| 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 | 43.5 | Very low | 36.3 | Very low | 233 Ų | 233 | 147.2 Ų | 147.2 | 100% | 1.148 | 79% | 0.788 | S | S | * | * | 0 | 87.7 | 0 | -62 | -179 | -153.8 | 0 | 0 | 104.9 | |||||
| 2 | E | 34.3 | Very low | 35.9 | Very low | 180 Ų | 180 | 145.3 Ų | 145.3 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | 43.9 | 122.2 | 73.2 | -84.5 | 177.5 | 119 | 0 | 0 | 109.3 | |||||
| 3 | V | 43.2 | Very low | 36.4 | Very low | 117 Ų | 117 | 143.7 Ų | 143.7 | 71% | 0.709 | 79% | 0.794 | S | S | * | * | cis | -166.8 | 143.1 | 29 | -106.1 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 4 | E | 36.5 | Very low | 36 | Very low | 164 Ų | 164 | 140.9 Ų | 140.9 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | 46 | 139.7 | 90.6 | -102.5 | -165.9 | 87.8 | 0 | 0 | 114.2 | |||||
| 5 | N | 31.2 | Very low | 35.7 | Very low | 101 Ų | 101 | 137.9 Ų | 137.9 | 54% | 0.54 | 78% | 0.782 | S | S | . | * | cis | -175.1 | 164.8 | 4 | -140.7 | -15.6 | 0 | 0 | 0 | 108.5 | ||||
| 6 | Q | 36.6 | Very low | 35.8 | Very low | 142 Ų | 142 | 138.4 Ų | 138.4 | 66% | 0.664 | 78% | 0.781 | S | S | * | * | trans | 64.1 | 117.3 | 140.8 | -74.9 | 171.9 | 54.7 | 0 | 0 | 121.4 | ||||
| 7 | N | 31.8 | Very low | 35.7 | Very low | 146 Ų | 146 | 140 Ų | 140 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | 67.9 | 116.7 | 83.3 | -71.6 | 7.8 | 0 | 0 | 0 | 114.9 | |||||
| 8 | T | 36 | Very low | 35.4 | Very low | 141 Ų | 141 | 139.9 Ų | 139.9 | 87% | 0.865 | 78% | 0.784 | S | S | * | * | -163.3 | 125.7 | 127.4 | -9.2 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 9 | L | 38.6 | Very low | 35.4 | Very low | 172 Ų | 172 | 138.4 Ų | 138.4 | 90% | 0.901 | 78% | 0.783 | S | S | * | * | trans | -83.6 | 136.7 | 163.2 | -68.8 | 158.7 | 0 | 0 | 0 | 108.9 | ||||
| 10 | T | 35.3 | Very low | 35.3 | Very low | 121 Ų | 121 | 136.8 Ų | 136.8 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | trans | -152.1 | 98.4 | 161.2 | -43.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 11 | S | 32.7 | Very low | 35.2 | Very low | 102 Ų | 102 | 135.8 Ų | 135.8 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | trans | 41.8 | 127.4 | 136.9 | 61.9 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 12 | C | 31.3 | Very low | 34.6 | Very low | 125 Ų | 125 | 130.1 Ų | 130.1 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | trans | -62 | 156.9 | 149.5 | -51.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 13 | P | 42.2 | Very low | 34.7 | Very low | 124 Ų | 124 | 126.6 Ų | 126.6 | 81% | 0.805 | 76% | 0.761 | S | S | * | * | -136 | 152.5 | 121.5 | 34.7 | -21.5 | 0 | 0 | 0 | 114.1 | |||||
| 14 | S | 30.9 | Very low | 34.4 | Very low | 105 Ų | 105 | 126.2 Ų | 126.2 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | trans | -74.7 | 147.4 | 175.3 | 43.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 15 | S | 31.8 | Very low | 34.4 | Very low | 96 Ų | 96 | 125.7 Ų | 125.7 | 67% | 0.671 | 77% | 0.767 | S | S | * | * | 148.6 | 122.8 | 114.5 | -73.6 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 16 | L | 36.4 | Very low | 34.8 | Very low | 146 Ų | 146 | 126.6 Ų | 126.6 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | trans | 60.3 | 115.2 | 134.7 | -65.2 | 161.3 | 0 | 0 | 0 | 121 | ||||
| 17 | N | 34.5 | Very low | 34.7 | Very low | 165 Ų | 165 | 127.4 Ų | 127.4 | 88% | 0.882 | 78% | 0.783 | S | S | * | * | -163.8 | 141.7 | 124.5 | 33.9 | 24.9 | 0 | 0 | 0 | 112.9 | |||||
| 18 | D | 29.8 | Very low | 34.7 | Very low | 139 Ų | 139 | 127.5 Ų | 127.5 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | trans | -81.7 | 158.8 | -164.4 | -74.9 | -61.1 | 0 | 0 | 0 | 116.1 | ||||
| 19 | S | 35.8 | Very low | 34.4 | Very low | 110 Ų | 110 | 129.9 Ų | 129.9 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | 61 | 142.2 | 143.6 | -59.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 20 | S | 33.8 | Very low | 34 | Very low | 106 Ų | 106 | 130 Ų | 130 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | cis | 176.5 | 138.5 | 6 | 44 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 21 | S | 33.7 | Very low | 34.1 | Very low | 117 Ų | 117 | 131.5 Ų | 131.5 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | 155 | 98.6 | 152.1 | 46 | 0 | 0 | 0 | 0 | 108 | ||||
| 22 | S | 31 | Very low | 34.4 | Very low | 114 Ų | 114 | 131 Ų | 131 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | 61.2 | 97.4 | 90.4 | -171 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 23 | S | 35.2 | Very low | 34.7 | Very low | 105 Ų | 105 | 131.2 Ų | 131.2 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | 178.1 | 93.7 | 133.3 | -75.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 24 | S | 36.9 | Very low | 34.5 | Very low | 109 Ų | 109 | 134.2 Ų | 134.2 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | trans | -97.8 | 93 | 162.6 | 50.5 | 0 | 0 | 0 | 0 | 107.2 | V26 | S24-V26 VanDerWaalsContact C-N 3.29Å; S24-V26 PolarHBondContact O-N 3.38Å | ||
| 25 | D | 36.8 | Very low | 34.7 | Very low | 154 Ų | 154 | 134.4 Ų | 134.4 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | trans | -66.9 | 88.4 | 166.9 | -72.5 | -54.6 | 0 | 0 | 0 | 108.8 | ||||
| 26 | V | 39.8 | Very low | 35.1 | Very low | 119 Ų | 119 | 137.5 Ų | 137.5 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | trans | -93 | 99.5 | 166.1 | -179.1 | 0 | 0 | 0 | 0 | 106.9 | S24 N28 | S24-V26 VanDerWaalsContact C-N 3.29Å; S24-V26 PolarHBondContact O-N 3.38Å; V26-N28 PolarHBondContact O-N 3.1Å | ||
| 27 | L | 34.8 | Very low | 34.8 | Very low | 160 Ų | 160 | 135.9 Ų | 135.9 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | trans | -56.6 | 103.1 | 169.8 | -80.4 | 157.6 | 0 | 0 | 0 | 109.6 | Q29 | L27-Q29 PolarHBondContact O-N 3.27Š| ||
| 28 | N | 31.8 | Very low | 34.9 | Very low | 147 Ų | 147 | 137.7 Ų | 137.7 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | trans | -61.8 | 99.6 | 157.5 | -98.7 | -17.7 | 0 | 0 | 0 | 107.3 | V26 E30 | V26-N28 PolarHBondContact O-N 3.1Å; N28-E30 VanDerWaalsContact C-N 3.29Å; N28-E30 WeakPolarHBondContact O-CG 3.44Å; N28-E30 PolarHBondContact O-N 3.23Å | ||
| 29 | Q | 29.3 | Very low | 35.4 | Very low | 192 Ų | 192 | 137.6 Ų | 137.6 | 90% | 0.897 | 78% | 0.777 | S | S | * | * | trans | -78.7 | 90.5 | 174.4 | -145.2 | 165.6 | 20.6 | 0 | 0 | 108.6 | L27 N31 | L27-Q29 PolarHBondContact O-N 3.27Å; Q29-N31 PolarHBondContact O-N 3.46Å | ||
| 30 | E | 30.6 | Very low | 35.7 | Very low | 173 Ų | 173 | 137.2 Ų | 137.2 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | trans | -31.4 | 120.9 | 162.4 | -36.1 | -172.8 | 130.3 | 0 | 0 | 110.4 | N28 P32 | N28-E30 VanDerWaalsContact C-N 3.29Å; N28-E30 WeakPolarHBondContact O-CG 3.44Å; N28-E30 PolarHBondContact O-N 3.23Å; E30-P32 WeakPolarHBondContact O-CD 3.05Å; E30-P32 VanDerWaalsContact O-N 3.1Å | ||
| 31 | N | 38.1 | Very low | 36.2 | Very low | 154 Ų | 154 | 138.3 Ų | 138.3 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | -65.3 | 104.6 | 177.4 | -141.6 | -25.8 | 0 | 0 | 0 | 107.6 | Q29 L33 | Q29-N31 PolarHBondContact O-N 3.46Å; N31-L33 VanDerWaalsContact C-N 3.31Å; N31-L33 PolarHBondContact O-N 3.14Å | ||
| 32 | P | 38.2 | Very low | 37.2 | Very low | 92 Ų | 92 | 137.5 Ų | 137.5 | 60% | 0.597 | 76% | 0.763 | S | S | * | * | trans | -87.1 | 80.1 | -174.2 | 28.7 | -17.9 | 0 | 0 | 0 | 106.7 | E30 K109 | E30-P32 WeakPolarHBondContact O-CD 3.05Å; E30-P32 VanDerWaalsContact O-N 3.1Å; P32-K109 WeakPolarHBondContact O-CD 3.37Å; P32-K109 PolarHBondContact O-NZ 2.93Å | ||
| 33 | L | 37 | Very low | 38.3 | Very low | 128 Ų | 128 | 137.3 Ų | 137.3 | 67% | 0.67 | 76% | 0.758 | S | S | * | * | trans | -122.7 | 45.6 | 168.5 | -164.3 | 77.9 | 0 | 0 | 0 | 110.4 | N31 K109 | N31-L33 VanDerWaalsContact C-N 3.31Å; N31-L33 PolarHBondContact O-N 3.14Å; L33-K109 HydrophobicContact CD1-CD 3.89Å | ||
| 34 | E | 38.3 | Very low | 40.2 | Very low | 188 Ų | 188 | 133.8 Ų | 133.8 | 88% | 0.879 | 74% | 0.739 | S | S | * | * | trans | -136.3 | 147.2 | 155.5 | -72.5 | -158.2 | 149.7 | 0 | 0 | 108.6 | ||||
| 35 | S | 34.3 | Very low | 42.6 | Very low | 108 Ų | 108 | 132.3 Ų | 132.3 | 76% | 0.755 | 73% | 0.725 | S | S | * | * | S | Bend | trans | 92.4 | 128.1 | -179.7 | -156.4 | 0 | 0 | 0 | 0 | 116.4 | ||
| 36 | L | 40.2 | Very low | 45.1 | Very low | 161 Ų | 161 | 129.2 Ų | 129.2 | 84% | 0.843 | 71% | 0.708 | S | S | * | * | S | Bend | trans | 92.7 | 45.8 | 175.4 | -51 | 173.7 | 0 | 0 | 0 | 118 | ||
| 37 | T | 31.9 | Very low | 47.6 | Very low | 112 Ų | 112 | 125.9 Ų | 125.9 | 69% | 0.687 | 69% | 0.685 | S | S | * | * | -153.2 | 114 | 126.9 | -20.2 | 0 | 0 | 0 | 0 | 109.5 | H39 | T37-H39 WeakPolarHBondContact CG2-CD2 3.27Å; T37-H39 PolarHBondContact O-N 2.9Å | |||
| 38 | H | 34.7 | Very low | 50.3 | Low | 204 Ų | 204 | 120.7 Ų | 120.7 | 94% | 0.944 | 66% | 0.661 | S | S | * | * | trans | -71.1 | 62.8 | 176.2 | -108.3 | -68.6 | 0 | 0 | 0 | 111.2 | ||||
| 39 | H | 41 | Very low | 53.3 | Low | 136 Ų | 136 | 116.1 Ų | 116.1 | 63% | 0.63 | 64% | 0.637 | S | S | * | * | trans | -115.5 | 124.3 | 168.2 | -65.6 | -51.5 | 0 | 0 | 0 | 108.5 | T37 | T37-H39 WeakPolarHBondContact CG2-CD2 3.27Å; T37-H39 PolarHBondContact O-N 2.9Å | ||
| 40 | P | 41.2 | Very low | 56.4 | Low | 103 Ų | 103 | 109.4 Ų | 109.4 | 67% | 0.669 | 60% | 0.603 | S | S | * | * | trans | -56.1 | 144.7 | 173.6 | 24.3 | -32.5 | 0 | 0 | 0 | 109.1 | I42 | P40-I42 PolarHBondContact O-N 3.08Š| ||
| 41 | P | 45 | Very low | 59.5 | Low | 128 Ų | 128 | 101.2 Ų | 101.2 | 83% | 0.831 | 57% | 0.565 | S | S | * | * | trans | -54.7 | 112.3 | 178.7 | 21 | -30.6 | 0 | 0 | 0 | 108.2 | P43 | P41-P43 VanDerWaalsContact O-CD 3.23Å; P41-P43 WeakPolarHBondContact O-CD 3.28Å | ||
| 42 | I | 55.5 | Low | 62.3 | Low | 101 Ų | 101 | 97 Ų | 97 | 52% | 0.518 | 54% | 0.539 | S | S | . | . | trans | -70 | 117.6 | -174.2 | -61 | 171.4 | 0 | 0 | 0 | 106.3 | P40 G44 | P40-I42 PolarHBondContact O-N 3.08Å; I42-G44 PolarHBondContact O-N 2.71Å | ||
| 43 | P | 54.4 | Low | 65 | Low | 109 Ų | 109 | 92.6 Ų | 92.6 | 71% | 0.708 | 51% | 0.511 | S | S | * | . | trans | -62.7 | 111.1 | 175.4 | 24.7 | -32.2 | 0 | 0 | 0 | 108.5 | P41 | P41-P43 VanDerWaalsContact O-CD 3.23Å; P41-P43 WeakPolarHBondContact O-CD 3.28Å | ||
| 44 | G | 75.1 | Confident | 67.7 | Low | 31 Ų | 31 | 86.7 Ų | 86.7 | 32% | 0.32 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -175.8 | 163 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I42 K127 | I42-G44 PolarHBondContact O-N 2.71Å; G44-K127 CarbonylContact C-O 3.5Å; G44-K127 WeakPolarHBondContact CA-O 3.48Å |
| 45 | T | 85.9 | Confident | 70.3 | Confident | 79 Ų | 79 | 79.5 Ų | 79.5 | 49% | 0.485 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 125 | 179.3 | -56.5 | 0 | 0 | 0 | 0 | 109.1 | I47 K127 | T45-I47 PolarHBondContact O-N 2.78Å; T45-K127 PolarHBondContact N-O 2.98Å; T45-K127 PolarHBondContact O-N 2.79Å |
| 46 | I | 89.4 | Confident | 73.1 | Confident | 89 Ų | 89 | 74.4 Ų | 74.4 | 46% | 0.456 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 133.9 | 172.6 | -69.4 | 167.2 | 0 | 0 | 0 | 109.2 | P48 Q124 V126 | I46-P48 WeakPolarHBondContact O-CD 3.23Å; I46-Q124 HydrophobicContact CB-CG 4.45Å; I46-Q124 HydrophobicContact CG1-CG 4.26Å; I46-Q124 VanDerWaalsContact CG2-CD 3.4Å; I46-Q124 HydrophobicContact CG2-CG 3.5Å; I46-Q124 VanDerWaalsContact CG2-CG 3.5Å; I46-V126 HydrophobicContact CG1-CG2 4.4Å |
| 47 | I | 92.9 | Very high | 75.6 | Confident | 48 Ų | 48 | 67.5 Ų | 67.5 | 25% | 0.246 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 110.3 | 172.9 | -54.9 | 172.1 | 0 | 0 | 0 | 107.3 | T45 N49 R50 A125 K127 | T45-I47 PolarHBondContact O-N 2.78Å; I47-N49 PolarHBondContact O-N 3.09Å; I47-R50 HydrophobicContact CB-CB 3.9Å; I47-R50 HydrophobicContact CG2-CB 3.49Å; I47-R50 VanDerWaalsContact CG2-CB 3.49Å; I47-R50 PolarHBondContact O-N 3.42Å; I47-A125 HydrophobicContact CB-CB 4.35Å; I47-A125 PolarHBondContact N-O 2.9Å; I47-K127 HydrophobicContact CD1-CB 3.96Å; I47-K127 HydrophobicContact CG1-CB 3.97Å |
| 48 | P | 90.8 | Very high | 78.4 | Confident | 52 Ų | 52 | 68.4 Ų | 68.4 | 34% | 0.338 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | -45 | -169.7 | 18.6 | -29.8 | 0 | 0 | 0 | 113.6 | I46 R50 Q99 V102 | I46-P48 WeakPolarHBondContact O-CD 3.23Å; P48-R50 PolarHBondContact O-N 3.37Å; P48-Q99 HydrophobicContact CB-CG 3.8Å; P48-Q99 VanDerWaalsContact CB-OE1 3.24Å; P48-V102 WeakPolarHBondContact O-CG1 3.26Å |
| 49 | N | 94.8 | Very high | 81 | Confident | 51 Ų | 51 | 66.5 Ų | 66.5 | 27% | 0.273 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 21 | -174.3 | -53.6 | 14.4 | 0 | 0 | 0 | 112.1 | I47 T95 F96 E97 Q99 | I47-N49 PolarHBondContact O-N 3.09Å; N49-T95 CarbonylContact O-C 3.58Å; N49-T95 WeakPolarHBondContact O-CA 3.49Å; N49-F96 PolarHBondContact O-N 3.09Å; N49-E97 PolarHBondContact ND2-O 3.4Å; N49-E97 VanDerWaalsContact ND2-O 3.08Å; N49-Q99 VanDerWaalsContact OD1-CB 3.27Å; N49-Q99 WeakPolarHBondContact OD1-CB 3.26Å |
| 50 | R | 95.6 | Very high | 83.4 | Confident | 51 Ų | 51 | 60.3 Ų | 60.3 | 19% | 0.192 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 136 | -174.4 | -164.6 | 177 | -166.9 | 164.2 | 6 | 111.6 | I47 P48 F93 V94 T95 A125 | I47-R50 HydrophobicContact CB-CB 3.9Å; I47-R50 HydrophobicContact CG2-CB 3.49Å; I47-R50 VanDerWaalsContact CG2-CB 3.49Å; I47-R50 PolarHBondContact O-N 3.42Å; P48-R50 PolarHBondContact O-N 3.37Å; R50-F93 HydrophobicContact CG-CB 4.14Å; R50-V94 CarbonylContact C-O 3.48Å; R50-V94 VanDerWaalsContact CA-O 3.32Å; R50-V94 WeakPolarHBondContact CA-O 3.32Å; R50-V94 VanDerWaalsContact CG-O 3.31Å; R50-V94 WeakPolarHBondContact CG-O 3.24Å; R50-T95 PolarHBondContact NE-OG1 3.32Å; R50-A125 HydrophobicContact CB-CB 3.76Å; R50-A125 HydrophobicContact CG-CB 3.75Å; R50-A125 WeakPolarHBondContact O-CB 3.23Å; R50-A125 PolarHBondContact O-N 2.82Å |
| 51 | I | 95.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 149.6 | 173.1 | 60.7 | 172.3 | 0 | 0 | 0 | 111.1 | V53 F69 F93 V94 F96 V102 L106 I122 G123 | I51-V53 HydrophobicContact CD1-CG2 3.86Å; I51-V53 HydrophobicContact CG1-CG2 4.05Å; I51-F69 HydrophobicContact CD1-CD1 3.79Å; I51-F69 HydrophobicContact CD1-CE1 3.51Å; I51-F69 HydrophobicContact CD1-CG 4.41Å; I51-F69 HydrophobicContact CD1-CZ 3.93Å; I51-F93 VanDerWaalsContact O-CA 3.24Å; I51-F93 WeakPolarHBondContact O-CA 3.39Å; I51-V94 HydrophobicContact CD1-CB 4.05Å; I51-V94 HydrophobicContact CG1-CB 3.72Å; I51-V94 HydrophobicContact CG1-CG2 4.48Å; I51-V94 PolarHBondContact N-O 2.89Å; I51-V94 PolarHBondContact O-N 2.78Å; I51-V94 VanDerWaalsContact O-N 3.11Å; I51-F96 HydrophobicContact CD1-CE2 3.73Å; I51-F96 HydrophobicContact CD1-CZ 4.23Å; I51-F96 HydrophobicContact CG1-CE2 3.89Å; I51-F96 HydrophobicContact CG2-CE2 4.37Å; I51-V102 HydrophobicContact CG2-CB 4.24Å; I51-V102 HydrophobicContact CG2-CG1 3.57Å; I51-V102 HydrophobicContact CG2-CG2 4.06Å; I51-L106 HydrophobicContact CG2-CD2 4.46Å; I51-L106 HydrophobicContact CG2-CG 4.47Å; I51-I122 HydrophobicContact CB-CG2 4.21Å; I51-I122 HydrophobicContact CD1-CG2 4.04Å; I51-I122 HydrophobicContact CG2-CG2 4.43Å; I51-G123 WeakPolarHBondContact CA-O 3.12Å |
| 52 | F | 95.4 | Very high | 88.4 | Confident | 65 Ų | 65 | 58.7 Ų | 58.7 | 29% | 0.285 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 135.7 | 162.8 | 168.6 | -95.2 | 0 | 0 | 0 | 108.9 | Y91 F93 I122 G123 | F52-Y91 HydrophobicContact CD2-CD2 4.27Å; F52-Y91 AromaticContact CE2-CD2 3.65Å; F52-Y91 HydrophobicContact CE2-CD2 3.65Å; F52-Y91 AromaticContact CE2-CG 3.79Å; F52-Y91 HydrophobicContact CE2-CG 3.79Å; F52-Y91 HydrophobicContact CZ-CG 4.37Å; F52-F93 HydrophobicContact CB-CD1 4.31Å; F52-F93 HydrophobicContact CB-CE1 4.25Å; F52-F93 HydrophobicContact CD2-CD1 4.46Å; F52-F93 AromaticContact CD2-CE1 3.95Å; F52-F93 HydrophobicContact CD2-CE1 3.95Å; F52-F93 HydrophobicContact CD2-CZ 4.34Å; F52-I122 WeakPolarHBondContact O-CA 3.17Å; F52-G123 PolarHBondContact N-O 3.26Å; F52-G123 PolarHBondContact O-N 2.8Å |
| 53 | V | 95.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 111.2 | 175.2 | -174 | 0 | 0 | 0 | 0 | 108.1 | I51 I56 L65 F69 Y91 G92 V94 L120 C121 | I51-V53 HydrophobicContact CD1-CG2 3.86Å; I51-V53 HydrophobicContact CG1-CG2 4.05Å; V53-I56 HydrophobicContact CB-CD1 4.27Å; V53-I56 HydrophobicContact CG1-CD1 4.06Å; V53-I56 HydrophobicContact CG1-CG1 3.99Å; V53-I56 WeakPolarHBondContact O-CD1 3.49Å; V53-L65 HydrophobicContact CG1-CD2 4.32Å; V53-F69 HydrophobicContact CG1-CE2 4.13Å; V53-F69 HydrophobicContact CG1-CZ 4.23Å; V53-F69 HydrophobicContact CG2-CE2 3.76Å; V53-F69 HydrophobicContact CG2-CZ 3.76Å; V53-Y91 CarbonylContact O-C 3.47Å; V53-Y91 WeakPolarHBondContact O-CA 3.48Å; V53-Y91 WeakPolarHBondContact O-CB 3.42Å; V53-G92 PolarHBondContact N-O 3.35Å; V53-G92 PolarHBondContact O-N 3.48Å; V53-V94 HydrophobicContact CG2-CG2 3.93Å; V53-L120 HydrophobicContact CG1-CB 4.14Å; V53-L120 HydrophobicContact CG1-CD1 4.08Å; V53-L120 HydrophobicContact CG1-CD2 4.38Å; V53-L120 HydrophobicContact CG1-CG 4.44Å; V53-C121 CarbonylContact C-O 3.56Å; V53-C121 WeakPolarHBondContact CA-O 3.37Å |
| 54 | G | 94.2 | Very high | 92.2 | Very high | 5 Ų | 5 | 52.9 Ų | 52.9 | 5% | 0.052 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 169.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | I56 L120 C121 | G54-I56 VanDerWaalsContact C-N 3.29Å; G54-I56 PolarHBondContact O-N 3.34Å; G54-L120 WeakPolarHBondContact O-CA 3.45Å; G54-C121 PolarHBondContact N-O 2.77Å; G54-C121 PolarHBondContact O-N 2.84Å |
| 55 | G | 92.4 | Very high | 93.2 | Very high | 36 Ų | 36 | 51.4 Ų | 51.4 | 37% | 0.371 | 27% | 0.274 | S | S | . | . | S | Bend | trans | 76.2 | 17.3 | 178 | 0 | 0 | 0 | 0 | 0 | 114.1 | R90 | G55-R90 PolarHBondContact N-O 3.21Å; G55-R90 VanDerWaalsContact N-O 3.1Å |
| 56 | I | 94 | Very high | 93.7 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | trans | -69.5 | 132.5 | -176.8 | -57.1 | 172 | 0 | 0 | 0 | 109.7 | V53 G54 V60 L65 R90 L120 | V53-I56 HydrophobicContact CB-CD1 4.27Å; V53-I56 HydrophobicContact CG1-CD1 4.06Å; V53-I56 HydrophobicContact CG1-CG1 3.99Å; V53-I56 WeakPolarHBondContact O-CD1 3.49Å; G54-I56 VanDerWaalsContact C-N 3.29Å; G54-I56 PolarHBondContact O-N 3.34Å; I56-V60 HydrophobicContact CG2-CB 3.5Å; I56-V60 HydrophobicContact CG2-CG1 3.76Å; I56-V60 HydrophobicContact CG2-CG2 4.05Å; I56-L65 HydrophobicContact CD1-CD1 3.83Å; I56-L65 HydrophobicContact CD1-CD2 4.5Å; I56-R90 PolarHBondContact N-O 3.36Å; I56-R90 VanDerWaalsContact O-CB 3.28Å; I56-R90 WeakPolarHBondContact O-CB 3.21Å; I56-L120 HydrophobicContact CG1-CD2 4.13Å | ||
| 57 | D | 92.9 | Very high | 93.9 | Very high | 16 Ų | 16 | 54.2 Ų | 54.2 | 9% | 0.086 | 28% | 0.28 | C | S | . | . | trans | -71.8 | 153 | 174.1 | -153.6 | -1.1 | 0 | 0 | 0 | 111.9 | R59 V60 K118 | D57-R59 PolarHBondContact O-N 3.18Å; D57-R59 VanDerWaalsContact O-N 3.09Å; D57-V60 HydrophobicContact CB-CG2 3.83Å; D57-V60 WeakPolarHBondContact O-CB 3.41Å; D57-V60 PolarHBondContact O-N 3.25Å; D57-K118 HydrophobicContact CB-CD 3.92Å; D57-K118 IonicContact OD1-NZ 2.65Å; D57-K118 PolarHBondContact OD1-NZ 2.93Å; D57-K118 IonicContact OD2-NZ 2.77Å; D57-K118 PolarHBondContact OD2-NZ 3.19Å | ||
| 58 | H | 89.9 | Confident | 94 | Very high | 131 Ų | 131 | 53 Ų | 53 | 61% | 0.606 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -20.3 | 176.7 | 72.1 | -73.4 | 0 | 0 | 0 | 113.8 | ||
| 59 | R | 90.1 | Very high | 94.1 | Very high | 164 Ų | 164 | 50.5 Ų | 50.5 | 62% | 0.619 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -5 | 178.2 | -54.8 | 176.5 | 67.3 | -168.1 | 1.8 | 112.9 | D57 K116 | D57-R59 PolarHBondContact O-N 3.18Å; D57-R59 VanDerWaalsContact O-N 3.09Å; R59-K116 HydrophobicContact CB-CD 4.34Å; R59-K116 PolarHBondContact O-NZ 3.3Å |
| 60 | V | 91.4 | Very high | 94.1 | Very high | 7 Ų | 7 | 50.5 Ų | 50.5 | 4% | 0.042 | 26% | 0.262 | C | S | . | . | trans | -90.3 | 128.2 | -177.9 | -177.9 | 0 | 0 | 0 | 0 | 108.7 | I56 D57 D64 L65 I80 F115 K116 | I56-V60 HydrophobicContact CG2-CB 3.5Å; I56-V60 HydrophobicContact CG2-CG1 3.76Å; I56-V60 HydrophobicContact CG2-CG2 4.05Å; D57-V60 HydrophobicContact CB-CG2 3.83Å; D57-V60 WeakPolarHBondContact O-CB 3.41Å; D57-V60 PolarHBondContact O-N 3.25Å; V60-D64 WeakPolarHBondContact CA-OD2 3.34Å; V60-D64 HydrophobicContact CG1-CB 3.84Å; V60-L65 HydrophobicContact CG1-CD2 3.94Å; V60-L65 HydrophobicContact CG1-CG 3.93Å; V60-I80 WeakPolarHBondContact O-CD1 3.44Å; V60-F115 HydrophobicContact CB-CD1 4.43Å; V60-F115 HydrophobicContact CB-CE1 4.35Å; V60-F115 HydrophobicContact CG1-CD1 4.03Å; V60-F115 HydrophobicContact CG1-CE1 3.96Å; V60-F115 HydrophobicContact CG2-CD1 3.56Å; V60-F115 HydrophobicContact CG2-CE1 3.76Å; V60-K116 HydrophobicContact CG2-CD 4.06Å | ||
| 61 | N | 94.2 | Very high | 94 | Very high | 107 Ų | 107 | 54.6 Ų | 54.6 | 57% | 0.572 | 28% | 0.283 | S | S | * | . | trans | -103.5 | 169.7 | 177.1 | -66.1 | -18.9 | 0 | 0 | 0 | 111.1 | G63 D64 L65 | N61-G63 PolarHBondContact O-N 3.2Å; N61-D64 PolarHBondContact N-OD2 3.31Å; N61-D64 WeakPolarHBondContact O-CB 3.38Å; N61-D64 PolarHBondContact O-N 3.37Å; N61-D64 VanDerWaalsContact O-N 3.13Å; N61-L65 PolarHBondContact O-N 2.62Å | ||
| 62 | E | 95.5 | Very high | 93.8 | Very high | 89 Ų | 89 | 57.6 Ų | 57.6 | 42% | 0.416 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.3 | -35.1 | 177.3 | -68.2 | 166.7 | 160.1 | 0 | 0 | 111.9 | D64 L65 H66 V78 K79 I80 | E62-D64 PolarHBondContact O-N 2.83Å; E62-L65 PolarHBondContact O-N 3.2Å; E62-H66 WeakPolarHBondContact O-CB 3.26Å; E62-H66 PolarHBondContact O-N 3.42Å; E62-V78 HydrophobicContact CB-CB 4.28Å; E62-V78 HydrophobicContact CB-CG1 3.93Å; E62-V78 HydrophobicContact CG-CG1 4.16Å; E62-K79 WeakPolarHBondContact OE1-CA 3.13Å; E62-I80 HydrophobicContact CG-CB 4.11Å; E62-I80 HydrophobicContact CG-CD1 3.89Å; E62-I80 HydrophobicContact CG-CG1 3.73Å; E62-I80 PolarHBondContact OE1-N 3.4Å |
| 63 | G | 96 | Very high | 93.7 | Very high | 50 Ų | 50 | 55.1 Ų | 55.1 | 52% | 0.515 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.9 | -37.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | N61 H66 Q67 | N61-G63 PolarHBondContact O-N 3.2Å; G63-H66 WeakPolarHBondContact O-CB 3.31Å; G63-H66 PolarHBondContact O-N 2.77Å; G63-Q67 PolarHBondContact O-N 2.65Å |
| 64 | D | 94.8 | Very high | 93.7 | Very high | 38 Ų | 38 | 57.2 Ų | 57.2 | 20% | 0.203 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.6 | -47.7 | 176.1 | -67.2 | -21.3 | 0 | 0 | 0 | 110.1 | V60 N61 E62 H66 Q67 I68 F115 K116 | V60-D64 WeakPolarHBondContact CA-OD2 3.34Å; V60-D64 HydrophobicContact CG1-CB 3.84Å; N61-D64 PolarHBondContact N-OD2 3.31Å; N61-D64 WeakPolarHBondContact O-CB 3.38Å; N61-D64 PolarHBondContact O-N 3.37Å; N61-D64 VanDerWaalsContact O-N 3.13Å; E62-D64 PolarHBondContact O-N 2.83Å; D64-H66 VanDerWaalsContact C-N 3.32Å; D64-H66 PolarHBondContact O-N 3.02Å; D64-Q67 PolarHBondContact O-N 3.25Å; D64-I68 VanDerWaalsContact O-CD1 3.32Å; D64-I68 WeakPolarHBondContact O-CD1 3.31Å; D64-I68 WeakPolarHBondContact O-CG1 3.39Å; D64-I68 PolarHBondContact O-N 3.47Å; D64-F115 HydrophobicContact CB-CE1 3.63Å; D64-F115 HydrophobicContact CB-CZ 3.68Å; D64-F115 WeakPolarHBondContact OD2-CE1 3.06Å; D64-K116 IonicContact OD2-NZ 3.87Å; D64-K116 PolarHBondContact OD2-NZ 3.13Å |
| 65 | L | 95.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.5 | -41.8 | 177 | -64.9 | 176.1 | 0 | 0 | 0 | 111.1 | V53 I56 V60 N61 E62 Q67 I68 F69 V78 I80 L120 | V53-L65 HydrophobicContact CG1-CD2 4.32Å; I56-L65 HydrophobicContact CD1-CD1 3.83Å; I56-L65 HydrophobicContact CD1-CD2 4.5Å; V60-L65 HydrophobicContact CG1-CD2 3.94Å; V60-L65 HydrophobicContact CG1-CG 3.93Å; N61-L65 PolarHBondContact O-N 2.62Å; E62-L65 PolarHBondContact O-N 3.2Å; L65-Q67 VanDerWaalsContact C-N 3.32Å; L65-Q67 PolarHBondContact O-N 3.42Å; L65-I68 PolarHBondContact O-N 3.26Å; L65-F69 HydrophobicContact CB-CD2 4.39Å; L65-F69 HydrophobicContact CD2-CE2 4.23Å; L65-F69 WeakPolarHBondContact O-CB 3.49Å; L65-F69 WeakPolarHBondContact O-CD2 3.44Å; L65-F69 PolarHBondContact O-N 2.85Å; L65-V78 HydrophobicContact CB-CG1 3.83Å; L65-V78 HydrophobicContact CD1-CG1 3.98Å; L65-I80 HydrophobicContact CD1-CD1 3.91Å; L65-I80 HydrophobicContact CD1-CG1 3.8Å; L65-L120 HydrophobicContact CD2-CD1 4.16Å |
| 66 | H | 96.6 | Very high | 94.1 | Very high | 80 Ų | 80 | 63.4 Ų | 63.4 | 37% | 0.37 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -56.1 | -49.7 | 175.6 | -174.3 | -74.8 | 0 | 0 | 0 | 110.7 | E62 G63 D64 I68 F69 S70 V75 V78 | E62-H66 WeakPolarHBondContact O-CB 3.26Å; E62-H66 PolarHBondContact O-N 3.42Å; G63-H66 WeakPolarHBondContact O-CB 3.31Å; G63-H66 PolarHBondContact O-N 2.77Å; D64-H66 VanDerWaalsContact C-N 3.32Å; D64-H66 PolarHBondContact O-N 3.02Å; H66-I68 PolarHBondContact O-N 3.28Å; H66-F69 PolarHBondContact O-N 2.76Å; H66-S70 PolarHBondContact CE1-OG 2.98Å; H66-S70 VanDerWaalsContact CE1-OG 3.3Å; H66-S70 PolarHBondContact ND1-OG 3.37Å; H66-S70 VanDerWaalsContact O-CB 3.3Å; H66-S70 WeakPolarHBondContact O-CB 3.31Å; H66-S70 PolarHBondContact O-N 2.81Å; H66-S70 PolarHBondContact O-OG 3.39Å; H66-V75 VanDerWaalsContact CD2-CG1 3.49Å; H66-V75 WeakPolarHBondContact CD2-CG1 3.29Å; H66-V78 HydrophobicContact CB-CG2 3.95Å |
| 67 | Q | 95.2 | Very high | 94.3 | Very high | 148 Ų | 148 | 67.2 Ų | 67.2 | 69% | 0.692 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -61.6 | -45.3 | -179.8 | -175 | 175.6 | -2.8 | 0 | 0 | 112.3 | G63 D64 L65 F69 S70 | G63-Q67 PolarHBondContact O-N 2.65Å; D64-Q67 PolarHBondContact O-N 3.25Å; L65-Q67 VanDerWaalsContact C-N 3.32Å; L65-Q67 PolarHBondContact O-N 3.42Å; Q67-F69 PolarHBondContact O-N 3.07Å; Q67-S70 PolarHBondContact O-N 2.85Å |
| 68 | I | 93 | Very high | 94.5 | Very high | 21 Ų | 21 | 67.1 Ų | 67.1 | 11% | 0.108 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.4 | -44.8 | 178.9 | -63.7 | 157.8 | 0 | 0 | 0 | 110.7 | D64 L65 H66 Q71 I113 F115 | D64-I68 VanDerWaalsContact O-CD1 3.32Å; D64-I68 WeakPolarHBondContact O-CD1 3.31Å; D64-I68 WeakPolarHBondContact O-CG1 3.39Å; D64-I68 PolarHBondContact O-N 3.47Å; L65-I68 PolarHBondContact O-N 3.26Å; H66-I68 PolarHBondContact O-N 3.28Å; I68-Q71 WeakPolarHBondContact O-CG 3.39Å; I68-I113 HydrophobicContact CG2-CG2 3.52Å; I68-F115 HydrophobicContact CD1-CB 3.81Å; I68-F115 HydrophobicContact CD1-CD1 3.91Å; I68-F115 HydrophobicContact CD1-CD2 3.4Å; I68-F115 VanDerWaalsContact CD1-CD2 3.4Å; I68-F115 HydrophobicContact CD1-CE1 4.29Å; I68-F115 HydrophobicContact CD1-CE2 3.85Å; I68-F115 HydrophobicContact CD1-CG 3.43Å; I68-F115 VanDerWaalsContact CD1-CG 3.43Å; I68-F115 HydrophobicContact CD1-CZ 4.27Å; I68-F115 HydrophobicContact CG1-CD2 4.03Å; I68-F115 HydrophobicContact CG1-CE2 4.3Å |
| 69 | F | 94.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -82.1 | -18.2 | -174.9 | -75.2 | -70.8 | 0 | 0 | 0 | 113.6 | I51 V53 L65 H66 Q67 Q71 Y72 G73 V75 V94 F96 I105 I113 L120 I122 | I51-F69 HydrophobicContact CD1-CD1 3.79Å; I51-F69 HydrophobicContact CD1-CE1 3.51Å; I51-F69 HydrophobicContact CD1-CG 4.41Å; I51-F69 HydrophobicContact CD1-CZ 3.93Å; V53-F69 HydrophobicContact CG1-CE2 4.13Å; V53-F69 HydrophobicContact CG1-CZ 4.23Å; V53-F69 HydrophobicContact CG2-CE2 3.76Å; V53-F69 HydrophobicContact CG2-CZ 3.76Å; L65-F69 HydrophobicContact CB-CD2 4.39Å; L65-F69 HydrophobicContact CD2-CE2 4.23Å; L65-F69 WeakPolarHBondContact O-CB 3.49Å; L65-F69 WeakPolarHBondContact O-CD2 3.44Å; L65-F69 PolarHBondContact O-N 2.85Å; H66-F69 PolarHBondContact O-N 2.76Å; Q67-F69 PolarHBondContact O-N 3.07Å; F69-Q71 PolarHBondContact O-N 3.25Å; F69-Y72 HydrophobicContact CD1-CD2 4.18Å; F69-Y72 PolarHBondContact O-N 3.03Å; F69-G73 PolarHBondContact O-N 2.71Å; F69-V75 HydrophobicContact CB-CG2 3.94Å; F69-V94 HydrophobicContact CB-CG1 4.08Å; F69-V94 HydrophobicContact CD2-CG2 3.77Å; F69-V94 HydrophobicContact CE2-CG2 4.15Å; F69-V94 HydrophobicContact CG-CG1 4.34Å; F69-V94 HydrophobicContact CG-CG2 4.35Å; F69-F96 HydrophobicContact CB-CE1 4.29Å; F69-F96 HydrophobicContact CB-CZ 3.91Å; F69-F96 HydrophobicContact CD1-CZ 4.1Å; F69-F96 HydrophobicContact CG-CZ 4.31Å; F69-I105 HydrophobicContact CD1-CD1 4.5Å; F69-I113 HydrophobicContact CD1-CD1 4.35Å; F69-I113 HydrophobicContact CE1-CD1 3.64Å; F69-I113 HydrophobicContact CZ-CD1 4.18Å; F69-L120 HydrophobicContact CE2-CD1 4.45Å; F69-I122 HydrophobicContact CE1-CD1 4.02Å; F69-I122 HydrophobicContact CZ-CD1 4.18Å; F69-I122 HydrophobicContact CZ-CG1 4.37Å |
| 70 | S | 94.9 | Very high | 95.1 | Very high | 52 Ų | 52 | 59.1 Ų | 59.1 | 36% | 0.364 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.6 | -23.9 | 174.8 | -66.6 | 0 | 0 | 0 | 0 | 113.2 | H66 Q67 Y72 G73 | H66-S70 PolarHBondContact CE1-OG 2.98Å; H66-S70 VanDerWaalsContact CE1-OG 3.3Å; H66-S70 PolarHBondContact ND1-OG 3.37Å; H66-S70 VanDerWaalsContact O-CB 3.3Å; H66-S70 WeakPolarHBondContact O-CB 3.31Å; H66-S70 PolarHBondContact O-N 2.81Å; H66-S70 PolarHBondContact O-OG 3.39Å; Q67-S70 PolarHBondContact O-N 2.85Å; S70-Y72 PolarHBondContact O-N 3.14Å; S70-G73 WeakPolarHBondContact CA-O 3.32Å |
| 71 | Q | 92.5 | Very high | 95.2 | Very high | 136 Ų | 136 | 60.5 Ų | 60.5 | 64% | 0.636 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -17.1 | 176.5 | 80.1 | -164.7 | 16.8 | 0 | 0 | 113.2 | I68 F69 | I68-Q71 WeakPolarHBondContact O-CG 3.39Å; F69-Q71 PolarHBondContact O-N 3.25Å |
| 72 | Y | 91.1 | Very high | 95.2 | Very high | 63 Ų | 63 | 60.1 Ų | 60.1 | 25% | 0.247 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -20.7 | -179.4 | -59.6 | -83 | 0 | 0 | 0 | 113 | F69 S70 R104 I105 T111 I113 | F69-Y72 HydrophobicContact CD1-CD2 4.18Å; F69-Y72 PolarHBondContact O-N 3.03Å; S70-Y72 PolarHBondContact O-N 3.14Å; Y72-R104 PolarHBondContact O-NH2 3Å; Y72-I105 HydrophobicContact CD1-CG1 4.16Å; Y72-I105 HydrophobicContact CG-CD1 4.2Å; Y72-I105 HydrophobicContact CG-CG1 4.01Å; Y72-T111 HydrophobicContact CE1-CG2 3.74Å; Y72-I113 HydrophobicContact CD2-CD1 4.27Å; Y72-I113 HydrophobicContact CE1-CD1 4.43Å; Y72-I113 HydrophobicContact CE2-CD1 3.41Å; Y72-I113 VanDerWaalsContact CE2-CD1 3.41Å; Y72-I113 HydrophobicContact CE2-CG1 4.4Å; Y72-I113 VanDerWaalsContact CZ-CD1 3.49Å; Y72-I113 WeakPolarHBondContact OH-CD1 3.32Å |
| 73 | G | 93.7 | Very high | 95 | Very high | 14 Ų | 14 | 59.2 Ų | 59.2 | 14% | 0.144 | 31% | 0.312 | C | S | . | . | S | Bend | trans | 175.1 | 173.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F69 S70 V75 D101 | F69-G73 PolarHBondContact O-N 2.71Å; S70-G73 WeakPolarHBondContact CA-O 3.32Å; G73-V75 PolarHBondContact O-N 3.25Å; G73-D101 WeakPolarHBondContact CA-OD2 3.49Å |
| 74 | A | 96.4 | Very high | 95 | Very high | 43 Ų | 43 | 68.8 Ų | 68.8 | 36% | 0.355 | 33% | 0.333 | S | S | . | . | trans | -73 | 112.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | F96 E97 | A74-F96 CarbonylContact O-C 3.51Å; A74-F96 VanDerWaalsContact O-CA 3.31Å; A74-F96 WeakPolarHBondContact O-CA 3.24Å; A74-E97 HydrophobicContact CB-CB 4.16Å; A74-E97 HydrophobicContact CB-CG 3.91Å; A74-E97 PolarHBondContact O-N 3.43Å | ||
| 75 | V | 97.4 | Very high | 94.8 | Very high | 18 Ų | 18 | 71.6 Ų | 71.6 | 11% | 0.109 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 124.5 | 179.9 | 179.7 | 0 | 0 | 0 | 0 | 109.5 | H66 F69 G73 V78 V94 F96 | H66-V75 VanDerWaalsContact CD2-CG1 3.49Å; H66-V75 WeakPolarHBondContact CD2-CG1 3.29Å; F69-V75 HydrophobicContact CB-CG2 3.94Å; G73-V75 PolarHBondContact O-N 3.25Å; V75-V78 HydrophobicContact CG1-CG2 3.56Å; V75-V94 HydrophobicContact CG1-CG1 3.8Å; V75-V94 HydrophobicContact CG2-CG1 4.17Å; V75-F96 HydrophobicContact CG2-CD1 4.12Å; V75-F96 HydrophobicContact CG2-CE1 3.76Å; V75-F96 HydrophobicContact CG2-CZ 4.44Å |
| 76 | K | 97 | Very high | 94.5 | Very high | 153 Ų | 153 | 74.3 Ų | 74.3 | 67% | 0.665 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -42.2 | 178.7 | -179.4 | 174.9 | -178.9 | 170.4 | 0 | 112.8 | T95 E97 | K76-T95 PolarHBondContact N-O 2.96Å; K76-E97 HydrophobicContact CB-CG 4.2Å |
| 77 | D | 97.1 | Very high | 94.2 | Very high | 82 Ų | 82 | 76.2 Ų | 76.2 | 44% | 0.439 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 145.5 | -175.5 | -176.8 | 37.3 | 0 | 0 | 0 | 110.9 | T95 | D77-T95 PolarHBondContact N-O 3.33Å; D77-T95 PolarHBondContact O-N 3.11Å |
| 78 | V | 97.6 | Very high | 94 | Very high | 14 Ų | 14 | 70.8 Ų | 70.8 | 9% | 0.085 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 130.9 | 176.5 | -178.9 | 0 | 0 | 0 | 0 | 108.5 | E62 L65 H66 V75 V94 | E62-V78 HydrophobicContact CB-CB 4.28Å; E62-V78 HydrophobicContact CB-CG1 3.93Å; E62-V78 HydrophobicContact CG-CG1 4.16Å; L65-V78 HydrophobicContact CB-CG1 3.83Å; L65-V78 HydrophobicContact CD1-CG1 3.98Å; H66-V78 HydrophobicContact CB-CG2 3.95Å; V75-V78 HydrophobicContact CG1-CG2 3.56Å; V78-V94 HydrophobicContact CG1-CG2 4.23Å; V78-V94 HydrophobicContact CG2-CG1 4.23Å; V78-V94 HydrophobicContact CG2-CG2 4.26Å |
| 79 | K | 96.1 | Very high | 94 | Very high | 110 Ų | 110 | 74.2 Ų | 74.2 | 48% | 0.478 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 118.5 | -179.8 | -173.2 | 171.4 | -175 | 163.9 | 0 | 111.8 | E62 I81 G92 F93 | E62-K79 WeakPolarHBondContact OE1-CA 3.13Å; K79-I81 HydrophobicContact CD-CD1 4.26Å; K79-I81 HydrophobicContact CG-CD1 4.13Å; K79-G92 CarbonylContact O-C 3.6Å; K79-G92 WeakPolarHBondContact O-CA 3.48Å; K79-F93 PolarHBondContact N-O 2.91Å; K79-F93 PolarHBondContact O-N 3.4Å |
| 80 | I | 95.9 | Very high | 94 | Very high | 17 Ų | 17 | 81.3 Ų | 81.3 | 9% | 0.087 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 133.2 | 169.8 | -66.8 | 175 | 0 | 0 | 0 | 108.8 | V60 E62 L65 I82 | V60-I80 WeakPolarHBondContact O-CD1 3.44Å; E62-I80 HydrophobicContact CG-CB 4.11Å; E62-I80 HydrophobicContact CG-CD1 3.89Å; E62-I80 HydrophobicContact CG-CG1 3.73Å; E62-I80 PolarHBondContact OE1-N 3.4Å; L65-I80 HydrophobicContact CD1-CD1 3.91Å; L65-I80 HydrophobicContact CD1-CG1 3.8Å; I80-I82 PolarHBondContact O-N 3.34Å |
| 81 | I | 94.8 | Very high | 94 | Very high | 36 Ų | 36 | 82.2 Ų | 82.2 | 19% | 0.185 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 118.6 | -179.6 | -55.7 | -54.6 | 0 | 0 | 0 | 109.7 | K79 K89 Y91 F93 | K79-I81 HydrophobicContact CD-CD1 4.26Å; K79-I81 HydrophobicContact CG-CD1 4.13Å; I81-K89 HydrophobicContact CG2-CD 3.95Å; I81-K89 HydrophobicContact CG2-CG 4.34Å; I81-K89 WeakPolarHBondContact O-CB 3.3Å; I81-K89 PolarHBondContact O-N 2.87Å; I81-Y91 HydrophobicContact CB-CD2 4.2Å; I81-Y91 HydrophobicContact CB-CE2 3.7Å; I81-Y91 HydrophobicContact CG1-CD2 3.97Å; I81-Y91 HydrophobicContact CG1-CE2 3.46Å; I81-Y91 VanDerWaalsContact CG1-CE2 3.46Å; I81-Y91 HydrophobicContact CG2-CE2 4.16Å; I81-Y91 PolarHBondContact N-O 2.97Å; I81-F93 HydrophobicContact CD1-CD2 4.16Å; I81-F93 HydrophobicContact CD1-CE2 4.11Å; I81-F93 HydrophobicContact CG1-CD2 4.08Å; I81-F93 HydrophobicContact CG1-CE2 3.82Å |
| 82 | I | 93.7 | Very high | 94.2 | Very high | 99 Ų | 99 | 75.8 Ų | 75.8 | 51% | 0.508 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 140.9 | 177 | -53.8 | 176.6 | 0 | 0 | 0 | 108.4 | I80 G86 | I80-I82 PolarHBondContact O-N 3.34Å; I82-G86 VanDerWaalsContact CG2-O 3.32Å; I82-G86 WeakPolarHBondContact CG2-O 3.42Å |
| 83 | D | 92.5 | Very high | 94.4 | Very high | 69 Ų | 69 | 74.7 Ų | 74.7 | 37% | 0.369 | 38% | 0.377 | S | S | . | . | trans | -75.9 | 168.5 | 174.3 | -158.2 | 30.8 | 0 | 0 | 0 | 112.3 | S85 G86 I87 K89 | D83-S85 PolarHBondContact O-N 3.49Å; D83-S85 VanDerWaalsContact O-N 3.14Å; D83-G86 PolarHBondContact O-N 3.27Å; D83-I87 PolarHBondContact N-O 2.88Å; D83-K89 VanDerWaalsContact CB-CE 3.41Å; D83-K89 HydrophobicContact CB-CG 4.27Å; D83-K89 VanDerWaalsContact CG-CE 3.46Å; D83-K89 WeakPolarHBondContact OD1-CE 3.2Å; D83-K89 IonicContact OD1-NZ 3.62Å; D83-K89 PolarHBondContact OD1-NZ 3.05Å | ||
| 84 | R | 94.1 | Very high | 94.6 | Very high | 251 Ų | 251 | 74 Ų | 74 | 95% | 0.947 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -25.6 | 179.6 | -63.8 | -177.7 | -178.4 | -173.2 | -1.1 | 113.3 | G86 | R84-G86 PolarHBondContact O-N 3.48Š|
| 85 | S | 91.7 | Very high | 94.6 | Very high | 97 Ų | 97 | 73.1 Ų | 73.1 | 68% | 0.678 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | 2.6 | 175.3 | -48.1 | 0 | 0 | 0 | 0 | 113.7 | D83 I87 | D83-S85 PolarHBondContact O-N 3.49Å; D83-S85 VanDerWaalsContact O-N 3.14Å; S85-I87 VanDerWaalsContact C-N 3.3Å; S85-I87 PolarHBondContact O-N 3.42Å |
| 86 | G | 89.6 | Confident | 94.6 | Very high | 58 Ų | 58 | 72.3 Ų | 72.3 | 60% | 0.598 | 36% | 0.355 | S | S | * | . | S | Bend | trans | 81.5 | 3.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | I82 D83 R84 | I82-G86 VanDerWaalsContact CG2-O 3.32Å; I82-G86 WeakPolarHBondContact CG2-O 3.42Å; D83-G86 PolarHBondContact O-N 3.27Å; R84-G86 PolarHBondContact O-N 3.48Å |
| 87 | I | 89 | Confident | 94.6 | Very high | 120 Ų | 120 | 70.6 Ų | 70.6 | 62% | 0.615 | 35% | 0.35 | S | S | * | . | trans | -91.3 | 129.2 | -178.8 | -58.1 | 173.5 | 0 | 0 | 0 | 110 | D83 S85 K89 | D83-I87 PolarHBondContact N-O 2.88Å; S85-I87 VanDerWaalsContact C-N 3.3Å; S85-I87 PolarHBondContact O-N 3.42Å; I87-K89 PolarHBondContact O-N 3.43Å | ||
| 88 | S | 91.7 | Very high | 94.4 | Very high | 34 Ų | 34 | 70.7 Ų | 70.7 | 24% | 0.238 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 134.2 | 174.9 | 175.7 | 0 | 0 | 0 | 0 | 111.3 | R90 | S88-R90 PolarHBondContact O-N 3.46Å; S88-R90 PolarHBondContact OG-N 3.37Å; S88-R90 VanDerWaalsContact OG-N 3.12Å |
| 89 | K | 92.8 | Very high | 94.2 | Very high | 93 Ų | 93 | 74 Ų | 74 | 40% | 0.404 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 5 | 174.1 | -59.6 | -165.1 | 177.7 | -175.4 | 0 | 113 | I81 D83 I87 Y91 | I81-K89 HydrophobicContact CG2-CD 3.95Å; I81-K89 HydrophobicContact CG2-CG 4.34Å; I81-K89 WeakPolarHBondContact O-CB 3.3Å; I81-K89 PolarHBondContact O-N 2.87Å; D83-K89 VanDerWaalsContact CB-CE 3.41Å; D83-K89 HydrophobicContact CB-CG 4.27Å; D83-K89 VanDerWaalsContact CG-CE 3.46Å; D83-K89 WeakPolarHBondContact OD1-CE 3.2Å; D83-K89 IonicContact OD1-NZ 3.62Å; D83-K89 PolarHBondContact OD1-NZ 3.05Å; I87-K89 PolarHBondContact O-N 3.43Å; K89-Y91 HydrophobicContact CB-CD1 3.58Å; K89-Y91 HydrophobicContact CB-CE1 3.3Å; K89-Y91 HydrophobicContact CD-CE1 3.86Å; K89-Y91 HydrophobicContact CG-CE1 4.17Å; K89-Y91 VanDerWaalsContact O-CD1 3.32Å; K89-Y91 WeakPolarHBondContact O-CD1 3.31Å; K89-Y91 PolarHBondContact O-N 2.91Å |
| 90 | R | 94.1 | Very high | 94.1 | Very high | 148 Ų | 148 | 73.9 Ų | 73.9 | 56% | 0.558 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 60.5 | 25.8 | 178.9 | -56.5 | -176.4 | -178.5 | 172.3 | -0.9 | 113.5 | G55 I56 S88 | G55-R90 PolarHBondContact N-O 3.21Å; G55-R90 VanDerWaalsContact N-O 3.1Å; I56-R90 PolarHBondContact N-O 3.36Å; I56-R90 VanDerWaalsContact O-CB 3.28Å; I56-R90 WeakPolarHBondContact O-CB 3.21Å; S88-R90 PolarHBondContact O-N 3.46Å; S88-R90 PolarHBondContact OG-N 3.37Å; S88-R90 VanDerWaalsContact OG-N 3.12Å |
| 91 | Y | 95.4 | Very high | 93.9 | Very high | 72 Ų | 72 | 73.6 Ų | 73.6 | 28% | 0.282 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 158.9 | 168.3 | 72.5 | -93.4 | 0 | 0 | 0 | 110.4 | F52 V53 I81 K89 F93 | F52-Y91 HydrophobicContact CD2-CD2 4.27Å; F52-Y91 AromaticContact CE2-CD2 3.65Å; F52-Y91 HydrophobicContact CE2-CD2 3.65Å; F52-Y91 AromaticContact CE2-CG 3.79Å; F52-Y91 HydrophobicContact CE2-CG 3.79Å; F52-Y91 HydrophobicContact CZ-CG 4.37Å; V53-Y91 CarbonylContact O-C 3.47Å; V53-Y91 WeakPolarHBondContact O-CA 3.48Å; V53-Y91 WeakPolarHBondContact O-CB 3.42Å; I81-Y91 HydrophobicContact CB-CD2 4.2Å; I81-Y91 HydrophobicContact CB-CE2 3.7Å; I81-Y91 HydrophobicContact CG1-CD2 3.97Å; I81-Y91 HydrophobicContact CG1-CE2 3.46Å; I81-Y91 VanDerWaalsContact CG1-CE2 3.46Å; I81-Y91 HydrophobicContact CG2-CE2 4.16Å; I81-Y91 PolarHBondContact N-O 2.97Å; K89-Y91 HydrophobicContact CB-CD1 3.58Å; K89-Y91 HydrophobicContact CB-CE1 3.3Å; K89-Y91 HydrophobicContact CD-CE1 3.86Å; K89-Y91 HydrophobicContact CG-CE1 4.17Å; K89-Y91 VanDerWaalsContact O-CD1 3.32Å; K89-Y91 WeakPolarHBondContact O-CD1 3.31Å; K89-Y91 PolarHBondContact O-N 2.91Å; Y91-F93 HydrophobicContact CD2-CE2 4.26Å; Y91-F93 HydrophobicContact CD2-CZ 4.49Å; Y91-F93 AromaticContact CE2-CE2 3.97Å; Y91-F93 HydrophobicContact CE2-CE2 3.97Å; Y91-F93 HydrophobicContact CE2-CZ 4.24Å |
| 92 | G | 95.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | -175.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | V53 K79 | V53-G92 PolarHBondContact N-O 3.35Å; V53-G92 PolarHBondContact O-N 3.48Å; K79-G92 CarbonylContact O-C 3.6Å; K79-G92 WeakPolarHBondContact O-CA 3.48Å |
| 93 | F | 96.9 | Very high | 93.7 | Very high | 40 Ų | 40 | 71 Ų | 71 | 18% | 0.175 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 140.5 | 176.8 | -56.3 | -90.6 | 0 | 0 | 0 | 110.3 | R50 I51 F52 K79 I81 Y91 A125 | R50-F93 HydrophobicContact CG-CB 4.14Å; I51-F93 VanDerWaalsContact O-CA 3.24Å; I51-F93 WeakPolarHBondContact O-CA 3.39Å; F52-F93 HydrophobicContact CB-CD1 4.31Å; F52-F93 HydrophobicContact CB-CE1 4.25Å; F52-F93 HydrophobicContact CD2-CD1 4.46Å; F52-F93 AromaticContact CD2-CE1 3.95Å; F52-F93 HydrophobicContact CD2-CE1 3.95Å; F52-F93 HydrophobicContact CD2-CZ 4.34Å; K79-F93 PolarHBondContact N-O 2.91Å; K79-F93 PolarHBondContact O-N 3.4Å; I81-F93 HydrophobicContact CD1-CD2 4.16Å; I81-F93 HydrophobicContact CD1-CE2 4.11Å; I81-F93 HydrophobicContact CG1-CD2 4.08Å; I81-F93 HydrophobicContact CG1-CE2 3.82Å; Y91-F93 HydrophobicContact CD2-CE2 4.26Å; Y91-F93 HydrophobicContact CD2-CZ 4.49Å; Y91-F93 AromaticContact CE2-CE2 3.97Å; Y91-F93 HydrophobicContact CE2-CE2 3.97Å; Y91-F93 HydrophobicContact CE2-CZ 4.24Å; F93-A125 HydrophobicContact CD1-CB 3.91Å; F93-A125 HydrophobicContact CE1-CB 4.25Å |
| 94 | V | 97.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 127.1 | 176.7 | 179.1 | 0 | 0 | 0 | 0 | 107.7 | R50 I51 V53 F69 V75 V78 F96 | R50-V94 CarbonylContact C-O 3.48Å; R50-V94 VanDerWaalsContact CA-O 3.32Å; R50-V94 WeakPolarHBondContact CA-O 3.32Å; R50-V94 VanDerWaalsContact CG-O 3.31Å; R50-V94 WeakPolarHBondContact CG-O 3.24Å; I51-V94 HydrophobicContact CD1-CB 4.05Å; I51-V94 HydrophobicContact CG1-CB 3.72Å; I51-V94 HydrophobicContact CG1-CG2 4.48Å; I51-V94 PolarHBondContact N-O 2.89Å; I51-V94 PolarHBondContact O-N 2.78Å; I51-V94 VanDerWaalsContact O-N 3.11Å; V53-V94 HydrophobicContact CG2-CG2 3.93Å; F69-V94 HydrophobicContact CB-CG1 4.08Å; F69-V94 HydrophobicContact CD2-CG2 3.77Å; F69-V94 HydrophobicContact CE2-CG2 4.15Å; F69-V94 HydrophobicContact CG-CG1 4.34Å; F69-V94 HydrophobicContact CG-CG2 4.35Å; V75-V94 HydrophobicContact CG1-CG1 3.8Å; V75-V94 HydrophobicContact CG2-CG1 4.17Å; V78-V94 HydrophobicContact CG1-CG2 4.23Å; V78-V94 HydrophobicContact CG2-CG1 4.23Å; V78-V94 HydrophobicContact CG2-CG2 4.26Å; V94-F96 HydrophobicContact CB-CE2 4.37Å; V94-F96 HydrophobicContact CG1-CD2 4.31Å; V94-F96 HydrophobicContact CG1-CE2 3.79Å; V94-F96 HydrophobicContact CG1-CZ 3.91Å |
| 95 | T | 96.6 | Very high | 93.4 | Very high | 24 Ų | 24 | 63.2 Ų | 63.2 | 15% | 0.147 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 126.6 | 177.7 | -47.3 | 0 | 0 | 0 | 0 | 108 | N49 R50 K76 D77 | N49-T95 CarbonylContact O-C 3.58Å; N49-T95 WeakPolarHBondContact O-CA 3.49Å; R50-T95 PolarHBondContact NE-OG1 3.32Å; K76-T95 PolarHBondContact N-O 2.96Å; D77-T95 PolarHBondContact N-O 3.33Å; D77-T95 PolarHBondContact O-N 3.11Å |
| 96 | F | 97.5 | Very high | 93.3 | Very high | 1 Ų | 1 | 60.7 Ų | 60.7 | 0% | 0.004 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 162.9 | 175.4 | -67.7 | -90.4 | 0 | 0 | 0 | 110.5 | N49 I51 F69 A74 V75 V94 D101 V102 I105 | N49-F96 PolarHBondContact O-N 3.09Å; I51-F96 HydrophobicContact CD1-CE2 3.73Å; I51-F96 HydrophobicContact CD1-CZ 4.23Å; I51-F96 HydrophobicContact CG1-CE2 3.89Å; I51-F96 HydrophobicContact CG2-CE2 4.37Å; F69-F96 HydrophobicContact CB-CE1 4.29Å; F69-F96 HydrophobicContact CB-CZ 3.91Å; F69-F96 HydrophobicContact CD1-CZ 4.1Å; F69-F96 HydrophobicContact CG-CZ 4.31Å; A74-F96 CarbonylContact O-C 3.51Å; A74-F96 VanDerWaalsContact O-CA 3.31Å; A74-F96 WeakPolarHBondContact O-CA 3.24Å; V75-F96 HydrophobicContact CG2-CD1 4.12Å; V75-F96 HydrophobicContact CG2-CE1 3.76Å; V75-F96 HydrophobicContact CG2-CZ 4.44Å; V94-F96 HydrophobicContact CB-CE2 4.37Å; V94-F96 HydrophobicContact CG1-CD2 4.31Å; V94-F96 HydrophobicContact CG1-CE2 3.79Å; V94-F96 HydrophobicContact CG1-CZ 3.91Å; F96-D101 HydrophobicContact CB-CB 4.44Å; F96-D101 HydrophobicContact CD1-CB 4.14Å; F96-D101 HydrophobicContact CG-CB 4.29Å; F96-V102 HydrophobicContact CB-CG2 4.29Å; F96-V102 HydrophobicContact CD2-CG2 3.55Å; F96-V102 HydrophobicContact CE2-CG2 4.26Å; F96-V102 HydrophobicContact CG-CG2 4.23Å; F96-I105 HydrophobicContact CE1-CD1 4.09Å; F96-I105 HydrophobicContact CE2-CD1 3.79Å; F96-I105 HydrophobicContact CZ-CD1 3.4Å; F96-I105 VanDerWaalsContact CZ-CD1 3.4Å |
| 97 | E | 96.3 | Very high | 93.2 | Very high | 118 Ų | 118 | 62.3 Ų | 62.3 | 55% | 0.551 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -68.2 | -45.1 | 169.3 | -63.9 | -166.9 | 155.9 | 0 | 0 | 110.7 | N49 A74 K76 | N49-E97 PolarHBondContact ND2-O 3.4Å; N49-E97 VanDerWaalsContact ND2-O 3.08Å; A74-E97 HydrophobicContact CB-CB 4.16Å; A74-E97 HydrophobicContact CB-CG 3.91Å; A74-E97 PolarHBondContact O-N 3.43Å; K76-E97 HydrophobicContact CB-CG 4.2Å |
| 98 | N | 93.9 | Very high | 92.8 | Very high | 84 Ų | 84 | 60.8 Ų | 60.8 | 45% | 0.449 | 30% | 0.295 | S | S | . | . | trans | -106.6 | 143.9 | -176 | -59.5 | -43.9 | 0 | 0 | 0 | 112.6 | ||||
| 99 | Q | 93.4 | Very high | 91.4 | Very high | 84 Ų | 84 | 65.1 Ų | 65.1 | 39% | 0.393 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -70 | -34 | 173.6 | -175.6 | 171.2 | -12.8 | 0 | 0 | 112 | P48 N49 D101 V102 L103 | P48-Q99 HydrophobicContact CB-CG 3.8Å; P48-Q99 VanDerWaalsContact CB-OE1 3.24Å; N49-Q99 VanDerWaalsContact OD1-CB 3.27Å; N49-Q99 WeakPolarHBondContact OD1-CB 3.26Å; Q99-D101 PolarHBondContact O-N 2.88Å; Q99-V102 WeakPolarHBondContact O-CA 3.44Å; Q99-V102 VanDerWaalsContact O-CB 3.31Å; Q99-V102 WeakPolarHBondContact O-CB 3.48Å; Q99-V102 PolarHBondContact O-N 3.01Å; Q99-L103 HydrophobicContact CG-CD1 4.46Å; Q99-L103 HydrophobicContact CG-CG 4.4Å; Q99-L103 PolarHBondContact O-N 3.07Å; Q99-L103 VanDerWaalsContact O-N 3.07Å |
| 100 | D | 92.7 | Very high | 89.6 | Confident | 107 Ų | 107 | 64.8 Ų | 64.8 | 57% | 0.572 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -61.6 | -34.5 | -175.8 | -58 | -66.6 | 0 | 0 | 0 | 111.9 | V102 L103 R104 | D100-V102 VanDerWaalsContact C-N 3.3Å; D100-V102 PolarHBondContact O-N 2.79Å; D100-L103 PolarHBondContact O-N 3.28Å; D100-R104 WeakPolarHBondContact O-CG 3.43Å; D100-R104 PolarHBondContact O-N 3.05Å |
| 101 | D | 92.8 | Very high | 88.3 | Confident | 11 Ų | 11 | 59 Ų | 59 | 6% | 0.059 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.5 | -43.1 | 174.1 | -61 | -19.4 | 0 | 0 | 0 | 111.1 | G73 F96 Q99 R104 I105 | G73-D101 WeakPolarHBondContact CA-OD2 3.49Å; F96-D101 HydrophobicContact CB-CB 4.44Å; F96-D101 HydrophobicContact CD1-CB 4.14Å; F96-D101 HydrophobicContact CG-CB 4.29Å; Q99-D101 PolarHBondContact O-N 2.88Å; D101-R104 PolarHBondContact O-N 3.22Å; D101-R104 IonicContact OD1-CZ 2.79Å; D101-R104 IonicContact OD1-NE 2.92Å; D101-R104 IonicContact OD1-NH2 3.48Å; D101-R104 PolarHBondContact OD1-NH2 3.25Å; D101-I105 WeakPolarHBondContact O-CD1 3.33Å; D101-I105 VanDerWaalsContact O-CG1 3.24Å; D101-I105 WeakPolarHBondContact O-CG1 3.41Å; D101-I105 PolarHBondContact O-N 2.86Å; D101-I105 VanDerWaalsContact O-N 3.09Å |
| 102 | V | 92.5 | Very high | 87.3 | Confident | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.006 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.8 | -45.5 | 176.7 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | P48 I51 F96 Q99 D100 R104 I105 L106 | P48-V102 WeakPolarHBondContact O-CG1 3.26Å; I51-V102 HydrophobicContact CG2-CB 4.24Å; I51-V102 HydrophobicContact CG2-CG1 3.57Å; I51-V102 HydrophobicContact CG2-CG2 4.06Å; F96-V102 HydrophobicContact CB-CG2 4.29Å; F96-V102 HydrophobicContact CD2-CG2 3.55Å; F96-V102 HydrophobicContact CE2-CG2 4.26Å; F96-V102 HydrophobicContact CG-CG2 4.23Å; Q99-V102 WeakPolarHBondContact O-CA 3.44Å; Q99-V102 VanDerWaalsContact O-CB 3.31Å; Q99-V102 WeakPolarHBondContact O-CB 3.48Å; Q99-V102 PolarHBondContact O-N 3.01Å; D100-V102 VanDerWaalsContact C-N 3.3Å; D100-V102 PolarHBondContact O-N 2.79Å; V102-R104 VanDerWaalsContact C-N 3.32Å; V102-R104 PolarHBondContact O-N 2.78Å; V102-I105 PolarHBondContact O-N 2.97Å; V102-L106 HydrophobicContact CG1-CD1 3.59Å; V102-L106 HydrophobicContact CG1-CG 4.17Å; V102-L106 WeakPolarHBondContact O-CB 3.1Å; V102-L106 VanDerWaalsContact O-CG 3.26Å; V102-L106 WeakPolarHBondContact O-CG 3.22Å; V102-L106 PolarHBondContact O-N 2.81Å |
| 103 | L | 91.1 | Very high | 86.8 | Confident | 80 Ų | 80 | 62 Ų | 62 | 42% | 0.419 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.8 | -42.7 | 178.9 | -66.9 | 176.8 | 0 | 0 | 0 | 111.3 | Q99 D100 L106 S107 | Q99-L103 HydrophobicContact CG-CD1 4.46Å; Q99-L103 HydrophobicContact CG-CG 4.4Å; Q99-L103 PolarHBondContact O-N 3.07Å; Q99-L103 VanDerWaalsContact O-N 3.07Å; D100-L103 PolarHBondContact O-N 3.28Å; L103-L106 PolarHBondContact O-N 3.16Å; L103-S107 WeakPolarHBondContact O-CB 3.16Å; L103-S107 PolarHBondContact O-N 3.35Å; L103-S107 PolarHBondContact O-OG 2.91Å |
| 104 | R | 90.4 | Very high | 86.3 | Confident | 147 Ų | 147 | 63.9 Ų | 63.9 | 56% | 0.555 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -62.1 | -43.3 | 177.6 | -70.7 | -173.4 | -64 | 165.4 | 2.2 | 112.7 | Y72 D100 D101 V102 S107 N108 | Y72-R104 PolarHBondContact O-NH2 3Å; D100-R104 WeakPolarHBondContact O-CG 3.43Å; D100-R104 PolarHBondContact O-N 3.05Å; D101-R104 PolarHBondContact O-N 3.22Å; D101-R104 IonicContact OD1-CZ 2.79Å; D101-R104 IonicContact OD1-NE 2.92Å; D101-R104 IonicContact OD1-NH2 3.48Å; D101-R104 PolarHBondContact OD1-NH2 3.25Å; V102-R104 VanDerWaalsContact C-N 3.32Å; V102-R104 PolarHBondContact O-N 2.78Å; R104-S107 WeakPolarHBondContact CA-OG 3.48Å; R104-S107 PolarHBondContact O-OG 3.48Å; R104-S107 VanDerWaalsContact O-OG 3.05Å; R104-N108 WeakPolarHBondContact O-CB 3.33Å; R104-N108 PolarHBondContact O-N 2.85Å |
| 105 | I | 90.7 | Very high | 85.7 | Confident | 8 Ų | 8 | 66.2 Ų | 66.2 | 4% | 0.041 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.4 | -43 | 178 | -64.6 | 162.7 | 0 | 0 | 0 | 110.4 | F69 Y72 F96 D101 V102 I122 | F69-I105 HydrophobicContact CD1-CD1 4.5Å; Y72-I105 HydrophobicContact CD1-CG1 4.16Å; Y72-I105 HydrophobicContact CG-CD1 4.2Å; Y72-I105 HydrophobicContact CG-CG1 4.01Å; F96-I105 HydrophobicContact CE1-CD1 4.09Å; F96-I105 HydrophobicContact CE2-CD1 3.79Å; F96-I105 HydrophobicContact CZ-CD1 3.4Å; F96-I105 VanDerWaalsContact CZ-CD1 3.4Å; D101-I105 WeakPolarHBondContact O-CD1 3.33Å; D101-I105 VanDerWaalsContact O-CG1 3.24Å; D101-I105 WeakPolarHBondContact O-CG1 3.41Å; D101-I105 PolarHBondContact O-N 2.86Å; D101-I105 VanDerWaalsContact O-N 3.09Å; V102-I105 PolarHBondContact O-N 2.97Å; I105-I122 HydrophobicContact CG2-CD1 4.06Å; I105-I122 HydrophobicContact CG2-CG2 3.91Å |
| 106 | L | 89 | Confident | 85.1 | Confident | 45 Ų | 45 | 69 Ų | 69 | 24% | 0.236 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -75.7 | -34.5 | -177.7 | -66.7 | 176.6 | 0 | 0 | 0 | 113.2 | I51 V102 L103 N108 I122 Q124 | I51-L106 HydrophobicContact CG2-CD2 4.46Å; I51-L106 HydrophobicContact CG2-CG 4.47Å; V102-L106 HydrophobicContact CG1-CD1 3.59Å; V102-L106 HydrophobicContact CG1-CG 4.17Å; V102-L106 WeakPolarHBondContact O-CB 3.1Å; V102-L106 VanDerWaalsContact O-CG 3.26Å; V102-L106 WeakPolarHBondContact O-CG 3.22Å; V102-L106 PolarHBondContact O-N 2.81Å; L103-L106 PolarHBondContact O-N 3.16Å; L106-N108 VanDerWaalsContact C-N 3.3Å; L106-I122 HydrophobicContact CD2-CG2 4.02Å; L106-Q124 HydrophobicContact CD1-CB 4.17Å; L106-Q124 HydrophobicContact CD1-CG 4.48Å |
| 107 | S | 86.9 | Confident | 84.6 | Confident | 92 Ų | 92 | 78.6 Ų | 78.6 | 64% | 0.643 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -68.5 | -34.2 | 178.9 | 61.3 | 0 | 0 | 0 | 0 | 111.5 | L103 R104 K109 | L103-S107 WeakPolarHBondContact O-CB 3.16Å; L103-S107 PolarHBondContact O-N 3.35Å; L103-S107 PolarHBondContact O-OG 2.91Å; R104-S107 WeakPolarHBondContact CA-OG 3.48Å; R104-S107 PolarHBondContact O-OG 3.48Å; R104-S107 VanDerWaalsContact O-OG 3.05Å; S107-K109 VanDerWaalsContact C-N 3.29Å; S107-K109 PolarHBondContact O-N 2.8Å |
| 108 | N | 81.3 | Confident | 84.1 | Confident | 87 Ų | 87 | 76.8 Ų | 76.8 | 47% | 0.465 | 40% | 0.396 | S | S | . | . | trans | -82.7 | 79.9 | 179.8 | -166.5 | 6.7 | 0 | 0 | 0 | 109.3 | R104 L106 A110 T111 | R104-N108 WeakPolarHBondContact O-CB 3.33Å; R104-N108 PolarHBondContact O-N 2.85Å; L106-N108 VanDerWaalsContact C-N 3.3Å; N108-A110 PolarHBondContact O-N 2.94Å; N108-T111 WeakPolarHBondContact CB-OG1 3.42Å; N108-T111 VanDerWaalsContact CG-OG1 3.24Å; N108-T111 PolarHBondContact ND2-OG1 3.01Å; N108-T111 WeakPolarHBondContact O-CB 3.42Å; N108-T111 PolarHBondContact O-N 3.46Å; N108-T111 PolarHBondContact O-OG1 3.48Å | ||
| 109 | K | 61.3 | Low | 84 | Confident | 126 Ų | 126 | 78.6 Ų | 78.6 | 55% | 0.548 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -19.7 | 177.2 | -68.6 | -164.1 | 96.8 | -172.4 | 0 | 113.3 | P32 L33 S107 T111 | P32-K109 WeakPolarHBondContact O-CD 3.37Å; P32-K109 PolarHBondContact O-NZ 2.93Å; L33-K109 HydrophobicContact CD1-CD 3.89Å; S107-K109 VanDerWaalsContact C-N 3.29Å; S107-K109 PolarHBondContact O-N 2.8Å; K109-T111 VanDerWaalsContact C-N 3.3Å |
| 110 | A | 56.1 | Low | 84 | Confident | 86 Ų | 86 | 75.2 Ų | 75.2 | 71% | 0.711 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -0.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | N108 E112 | N108-A110 PolarHBondContact O-N 2.94Å; A110-E112 PolarHBondContact O-N 3.28Å |
| 111 | T | 67.1 | Low | 83.9 | Confident | 27 Ų | 27 | 73.9 Ų | 73.9 | 17% | 0.166 | 38% | 0.382 | C | S | . | . | trans | -73.4 | 77.3 | 175.9 | -28.4 | 0 | 0 | 0 | 0 | 109.5 | Y72 N108 K109 I113 | Y72-T111 HydrophobicContact CE1-CG2 3.74Å; N108-T111 WeakPolarHBondContact CB-OG1 3.42Å; N108-T111 VanDerWaalsContact CG-OG1 3.24Å; N108-T111 PolarHBondContact ND2-OG1 3.01Å; N108-T111 WeakPolarHBondContact O-CB 3.42Å; N108-T111 PolarHBondContact O-N 3.46Å; N108-T111 PolarHBondContact O-OG1 3.48Å; K109-T111 VanDerWaalsContact C-N 3.3Å; T111-I113 HydrophobicContact CG2-CD1 4.13Å; T111-I113 HydrophobicContact CG2-CG1 3.79Å; T111-I113 PolarHBondContact O-N 3.29Å | ||
| 112 | E | 74.9 | Confident | 83.9 | Confident | 126 Ų | 126 | 75.5 Ų | 75.5 | 59% | 0.589 | 39% | 0.391 | S | S | * | . | trans | -76.6 | 79.8 | 173.5 | -171.8 | 151 | -111.1 | 0 | 0 | 108.9 | A110 S114 K119 | A110-E112 PolarHBondContact O-N 3.28Å; E112-S114 PolarHBondContact O-N 3.32Å; E112-K119 HydrophobicContact CG-CD 4.07Å; E112-K119 HydrophobicContact CG-CG 4.18Å; E112-K119 WeakPolarHBondContact OE1-CD 3.42Å; E112-K119 WeakPolarHBondContact OE1-CE 3.4Å; E112-K119 IonicContact OE1-NZ 2.65Å; E112-K119 PolarHBondContact OE1-NZ 3.48Å; E112-K119 VanDerWaalsContact OE2-CE 3.24Å; E112-K119 WeakPolarHBondContact OE2-CE 3.43Å; E112-K119 IonicContact OE2-NZ 2.76Å; E112-K119 PolarHBondContact OE2-NZ 2.92Å | ||
| 113 | I | 85.3 | Confident | 83.9 | Confident | 8 Ų | 8 | 76.5 Ų | 76.5 | 4% | 0.041 | 40% | 0.401 | C | S | . | . | trans | -75.2 | 108.4 | 176.3 | -52.4 | -169.1 | 0 | 0 | 0 | 107.7 | I68 F69 Y72 T111 L120 I122 | I68-I113 HydrophobicContact CG2-CG2 3.52Å; F69-I113 HydrophobicContact CD1-CD1 4.35Å; F69-I113 HydrophobicContact CE1-CD1 3.64Å; F69-I113 HydrophobicContact CZ-CD1 4.18Å; Y72-I113 HydrophobicContact CD2-CD1 4.27Å; Y72-I113 HydrophobicContact CE1-CD1 4.43Å; Y72-I113 HydrophobicContact CE2-CD1 3.41Å; Y72-I113 VanDerWaalsContact CE2-CD1 3.41Å; Y72-I113 HydrophobicContact CE2-CG1 4.4Å; Y72-I113 VanDerWaalsContact CZ-CD1 3.49Å; Y72-I113 WeakPolarHBondContact OH-CD1 3.32Å; T111-I113 HydrophobicContact CG2-CD1 4.13Å; T111-I113 HydrophobicContact CG2-CG1 3.79Å; T111-I113 PolarHBondContact O-N 3.29Å; I113-L120 HydrophobicContact CG2-CD1 4.09Å; I113-L120 WeakPolarHBondContact O-CB 3.36Å; I113-L120 PolarHBondContact O-N 2.83Å; I113-I122 HydrophobicContact CB-CD1 4.18Å; I113-I122 HydrophobicContact CD1-CD1 3.41Å; I113-I122 VanDerWaalsContact CD1-CD1 3.41Å; I113-I122 HydrophobicContact CG1-CD1 3.74Å | ||
| 114 | S | 85.4 | Confident | 83.9 | Confident | 79 Ų | 79 | 76.5 Ų | 76.5 | 55% | 0.552 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 141.6 | 174.1 | 62.3 | 0 | 0 | 0 | 0 | 110.7 | E112 K118 | E112-S114 PolarHBondContact O-N 3.32Å; S114-K118 CarbonylContact C-O 3.53Å; S114-K118 VanDerWaalsContact CA-O 3.28Å; S114-K118 WeakPolarHBondContact CA-O 3.2Å |
| 115 | F | 85.6 | Confident | 84.1 | Confident | 50 Ų | 50 | 69.5 Ų | 69.5 | 22% | 0.219 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 132.5 | 177.1 | -172.1 | -112.1 | 0 | 0 | 0 | 110.3 | V60 D64 I68 E117 K118 L120 | V60-F115 HydrophobicContact CB-CD1 4.43Å; V60-F115 HydrophobicContact CB-CE1 4.35Å; V60-F115 HydrophobicContact CG1-CD1 4.03Å; V60-F115 HydrophobicContact CG1-CE1 3.96Å; V60-F115 HydrophobicContact CG2-CD1 3.56Å; V60-F115 HydrophobicContact CG2-CE1 3.76Å; D64-F115 HydrophobicContact CB-CE1 3.63Å; D64-F115 HydrophobicContact CB-CZ 3.68Å; D64-F115 WeakPolarHBondContact OD2-CE1 3.06Å; I68-F115 HydrophobicContact CD1-CB 3.81Å; I68-F115 HydrophobicContact CD1-CD1 3.91Å; I68-F115 HydrophobicContact CD1-CD2 3.4Å; I68-F115 VanDerWaalsContact CD1-CD2 3.4Å; I68-F115 HydrophobicContact CD1-CE1 4.29Å; I68-F115 HydrophobicContact CD1-CE2 3.85Å; I68-F115 HydrophobicContact CD1-CG 3.43Å; I68-F115 VanDerWaalsContact CD1-CG 3.43Å; I68-F115 HydrophobicContact CD1-CZ 4.27Å; I68-F115 HydrophobicContact CG1-CD2 4.03Å; I68-F115 HydrophobicContact CG1-CE2 4.3Å; F115-E117 VanDerWaalsContact C-N 3.29Å; F115-E117 PolarHBondContact O-N 3.27Å; F115-K118 PolarHBondContact N-O 3.49Å; F115-K118 PolarHBondContact O-N 3Å; F115-K118 VanDerWaalsContact O-N 3.07Å; F115-L120 HydrophobicContact CB-CD1 4.44Å |
| 116 | K | 84.1 | Confident | 84.1 | Confident | 81 Ų | 81 | 71.5 Ų | 71.5 | 35% | 0.352 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 49.3 | -177.2 | -65.7 | 174.7 | 177.3 | 161.2 | 0 | 112.1 | R59 V60 D64 K118 | R59-K116 HydrophobicContact CB-CD 4.34Å; R59-K116 PolarHBondContact O-NZ 3.3Å; V60-K116 HydrophobicContact CG2-CD 4.06Å; D64-K116 IonicContact OD2-NZ 3.87Å; D64-K116 PolarHBondContact OD2-NZ 3.13Å; K116-K118 PolarHBondContact O-N 2.98Å; K116-K118 VanDerWaalsContact O-N 3.11Å |
| 117 | E | 84.9 | Confident | 84.1 | Confident | 203 Ų | 203 | 75.7 Ų | 75.7 | 95% | 0.949 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | 10.4 | 179 | -55.8 | 172.5 | 175.8 | 0 | 0 | 115.3 | F115 | F115-E117 VanDerWaalsContact C-N 3.29Å; F115-E117 PolarHBondContact O-N 3.27Å |
| 118 | K | 87.7 | Confident | 83.9 | Confident | 80 Ų | 80 | 77.7 Ų | 77.7 | 35% | 0.348 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 137.9 | 174.3 | -68.8 | -172.8 | -176.3 | 171.7 | 0 | 111.4 | D57 S114 F115 K116 | D57-K118 HydrophobicContact CB-CD 3.92Å; D57-K118 IonicContact OD1-NZ 2.65Å; D57-K118 PolarHBondContact OD1-NZ 2.93Å; D57-K118 IonicContact OD2-NZ 2.77Å; D57-K118 PolarHBondContact OD2-NZ 3.19Å; S114-K118 CarbonylContact C-O 3.53Å; S114-K118 VanDerWaalsContact CA-O 3.28Å; S114-K118 WeakPolarHBondContact CA-O 3.2Å; F115-K118 PolarHBondContact N-O 3.49Å; F115-K118 PolarHBondContact O-N 3Å; F115-K118 VanDerWaalsContact O-N 3.07Å; K116-K118 PolarHBondContact O-N 2.98Å; K116-K118 VanDerWaalsContact O-N 3.11Å |
| 119 | K | 90.8 | Very high | 83.5 | Confident | 123 Ų | 123 | 77.9 Ų | 77.9 | 54% | 0.535 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 129.7 | 174 | -66.3 | 175.2 | 171.2 | -162.6 | 0 | 109.3 | E112 | E112-K119 HydrophobicContact CG-CD 4.07Å; E112-K119 HydrophobicContact CG-CG 4.18Å; E112-K119 WeakPolarHBondContact OE1-CD 3.42Å; E112-K119 WeakPolarHBondContact OE1-CE 3.4Å; E112-K119 IonicContact OE1-NZ 2.65Å; E112-K119 PolarHBondContact OE1-NZ 3.48Å; E112-K119 VanDerWaalsContact OE2-CE 3.24Å; E112-K119 WeakPolarHBondContact OE2-CE 3.43Å; E112-K119 IonicContact OE2-NZ 2.76Å; E112-K119 PolarHBondContact OE2-NZ 2.92Å |
| 120 | L | 92.8 | Very high | 83.1 | Confident | 13 Ų | 13 | 80.3 Ų | 80.3 | 7% | 0.068 | 41% | 0.412 | C | S | . | . | trans | -86.4 | 134 | 176.4 | -59 | -179.4 | 0 | 0 | 0 | 109.6 | V53 G54 I56 L65 F69 I113 F115 | V53-L120 HydrophobicContact CG1-CB 4.14Å; V53-L120 HydrophobicContact CG1-CD1 4.08Å; V53-L120 HydrophobicContact CG1-CD2 4.38Å; V53-L120 HydrophobicContact CG1-CG 4.44Å; G54-L120 WeakPolarHBondContact O-CA 3.45Å; I56-L120 HydrophobicContact CG1-CD2 4.13Å; L65-L120 HydrophobicContact CD2-CD1 4.16Å; F69-L120 HydrophobicContact CE2-CD1 4.45Å; I113-L120 HydrophobicContact CG2-CD1 4.09Å; I113-L120 WeakPolarHBondContact O-CB 3.36Å; I113-L120 PolarHBondContact O-N 2.83Å; F115-L120 HydrophobicContact CB-CD1 4.44Å | ||
| 121 | C | 91.7 | Very high | 82.7 | Confident | 78 Ų | 78 | 81.7 Ų | 81.7 | 53% | 0.527 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 113.5 | 175.4 | -56.6 | 0 | 0 | 0 | 0 | 109.2 | V53 G54 | V53-C121 CarbonylContact C-O 3.56Å; V53-C121 WeakPolarHBondContact CA-O 3.37Å; G54-C121 PolarHBondContact N-O 2.77Å; G54-C121 PolarHBondContact O-N 2.84Å |
| 122 | I | 92.9 | Very high | 81.5 | Confident | 46 Ų | 46 | 86 Ų | 86 | 24% | 0.236 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 134.1 | -177.9 | -50.8 | 167.5 | 0 | 0 | 0 | 109.2 | I51 F52 F69 I105 L106 I113 | I51-I122 HydrophobicContact CB-CG2 4.21Å; I51-I122 HydrophobicContact CD1-CG2 4.04Å; I51-I122 HydrophobicContact CG2-CG2 4.43Å; F52-I122 WeakPolarHBondContact O-CA 3.17Å; F69-I122 HydrophobicContact CE1-CD1 4.02Å; F69-I122 HydrophobicContact CZ-CD1 4.18Å; F69-I122 HydrophobicContact CZ-CG1 4.37Å; I105-I122 HydrophobicContact CG2-CD1 4.06Å; I105-I122 HydrophobicContact CG2-CG2 3.91Å; L106-I122 HydrophobicContact CD2-CG2 4.02Å; I113-I122 HydrophobicContact CB-CD1 4.18Å; I113-I122 HydrophobicContact CD1-CD1 3.41Å; I113-I122 VanDerWaalsContact CD1-CD1 3.41Å; I113-I122 HydrophobicContact CG1-CD1 3.74Å |
| 123 | G | 91.6 | Very high | 79.9 | Confident | 21 Ų | 21 | 83 Ų | 83 | 22% | 0.216 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 173.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | I51 F52 | I51-G123 WeakPolarHBondContact CA-O 3.12Å; F52-G123 PolarHBondContact N-O 3.26Å; F52-G123 PolarHBondContact O-N 2.8Å |
| 124 | Q | 92.1 | Very high | 78 | Confident | 81 Ų | 81 | 93.4 Ų | 93.4 | 38% | 0.379 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 134.1 | 176.2 | -169.6 | 136.8 | 58.9 | 0 | 0 | 110.7 | I46 L106 | I46-Q124 HydrophobicContact CB-CG 4.45Å; I46-Q124 HydrophobicContact CG1-CG 4.26Å; I46-Q124 VanDerWaalsContact CG2-CD 3.4Å; I46-Q124 HydrophobicContact CG2-CG 3.5Å; I46-Q124 VanDerWaalsContact CG2-CG 3.5Å; L106-Q124 HydrophobicContact CD1-CB 4.17Å; L106-Q124 HydrophobicContact CD1-CG 4.48Å |
| 125 | A | 94.3 | Very high | 75.7 | Confident | 0 Ų | 0 | 93 Ų | 93 | 0% | 0 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 131.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | I47 R50 F93 | I47-A125 HydrophobicContact CB-CB 4.35Å; I47-A125 PolarHBondContact N-O 2.9Å; R50-A125 HydrophobicContact CB-CB 3.76Å; R50-A125 HydrophobicContact CG-CB 3.75Å; R50-A125 WeakPolarHBondContact O-CB 3.23Å; R50-A125 PolarHBondContact O-N 2.82Å; F93-A125 HydrophobicContact CD1-CB 3.91Å; F93-A125 HydrophobicContact CE1-CB 4.25Å |
| 126 | V | 91.3 | Very high | 73.5 | Confident | 50 Ų | 50 | 99.7 Ų | 99.7 | 30% | 0.303 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 122.5 | 177.8 | -179.5 | 0 | 0 | 0 | 0 | 109.6 | I46 K128 | I46-V126 HydrophobicContact CG1-CG2 4.4Å; V126-K128 PolarHBondContact O-N 2.62Å |
| 127 | K | 88.5 | Confident | 71.5 | Confident | 132 Ų | 132 | 101 Ų | 101 | 57% | 0.574 | 56% | 0.559 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -79 | 107.6 | 167.9 | -168.7 | 177.6 | 178.4 | -177.8 | 0 | 108.3 | G44 T45 I47 N129 | G44-K127 CarbonylContact C-O 3.5Å; G44-K127 WeakPolarHBondContact CA-O 3.48Å; T45-K127 PolarHBondContact N-O 2.98Å; T45-K127 PolarHBondContact O-N 2.79Å; I47-K127 HydrophobicContact CD1-CB 3.96Å; I47-K127 HydrophobicContact CG1-CB 3.97Å; K127-N129 PolarHBondContact O-N 3.37Å |
| 128 | K | 82.4 | Confident | 69.5 | Low | 134 Ų | 134 | 99.9 Ų | 99.9 | 58% | 0.583 | 55% | 0.551 | S | S | * | * | trans | -67.3 | 118.9 | 168.3 | -170.2 | 172.2 | -177 | 173.5 | 0 | 108.5 | V126 H130 | V126-K128 PolarHBondContact O-N 2.62Å; K128-H130 PolarHBondContact O-N 2.96Å; K128-H130 VanDerWaalsContact O-N 3.07Å | ||
| 129 | N | 72.6 | Confident | 67.6 | Low | 92 Ų | 92 | 104.4 Ų | 104.4 | 49% | 0.492 | 58% | 0.579 | S | S | . | * | trans | -64.4 | 114 | 171.6 | -70 | -25.4 | 0 | 0 | 0 | 107.3 | K127 S131 | K127-N129 PolarHBondContact O-N 3.37Å; N129-S131 PolarHBondContact O-N 2.92Å | ||
| 130 | H | 52.6 | Low | 65.3 | Low | 176 Ų | 176 | 104.9 Ų | 104.9 | 82% | 0.815 | 59% | 0.592 | S | S | * | * | trans | -70.7 | 81.5 | 166.7 | -74.5 | -89.9 | 0 | 0 | 0 | 107.3 | K128 S132 | K128-H130 PolarHBondContact O-N 2.96Å; K128-H130 VanDerWaalsContact O-N 3.07Å; H130-S132 PolarHBondContact O-N 3.04Å | ||
| 131 | S | 48.8 | Very low | 62.9 | Low | 116 Ų | 116 | 115.5 Ų | 115.5 | 81% | 0.811 | 63% | 0.631 | S | S | * | * | trans | -65.7 | 82.9 | 151.9 | 45.4 | 0 | 0 | 0 | 0 | 106.6 | N129 G133 | N129-S131 PolarHBondContact O-N 2.92Å; S131-G133 PolarHBondContact O-N 3.08Å; S131-G133 VanDerWaalsContact O-N 3.08Å | ||
| 132 | S | 42.2 | Very low | 60.5 | Low | 117 Ų | 117 | 121 Ų | 121 | 82% | 0.818 | 65% | 0.652 | S | S | * | * | trans | -56.7 | 109 | 168.4 | 49.1 | 0 | 0 | 0 | 0 | 108.8 | H130 | H130-S132 PolarHBondContact O-N 3.04Š| ||
| 133 | G | 40.7 | Very low | 57.8 | Low | 63 Ų | 63 | 123.7 Ų | 123.7 | 65% | 0.649 | 68% | 0.681 | S | S | * | * | trans | 146.6 | 94.7 | 154.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | S131 G135 | S131-G133 PolarHBondContact O-N 3.08Å; S131-G133 VanDerWaalsContact O-N 3.08Å; G133-G135 PolarHBondContact O-N 3.38Å | ||
| 134 | K | 44.3 | Very low | 55.4 | Low | 227 Ų | 227 | 129.6 Ų | 129.6 | 99% | 0.987 | 71% | 0.707 | S | S | * | * | -65.2 | 107.9 | 128.3 | -77.8 | 179 | 174.4 | 176.5 | 0 | 106.3 | |||||
| 135 | G | 38.1 | Very low | 52.8 | Low | 70 Ų | 70 | 133.4 Ų | 133.4 | 72% | 0.722 | 73% | 0.729 | S | S | * | * | trans | -178 | 125.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | G133 | G133-G135 PolarHBondContact O-N 3.38Š| ||
| 136 | K | 39.7 | Very low | 49.9 | Very low | 190 Ų | 190 | 139.8 Ų | 139.8 | 83% | 0.826 | 76% | 0.764 | S | S | * | * | trans | -49.1 | 137.1 | -173.6 | -64.2 | 174.5 | 174.1 | 178.2 | 0 | 114.3 | K138 | K136-K138 PolarHBondContact O-N 3.1Å; K136-K138 VanDerWaalsContact O-N 3.16Å | ||
| 137 | A | 42.3 | Very low | 47.6 | Very low | 108 Ų | 108 | 143.4 Ų | 143.4 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | trans | -53.1 | 116.9 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 138 | K | 42.7 | Very low | 45.3 | Very low | 180 Ų | 180 | 145.1 Ų | 145.1 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | trans | -125.3 | 111.7 | 160.7 | -70.6 | -170.8 | -179.8 | -178.3 | 0 | 107.1 | K136 T140 | K136-K138 PolarHBondContact O-N 3.1Å; K136-K138 VanDerWaalsContact O-N 3.16Å; K138-T140 PolarHBondContact O-N 2.84Å | ||
| 139 | N | 46.6 | Very low | 43.3 | Very low | 176 Ų | 176 | 147.5 Ų | 147.5 | 94% | 0.941 | 81% | 0.814 | S | S | * | * | trans | -42.7 | 110.8 | 162.7 | -108.3 | 2 | 0 | 0 | 0 | 109 | ||||
| 140 | T | 44.2 | Very low | 41.9 | Very low | 132 Ų | 132 | 146.6 Ų | 146.6 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | trans | -124.8 | 129.7 | 159.4 | -58.6 | 0 | 0 | 0 | 0 | 107.5 | K138 | K138-T140 PolarHBondContact O-N 2.84Š| ||
| 141 | R | 41 | Very low | 42.1 | Very low | 237 Ų | 237 | 143.9 Ų | 143.9 | 89% | 0.894 | 81% | 0.814 | S | S | * | * | trans | -61.8 | 153.8 | -166.6 | -67.3 | 170.3 | 173.2 | 171.5 | -4.2 | 111.9 | A143 | R141-A143 PolarHBondContact O-N 3.41Š| ||
| 142 | M | 41.2 | Very low | 42.7 | Very low | 194 Ų | 194 | 138.8 Ų | 138.8 | 96% | 0.956 | 78% | 0.78 | S | S | * | * | trans | -35 | 126.2 | 171.6 | -49.6 | -173.8 | -159.1 | 0 | 0 | 113.1 | ||||
| 143 | A | 36.2 | Very low | 44 | Very low | 102 Ų | 102 | 136.4 Ų | 136.4 | 84% | 0.843 | 76% | 0.76 | S | S | * | * | trans | -130.1 | 112.7 | 148.4 | 0 | 0 | 0 | 0 | 0 | 106.4 | R141 | R141-A143 PolarHBondContact O-N 3.41Š| ||
| 144 | N | 42.4 | Very low | 45.9 | Very low | 144 Ų | 144 | 139 Ų | 139 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | trans | -68.5 | 124.6 | 176.6 | -177.4 | -52.3 | 0 | 0 | 0 | 109 | ||||
| 145 | L | 36.2 | Very low | 47.5 | Very low | 162 Ų | 162 | 137.3 Ų | 137.3 | 85% | 0.848 | 74% | 0.742 | S | S | * | * | trans | 179.8 | 129.5 | 135 | -97.3 | 143.4 | 0 | 0 | 0 | 111.2 | ||||
| 146 | D | 34.3 | Very low | 49.6 | Very low | 134 Ų | 134 | 137.3 Ų | 137.3 | 72% | 0.717 | 73% | 0.726 | S | S | * | * | trans | 90.3 | 100.9 | 163.6 | -127.1 | -25.6 | 0 | 0 | 0 | 120.9 | Q148 | D146-Q148 PolarHBondContact O-N 2.78Š| ||
| 147 | P | 43.3 | Very low | 51.2 | Low | 126 Ų | 126 | 133 Ų | 133 | 82% | 0.818 | 72% | 0.715 | S | S | * | * | trans | -84.4 | 19.4 | 178.1 | -6.3 | 25 | 0 | 0 | 0 | 116.5 | ||||
| 148 | Q | 39 | Very low | 52.9 | Low | 167 Ų | 167 | 129.6 Ų | 129.6 | 78% | 0.78 | 68% | 0.683 | S | S | * | * | trans | -109.1 | 61.1 | -174.2 | -89.3 | -101.6 | 4.3 | 0 | 0 | 113 | D146 | D146-Q148 PolarHBondContact O-N 2.78Š| ||
| 149 | M | 40.6 | Very low | 53.7 | Low | 185 Ų | 185 | 127.4 Ų | 127.4 | 91% | 0.911 | 69% | 0.691 | S | S | * | * | trans | -158 | 70.8 | 148.7 | -138.5 | 88.1 | 80.5 | 0 | 0 | 108.7 | C151 | M149-C151 PolarHBondContact O-N 2.76Š| ||
| 150 | S | 44.3 | Very low | 54.9 | Low | 73 Ų | 73 | 123.8 Ų | 123.8 | 51% | 0.51 | 68% | 0.675 | S | S | . | * | trans | -58.5 | 124.2 | 175.9 | -176.8 | 0 | 0 | 0 | 0 | 109.4 | G152 | S150-G152 PolarHBondContact O-N 3.19Š| ||
| 151 | C | 55.6 | Low | 56.3 | Low | 119 Ų | 119 | 120 Ų | 120 | 80% | 0.804 | 66% | 0.662 | S | S | * | * | trans | -60.7 | 64.1 | 160.1 | 55.2 | 0 | 0 | 0 | 0 | 110 | M149 | M149-C151 PolarHBondContact O-N 2.76Š| ||
| 152 | G | 61.6 | Low | 57.6 | Low | 9 Ų | 9 | 114.1 Ų | 114.1 | 9% | 0.093 | 65% | 0.645 | C | S | . | * | trans | -94.2 | -38.9 | -148 | 0 | 0 | 0 | 0 | 0 | 114.1 | S150 H167 K168 | S150-G152 PolarHBondContact O-N 3.19Å; G152-H167 VanDerWaalsContact C-ND1 3.29Å; G152-H167 WeakPolarHBondContact O-CA 3.15Å; G152-H167 VanDerWaalsContact O-CG 3.25Å; G152-H167 PolarHBondContact O-ND1 2.92Å; G152-K168 PolarHBondContact O-N 3.22Å | ||
| 153 | T | 70.4 | Confident | 59.3 | Low | 67 Ų | 67 | 108.3 Ų | 108.3 | 41% | 0.411 | 62% | 0.621 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -141.6 | 129 | -161.1 | -45.8 | 0 | 0 | 0 | 0 | 111.9 | Y155 T165 Y166 H167 | T153-Y155 HydrophobicContact CG2-CE2 4.36Å; T153-T165 HydrophobicContact CG2-CG2 3.25Å; T153-Y166 CarbonylContact C-O 3.47Å; T153-Y166 VanDerWaalsContact CA-O 3.28Å; T153-Y166 WeakPolarHBondContact CA-O 3.45Å; T153-H167 HydrophobicContact CG2-CB 4.49Å; T153-H167 PolarHBondContact OG1-ND1 3Å |
| 154 | F | 81.1 | Confident | 61.6 | Low | 116 Ų | 116 | 105.8 Ų | 105.8 | 51% | 0.509 | 59% | 0.59 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -123.9 | 146.5 | 172.7 | -55.6 | -96.8 | 0 | 0 | 0 | 109.8 | L156 T165 Y166 | F154-L156 HydrophobicContact CB-CD1 3.31Å; F154-L156 HydrophobicContact CG-CD1 4.45Å; F154-T165 CarbonylContact O-C 3.57Å; F154-T165 VanDerWaalsContact O-CA 3.26Å; F154-T165 WeakPolarHBondContact O-CA 3.32Å; F154-Y166 AromaticContact CD2-CD1 3.9Å; F154-Y166 HydrophobicContact CD2-CD1 3.9Å; F154-Y166 HydrophobicContact CE2-CD1 4.42Å; F154-Y166 PolarHBondContact N-O 2.82Å; F154-Y166 PolarHBondContact O-N 3.18Å |
| 155 | Y | 77.6 | Confident | 63.6 | Low | 192 Ų | 192 | 99.5 Ų | 99.5 | 75% | 0.753 | 56% | 0.557 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -107.9 | 120.5 | 172.4 | -62.3 | -91.1 | 0 | 0 | 0 | 108.4 | T153 T165 | T153-Y155 HydrophobicContact CG2-CE2 4.36Å; Y155-T165 VanDerWaalsContact CD1-OG1 3.23Å; Y155-T165 WeakPolarHBondContact CD1-OG1 3.09Å; Y155-T165 HydrophobicContact CE1-CG2 4.35Å; Y155-T165 VanDerWaalsContact CE1-OG1 3.26Å; Y155-T165 WeakPolarHBondContact CE1-OG1 3.32Å |
| 156 | L | 82 | Confident | 66 | Low | 71 Ų | 71 | 96.5 Ų | 96.5 | 37% | 0.372 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 165.1 | -173.9 | -71.3 | 92.1 | 0 | 0 | 0 | 110.3 | F154 P163 Y164 | F154-L156 HydrophobicContact CB-CD1 3.31Å; F154-L156 HydrophobicContact CG-CD1 4.45Å; L156-P163 WeakPolarHBondContact O-CA 3.42Å; L156-Y164 HydrophobicContact CB-CD1 4.03Å; L156-Y164 HydrophobicContact CB-CD2 4.42Å; L156-Y164 HydrophobicContact CB-CE1 3.41Å; L156-Y164 VanDerWaalsContact CB-CE1 3.41Å; L156-Y164 HydrophobicContact CB-CE2 3.87Å; L156-Y164 HydrophobicContact CD1-CE2 4.38Å; L156-Y164 WeakPolarHBondContact CD2-OH 3.28Å; L156-Y164 PolarHBondContact N-O 2.87Å; L156-Y164 WeakPolarHBondContact O-CD1 3.39Å; L156-Y164 PolarHBondContact O-N 3.14Å; L156-Y164 VanDerWaalsContact O-O 3.06Å |
| 157 | T | 73.7 | Confident | 67.8 | Low | 98 Ų | 98 | 92.5 Ų | 92.5 | 60% | 0.601 | 51% | 0.512 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 143.2 | 172.3 | 49.4 | 0 | 0 | 0 | 0 | 109.7 | H162 | T157-H162 CarbonylContact C-O 3.45Å; T157-H162 WeakPolarHBondContact CA-O 3.42Å |
| 158 | T | 77.9 | Confident | 69.5 | Low | 37 Ų | 37 | 93.7 Ų | 93.7 | 23% | 0.227 | 50% | 0.504 | C | S | . | . | trans | -66.4 | 166.3 | 169.1 | 53.8 | 0 | 0 | 0 | 0 | 110.6 | T160 G161 H162 Y164 F173 | T158-T160 PolarHBondContact O-N 3.12Å; T158-T160 VanDerWaalsContact O-N 3.1Å; T158-T160 PolarHBondContact OG1-OG1 2.93Å; T158-G161 PolarHBondContact O-N 3.36Å; T158-G161 PolarHBondContact OG1-N 3.48Å; T158-H162 PolarHBondContact N-O 2.82Å; T158-H162 WeakPolarHBondContact OG1-CB 3.35Å; T158-H162 PolarHBondContact OG1-N 2.84Å; T158-Y164 HydrophobicContact CG2-CD1 4.15Å; T158-Y164 HydrophobicContact CG2-CE1 4.3Å; T158-F173 HydrophobicContact CG2-CD1 4.45Å; T158-F173 HydrophobicContact CG2-CE1 3.69Å | ||
| 159 | S | 58.9 | Low | 71.4 | Confident | 134 Ų | 134 | 88.1 Ų | 88.1 | 94% | 0.937 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -22.2 | 169.9 | 51.8 | 0 | 0 | 0 | 0 | 113.1 | ||
| 160 | T | 70.8 | Confident | 73.1 | Confident | 101 Ų | 101 | 82.7 Ų | 82.7 | 62% | 0.62 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | 8.4 | 174.4 | 58.2 | 0 | 0 | 0 | 0 | 113.4 | T158 H162 | T158-T160 PolarHBondContact O-N 3.12Å; T158-T160 VanDerWaalsContact O-N 3.1Å; T158-T160 PolarHBondContact OG1-OG1 2.93Å; T160-H162 PolarHBondContact O-ND1 3.02Å; T160-H162 PolarHBondContact OG1-ND1 3.1Å |
| 161 | G | 73.5 | Confident | 74.9 | Confident | 51 Ų | 51 | 81.1 Ų | 81.1 | 53% | 0.526 | 46% | 0.46 | S | S | . | . | trans | 80.8 | 10.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | T158 | T158-G161 PolarHBondContact O-N 3.36Å; T158-G161 PolarHBondContact OG1-N 3.48Å | ||
| 162 | H | 70.1 | Confident | 76.1 | Confident | 115 Ų | 115 | 81 Ų | 81 | 53% | 0.532 | 44% | 0.444 | S | S | . | . | trans | -85.9 | 126.8 | -177.2 | -65.6 | 41.5 | 0 | 0 | 0 | 111 | T157 T158 T160 | T157-H162 CarbonylContact C-O 3.45Å; T157-H162 WeakPolarHBondContact CA-O 3.42Å; T158-H162 PolarHBondContact N-O 2.82Å; T158-H162 WeakPolarHBondContact OG1-CB 3.35Å; T158-H162 PolarHBondContact OG1-N 2.84Å; T160-H162 PolarHBondContact O-ND1 3.02Å; T160-H162 PolarHBondContact OG1-ND1 3.1Å | ||
| 163 | P | 76.4 | Confident | 77.3 | Confident | 72 Ų | 72 | 86.5 Ų | 86.5 | 47% | 0.468 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 133.6 | -178.6 | 28.7 | -33.5 | 0 | 0 | 0 | 111.7 | L156 H174 | L156-P163 WeakPolarHBondContact O-CA 3.42Å; P163-H174 PolarHBondContact O-N 3.47Å; P163-H174 VanDerWaalsContact O-N 3.14Å |
| 164 | Y | 83.8 | Confident | 77.4 | Confident | 48 Ų | 48 | 88.2 Ų | 88.2 | 19% | 0.188 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 152.5 | 173.1 | 75.1 | -85.1 | 0 | 0 | 0 | 111.7 | L156 T158 A171 Y172 F173 | L156-Y164 HydrophobicContact CB-CD1 4.03Å; L156-Y164 HydrophobicContact CB-CD2 4.42Å; L156-Y164 HydrophobicContact CB-CE1 3.41Å; L156-Y164 VanDerWaalsContact CB-CE1 3.41Å; L156-Y164 HydrophobicContact CB-CE2 3.87Å; L156-Y164 HydrophobicContact CD1-CE2 4.38Å; L156-Y164 WeakPolarHBondContact CD2-OH 3.28Å; L156-Y164 PolarHBondContact N-O 2.87Å; L156-Y164 WeakPolarHBondContact O-CD1 3.39Å; L156-Y164 PolarHBondContact O-N 3.14Å; L156-Y164 VanDerWaalsContact O-O 3.06Å; T158-Y164 HydrophobicContact CG2-CD1 4.15Å; T158-Y164 HydrophobicContact CG2-CE1 4.3Å; Y164-A171 HydrophobicContact CD2-CB 3.75Å; Y164-A171 HydrophobicContact CE2-CB 4.07Å; Y164-Y172 CarbonylContact C-O 3.44Å; Y164-Y172 WeakPolarHBondContact CA-O 3.44Å; Y164-Y172 VanDerWaalsContact CB-O 3.32Å; Y164-Y172 WeakPolarHBondContact CB-O 3.28Å; Y164-F173 HydrophobicContact CD1-CE1 4.28Å; Y164-F173 HydrophobicContact CG-CD1 4.41Å; Y164-F173 HydrophobicContact CG-CE1 4.16Å |
| 165 | T | 84.1 | Confident | 76.2 | Confident | 13 Ų | 13 | 87.6 Ų | 87.6 | 8% | 0.08 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 129.5 | 174.5 | -65.9 | 0 | 0 | 0 | 0 | 109.1 | T153 F154 Y155 A171 Y172 H174 | T153-T165 HydrophobicContact CG2-CG2 3.25Å; F154-T165 CarbonylContact O-C 3.57Å; F154-T165 VanDerWaalsContact O-CA 3.26Å; F154-T165 WeakPolarHBondContact O-CA 3.32Å; Y155-T165 VanDerWaalsContact CD1-OG1 3.23Å; Y155-T165 WeakPolarHBondContact CD1-OG1 3.09Å; Y155-T165 HydrophobicContact CE1-CG2 4.35Å; Y155-T165 VanDerWaalsContact CE1-OG1 3.26Å; Y155-T165 WeakPolarHBondContact CE1-OG1 3.32Å; T165-A171 CarbonylContact O-C 3.57Å; T165-A171 WeakPolarHBondContact O-CA 3.42Å; T165-Y172 PolarHBondContact N-O 2.85Å; T165-Y172 WeakPolarHBondContact O-CD2 3.11Å; T165-Y172 PolarHBondContact O-N 2.97Å; T165-H174 PolarHBondContact OG1-CE1 2.93Å |
| 166 | Y | 86.4 | Confident | 75.1 | Confident | 98 Ų | 98 | 84.7 Ų | 84.7 | 38% | 0.384 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 113.9 | 172.6 | -175.3 | -101.1 | 0 | 0 | 0 | 109.4 | T153 F154 G169 V170 A171 | T153-Y166 CarbonylContact C-O 3.47Å; T153-Y166 VanDerWaalsContact CA-O 3.28Å; T153-Y166 WeakPolarHBondContact CA-O 3.45Å; F154-Y166 AromaticContact CD2-CD1 3.9Å; F154-Y166 HydrophobicContact CD2-CD1 3.9Å; F154-Y166 HydrophobicContact CE2-CD1 4.42Å; F154-Y166 PolarHBondContact N-O 2.82Å; F154-Y166 PolarHBondContact O-N 3.18Å; Y166-G169 WeakPolarHBondContact OH-CA 3.07Å; Y166-V170 CarbonylContact C-O 3.44Å; Y166-V170 VanDerWaalsContact CA-O 3.31Å; Y166-V170 WeakPolarHBondContact CA-O 3.38Å; Y166-A171 HydrophobicContact CD2-CB 4.44Å |
| 167 | H | 73.8 | Confident | 73.4 | Confident | 50 Ų | 50 | 85.9 Ų | 85.9 | 23% | 0.231 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 123.6 | 176.4 | -174.3 | 89.2 | 0 | 0 | 0 | 112.5 | G152 T153 G169 V170 Y172 | G152-H167 VanDerWaalsContact C-ND1 3.29Å; G152-H167 WeakPolarHBondContact O-CA 3.15Å; G152-H167 VanDerWaalsContact O-CG 3.25Å; G152-H167 PolarHBondContact O-ND1 2.92Å; T153-H167 HydrophobicContact CG2-CB 4.49Å; T153-H167 PolarHBondContact OG1-ND1 3Å; H167-G169 VanDerWaalsContact C-N 3.29Å; H167-G169 PolarHBondContact O-N 2.77Å; H167-V170 PolarHBondContact N-O 2.77Å; H167-V170 WeakPolarHBondContact O-CB 3.49Å; H167-V170 PolarHBondContact O-N 2.55Å; H167-Y172 HydrophobicContact CB-CD2 4.33Å; H167-Y172 HydrophobicContact CB-CE2 3.81Å |
| 168 | K | 77.1 | Confident | 71.8 | Confident | 151 Ų | 151 | 89 Ų | 89 | 66% | 0.657 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.6 | 44 | 176.4 | -64.6 | 175.4 | -178.5 | 162.1 | 0 | 114.6 | G152 | G152-K168 PolarHBondContact O-N 3.22Š|
| 169 | G | 79.4 | Confident | 70.1 | Confident | 50 Ų | 50 | 93.6 Ų | 93.6 | 52% | 0.515 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.8 | -5.8 | 180 | 0 | 0 | 0 | 0 | 0 | 115 | Y166 H167 | Y166-G169 WeakPolarHBondContact OH-CA 3.07Å; H167-G169 VanDerWaalsContact C-N 3.29Å; H167-G169 PolarHBondContact O-N 2.77Å |
| 170 | V | 76.9 | Confident | 69.3 | Low | 71 Ų | 71 | 92.6 Ų | 92.6 | 43% | 0.43 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 132.4 | -173.3 | -174.1 | 0 | 0 | 0 | 0 | 110.5 | Y166 H167 Y172 | Y166-V170 CarbonylContact C-O 3.44Å; Y166-V170 VanDerWaalsContact CA-O 3.31Å; Y166-V170 WeakPolarHBondContact CA-O 3.38Å; H167-V170 PolarHBondContact N-O 2.77Å; H167-V170 WeakPolarHBondContact O-CB 3.49Å; H167-V170 PolarHBondContact O-N 2.55Å; V170-Y172 HydrophobicContact CB-CE2 3.92Å; V170-Y172 HydrophobicContact CG1-CD2 4.46Å; V170-Y172 HydrophobicContact CG1-CE1 4.5Å; V170-Y172 HydrophobicContact CG1-CE2 3.91Å |
| 171 | A | 82.2 | Confident | 67.6 | Low | 40 Ų | 40 | 95 Ų | 95 | 33% | 0.331 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 127 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111 | Y164 T165 Y166 F173 | Y164-A171 HydrophobicContact CD2-CB 3.75Å; Y164-A171 HydrophobicContact CE2-CB 4.07Å; T165-A171 CarbonylContact O-C 3.57Å; T165-A171 WeakPolarHBondContact O-CA 3.42Å; Y166-A171 HydrophobicContact CD2-CB 4.44Å; A171-F173 HydrophobicContact CB-CE2 3.91Å; A171-F173 HydrophobicContact CB-CZ 4.3Å |
| 172 | Y | 81.2 | Confident | 65.9 | Low | 118 Ų | 118 | 95.9 Ų | 95.9 | 46% | 0.463 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 104.9 | 178.3 | -61.8 | -93.1 | 0 | 0 | 0 | 108.8 | Y164 T165 H167 V170 H174 | Y164-Y172 CarbonylContact C-O 3.44Å; Y164-Y172 WeakPolarHBondContact CA-O 3.44Å; Y164-Y172 VanDerWaalsContact CB-O 3.32Å; Y164-Y172 WeakPolarHBondContact CB-O 3.28Å; T165-Y172 PolarHBondContact N-O 2.85Å; T165-Y172 WeakPolarHBondContact O-CD2 3.11Å; T165-Y172 PolarHBondContact O-N 2.97Å; H167-Y172 HydrophobicContact CB-CD2 4.33Å; H167-Y172 HydrophobicContact CB-CE2 3.81Å; V170-Y172 HydrophobicContact CB-CE2 3.92Å; V170-Y172 HydrophobicContact CG1-CD2 4.46Å; V170-Y172 HydrophobicContact CG1-CE1 4.5Å; V170-Y172 HydrophobicContact CG1-CE2 3.91Å; Y172-H174 PolarHBondContact O-CE1 3.03Å; Y172-H174 PolarHBondContact O-ND1 2.97Å |
| 173 | F | 85.7 | Confident | 64.3 | Low | 124 Ų | 124 | 98.6 Ų | 98.6 | 54% | 0.544 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 127 | 178.2 | -65.5 | -91.7 | 0 | 0 | 0 | 109.8 | T158 Y164 A171 C175 | T158-F173 HydrophobicContact CG2-CD1 4.45Å; T158-F173 HydrophobicContact CG2-CE1 3.69Å; Y164-F173 HydrophobicContact CD1-CE1 4.28Å; Y164-F173 HydrophobicContact CG-CD1 4.41Å; Y164-F173 HydrophobicContact CG-CE1 4.16Å; A171-F173 HydrophobicContact CB-CE2 3.91Å; A171-F173 HydrophobicContact CB-CZ 4.3Å; F173-C175 PolarHBondContact O-N 3.36Å |
| 174 | H | 72.6 | Confident | 62.6 | Low | 102 Ų | 102 | 103 Ų | 103 | 47% | 0.472 | 56% | 0.557 | S | S | . | * | trans | -90.4 | 97 | 178.2 | -62.6 | 73.2 | 0 | 0 | 0 | 107.6 | P163 T165 Y172 P176 | P163-H174 PolarHBondContact O-N 3.47Å; P163-H174 VanDerWaalsContact O-N 3.14Å; T165-H174 PolarHBondContact OG1-CE1 2.93Å; Y172-H174 PolarHBondContact O-CE1 3.03Å; Y172-H174 PolarHBondContact O-ND1 2.97Å; H174-P176 VanDerWaalsContact O-CD 3.29Å; H174-P176 WeakPolarHBondContact O-CD 3.24Å | ||
| 175 | C | 57.1 | Low | 59.9 | Low | 103 Ų | 103 | 111 Ų | 111 | 70% | 0.696 | 59% | 0.587 | S | S | * | * | trans | -82.3 | 116.2 | 166 | -62.3 | 0 | 0 | 0 | 0 | 107.3 | F173 S177 | F173-C175 PolarHBondContact O-N 3.36Å; C175-S177 PolarHBondContact O-N 2.9Å | ||
| 176 | P | 52.5 | Low | 57.2 | Low | 131 Ų | 131 | 116 Ų | 116 | 85% | 0.851 | 62% | 0.623 | S | S | * | * | trans | -64.3 | 94.3 | 159.7 | 26.3 | -29 | 0 | 0 | 0 | 106.1 | H174 | H174-P176 VanDerWaalsContact O-CD 3.29Å; H174-P176 WeakPolarHBondContact O-CD 3.24Å | ||
| 177 | S | 46.9 | Very low | 54.5 | Low | 97 Ų | 97 | 115.5 Ų | 115.5 | 68% | 0.678 | 63% | 0.633 | S | S | * | * | trans | -68.5 | 148.8 | -171.9 | 79.6 | 0 | 0 | 0 | 0 | 110.2 | C175 N179 | C175-S177 PolarHBondContact O-N 2.9Å; S177-N179 PolarHBondContact O-N 2.99Å | ||
| 178 | M | 39.5 | Very low | 52.3 | Low | 164 Ų | 164 | 118.5 Ų | 118.5 | 81% | 0.808 | 66% | 0.655 | S | S | * | * | trans | -16.7 | 126.6 | 142.1 | -62.1 | -88.3 | 77.2 | 0 | 0 | 111.9 | P180 | M178-P180 WeakPolarHBondContact O-CD 3.18Š| ||
| 179 | N | 42.9 | Very low | 49.9 | Very low | 132 Ų | 132 | 120.4 Ų | 120.4 | 71% | 0.706 | 66% | 0.664 | S | S | * | * | trans | -86 | 103.2 | 170.8 | -175.8 | 21.6 | 0 | 0 | 0 | 108.2 | S177 L181 | S177-N179 PolarHBondContact O-N 2.99Å; N179-L181 VanDerWaalsContact C-N 3.29Å; N179-L181 PolarHBondContact O-N 2.97Å | ||
| 180 | P | 41.6 | Very low | 47.6 | Very low | 114 Ų | 114 | 122.3 Ų | 122.3 | 74% | 0.74 | 67% | 0.669 | S | S | * | * | trans | -84.1 | 82.6 | 160.2 | 33.1 | -31.1 | 0 | 0 | 0 | 107.7 | M178 A182 | M178-P180 WeakPolarHBondContact O-CD 3.18Å; P180-A182 PolarHBondContact O-N 3.34Å; P180-A182 VanDerWaalsContact O-N 3.1Å | ||
| 181 | L | 36.8 | Very low | 45.4 | Very low | 150 Ų | 150 | 127.1 Ų | 127.1 | 79% | 0.785 | 69% | 0.687 | S | S | * | * | trans | -68.3 | 106.6 | 165.4 | -169.9 | 75.8 | 0 | 0 | 0 | 107.8 | N179 | N179-L181 VanDerWaalsContact C-N 3.29Å; N179-L181 PolarHBondContact O-N 2.97Å | ||
| 182 | A | 37.5 | Very low | 42.8 | Very low | 70 Ų | 70 | 131.6 Ų | 131.6 | 58% | 0.579 | 71% | 0.706 | S | S | * | * | trans | 141.9 | 79.6 | 146.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | P180 | P180-A182 PolarHBondContact O-N 3.34Å; P180-A182 VanDerWaalsContact O-N 3.1Å | ||
| 183 | H | 36.1 | Very low | 40.4 | Very low | 172 Ų | 172 | 133 Ų | 133 | 80% | 0.796 | 72% | 0.719 | S | S | * | * | trans | -123.5 | 94.7 | 144.3 | -75 | -66.6 | 0 | 0 | 0 | 109 | ||||
| 184 | H | 39.6 | Very low | 37.7 | Very low | 165 Ų | 165 | 130.8 Ų | 130.8 | 76% | 0.764 | 72% | 0.724 | S | S | * | * | trans | -40.4 | 127.5 | 155.1 | 55 | -78.1 | 0 | 0 | 0 | 111.2 | ||||
| 185 | W | 28 | Very low | 36 | Very low | 215 Ų | 215 | 132.8 Ų | 132.8 | 81% | 0.814 | 74% | 0.738 | S | S | * | * | trans | -153.7 | 122.1 | 133.6 | 61.3 | -82.5 | 0 | 0 | 0 | 107.2 | ||||
| 186 | S | 28.1 | Very low | 34.7 | Very low | 120 Ų | 120 | 136.2 Ų | 136.2 | 84% | 0.839 | 74% | 0.744 | S | S | * | * | trans | -81.5 | 139 | 161.3 | -61.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 187 | S | 28.8 | Very low | 33.9 | Very low | 86 Ų | 86 | 139.9 Ų | 139.9 | 60% | 0.601 | 74% | 0.743 | S | S | * | * | 155 | 111.4 | 118.7 | -151.8 | 0 | 0 | 0 | 0 | 111 | |||||
| 188 | V | 28 | Very low | 33 | Very low | 114 Ų | 114 | 143.2 Ų | 143.2 | 69% | 0.691 | 75% | 0.747 | S | S | * | * | 55.4 | 129 | 121.5 | -178.3 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 189 | F | 27.1 | Very low | 32.6 | Very low | 190 Ų | 190 | 146.3 Ų | 146.3 | 83% | 0.833 | 75% | 0.75 | S | S | * | * | trans | 88.3 | 122.6 | 151.9 | -86.4 | -56.4 | 0 | 0 | 0 | 122.4 | ||||
| 190 | S | 30.1 | Very low | 32.2 | Very low | 91 Ų | 91 | 147 Ų | 147 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | trans | 73.1 | 111.9 | 133.6 | -71.4 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 191 | Q | 32.1 | Very low | 31.8 | Very low | 171 Ų | 171 | 148.8 Ų | 148.8 | 80% | 0.799 | 76% | 0.756 | S | S | * | * | 60.6 | 115.7 | 110.5 | -127.8 | 159.9 | 5.9 | 0 | 0 | 120.8 | |||||
| 192 | D | 26.5 | Very low | 31.7 | Very low | 135 Ų | 135 | 146 Ų | 146 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | trans | 91.9 | 137.9 | 132.6 | -108.6 | -34.1 | 0 | 0 | 0 | 123.3 | ||||
| 193 | I | 30.3 | Very low | 31.5 | Very low | 146 Ų | 146 | 151.5 Ų | 151.5 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | trans | 86.4 | 111.7 | 149.7 | -62.2 | 166 | 0 | 0 | 0 | 121.6 | ||||
| 194 | A | 30.7 | Very low | 31.4 | Very low | 78 Ų | 78 | 149.5 Ų | 149.5 | 65% | 0.645 | 77% | 0.768 | S | S | * | * | trans | 66.4 | 127.2 | 131.9 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 195 | N | 35.8 | Very low | 31.4 | Very low | 144 Ų | 144 | 147 Ų | 147 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | trans | 24.5 | 128.9 | 130.5 | -66.2 | -39.7 | 0 | 0 | 0 | 118.1 | ||||
| 196 | Q | 29 | Very low | 32.3 | Very low | 176 Ų | 176 | 142.8 Ų | 142.8 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | -177.3 | 126 | 114.5 | -89.4 | -99 | -13.8 | 0 | 0 | 110 | |||||
| 197 | Y | 36.4 | Very low | 33.1 | Very low | 208 Ų | 208 | 142.9 Ų | 142.9 | 82% | 0.816 | 76% | 0.762 | S | S | * | * | trans | -82.7 | 125.1 | 170.4 | -67.3 | -92 | 0 | 0 | 0 | 108.9 | ||||
| 198 | Q | 28 | Very low | 33.5 | Very low | 166 Ų | 166 | 148.3 Ų | 148.3 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | -149.8 | 108.9 | 157.4 | -161.9 | 159.2 | 2.8 | 0 | 0 | 110.6 | ||||
| 199 | W | 30.2 | Very low | 33.8 | Very low | 229 Ų | 229 | 148.7 Ų | 148.7 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | trans | -78.1 | 131.7 | 168 | -78.8 | 101.3 | 0 | 0 | 0 | 109.3 | ||||
| 200 | N | 35.8 | Very low | 34.1 | Very low | 147 Ų | 147 | 144.3 Ų | 144.3 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | trans | -136.4 | 118.7 | 154.6 | -92.2 | -13.9 | 0 | 0 | 0 | 110 | ||||
| 201 | I | 33.5 | Very low | 34.3 | Very low | 152 Ų | 152 | 144.4 Ų | 144.4 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | trans | -76.8 | 124.7 | 168.9 | -66.9 | -178.5 | 0 | 0 | 0 | 107.3 | ||||
| 202 | A | 33.7 | Very low | 34.2 | Very low | 92 Ų | 92 | 144.3 Ų | 144.3 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | trans | -134.1 | 109.8 | 160.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 203 | Q | 33.1 | Very low | 34.5 | Very low | 184 Ų | 184 | 148.8 Ų | 148.8 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | -66.2 | 135 | 168.6 | -62.5 | -166.3 | -20.7 | 0 | 0 | 109.3 | ||||
| 204 | V | 34.8 | Very low | 34.6 | Very low | 130 Ų | 130 | 147.3 Ų | 147.3 | 79% | 0.788 | 80% | 0.801 | S | S | * | * | trans | -137.9 | 135.1 | 159.4 | -176 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 205 | P | 40.3 | Very low | 34.6 | Very low | 112 Ų | 112 | 151.6 Ų | 151.6 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 146.1 | -173.8 | -2.8 | 21.6 | 0 | 0 | 0 | 111.8 | P207 | P205-P207 WeakPolarHBondContact O-CD 3.34Š|
| 206 | T | 46.2 | Very low | 34.5 | Very low | 128 Ų | 128 | 153.6 Ų | 153.6 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 134.1 | 160.7 | 45 | 0 | 0 | 0 | 0 | 111.4 | ||
| 207 | P | 45.1 | Very low | 35.1 | Very low | 121 Ų | 121 | 150.3 Ų | 150.3 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 127.9 | 150.1 | 30.9 | -25.9 | 0 | 0 | 0 | 110.5 | P205 | P205-P207 WeakPolarHBondContact O-CD 3.34Š|
| 208 | F | 36.1 | Very low | 34.7 | Very low | 200 Ų | 200 | 149.5 Ų | 149.5 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -46.2 | 136.9 | 160.8 | -95 | -111.5 | 0 | 0 | 0 | 111.4 | ||
| 209 | S | 36 | Very low | 34.9 | Very low | 122 Ų | 122 | 151.6 Ų | 151.6 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | trans | -119.3 | 104.6 | 154.1 | 58.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 210 | A | 33.3 | Very low | 35 | Very low | 98 Ų | 98 | 146.6 Ų | 146.6 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | trans | -78.7 | 132.4 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 211 | A | 32.7 | Very low | 34.9 | Very low | 93 Ų | 93 | 150.1 Ų | 150.1 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | trans | 179.3 | 142.8 | 156.8 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 212 | M | 31.1 | Very low | 35 | Very low | 170 Ų | 170 | 152.2 Ų | 152.2 | 84% | 0.837 | 82% | 0.819 | S | S | * | * | cis | -164.6 | 136.1 | -0.7 | -109 | -79.6 | 117.1 | 0 | 0 | 103.1 | S214 | M212-S214 PolarHBondContact O-N 3.48Å; M212-S214 VanDerWaalsContact O-N 3.14Å | ||
| 213 | Y | 32.5 | Very low | 34.9 | Very low | 228 Ų | 228 | 152.1 Ų | 152.1 | 89% | 0.894 | 82% | 0.818 | S | S | * | * | trans | -66 | 110.5 | 169.6 | -141.2 | -96.4 | 0 | 0 | 0 | 106.8 | ||||
| 214 | S | 32.4 | Very low | 35.2 | Very low | 115 Ų | 115 | 151.3 Ų | 151.3 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | -111 | 132.3 | 170.7 | -167.9 | 0 | 0 | 0 | 0 | 110 | M212 | M212-S214 PolarHBondContact O-N 3.48Å; M212-S214 VanDerWaalsContact O-N 3.14Å | ||
| 215 | Q | 30.8 | Very low | 35.2 | Very low | 168 Ų | 168 | 153 Ų | 153 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | trans | -73.4 | 156.5 | -161.4 | -58.6 | 177.5 | 27.2 | 0 | 0 | 112.4 | ||||
| 216 | Q | 32.9 | Very low | 35.3 | Very low | 186 Ų | 186 | 150.9 Ų | 150.9 | 87% | 0.869 | 82% | 0.823 | S | S | * | * | trans | -66.7 | 140.2 | 170 | -56.9 | -138.4 | -46.6 | 0 | 0 | 110.3 | E218 | Q216-E218 PolarHBondContact O-N 3.09Š| ||
| 217 | P | 41.2 | Very low | 34.8 | Very low | 108 Ų | 108 | 150.8 Ų | 150.8 | 70% | 0.701 | 83% | 0.827 | S | S | * | * | trans | -77.2 | 115.9 | 163 | 26.6 | -27 | 0 | 0 | 0 | 110.4 | ||||
| 218 | E | 28.6 | Very low | 34.2 | Very low | 190 Ų | 190 | 150 Ų | 150 | 89% | 0.888 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 126.8 | 153 | -86.7 | 175.6 | 94.7 | 0 | 0 | 109.7 | Q216 | Q216-E218 PolarHBondContact O-N 3.09Š|
| 219 | Y | 32 | Very low | 34.4 | Very low | 211 Ų | 211 | 151.2 Ų | 151.2 | 83% | 0.827 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 123.9 | 166.5 | -86.5 | -85.4 | 0 | 0 | 0 | 109.5 | ||
| 220 | P | 33.2 | Very low | 34.9 | Very low | 123 Ų | 123 | 153.6 Ų | 153.6 | 80% | 0.799 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 129.9 | 174.3 | -12.4 | 27.3 | 0 | 0 | 0 | 111.2 | ||
| 221 | Y | 32.8 | Very low | 35.2 | Very low | 221 Ų | 221 | 154.4 Ų | 154.4 | 87% | 0.867 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 134.6 | 166.5 | -110.8 | -93 | 0 | 0 | 0 | 110.4 | ||
| 222 | Q | 35.5 | Very low | 35.8 | Very low | 197 Ų | 197 | 155.7 Ų | 155.7 | 92% | 0.921 | 82% | 0.824 | S | S | * | * | trans | -123.1 | 119.3 | 151.8 | -85.2 | 175.6 | -13.5 | 0 | 0 | 108 | ||||
| 223 | A | 33.4 | Very low | 36 | Very low | 89 Ų | 89 | 151.1 Ų | 151.1 | 74% | 0.736 | 82% | 0.821 | S | S | * | * | trans | -91.4 | 134.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 224 | L | 38.4 | Very low | 36.3 | Very low | 167 Ų | 167 | 146.5 Ų | 146.5 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | trans | -140 | 122.5 | 157.3 | -93.9 | 161.9 | 0 | 0 | 0 | 106.9 | ||||
| 225 | D | 34.5 | Very low | 36.4 | Very low | 165 Ų | 165 | 145.8 Ų | 145.8 | 88% | 0.882 | 82% | 0.82 | S | S | * | * | S | Bend | trans | 76.6 | 135.6 | -179.5 | 85.6 | 22.1 | 0 | 0 | 0 | 118.3 | ||
| 226 | G | 42.6 | Very low | 36.9 | Very low | 69 Ų | 69 | 146.8 Ų | 146.8 | 71% | 0.711 | 83% | 0.827 | S | S | * | * | trans | -102.2 | 138.6 | -153.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 227 | S | 34.8 | Very low | 37 | Very low | 126 Ų | 126 | 147.5 Ų | 147.5 | 88% | 0.881 | 83% | 0.83 | S | S | * | * | trans | -169.9 | 130.3 | 131.6 | -85.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 228 | S | 34.5 | Very low | 36.6 | Very low | 103 Ų | 103 | 146.1 Ų | 146.1 | 72% | 0.72 | 84% | 0.836 | S | S | * | * | trans | -52.2 | 148.3 | 172.6 | -43.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 229 | Y | 38.4 | Very low | 36.7 | Very low | 226 Ų | 226 | 144.7 Ų | 144.7 | 89% | 0.886 | 83% | 0.834 | S | S | * | * | -178.8 | 113.3 | 124.5 | -93.3 | -69.8 | 0 | 0 | 0 | 109.2 | |||||
| 230 | L | 47.3 | Very low | 36.6 | Very low | 172 Ų | 172 | 141.3 Ų | 141.3 | 90% | 0.901 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 131.3 | 161.3 | -78.7 | 162.1 | 0 | 0 | 0 | 108.7 | ||
| 231 | P | 40.6 | Very low | 36.7 | Very low | 115 Ų | 115 | 140.9 Ų | 140.9 | 75% | 0.747 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 145.1 | 159.9 | 30.2 | -26.5 | 0 | 0 | 0 | 111.7 | ||
| 232 | P | 44.2 | Very low | 36.4 | Very low | 120 Ų | 120 | 139.4 Ų | 139.4 | 78% | 0.779 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 145.1 | -163.7 | 30.6 | -35.6 | 0 | 0 | 0 | 113.6 | ||
| 233 | G | 36.4 | Very low | 35.9 | Very low | 75 Ų | 75 | 138.2 Ų | 138.2 | 77% | 0.773 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 134.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 234 | P | 36.9 | Very low | 35.8 | Very low | 131 Ų | 131 | 142.4 Ų | 142.4 | 85% | 0.851 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 129.1 | 174.3 | 30.8 | -28.4 | 0 | 0 | 0 | 111.6 | ||
| 235 | A | 36.2 | Very low | 35.2 | Very low | 100 Ų | 100 | 141.4 Ų | 141.4 | 83% | 0.826 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 157.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 236 | M | 41.6 | Very low | 34.8 | Very low | 189 Ų | 189 | 137.9 Ų | 137.9 | 93% | 0.931 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 139.9 | 175.1 | -104.2 | -165.5 | 162 | 0 | 0 | 112.9 | ||
| 237 | E | 34.4 | Very low | 34 | Very low | 200 Ų | 200 | 140.5 Ų | 140.5 | 94% | 0.935 | 82% | 0.817 | S | S | * | * | 176.2 | 140.8 | 129.9 | -101.4 | -175.2 | 156.6 | 0 | 0 | 111.5 | |||||
| 238 | G | 32.8 | Very low | 33.8 | Very low | 79 Ų | 79 | 139.3 Ų | 139.3 | 81% | 0.814 | 81% | 0.814 | S | S | * | * | trans | 115.9 | 140.4 | 151.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 239 | N | 29.7 | Very low | 33.8 | Very low | 160 Ų | 160 | 139.8 Ų | 139.8 | 86% | 0.856 | 82% | 0.815 | S | S | * | * | trans | -86.7 | 161.4 | -163.1 | -72.7 | -19.8 | 0 | 0 | 0 | 116.1 | ||||
| 240 | T | 29.9 | Very low | 33.5 | Very low | 141 Ų | 141 | 136.9 Ų | 136.9 | 87% | 0.865 | 81% | 0.809 | S | S | * | * | trans | 88 | 139.8 | 157.1 | 26.9 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 241 | P | 35.5 | Very low | 32.6 | Very low | 114 Ų | 114 | 137.7 Ų | 137.7 | 74% | 0.74 | 81% | 0.806 | S | S | * | * | trans | -106.4 | 150.5 | -147.6 | 39.3 | -30.9 | 0 | 0 | 0 | 113.9 | ||||
| 242 | E | 26.1 | Very low | 32.1 | Very low | 190 Ų | 190 | 143.5 Ų | 143.5 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | trans | -146 | 129.1 | 156.5 | -90 | -147 | 126.8 | 0 | 0 | 112.9 | ||||
| 243 | F | 25.2 | Very low | 31.6 | Very low | 172 Ų | 172 | 143.3 Ų | 143.3 | 75% | 0.754 | 82% | 0.816 | S | S | * | * | trans | 34 | 114.2 | 146.9 | -124.8 | -102.2 | 0 | 0 | 0 | 119.7 | E245 | F243-E245 HydrophobicContact CE1-CB 4.47Š| ||
| 244 | L | 31.6 | Very low | 31.3 | Very low | 177 Ų | 177 | 142.5 Ų | 142.5 | 93% | 0.927 | 81% | 0.808 | S | S | * | * | trans | -133.4 | 121.8 | 146.9 | -134.1 | 116.2 | 0 | 0 | 0 | 110.5 | ||||
| 245 | E | 25.8 | Very low | 31.7 | Very low | 146 Ų | 146 | 145.7 Ų | 145.7 | 68% | 0.682 | 81% | 0.814 | S | S | * | * | trans | -82.3 | 158.9 | 169.7 | -179.3 | 155.6 | 126.2 | 0 | 0 | 110.8 | F243 | F243-E245 HydrophobicContact CE1-CB 4.47Š| ||
| 246 | S | 26.8 | Very low | 31.9 | Very low | 91 Ų | 91 | 146.2 Ų | 146.2 | 64% | 0.636 | 81% | 0.807 | S | S | * | * | trans | 92.8 | 109.5 | 154.8 | -97.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 247 | T | 25.4 | Very low | 31.6 | Very low | 124 Ų | 124 | 143.4 Ų | 143.4 | 76% | 0.761 | 80% | 0.803 | S | S | * | * | 72.2 | 97 | 118.6 | -52.9 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 248 | A | 29.5 | Very low | 31.9 | Very low | 100 Ų | 100 | 140.8 Ų | 140.8 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | trans | -104.8 | 129.1 | 153.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 249 | P | 35 | Very low | 32.1 | Very low | 113 Ų | 113 | 141.1 Ų | 141.1 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | -86.3 | 165 | 171.5 | 34.3 | -30.9 | 0 | 0 | 0 | 112.4 | ||||
| 250 | H | 33.5 | Very low | 32.6 | Very low | 165 Ų | 165 | 141.2 Ų | 141.2 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | trans | -48 | 146.9 | -177 | -57.5 | -89.3 | 0 | 0 | 0 | 116.8 | ||||
| 251 | F | 27.5 | Very low | 33.1 | Very low | 189 Ų | 189 | 142.9 Ų | 142.9 | 83% | 0.829 | 79% | 0.786 | S | S | * | * | 157.3 | 122.1 | 108.8 | -94 | -80 | 0 | 0 | 0 | 110 | |||||
| 252 | Y | 30.3 | Very low | 33.1 | Very low | 238 Ų | 238 | 145.8 Ų | 145.8 | 93% | 0.933 | 79% | 0.79 | S | S | * | * | trans | -148 | 120.7 | 141.2 | -114.1 | -82.8 | 0 | 0 | 0 | 110.1 | ||||
| 253 | S | 33 | Very low | 33.4 | Very low | 115 Ų | 115 | 143 Ų | 143 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -80.3 | 138.1 | 164.5 | 175.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 254 | G | 31.7 | Very low | 34.3 | Very low | 59 Ų | 59 | 139.7 Ų | 139.7 | 61% | 0.608 | 78% | 0.777 | S | S | * | * | trans | 162.2 | 107.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113 | T256 | G254-T256 PolarHBondContact O-N 2.79Š| ||
| 255 | M | 43.8 | Very low | 34.8 | Very low | 197 Ų | 197 | 142.2 Ų | 142.2 | 97% | 0.97 | 77% | 0.774 | S | S | * | * | trans | -56.5 | 114.8 | 174 | -72.3 | 155.9 | 67.9 | 0 | 0 | 110.6 | ||||
| 256 | T | 39.8 | Very low | 35.4 | Very low | 111 Ų | 111 | 144.4 Ų | 144.4 | 68% | 0.681 | 78% | 0.784 | S | S | * | * | trans | -134.6 | 135 | 163.1 | 55.2 | 0 | 0 | 0 | 0 | 109.5 | G254 I258 | G254-T256 PolarHBondContact O-N 2.79Å; T256-I258 PolarHBondContact O-N 3.48Å | ||
| 257 | P | 36.4 | Very low | 35.6 | Very low | 130 Ų | 130 | 146 Ų | 146 | 84% | 0.844 | 80% | 0.795 | S | S | * | * | trans | -72.4 | 117.3 | 169.1 | 28.2 | -30.8 | 0 | 0 | 0 | 109.1 | A259 | P257-A259 PolarHBondContact O-N 3.11Š| ||
| 258 | I | 41.5 | Very low | 36.4 | Very low | 145 Ų | 145 | 148.5 Ų | 148.5 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | trans | -81.8 | 100.8 | 169.5 | -62 | 173.7 | 0 | 0 | 0 | 107.6 | T256 L260 | T256-I258 PolarHBondContact O-N 3.48Å; I258-L260 HydrophobicContact CG2-CD2 4.42Å; I258-L260 HydrophobicContact CG2-CG 4.25Å; I258-L260 PolarHBondContact O-N 3.46Å | ||
| 259 | A | 35.8 | Very low | 36.8 | Very low | 86 Ų | 86 | 151.1 Ų | 151.1 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | trans | -76.8 | 107.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | P257 Q261 | P257-A259 PolarHBondContact O-N 3.11Å; A259-Q261 VanDerWaalsContact C-N 3.34Å; A259-Q261 PolarHBondContact O-N 3.07Å | ||
| 260 | L | 40.1 | Very low | 36.8 | Very low | 162 Ų | 162 | 155.3 Ų | 155.3 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | trans | -74.2 | 92 | 169 | -79.1 | 171.1 | 0 | 0 | 0 | 108.9 | I258 H262 | I258-L260 HydrophobicContact CG2-CD2 4.42Å; I258-L260 HydrophobicContact CG2-CG 4.25Å; I258-L260 PolarHBondContact O-N 3.46Å; L260-H262 PolarHBondContact O-N 3.24Å | ||
| 261 | Q | 41.3 | Very low | 37.1 | Very low | 177 Ų | 177 | 153.2 Ų | 153.2 | 83% | 0.827 | 81% | 0.806 | S | S | * | * | trans | -74.3 | 104.2 | 166.3 | -164.6 | 80.3 | 16.1 | 0 | 0 | 107.8 | A259 D263 | A259-Q261 VanDerWaalsContact C-N 3.34Å; A259-Q261 PolarHBondContact O-N 3.07Å; Q261-D263 PolarHBondContact O-N 2.65Å | ||
| 262 | H | 36 | Very low | 37.7 | Very low | 175 Ų | 175 | 155.8 Ų | 155.8 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | trans | -79.6 | 106 | 172.8 | -148.9 | -66.9 | 0 | 0 | 0 | 108.5 | L260 | L260-H262 PolarHBondContact O-N 3.24Š| ||
| 263 | D | 31.1 | Very low | 38 | Very low | 132 Ų | 132 | 150.5 Ų | 150.5 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | trans | -74.7 | 128.1 | 172.5 | -152.5 | -22.9 | 0 | 0 | 0 | 109.2 | Q261 R265 | Q261-D263 PolarHBondContact O-N 2.65Å; D263-R265 PolarHBondContact O-N 2.77Å | ||
| 264 | P | 44.7 | Very low | 38.6 | Very low | 102 Ų | 102 | 156.1 Ų | 156.1 | 66% | 0.662 | 81% | 0.811 | S | S | * | * | trans | -98.2 | 77.3 | -178.9 | 36.5 | -29.3 | 0 | 0 | 0 | 109.8 | ||||
| 265 | R | 41.4 | Very low | 39 | Very low | 230 Ų | 230 | 159.8 Ų | 159.8 | 87% | 0.868 | 82% | 0.822 | S | S | * | * | trans | -163.6 | 131.6 | 156.9 | -100.7 | 138.6 | -162.8 | -137 | 7.5 | 111 | D263 | D263-R265 PolarHBondContact O-N 2.77Š| ||
| 266 | E | 38.9 | Very low | 39.2 | Very low | 191 Ų | 191 | 157.5 Ų | 157.5 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | trans | 79.9 | 91.2 | 172.5 | -57.8 | -159.5 | 150.1 | 0 | 0 | 118.4 | ||||
| 267 | S | 31.5 | Very low | 39.5 | Very low | 125 Ų | 125 | 159.9 Ų | 159.9 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | trans | -141.5 | 88.7 | 133.7 | 52.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 268 | Q | 41.3 | Very low | 40.3 | Very low | 176 Ų | 176 | 161.7 Ų | 161.7 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | -71.9 | 115.3 | 155.1 | -75.6 | -80.7 | 4.7 | 0 | 0 | 106.7 | ||||
| 269 | L | 37.8 | Very low | 40.3 | Very low | 156 Ų | 156 | 160.7 Ų | 160.7 | 82% | 0.817 | 81% | 0.814 | S | S | * | * | trans | -177.5 | 71.9 | 152.4 | -99.7 | 168.2 | 0 | 0 | 0 | 110 | ||||
| 270 | F | 35.7 | Very low | 40.4 | Very low | 200 Ų | 200 | 168 Ų | 168 | 88% | 0.877 | 82% | 0.823 | S | S | * | * | trans | -149.5 | 134.3 | 151.4 | -74.6 | -68.4 | 0 | 0 | 0 | 109.7 | ||||
| 271 | P | 39.1 | Very low | 40.4 | Very low | 122 Ų | 122 | 169.2 Ų | 169.2 | 79% | 0.792 | 82% | 0.824 | S | S | * | * | trans | -71.9 | 142.1 | -178.2 | 28.9 | -31.9 | 0 | 0 | 0 | 111.3 | S273 | P271-S273 PolarHBondContact O-N 2.78Š| ||
| 272 | R | 41.4 | Very low | 40.5 | Very low | 243 Ų | 243 | 172.4 Ų | 172.4 | 92% | 0.917 | 83% | 0.828 | S | S | * | * | trans | -65.7 | 111.3 | 175.1 | -75 | 177 | 164.2 | 167.6 | -3.5 | 110.5 | R274 | R272-R274 PolarHBondContact O-N 3.24Š| ||
| 273 | S | 35.8 | Very low | 40.5 | Very low | 127 Ų | 127 | 175 Ų | 175 | 89% | 0.888 | 83% | 0.831 | S | S | * | * | trans | -77.6 | 102.7 | 161.1 | 57.4 | 0 | 0 | 0 | 0 | 109.2 | P271 | P271-S273 PolarHBondContact O-N 2.78Š| ||
| 274 | R | 46 | Very low | 40.7 | Very low | 232 Ų | 232 | 178.7 Ų | 178.7 | 88% | 0.875 | 84% | 0.836 | S | S | * | * | trans | -111.9 | 87.7 | 174.5 | -155.9 | -171.2 | -159.3 | -162.3 | 5.9 | 108 | R272 | R272-R274 PolarHBondContact O-N 3.24Š| ||
| 275 | V | 39.2 | Very low | 40.6 | Very low | 137 Ų | 137 | 179.9 Ų | 179.9 | 83% | 0.83 | 84% | 0.842 | S | S | * | * | trans | -137 | 118.2 | 153.2 | -171.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 276 | H | 48.8 | Very low | 40.4 | Very low | 148 Ų | 148 | 176.3 Ų | 176.3 | 69% | 0.685 | 84% | 0.835 | S | S | * | * | trans | -79.4 | 114.3 | 179.8 | -175.1 | 98.7 | 0 | 0 | 0 | 109.4 | ||||
| 277 | L | 45.2 | Very low | 40.8 | Very low | 161 Ų | 161 | 171.6 Ų | 171.6 | 84% | 0.843 | 82% | 0.821 | S | S | * | * | trans | -134.8 | 108.1 | 161 | -78 | 170.9 | 0 | 0 | 0 | 109.9 | ||||
| 278 | K | 54.4 | Low | 41 | Very low | 169 Ų | 169 | 174.4 Ų | 174.4 | 74% | 0.735 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -57 | 138.5 | 176.1 | -69.3 | 167.3 | 173.3 | 172.2 | 0 | 111.5 | ||
| 279 | P | 40 | Very low | 40.7 | Very low | 124 Ų | 124 | 171.8 Ų | 171.8 | 81% | 0.805 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 122.5 | 153.5 | -7.9 | 26.2 | 0 | 0 | 0 | 109.3 | ||
| 280 | R | 39.5 | Very low | 40.8 | Very low | 238 Ų | 238 | 174.7 Ų | 174.7 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 139.4 | 176.9 | -72.5 | 175.7 | 162.2 | 175.9 | -5.6 | 112 | R282 | R280-R282 PolarHBondContact O-N 3.12Å; R280-R282 VanDerWaalsContact O-N 3.12Å |
| 281 | H | 38.8 | Very low | 40.9 | Very low | 189 Ų | 189 | 175.2 Ų | 175.2 | 88% | 0.875 | 81% | 0.808 | S | S | * | * | trans | -46.2 | 115.1 | 162.1 | -85.9 | 22.6 | 0 | 0 | 0 | 110.5 | ||||
| 282 | R | 42.9 | Very low | 41.1 | Very low | 243 Ų | 243 | 178.3 Ų | 178.3 | 92% | 0.917 | 81% | 0.812 | S | S | * | * | trans | -102.5 | 104.9 | 160.4 | -153.2 | 172.4 | 172.8 | -175.1 | -3.5 | 106.1 | R280 Y284 | R280-R282 PolarHBondContact O-N 3.12Å; R280-R282 VanDerWaalsContact O-N 3.12Å; R282-Y284 PolarHBondContact O-N 3.24Å | ||
| 283 | R | 38 | Very low | 41.3 | Very low | 230 Ų | 230 | 173.5 Ų | 173.5 | 87% | 0.868 | 80% | 0.803 | S | S | * | * | trans | -56.6 | 121.3 | 175.1 | -64.1 | -178.2 | -171.2 | 173.3 | 2.2 | 107.9 | ||||
| 284 | Y | 33.4 | Very low | 41.7 | Very low | 209 Ų | 209 | 173 Ų | 173 | 82% | 0.82 | 80% | 0.797 | S | S | * | * | trans | -98.7 | 109.3 | 164.4 | -162.3 | -94 | 0 | 0 | 0 | 106.4 | R282 H286 | R282-Y284 PolarHBondContact O-N 3.24Å; Y284-H286 HydrophobicContact CE1-CB 4.03Å | ||
| 285 | T | 43.1 | Very low | 41.2 | Very low | 128 Ų | 128 | 170.5 Ų | 170.5 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | trans | -109.6 | 126.5 | 169.1 | 43.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 286 | H | 37 | Very low | 42 | Very low | 155 Ų | 155 | 169.1 Ų | 169.1 | 72% | 0.718 | 79% | 0.789 | S | S | * | * | trans | -154.9 | 161 | 166.6 | -165 | -102.9 | 0 | 0 | 0 | 106.3 | Y284 | Y284-H286 HydrophobicContact CE1-CB 4.03Š| ||
| 287 | P | 47.9 | Very low | 41.6 | Very low | 91 Ų | 91 | 167.5 Ų | 167.5 | 59% | 0.591 | 79% | 0.79 | S | S | * | * | cis | -113.4 | 165.5 | -17.5 | 9.1 | 13.2 | 0 | 0 | 0 | 111.8 | ||||
| 288 | K | 34.8 | Very low | 41.2 | Very low | 184 Ų | 184 | 168.1 Ų | 168.1 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | trans | -162.3 | 126.6 | 132.4 | -79.7 | -151.1 | -179.9 | 177.9 | 0 | 109.3 | ||||
| 289 | D | 35.4 | Very low | 41.2 | Very low | 121 Ų | 121 | 165.5 Ų | 165.5 | 65% | 0.647 | 79% | 0.791 | S | S | * | * | trans | 50.4 | 118.8 | 140 | -40.4 | -33.6 | 0 | 0 | 0 | 116.2 | ||||
| 290 | Y | 39.5 | Very low | 42.1 | Very low | 218 Ų | 218 | 165 Ų | 165 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | -155 | 136.6 | 74.2 | -90.5 | -90.4 | 0 | 0 | 0 | 111.9 | H292 | Y290-H292 PolarHBondContact O-N 3.22Š| |||
| 291 | Y | 38 | Very low | 42.1 | Very low | 210 Ų | 210 | 160.9 Ų | 160.9 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | trans | -56.7 | 126.8 | 153.1 | -74.1 | -99.7 | 0 | 0 | 0 | 109.2 | ||||
| 292 | H | 43.7 | Very low | 42.3 | Very low | 188 Ų | 188 | 156.2 Ų | 156.2 | 87% | 0.87 | 78% | 0.778 | S | S | * | * | trans | -107.4 | 96 | 151.6 | -102.7 | -65.9 | 0 | 0 | 0 | 107.5 | Y290 | Y290-H292 PolarHBondContact O-N 3.22Š| ||
| 293 | L | 46.5 | Very low | 42.3 | Very low | 141 Ų | 141 | 149 Ų | 149 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 146.3 | 153.6 | -88 | 151.9 | 0 | 0 | 0 | 108.2 | ||
| 294 | P | 43.2 | Very low | 42.6 | Very low | 117 Ų | 117 | 142.9 Ų | 142.9 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 125.6 | 173.2 | 30.2 | -29.5 | 0 | 0 | 0 | 109.3 | ||
| 295 | E | 36.8 | Very low | 43 | Very low | 180 Ų | 180 | 142.4 Ų | 142.4 | 84% | 0.841 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 139.6 | 168.4 | -110.1 | -159.5 | 162.4 | 0 | 0 | 110.9 | ||
| 296 | P | 56.1 | Low | 43.5 | Very low | 107 Ų | 107 | 141 Ų | 141 | 70% | 0.695 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 132.6 | 171.9 | 35.8 | -26.8 | 0 | 0 | 0 | 110.3 | ||
| 297 | T | 39.8 | Very low | 43.9 | Very low | 115 Ų | 115 | 142.5 Ų | 142.5 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | trans | 161.6 | 145.7 | 162.1 | 26.7 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 298 | E | 37.2 | Very low | 43.9 | Very low | 173 Ų | 173 | 147.4 Ų | 147.4 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | cis | -166.7 | 145.1 | -11.8 | -116.5 | 175.3 | 167.2 | 0 | 0 | 102.9 | ||||
| 299 | S | 54.4 | Low | 45.3 | Very low | 114 Ų | 114 | 142.6 Ų | 142.6 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | trans | -81.5 | 134.8 | 171.8 | 150.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 300 | P | 57.5 | Low | 46.3 | Very low | 115 Ų | 115 | 142.6 Ų | 142.6 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | trans | -102 | 112.9 | 153.9 | 32.8 | -21.8 | 0 | 0 | 0 | 107.9 | ||||
| 301 | D | 40.9 | Very low | 46.9 | Very low | 150 Ų | 150 | 144.1 Ų | 144.1 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | 78.3 | 106.8 | 78.4 | -160.1 | 14.5 | 0 | 0 | 0 | 112 | |||||
| 302 | A | 43 | Very low | 47.9 | Very low | 92 Ų | 92 | 141.2 Ų | 141.2 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | trans | -176.1 | 93 | 141.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 303 | A | 43.1 | Very low | 48.5 | Very low | 91 Ų | 91 | 139.3 Ų | 139.3 | 75% | 0.752 | 82% | 0.824 | S | S | * | * | trans | 56.7 | 109.8 | 132 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 304 | A | 43.9 | Very low | 48.6 | Very low | 101 Ų | 101 | 139.2 Ų | 139.2 | 84% | 0.835 | 83% | 0.828 | S | S | * | * | -177.9 | 108.4 | 108.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 305 | F | 41.8 | Very low | 48.8 | Very low | 200 Ų | 200 | 140.4 Ų | 140.4 | 88% | 0.877 | 83% | 0.832 | S | S | * | * | trans | -59.1 | 175.8 | 159.2 | -74.8 | -76.9 | 0 | 0 | 0 | 112.3 | ||||
| 306 | P | 53.2 | Low | 49.5 | Very low | 97 Ų | 97 | 138.2 Ų | 138.2 | 63% | 0.63 | 83% | 0.832 | S | S | * | * | cis | -144.8 | -178.9 | -26.8 | 35.7 | -15 | 0 | 0 | 0 | 116.2 | ||||
| 307 | F | 44.6 | Very low | 49.1 | Very low | 187 Ų | 187 | 140 Ų | 140 | 82% | 0.82 | 84% | 0.84 | S | S | * | * | trans | 64.4 | 106.5 | 147.6 | -79.8 | -70.5 | 0 | 0 | 0 | 121.4 | ||||
| 308 | H | 47.9 | Very low | 49.7 | Very low | 194 Ų | 194 | 141.6 Ų | 141.6 | 90% | 0.898 | 85% | 0.848 | S | S | * | * | -153.5 | 133.8 | 119.3 | -119.9 | 49.2 | 0 | 0 | 0 | 112.7 | |||||
| 309 | A | 64 | Low | 50.5 | Low | 83 Ų | 83 | 139.5 Ų | 139.5 | 69% | 0.686 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -74 | 160.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 310 | P | 57.8 | Low | 50.3 | Low | 122 Ų | 122 | 141.3 Ų | 141.3 | 79% | 0.792 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 129.4 | 167 | 33.3 | -27.3 | 0 | 0 | 0 | 110.2 | ||
| 311 | R | 51.6 | Low | 49.7 | Very low | 250 Ų | 250 | 143.3 Ų | 143.3 | 94% | 0.943 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 121 | 167.6 | -143.9 | 180 | -169.8 | -156.8 | 2.7 | 107.8 | ||
| 312 | V | 58.9 | Low | 50.4 | Low | 149 Ų | 149 | 142.8 Ų | 142.8 | 90% | 0.903 | 87% | 0.868 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 130.4 | 162.9 | 179.4 | 0 | 0 | 0 | 0 | 107.1 | ||
| 313 | G | 55.5 | Low | 51.1 | Low | 147 Ų | 147 | 147.4 Ų | 147.4 | 100% | 1.515 | 88% | 0.877 | S | S | * | * | trans | 160.7 | 0 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.3 |
Retrieved 313 of 313 residues in 213.2 ms
(Link to these results)