; L138-Y140 VanDerWaalsContact CD2-OH 3.23Å; L138-Y140 WeakPolarHBondContact CD2-OH 3.38Å; L138-Y140 HydrophobicContact CG-CD2 4.2Å; L138-Y140 HydrophobicContact CG-CE2 3.65Å | ||
| 141 | V | 35.9 | Very low | 34.8 | Very low | 61 Ų | 61 | 133.3 Ų | 133.3 | 37% | 0.37 | 66% | 0.664 | S | S | . | * | trans | -92 | 103.3 | 171.4 | -178.5 | 0 | 0 | 0 | 0 | 108.5 | V67 I124 I139 | V67-V141 HydrophobicContact CG2-CG2 4.13Å; I124-V141 HydrophobicContact CG1-CG1 4.31Å; I124-V141 HydrophobicContact CG2-CG1 4.17Å; I124-V141 HydrophobicContact CG2-CG2 4.26Å; I139-V141 HydrophobicContact CG2-CG2 4.04Å | ||
| 142 | C | 30.8 | Very low | 34.5 | Very low | 90 Ų | 90 | 129.7 Ų | 129.7 | 61% | 0.608 | 66% | 0.659 | S | S | * | * | trans | -92.3 | 96.4 | 176 | -166.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 143 | G | 29.8 | Very low | 34.1 | Very low | 49 Ų | 49 | 130.3 Ų | 130.3 | 51% | 0.505 | 66% | 0.656 | S | S | . | * | trans | -82.4 | 132.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 144 | R | 28.4 | Very low | 34.1 | Very low | 194 Ų | 194 | 127.1 Ų | 127.1 | 73% | 0.732 | 65% | 0.647 | S | S | * | * | trans | -88.3 | 119.8 | 168.4 | -137.5 | -173.2 | -167.1 | 179 | 4.8 | 108.4 | T146 | R144-T146 PolarHBondContact O-N 3.17Š| ||
| 145 | L | 31.3 | Very low | 34.2 | Very low | 158 Ų | 158 | 122.3 Ų | 122.3 | 83% | 0.827 | 63% | 0.632 | S | S | * | * | trans | -64.9 | 101.8 | 171.1 | -73.7 | 160.6 | 0 | 0 | 0 | 108.5 | N147 | L145-N147 PolarHBondContact O-N 2.83Š| ||
| 146 | T | 33.2 | Very low | 34.2 | Very low | 92 Ų | 92 | 123.7 Ų | 123.7 | 56% | 0.564 | 63% | 0.628 | S | S | * | * | trans | -70.3 | 109.9 | 164.2 | 50.6 | 0 | 0 | 0 | 0 | 106.8 | R144 D148 | R144-T146 PolarHBondContact O-N 3.17Å; T146-D148 VanDerWaalsContact C-N 3.27Å; T146-D148 PolarHBondContact O-N 3.2Å | ||
| 147 | N | 35.5 | Very low | 34.2 | Very low | 127 Ų | 127 | 125.2 Ų | 125.2 | 68% | 0.679 | 62% | 0.621 | S | S | * | * | trans | -73.6 | 88.3 | 173.3 | -165.9 | -10.7 | 0 | 0 | 0 | 107.4 | L145 R149 | L145-N147 PolarHBondContact O-N 2.83Å; N147-R149 PolarHBondContact O-N 3.32Å; N147-R149 WeakPolarHBondContact OD1-CG 3.37Å | ||
| 148 | D | 35 | Very low | 34.2 | Very low | 148 Ų | 148 | 130.6 Ų | 130.6 | 79% | 0.791 | 65% | 0.647 | S | S | * | * | trans | -65.4 | 76.8 | 164.8 | -89.3 | -68.5 | 0 | 0 | 0 | 108.6 | T146 | T146-D148 VanDerWaalsContact C-N 3.27Å; T146-D148 PolarHBondContact O-N 3.2Å | ||
| 149 | R | 38.4 | Very low | 34.3 | Very low | 215 Ų | 215 | 132.8 Ų | 132.8 | 81% | 0.811 | 66% | 0.655 | S | S | * | * | trans | -86.8 | 108.2 | 156.8 | -79 | -155 | -77.4 | 174.9 | -2.9 | 107.7 | N147 | N147-R149 PolarHBondContact O-N 3.32Å; N147-R149 WeakPolarHBondContact OD1-CG 3.37Å | ||
| 150 | K | 35.5 | Very low | 33.7 | Very low | 280 Ų | 280 | 141.3 Ų | 141.3 | 100% | 1.217 | 70% | 0.696 | S | S | * | * | trans | -21.8 | 0 | 152.6 | -92.8 | 178.7 | 170.1 | -179.5 | 0 | 114.1 |
Retrieved 150 of 150 residues in 67.5 ms
(Link to these results)