| 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 | 31.2 | Very low | 28.1 | Very low | 233 Ų | 233 | 153.7 Ų | 153.7 | 100% | 1.148 | 87% | 0.869 | S | S | * | * | 0 | 143.5 | 0 | -91.3 | 174.6 | 124 | 0 | 0 | 109.4 | |||||
| 2 | K | 34.4 | Very low | 27.6 | Very low | 203 Ų | 203 | 152.2 Ų | 152.2 | 88% | 0.883 | 86% | 0.855 | S | S | * | * | trans | 80.9 | 89.8 | 166 | -62.9 | -179.6 | 180 | -179.3 | 0 | 117.9 | ||||
| 3 | S | 26 | Very low | 27.1 | Very low | 122 Ų | 122 | 158.7 Ų | 158.7 | 85% | 0.853 | 86% | 0.858 | S | S | * | * | trans | -68 | 137.5 | 145.7 | -49 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 4 | C | 29 | Very low | 26.8 | Very low | 134 Ų | 134 | 156.1 Ų | 156.1 | 91% | 0.905 | 84% | 0.842 | S | S | * | * | trans | -161.2 | 133.5 | 134.4 | -128.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 5 | W | 25.1 | Very low | 26.4 | Very low | 250 Ų | 250 | 152.1 Ų | 152.1 | 95% | 0.947 | 83% | 0.83 | S | S | * | * | trans | -62.5 | 152.2 | 179.1 | -83 | -13.7 | 0 | 0 | 0 | 114.4 | ||||
| 6 | G | 29.5 | Very low | 26.2 | Very low | 82 Ų | 82 | 152.4 Ų | 152.4 | 85% | 0.845 | 83% | 0.83 | S | S | * | * | trans | -159.3 | 70.7 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 7 | L | 26.7 | Very low | 26 | Very low | 132 Ų | 132 | 156.2 Ų | 156.2 | 69% | 0.691 | 83% | 0.831 | S | S | * | * | trans | -73.4 | 152.8 | 164.8 | -116.2 | 115.1 | 0 | 0 | 0 | 109.4 | ||||
| 8 | F | 28.2 | Very low | 25.8 | Very low | 201 Ų | 201 | 157.6 Ų | 157.6 | 88% | 0.882 | 83% | 0.832 | S | S | * | * | trans | 86.3 | 96.1 | 173.6 | -62.2 | -81.4 | 0 | 0 | 0 | 117.3 | ||||
| 9 | G | 25.9 | Very low | 26.1 | Very low | 75 Ų | 75 | 161.6 Ų | 161.6 | 77% | 0.773 | 84% | 0.835 | S | S | * | * | trans | -171.3 | 32.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | A11 | G9-A11 PolarHBondContact O-N 3.33Š| ||
| 10 | L | 27.2 | Very low | 26.4 | Very low | 168 Ų | 168 | 158 Ų | 158 | 88% | 0.88 | 82% | 0.822 | S | S | * | * | trans | -77.4 | 73.9 | 168.9 | -114.9 | 157 | 0 | 0 | 0 | 108.2 | L12 | L10-L12 VanDerWaalsContact C-N 3.33Å; L10-L12 PolarHBondContact O-N 2.96Å | ||
| 11 | A | 25.6 | Very low | 26.4 | Very low | 91 Ų | 91 | 158.3 Ų | 158.3 | 75% | 0.752 | 83% | 0.825 | S | S | * | * | trans | -73.3 | 90.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | G9 R13 | G9-A11 PolarHBondContact O-N 3.33Å; A11-R13 PolarHBondContact O-N 3.1Å | ||
| 12 | L | 22.4 | Very low | 26.2 | Very low | 135 Ų | 135 | 151 Ų | 151 | 71% | 0.707 | 81% | 0.81 | S | S | * | * | trans | -69.6 | 81.8 | 171 | -145 | 116.2 | 0 | 0 | 0 | 108.2 | L10 I14 | L10-L12 VanDerWaalsContact C-N 3.33Å; L10-L12 PolarHBondContact O-N 2.96Å; L12-I14 VanDerWaalsContact C-N 3.3Å; L12-I14 HydrophobicContact CD2-CD1 3.5Å; L12-I14 HydrophobicContact CD2-CG1 3.53Å; L12-I14 PolarHBondContact O-N 3.02Å | ||
| 13 | R | 20.8 | Very low | 25.6 | Very low | 237 Ų | 237 | 148.7 Ų | 148.7 | 89% | 0.894 | 81% | 0.806 | S | S | * | * | trans | -83.2 | 78.8 | 177.6 | -154.4 | 177.2 | -167.1 | -177.2 | 3.5 | 108.6 | A11 S15 | A11-R13 PolarHBondContact O-N 3.1Å; R13-S15 VanDerWaalsContact C-N 3.31Å; R13-S15 PolarHBondContact O-N 3.29Å | ||
| 14 | I | 23.2 | Very low | 25.5 | Very low | 122 Ų | 122 | 151.1 Ų | 151.1 | 63% | 0.626 | 81% | 0.808 | S | S | * | * | trans | -68.8 | 93.6 | 166.7 | -56.6 | 173.7 | 0 | 0 | 0 | 106.6 | L12 L16 | L12-I14 VanDerWaalsContact C-N 3.3Å; L12-I14 HydrophobicContact CD2-CD1 3.5Å; L12-I14 HydrophobicContact CD2-CG1 3.53Å; L12-I14 PolarHBondContact O-N 3.02Å; I14-L16 HydrophobicContact CG2-CD2 4.43Å; I14-L16 HydrophobicContact CG2-CG 4.03Å; I14-L16 PolarHBondContact O-N 2.95Å | ||
| 15 | S | 20.5 | Very low | 25.1 | Very low | 96 Ų | 96 | 152.9 Ų | 152.9 | 67% | 0.671 | 80% | 0.801 | S | S | * | * | trans | -85.2 | 92.3 | 167.9 | -142.6 | 0 | 0 | 0 | 0 | 107.2 | R13 Y17 | R13-S15 VanDerWaalsContact C-N 3.31Å; R13-S15 PolarHBondContact O-N 3.29Å; S15-Y17 PolarHBondContact O-N 2.93Å; S15-Y17 VanDerWaalsContact O-N 3.08Å | ||
| 16 | L | 23.5 | Very low | 25 | Very low | 157 Ų | 157 | 146.8 Ų | 146.8 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | -62.2 | 104.2 | 167 | -74 | 161.6 | 0 | 0 | 0 | 107.6 | I14 E18 | I14-L16 HydrophobicContact CG2-CD2 4.43Å; I14-L16 HydrophobicContact CG2-CG 4.03Å; I14-L16 PolarHBondContact O-N 2.95Å; L16-E18 PolarHBondContact O-N 2.6Å | ||
| 17 | Y | 23.2 | Very low | 24.5 | Very low | 218 Ų | 218 | 150.6 Ų | 150.6 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | trans | -84.8 | 107.6 | 167.1 | -127.8 | -88.8 | 0 | 0 | 0 | 107.9 | S15 | S15-Y17 PolarHBondContact O-N 2.93Å; S15-Y17 VanDerWaalsContact O-N 3.08Å | ||
| 18 | E | 22.8 | Very low | 24.3 | Very low | 180 Ų | 180 | 149.8 Ų | 149.8 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | trans | -73.4 | 128.3 | 172.7 | -168.1 | 173.8 | -164.3 | 0 | 0 | 109.4 | L16 | L16-E18 PolarHBondContact O-N 2.6Š| ||
| 19 | R | 30.7 | Very low | 24 | Very low | 234 Ų | 234 | 149.4 Ų | 149.4 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | trans | -145.8 | 151.3 | 158.3 | -110.6 | -131.8 | 169.7 | 136.4 | 0.1 | 111.6 | ||||
| 20 | P | 32.4 | Very low | 24 | Very low | 90 Ų | 90 | 152.6 Ų | 152.6 | 58% | 0.584 | 79% | 0.793 | S | S | * | * | trans | -112.8 | 159.1 | -142.3 | 36.3 | -23.2 | 0 | 0 | 0 | 113.6 | ||||
| 21 | N | 25.1 | Very low | 23.9 | Very low | 165 Ų | 165 | 151.4 Ų | 151.4 | 88% | 0.882 | 79% | 0.788 | S | S | * | * | trans | 68.4 | 115.3 | 155.1 | -57.5 | -19.9 | 0 | 0 | 0 | 117.9 | ||||
| 22 | G | 27.5 | Very low | 23.8 | Very low | 80 Ų | 80 | 158.7 Ų | 158.7 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | 162.2 | 58.3 | 162.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | L24 | G22-L24 PolarHBondContact O-N 3.19Š| ||
| 23 | L | 21.9 | Very low | 24 | Very low | 154 Ų | 154 | 156.5 Ų | 156.5 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | trans | -58.9 | 123.6 | 173.7 | -141.3 | 156.8 | 0 | 0 | 0 | 110.7 | K25 | L23-K25 HydrophobicContact CD2-CG 4.48Š| ||
| 24 | L | 24.4 | Very low | 24.1 | Very low | 172 Ų | 172 | 149.5 Ų | 149.5 | 90% | 0.901 | 79% | 0.785 | S | S | * | * | trans | -152.9 | 110 | 147.8 | -102.4 | 170.7 | 0 | 0 | 0 | 110.1 | G22 | G22-L24 PolarHBondContact O-N 3.19Š| ||
| 25 | K | 20.5 | Very low | 24.3 | Very low | 172 Ų | 172 | 150.2 Ų | 150.2 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | -60.3 | 137.6 | 167.6 | -74.3 | 168.5 | 170.2 | 173.7 | 0 | 109.9 | L23 | L23-K25 HydrophobicContact CD2-CG 4.48Š| ||
| 26 | S | 22.3 | Very low | 24.5 | Very low | 122 Ų | 122 | 153.2 Ų | 153.2 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | trans | -139.7 | 118.1 | 147.6 | -173.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 27 | F | 20.5 | Very low | 24.7 | Very low | 161 Ų | 161 | 154.4 Ų | 154.4 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | trans | -65.2 | 142.3 | 166.9 | -88.5 | -116.6 | 0 | 0 | 0 | 110.2 | ||||
| 28 | S | 22.5 | Very low | 24.7 | Very low | 115 Ų | 115 | 151.2 Ų | 151.2 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | -164 | 137.3 | 127.6 | 57.2 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 29 | Y | 21.2 | Very low | 24.9 | Very low | 194 Ų | 194 | 151.1 Ų | 151.1 | 76% | 0.761 | 79% | 0.791 | S | S | * | * | trans | -63 | 136.7 | 178.6 | -84.6 | -114.3 | 0 | 0 | 0 | 111.7 | ||||
| 30 | V | 26.7 | Very low | 24.6 | Very low | 141 Ų | 141 | 145.3 Ų | 145.3 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | trans | -117.4 | 110.7 | 152.6 | -178 | 0 | 0 | 0 | 0 | 107.4 | R32 | V30-R32 PolarHBondContact O-N 3.01Š| ||
| 31 | N | 23.3 | Very low | 24.1 | Very low | 143 Ų | 143 | 149 Ų | 149 | 77% | 0.765 | 79% | 0.794 | S | S | * | * | trans | -52.2 | 119 | 178.6 | -82 | -42.4 | 0 | 0 | 0 | 110.9 | A33 | N31-A33 VanDerWaalsContact C-N 3.34Å; N31-A33 PolarHBondContact O-N 3.02Å | ||
| 32 | R | 25.3 | Very low | 24.1 | Very low | 245 Ų | 245 | 148.8 Ų | 148.8 | 93% | 0.925 | 79% | 0.788 | S | S | * | * | trans | -75.1 | 91.3 | 166.1 | -167 | 174.5 | -165.4 | 157.9 | 3.2 | 107.5 | V30 S34 | V30-R32 PolarHBondContact O-N 3.01Å; R32-S34 PolarHBondContact O-N 2.88Å; R32-S34 VanDerWaalsContact O-N 3.16Å | ||
| 33 | A | 24.8 | Very low | 24 | Very low | 89 Ų | 89 | 152.8 Ų | 152.8 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | trans | -56.5 | 120.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | N31 T35 | N31-A33 VanDerWaalsContact C-N 3.34Å; N31-A33 PolarHBondContact O-N 3.02Å; A33-T35 PolarHBondContact O-N 2.97Å | ||
| 34 | S | 24.2 | Very low | 24.4 | Very low | 90 Ų | 90 | 153.1 Ų | 153.1 | 63% | 0.629 | 79% | 0.791 | S | S | * | * | trans | -60.9 | 120.2 | 178.1 | -179.2 | 0 | 0 | 0 | 0 | 110.6 | R32 | R32-S34 PolarHBondContact O-N 2.88Å; R32-S34 VanDerWaalsContact O-N 3.16Å | ||
| 35 | T | 26 | Very low | 24.3 | Very low | 136 Ų | 136 | 155.4 Ų | 155.4 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | trans | -123.5 | 63.2 | 150.2 | 62 | 0 | 0 | 0 | 0 | 108.1 | A33 K37 | A33-T35 PolarHBondContact O-N 2.97Å; T35-K37 VanDerWaalsContact C-N 3.29Å; T35-K37 PolarHBondContact O-N 3.32Å; T35-K37 VanDerWaalsContact O-N 3.09Å | ||
| 36 | Q | 25.7 | Very low | 24.6 | Very low | 160 Ų | 160 | 155.8 Ų | 155.8 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | trans | -67.5 | 94.4 | 155.2 | -74.7 | 176.6 | -14.3 | 0 | 0 | 107.2 | L38 | Q36-L38 PolarHBondContact O-N 2.8Š| ||
| 37 | K | 27.9 | Very low | 24.8 | Very low | 182 Ų | 182 | 158.2 Ų | 158.2 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | -72.7 | 84.4 | 156.3 | -82.7 | -174.1 | 177.2 | -180 | 0 | 107.1 | T35 F39 | T35-K37 VanDerWaalsContact C-N 3.29Å; T35-K37 PolarHBondContact O-N 3.32Å; T35-K37 VanDerWaalsContact O-N 3.09Å; K37-F39 HydrophobicContact CB-CE2 4.34Å; K37-F39 PolarHBondContact O-N 2.82Å | ||
| 38 | L | 24 | Very low | 25.2 | Very low | 150 Ų | 150 | 158.1 Ų | 158.1 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | trans | -71.5 | 103.3 | 167.6 | -155.2 | 82.7 | 0 | 0 | 0 | 106.8 | Q36 | Q36-L38 PolarHBondContact O-N 2.8Š| ||
| 39 | F | 26 | Very low | 25.4 | Very low | 178 Ų | 178 | 161.8 Ų | 161.8 | 78% | 0.781 | 80% | 0.799 | S | S | * | * | trans | -89.5 | 130.2 | 164.1 | -78.2 | -76.6 | 0 | 0 | 0 | 108.6 | K37 | K37-F39 HydrophobicContact CB-CE2 4.34Å; K37-F39 PolarHBondContact O-N 2.82Å | ||
| 40 | P | 23.6 | Very low | 25.9 | Very low | 112 Ų | 112 | 158.2 Ų | 158.2 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -82.7 | 156.7 | -167.9 | 32.2 | -34.4 | 0 | 0 | 0 | 114.2 | ||||
| 41 | M | 21.8 | Very low | 26 | Very low | 167 Ų | 167 | 154.3 Ų | 154.3 | 82% | 0.823 | 79% | 0.786 | S | S | * | * | trans | -15.9 | 133.3 | 152.8 | -78.5 | -84.2 | -148.5 | 0 | 0 | 116.2 | ||||
| 42 | H | 26.6 | Very low | 26.1 | Very low | 162 Ų | 162 | 155.3 Ų | 155.3 | 75% | 0.75 | 79% | 0.786 | S | S | * | * | -174.6 | 143.3 | 89.5 | -132.4 | -82.1 | 0 | 0 | 0 | 112.3 | I44 | H42-I44 PolarHBondContact O-N 3.34Š| |||
| 43 | L | 24.7 | Very low | 26.4 | Very low | 164 Ų | 164 | 154.1 Ų | 154.1 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | trans | -45.5 | 121.4 | 165.2 | -124.3 | 78.3 | 0 | 0 | 0 | 111.4 | ||||
| 44 | I | 29.6 | Very low | 26.4 | Very low | 161 Ų | 161 | 158.7 Ų | 158.7 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | trans | -119 | 126.1 | 164.3 | -62.1 | 176.8 | 0 | 0 | 0 | 108.1 | H42 | H42-I44 PolarHBondContact O-N 3.34Š| ||
| 45 | Y | 22.7 | Very low | 26.9 | Very low | 219 Ų | 219 | 160.5 Ų | 160.5 | 86% | 0.859 | 79% | 0.794 | S | S | * | * | trans | -52.8 | 142.3 | -180 | -126 | -110.7 | 0 | 0 | 0 | 112.3 | Q47 | Y45-Q47 PolarHBondContact O-N 2.81Š| ||
| 46 | L | 26.9 | Very low | 26.7 | Very low | 181 Ų | 181 | 157.1 Ų | 157.1 | 95% | 0.948 | 79% | 0.786 | S | S | * | * | trans | -51.4 | 100.7 | 174.4 | -85.3 | 133.8 | 0 | 0 | 0 | 111.8 | ||||
| 47 | Q | 27.6 | Very low | 27.1 | Very low | 172 Ų | 172 | 158.5 Ų | 158.5 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -91.3 | 120.3 | 165.5 | -154.1 | 166.9 | -13 | 0 | 0 | 108.6 | Y45 H49 | Y45-Q47 PolarHBondContact O-N 2.81Å; Q47-H49 PolarHBondContact O-N 2.87Å | ||
| 48 | K | 27.4 | Very low | 27.2 | Very low | 159 Ų | 159 | 157 Ų | 157 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | trans | -50.7 | 106.5 | -179.2 | -163.9 | 177.2 | -178.2 | -176.4 | 0 | 109.9 | T50 | K48-T50 PolarHBondContact O-N 3.34Š| ||
| 49 | H | 27.6 | Very low | 27.4 | Very low | 192 Ų | 192 | 154.9 Ų | 154.9 | 89% | 0.889 | 79% | 0.791 | S | S | * | * | trans | -68.6 | 93.4 | 176.6 | -81.1 | -80.2 | 0 | 0 | 0 | 110.8 | Q47 G51 | Q47-H49 PolarHBondContact O-N 2.87Å; H49-G51 VanDerWaalsContact C-N 3.33Å; H49-G51 PolarHBondContact O-N 2.84Å; H49-G51 VanDerWaalsContact O-N 3.15Å | ||
| 50 | T | 31.3 | Very low | 27.7 | Very low | 120 Ų | 120 | 154.5 Ų | 154.5 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | trans | -76 | 87.8 | 158.7 | 43.6 | 0 | 0 | 0 | 0 | 108.3 | K48 H52 | K48-T50 PolarHBondContact O-N 3.34Å; T50-H52 PolarHBondContact O-N 3.46Å | ||
| 51 | G | 29.1 | Very low | 27.8 | Very low | 58 Ų | 58 | 154.3 Ų | 154.3 | 60% | 0.598 | 80% | 0.798 | S | S | * | * | trans | -72.6 | 89.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | H49 R53 | H49-G51 VanDerWaalsContact C-N 3.33Å; H49-G51 PolarHBondContact O-N 2.84Å; H49-G51 VanDerWaalsContact O-N 3.15Å; G51-R53 PolarHBondContact O-N 2.83Å | ||
| 52 | H | 25.9 | Very low | 28.4 | Very low | 165 Ų | 165 | 152 Ų | 152 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | trans | -71.3 | 106.5 | 165.5 | -108.6 | -76.4 | 0 | 0 | 0 | 109.2 | T50 | T50-H52 PolarHBondContact O-N 3.46Š| ||
| 53 | R | 30.1 | Very low | 28.5 | Very low | 219 Ų | 219 | 151.1 Ų | 151.1 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | trans | -92 | 108 | 167 | -90.7 | -176.5 | 173.4 | 162.3 | -2.6 | 108.8 | G51 V55 | G51-R53 PolarHBondContact O-N 2.83Å; R53-V55 PolarHBondContact O-N 2.96Å | ||
| 54 | H | 26 | Very low | 29.1 | Very low | 185 Ų | 185 | 150.6 Ų | 150.6 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | trans | -72.8 | 107.8 | 165.2 | -132.3 | -78.4 | 0 | 0 | 0 | 107.8 | ||||
| 55 | V | 34 | Very low | 29.2 | Very low | 129 Ų | 129 | 151.5 Ų | 151.5 | 78% | 0.782 | 80% | 0.799 | S | S | * | * | trans | -96.2 | 112.7 | 166.4 | 174.7 | 0 | 0 | 0 | 0 | 106.1 | R53 | R53-V55 PolarHBondContact O-N 2.96Š| ||
| 56 | G | 22.6 | Very low | 29.7 | Very low | 65 Ų | 65 | 148.6 Ų | 148.6 | 67% | 0.67 | 80% | 0.797 | S | S | * | * | trans | -64.8 | 139.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 57 | Q | 34.2 | Very low | 30 | Very low | 189 Ų | 189 | 144.5 Ų | 144.5 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | trans | -146.2 | 137.6 | 154.2 | -112.3 | 177.4 | -9.3 | 0 | 0 | 107.6 | ||||
| 58 | D | 29.6 | Very low | 30.3 | Very low | 149 Ų | 149 | 142.6 Ų | 142.6 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | -71 | 146.2 | -160.2 | -56.4 | -65.6 | 0 | 0 | 0 | 114 | ||||
| 59 | S | 29.1 | Very low | 30.7 | Very low | 107 Ų | 107 | 142.8 Ų | 142.8 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | 29.5 | 98 | 136.6 | -40.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 60 | D | 30.4 | Very low | 31.2 | Very low | 169 Ų | 169 | 141.1 Ų | 141.1 | 90% | 0.904 | 79% | 0.785 | S | S | * | * | -160.8 | 138.4 | 117.3 | -113.5 | -20.8 | 0 | 0 | 0 | 112.2 | |||||
| 61 | S | 27.4 | Very low | 31.4 | Very low | 108 Ų | 108 | 143 Ų | 143 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | trans | -64.3 | 131.5 | -174.5 | 162.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 62 | S | 32.8 | Very low | 32.1 | Very low | 118 Ų | 118 | 146.6 Ų | 146.6 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | -167 | 123.2 | 141.7 | -73.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 63 | D | 30.6 | Very low | 32.7 | Very low | 145 Ų | 145 | 145.5 Ų | 145.5 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | trans | -42.9 | 133.2 | 166.8 | -94.1 | -36.8 | 0 | 0 | 0 | 112.9 | ||||
| 64 | D | 35.4 | Very low | 33.6 | Very low | 152 Ų | 152 | 140.9 Ų | 140.9 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | trans | -158.4 | 91.8 | 147 | -90.7 | -31.8 | 0 | 0 | 0 | 106.3 | L66 | D64-L66 PolarHBondContact O-N 3.05Š| ||
| 65 | E | 31.9 | Very low | 34.5 | Very low | 181 Ų | 181 | 138.9 Ų | 138.9 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | -65.1 | 110.5 | 162.1 | -68.3 | -172.8 | 161.2 | 0 | 0 | 109.2 | ||||
| 66 | L | 33 | Very low | 35.8 | Very low | 158 Ų | 158 | 141.4 Ų | 141.4 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | trans | -146.7 | 97.6 | 156.1 | -69.6 | 178.5 | 0 | 0 | 0 | 105.6 | D64 | D64-L66 PolarHBondContact O-N 3.05Š| ||
| 67 | A | 33.3 | Very low | 38.1 | Very low | 94 Ų | 94 | 145.9 Ų | 145.9 | 78% | 0.777 | 80% | 0.797 | S | S | * | * | 74.1 | 118.6 | 83.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 68 | D | 33.9 | Very low | 40.5 | Very low | 132 Ų | 132 | 138.8 Ų | 138.8 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | trans | 68.7 | 90.5 | 170.5 | -85.2 | -21 | 0 | 0 | 0 | 119.4 | E70 | D68-E70 HydrophobicContact CB-CG 4.08Å; D68-E70 PolarHBondContact O-N 3.44Å | ||
| 69 | D | 36.5 | Very low | 43.1 | Very low | 164 Ų | 164 | 136 Ų | 136 | 88% | 0.877 | 76% | 0.756 | S | S | * | * | trans | -61.3 | 74.9 | 135.2 | -73.1 | -45.4 | 0 | 0 | 0 | 108.3 | D71 | D69-D71 PolarHBondContact O-N 3.09Š| ||
| 70 | E | 37.6 | Very low | 45.9 | Very low | 156 Ų | 156 | 134.4 Ų | 134.4 | 73% | 0.729 | 73% | 0.734 | S | S | * | * | trans | -62 | 116.7 | 164.7 | -93.9 | 175.5 | -172.1 | 0 | 0 | 107.8 | D68 E72 | D68-E70 HydrophobicContact CB-CG 4.08Å; D68-E70 PolarHBondContact O-N 3.44Å; E70-E72 PolarHBondContact O-N 3.24Å | ||
| 71 | D | 35.8 | Very low | 48.5 | Very low | 159 Ų | 159 | 131.3 Ų | 131.3 | 85% | 0.85 | 71% | 0.71 | S | S | * | * | trans | -44.1 | 104.8 | 170.8 | -62.5 | -68.6 | 0 | 0 | 0 | 110.6 | D69 D73 | D69-D71 PolarHBondContact O-N 3.09Å; D71-D73 PolarHBondContact O-N 2.86Å | ||
| 72 | E | 43.5 | Very low | 51.3 | Low | 134 Ų | 134 | 130.1 Ų | 130.1 | 63% | 0.626 | 70% | 0.702 | S | S | * | * | trans | -64.1 | 105.2 | 168.2 | -79.8 | 173 | -179.2 | 0 | 0 | 107.8 | E70 K168 | E70-E72 PolarHBondContact O-N 3.24Å; E72-K168 IonicContact OE1-NZ 2.6Å; E72-K168 PolarHBondContact OE1-NZ 2.84Å | ||
| 73 | D | 39.1 | Very low | 53.8 | Low | 142 Ų | 142 | 129.3 Ų | 129.3 | 76% | 0.759 | 69% | 0.685 | S | S | * | * | trans | -38 | 121.1 | 169.5 | -92.9 | -46.9 | 0 | 0 | 0 | 111 | D71 D75 | D71-D73 PolarHBondContact O-N 2.86Å; D73-D75 PolarHBondContact O-N 2.9Å | ||
| 74 | P | 50.1 | Low | 56.5 | Low | 122 Ų | 122 | 122.4 Ų | 122.4 | 79% | 0.792 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -4.2 | -179 | -21.4 | 32.9 | 0 | 0 | 0 | 115.3 | ||
| 75 | D | 44.4 | Very low | 58.9 | Low | 144 Ų | 144 | 119.3 Ų | 119.3 | 77% | 0.77 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.3 | 19.3 | -164.5 | -67.2 | -26.1 | 0 | 0 | 0 | 114.7 | D73 L77 | D73-D75 PolarHBondContact O-N 2.9Å; D75-L77 PolarHBondContact O-N 3.02Å |
| 76 | E | 60.6 | Low | 61.4 | Low | 181 Ų | 181 | 114.9 Ų | 114.9 | 85% | 0.846 | 62% | 0.624 | S | S | * | * | trans | -71.9 | 90.1 | 160 | -163.2 | 162.1 | -156.6 | 0 | 0 | 108.4 | D78 | E76-D78 PolarHBondContact O-N 2.81Š| ||
| 77 | L | 71.9 | Confident | 63.7 | Low | 159 Ų | 159 | 109.7 Ų | 109.7 | 83% | 0.832 | 60% | 0.595 | S | S | * | * | trans | -56.1 | 97.3 | 179.3 | -163.2 | 88 | 0 | 0 | 0 | 109.1 | D75 P79 | D75-L77 PolarHBondContact O-N 3.02Å; L77-P79 WeakPolarHBondContact O-CD 3.39Å | ||
| 78 | D | 82.7 | Confident | 66.1 | Low | 40 Ų | 40 | 106.9 Ų | 106.9 | 21% | 0.214 | 57% | 0.57 | C | S | . | * | trans | -48.3 | 105.6 | 178.7 | 169.1 | 12.6 | 0 | 0 | 0 | 109.9 | E76 Y80 Y81 R180 | E76-D78 PolarHBondContact O-N 2.81Å; D78-Y80 PolarHBondContact O-N 2.92Å; D78-Y80 WeakPolarHBondContact OD1-CA 3.29Å; D78-Y80 WeakPolarHBondContact OD1-CB 3.46Å; D78-Y80 PolarHBondContact OD1-N 2.83Å; D78-Y81 WeakPolarHBondContact O-CB 3.18Å; D78-Y81 PolarHBondContact O-N 2.89Å; D78-Y81 VanDerWaalsContact O-N 3.09Å; D78-Y81 PolarHBondContact OD1-N 2.81Å; D78-R180 IonicContact OD2-CZ 3.1Å; D78-R180 IonicContact OD2-NH1 3.93Å; D78-R180 PolarHBondContact OD2-NH1 3.19Å; D78-R180 IonicContact OD2-NH2 2.78Å; D78-R180 PolarHBondContact OD2-NH2 3.08Å | ||
| 79 | P | 85.5 | Confident | 68.5 | Low | 92 Ų | 92 | 105 Ų | 105 | 60% | 0.597 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -14.6 | -172.4 | 26.8 | -33.4 | 0 | 0 | 0 | 111.8 | L77 | L77-P79 WeakPolarHBondContact O-CD 3.39Š|
| 80 | Y | 86.7 | Confident | 70.7 | Confident | 73 Ų | 73 | 103.5 Ų | 103.5 | 29% | 0.286 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.7 | -5.3 | -179.1 | -49.4 | -68.2 | 0 | 0 | 0 | 113.4 | D78 S82 E83 D84 | D78-Y80 PolarHBondContact O-N 2.92Å; D78-Y80 WeakPolarHBondContact OD1-CA 3.29Å; D78-Y80 WeakPolarHBondContact OD1-CB 3.46Å; D78-Y80 PolarHBondContact OD1-N 2.83Å; Y80-S82 VanDerWaalsContact C-N 3.32Å; Y80-S82 PolarHBondContact O-N 2.81Å; Y80-E83 PolarHBondContact O-N 2.87Å; Y80-D84 VanDerWaalsContact O-CB 3.31Å; Y80-D84 WeakPolarHBondContact O-CB 3.42Å; Y80-D84 PolarHBondContact O-N 2.87Å |
| 81 | Y | 86.2 | Confident | 73.2 | Confident | 103 Ų | 103 | 98.6 Ų | 98.6 | 40% | 0.404 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.8 | -40.8 | -173.4 | -171.5 | -106.1 | 0 | 0 | 0 | 113.1 | D78 D84 M85 F91 | D78-Y81 WeakPolarHBondContact O-CB 3.18Å; D78-Y81 PolarHBondContact O-N 2.89Å; D78-Y81 VanDerWaalsContact O-N 3.09Å; D78-Y81 PolarHBondContact OD1-N 2.81Å; Y81-D84 PolarHBondContact O-N 3.14Å; Y81-M85 HydrophobicContact CD1-CE 3.74Å; Y81-M85 HydrophobicContact CD1-CG 4.29Å; Y81-M85 HydrophobicContact CD1-SD 4.23Å; Y81-M85 HydrophobicContact CE1-CE 3.27Å; Y81-M85 HydrophobicContact CE1-CG 3.9Å; Y81-M85 HydrophobicContact CE1-SD 3.39Å; Y81-M85 WeakPolarHBondContact CE1-SD 3.49Å; Y81-M85 HydrophobicContact CE2-CG 4.38Å; Y81-M85 VanDerWaalsContact CZ-SD 3.57Å; Y81-M85 WeakPolarHBondContact O-CG 3.49Å; Y81-M85 PolarHBondContact O-N 2.8Å; Y81-M85 PolarHBondContact OH-SD 2.78Å; Y81-F91 HydrophobicContact CE2-CE1 4.43Å; Y81-F91 AromaticContact CE2-CZ 3.94Å; Y81-F91 HydrophobicContact CE2-CZ 3.94Å |
| 82 | S | 85 | Confident | 75.8 | Confident | 84 Ų | 84 | 96.9 Ų | 96.9 | 59% | 0.587 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.6 | -46.9 | 179.8 | 54.3 | 0 | 0 | 0 | 0 | 112.4 | Y80 D84 A86 | Y80-S82 VanDerWaalsContact C-N 3.32Å; Y80-S82 PolarHBondContact O-N 2.81Å; S82-D84 VanDerWaalsContact C-N 3.28Å; S82-D84 PolarHBondContact O-N 3.08Å; S82-A86 PolarHBondContact O-N 2.7Å; S82-A86 VanDerWaalsContact O-N 3.12Å |
| 83 | E | 86.5 | Confident | 78.2 | Confident | 100 Ų | 100 | 94.6 Ų | 94.6 | 47% | 0.467 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.7 | -38.4 | 175.2 | -62.4 | -173.6 | 174.1 | 0 | 0 | 112.1 | Y80 A86 F87 K146 R163 | Y80-E83 PolarHBondContact O-N 2.87Å; E83-A86 PolarHBondContact O-N 2.83Å; E83-F87 PolarHBondContact O-N 2.94Å; E83-K146 IonicContact OE2-NZ 2.74Å; E83-R163 IonicContact OE2-NH2 3.95Å; E83-R163 PolarHBondContact OE2-NH2 3.18Å; E83-R163 VanDerWaalsContact OE2-NH2 3.1Å |
| 84 | D | 88 | Confident | 80.8 | Confident | 0 Ų | 0 | 89 Ų | 89 | 0% | 0 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -72.2 | -39.4 | -176.4 | -79.3 | -5 | 0 | 0 | 0 | 112.6 | Y80 Y81 S82 A86 F87 S88 R163 R180 W182 | Y80-D84 VanDerWaalsContact O-CB 3.31Å; Y80-D84 WeakPolarHBondContact O-CB 3.42Å; Y80-D84 PolarHBondContact O-N 2.87Å; Y81-D84 PolarHBondContact O-N 3.14Å; S82-D84 VanDerWaalsContact C-N 3.28Å; S82-D84 PolarHBondContact O-N 3.08Å; D84-A86 VanDerWaalsContact C-N 3.33Å; D84-F87 WeakPolarHBondContact O-CB 3.38Å; D84-F87 PolarHBondContact O-N 2.71Å; D84-S88 PolarHBondContact O-N 2.74Å; D84-S88 VanDerWaalsContact O-N 3.12Å; D84-R163 VanDerWaalsContact CG-NE 3.26Å; D84-R163 IonicContact OD1-CZ 3.18Å; D84-R163 IonicContact OD1-NE 2.71Å; D84-R163 PolarHBondContact OD1-NE 3.27Å; D84-R163 IonicContact OD1-NH2 3.69Å; D84-R163 PolarHBondContact OD1-NH2 2.89Å; D84-R163 WeakPolarHBondContact OD2-CD 3.03Å; D84-R163 IonicContact OD2-NE 3.08Å; D84-R163 PolarHBondContact OD2-NE 3.36Å; D84-R163 VanDerWaalsContact OD2-NE 3.08Å; D84-R180 WeakPolarHBondContact OD2-CD 3.29Å; D84-R180 IonicContact OD2-CZ 3.25Å; D84-R180 IonicContact OD2-NE 2.87Å; D84-R180 IonicContact OD2-NH1 2.78Å; D84-R180 PolarHBondContact OD2-NH1 3.1Å; D84-W182 HydrophobicContact CB-CH2 3.86Å; D84-W182 HydrophobicContact CB-CZ2 3.7Å; D84-W182 VanDerWaalsContact CG-CH2 3.45Å; D84-W182 WeakPolarHBondContact OD2-CH2 3.48Å |
| 85 | M | 85.2 | Confident | 82.9 | Confident | 87 Ų | 87 | 86.5 Ų | 86.5 | 43% | 0.429 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.6 | -37.4 | 171 | -74 | -152.8 | -62.6 | 0 | 0 | 112.1 | Y81 F87 | Y81-M85 HydrophobicContact CD1-CE 3.74Å; Y81-M85 HydrophobicContact CD1-CG 4.29Å; Y81-M85 HydrophobicContact CD1-SD 4.23Å; Y81-M85 HydrophobicContact CE1-CE 3.27Å; Y81-M85 HydrophobicContact CE1-CG 3.9Å; Y81-M85 HydrophobicContact CE1-SD 3.39Å; Y81-M85 WeakPolarHBondContact CE1-SD 3.49Å; Y81-M85 HydrophobicContact CE2-CG 4.38Å; Y81-M85 VanDerWaalsContact CZ-SD 3.57Å; Y81-M85 WeakPolarHBondContact O-CG 3.49Å; Y81-M85 PolarHBondContact O-N 2.8Å; Y81-M85 PolarHBondContact OH-SD 2.78Å; M85-F87 VanDerWaalsContact C-N 3.26Å; M85-F87 PolarHBondContact O-N 2.75Å |
| 86 | A | 83.6 | Confident | 85.3 | Confident | 89 Ų | 89 | 80.7 Ų | 80.7 | 74% | 0.736 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -64.6 | -31.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S82 E83 D84 | S82-A86 PolarHBondContact O-N 2.7Å; S82-A86 VanDerWaalsContact O-N 3.12Å; E83-A86 PolarHBondContact O-N 2.83Å; D84-A86 VanDerWaalsContact C-N 3.33Å |
| 87 | F | 82.7 | Confident | 87 | Confident | 48 Ų | 48 | 78.3 Ų | 78.3 | 21% | 0.211 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -70 | -56.5 | 173.7 | 175.5 | -105.2 | 0 | 0 | 0 | 112.2 | E83 D84 M85 P157 R161 W182 | E83-F87 PolarHBondContact O-N 2.94Å; D84-F87 WeakPolarHBondContact O-CB 3.38Å; D84-F87 PolarHBondContact O-N 2.71Å; M85-F87 VanDerWaalsContact C-N 3.26Å; M85-F87 PolarHBondContact O-N 2.75Å; F87-P157 HydrophobicContact CE2-CB 4.04Å; F87-P157 HydrophobicContact CE2-CG 4.33Å; F87-P157 WeakPolarHBondContact CE2-O 3.15Å; F87-R161 HydrophobicContact CD1-CB 4.49Å; F87-R161 HydrophobicContact CE1-CB 3.69Å; F87-R161 HydrophobicContact CE1-CG 4.4Å; F87-R161 HydrophobicContact CZ-CB 3.83Å; F87-W182 AromaticContact CD1-CD1 3.8Å; F87-W182 AromaticContact CD1-CD2 3.85Å; F87-W182 HydrophobicContact CD1-CD2 3.85Å; F87-W182 AromaticContact CD1-CE2 3.65Å; F87-W182 AromaticContact CD1-CG 3.9Å; F87-W182 HydrophobicContact CD1-CG 3.9Å; F87-W182 HydrophobicContact CD1-CZ2 4.22Å; F87-W182 AromaticContact CD1-NE1 3.58Å; F87-W182 HydrophobicContact CE1-CB 3.92Å; F87-W182 AromaticContact CE1-CD1 3.79Å; F87-W182 AromaticContact CE1-CD2 3.84Å; F87-W182 HydrophobicContact CE1-CD2 3.84Å; F87-W182 AromaticContact CE1-CG 3.58Å; F87-W182 HydrophobicContact CE1-CG 3.58Å |
| 88 | S | 83.1 | Confident | 88.1 | Confident | 36 Ų | 36 | 71.1 Ų | 71.1 | 25% | 0.252 | 38% | 0.377 | S | S | . | . | trans | -169.7 | 135.3 | 171 | -178.6 | 0 | 0 | 0 | 0 | 110.1 | D84 N90 W182 | D84-S88 PolarHBondContact O-N 2.74Å; D84-S88 VanDerWaalsContact O-N 3.12Å; S88-N90 PolarHBondContact O-N 2.97Å; S88-N90 PolarHBondContact OG-N 3.36Å; S88-W182 PolarHBondContact O-NE1 3.47Å | ||
| 89 | P | 82.9 | Confident | 88.6 | Confident | 92 Ų | 92 | 76.9 Ų | 76.9 | 60% | 0.597 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -68.5 | -17.2 | 176.3 | 28.5 | -35.3 | 0 | 0 | 0 | 113 | F91 | P89-F91 VanDerWaalsContact C-N 3.33Å; P89-F91 PolarHBondContact O-N 3.03Å |
| 90 | N | 84.7 | Confident | 89 | Confident | 133 Ų | 133 | 73.7 Ų | 73.7 | 71% | 0.711 | 38% | 0.38 | S | S | * | . | trans | -88.4 | 64.8 | -173.8 | -68 | -20.9 | 0 | 0 | 0 | 112 | S88 | S88-N90 PolarHBondContact O-N 2.97Å; S88-N90 PolarHBondContact OG-N 3.36Å | ||
| 91 | F | 88.9 | Confident | 89.4 | Confident | 52 Ų | 52 | 71.9 Ų | 71.9 | 23% | 0.228 | 38% | 0.375 | C | S | . | . | trans | -102.8 | 156.6 | 171.9 | 60.4 | -96.2 | 0 | 0 | 0 | 112.7 | Y81 P89 R180 W182 | Y81-F91 HydrophobicContact CE2-CE1 4.43Å; Y81-F91 AromaticContact CE2-CZ 3.94Å; Y81-F91 HydrophobicContact CE2-CZ 3.94Å; P89-F91 VanDerWaalsContact C-N 3.33Å; P89-F91 PolarHBondContact O-N 3.03Å; F91-R180 HydrophobicContact CB-CG 3.63Å; F91-R180 HydrophobicContact CD1-CG 4.39Å; F91-R180 HydrophobicContact CD2-CG 3.49Å; F91-R180 VanDerWaalsContact CD2-CG 3.49Å; F91-R180 HydrophobicContact CE2-CG 4.23Å; F91-R180 HydrophobicContact CG-CG 3.59Å; F91-W182 HydrophobicContact CB-CD2 3.97Å; F91-W182 HydrophobicContact CB-CG 4.21Å; F91-W182 HydrophobicContact CB-CZ2 3.97Å; F91-W182 HydrophobicContact CD1-CZ2 4.23Å; F91-W182 HydrophobicContact CG-CZ2 4.35Å | ||
| 92 | R | 91.1 | Very high | 89.9 | Confident | 124 Ų | 124 | 72.1 Ų | 72.1 | 47% | 0.468 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 128 | 167.8 | -179.3 | 179.8 | 173 | 169.9 | -1.2 | 109.1 | I94 C181 | R92-I94 HydrophobicContact CG-CG2 3.9Å; R92-C181 PolarHBondContact N-O 3.32Å; R92-C181 PolarHBondContact O-N 3.35Å |
| 93 | Q | 93 | Very high | 90.4 | Very high | 86 Ų | 86 | 68.1 Ų | 68.1 | 40% | 0.402 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 132.4 | 169.9 | -164.4 | 168.6 | -0.2 | 0 | 0 | 109.3 | L165 L179 | Q93-L165 HydrophobicContact CG-CD1 4.07Å; Q93-L165 VanDerWaalsContact NE2-CD1 3.32Å; Q93-L179 CarbonylContact C-O 3.56Å; Q93-L179 VanDerWaalsContact CA-O 3.32Å; Q93-L179 WeakPolarHBondContact CA-O 3.32Å |
| 94 | I | 94.2 | Very high | 90.8 | Very high | 25 Ų | 25 | 64 Ų | 64 | 13% | 0.128 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 142.2 | 177.3 | 67 | 174 | 0 | 0 | 0 | 109.7 | R92 L179 | R92-I94 HydrophobicContact CG-CG2 3.9Å; I94-L179 HydrophobicContact CD1-CD1 4.38Å; I94-L179 HydrophobicContact CG1-CB 3.89Å; I94-L179 HydrophobicContact CG1-CD1 4.49Å; I94-L179 PolarHBondContact N-O 2.9Å; I94-L179 PolarHBondContact O-N 3.27Å |
| 95 | S | 94.5 | Very high | 91.2 | Very high | 68 Ų | 68 | 66.9 Ų | 66.9 | 48% | 0.476 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 138.1 | 165.6 | 59 | 0 | 0 | 0 | 0 | 108.9 | I177 | S95-I177 CarbonylContact C-O 3.46Å; S95-I177 VanDerWaalsContact CA-O 3.26Å; S95-I177 WeakPolarHBondContact CA-O 3.35Å |
| 96 | S | 95.1 | Very high | 91.7 | Very high | 22 Ų | 22 | 62.9 Ų | 62.9 | 15% | 0.154 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 164.9 | -177.9 | 63 | 0 | 0 | 0 | 0 | 111.6 | V109 K176 I177 | S96-V109 WeakPolarHBondContact OG-CG1 3.26Å; S96-K176 WeakPolarHBondContact O-CA 3.31Å; S96-I177 PolarHBondContact N-O 3.15Å; S96-I177 WeakPolarHBondContact O-CG1 3.27Å; S96-I177 PolarHBondContact O-N 3.38Å; S96-I177 WeakPolarHBondContact OG-CD1 3.36Å; S96-I177 VanDerWaalsContact OG-CG1 3.22Å; S96-I177 WeakPolarHBondContact OG-CG1 3.48Å |
| 97 | Y | 95 | Very high | 92.2 | Very high | 131 Ų | 131 | 58.7 Ų | 58.7 | 51% | 0.514 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 130.5 | 177.2 | -61.5 | -83.1 | 0 | 0 | 0 | 110.7 | L170 K174 Y175 K176 | Y97-L170 HydrophobicContact CE1-CD2 4.35Å; Y97-K174 HydrophobicContact CD1-CG 4.32Å; Y97-Y175 CarbonylContact C-O 3.56Å; Y97-Y175 VanDerWaalsContact CA-O 3.25Å; Y97-Y175 WeakPolarHBondContact CA-O 3.38Å; Y97-K176 HydrophobicContact CD1-CB 3.99Å; Y97-K176 HydrophobicContact CD1-CG 4.37Å; Y97-K176 HydrophobicContact CE1-CB 3.72Å; Y97-K176 HydrophobicContact CE1-CD 4.22Å; Y97-K176 HydrophobicContact CE1-CG 3.83Å |
| 98 | V | 94.8 | Very high | 92.8 | Very high | 8 Ų | 8 | 58.6 Ų | 58.6 | 5% | 0.048 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 148.4 | 177.4 | -64.4 | 0 | 0 | 0 | 0 | 111.4 | L101 I106 V109 Y175 I177 | V98-L101 HydrophobicContact CG2-CD2 4.15Å; V98-I106 HydrophobicContact CG1-CD1 4.32Å; V98-I106 HydrophobicContact CG2-CD1 3.93Å; V98-V109 HydrophobicContact CG1-CG2 4.06Å; V98-Y175 PolarHBondContact N-O 3.12Å; V98-Y175 PolarHBondContact O-N 2.82Å; V98-I177 HydrophobicContact CB-CD1 4.35Å; V98-I177 HydrophobicContact CG1-CD1 3.51Å; V98-I177 HydrophobicContact CG1-CG1 4.3Å; V98-I177 HydrophobicContact CG2-CD1 3.9Å; V98-I177 HydrophobicContact CG2-CG1 4.33Å; V98-I177 HydrophobicContact CG2-CG2 3.82Å |
| 99 | K | 94 | Very high | 93.3 | Very high | 162 Ų | 162 | 59.4 Ų | 59.4 | 70% | 0.704 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -80 | -17 | 177.9 | -62.5 | -174.7 | -179 | -174.9 | 0 | 114 | N173 | K99-N173 VanDerWaalsContact CA-O 3.29Å; K99-N173 WeakPolarHBondContact CA-O 3.04Å |
| 100 | S | 94.5 | Very high | 93.8 | Very high | 25 Ų | 25 | 55 Ų | 55 | 18% | 0.175 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -162.2 | 147.3 | 179.7 | 63.4 | 0 | 0 | 0 | 0 | 110 | R102 K105 | S100-R102 PolarHBondContact O-N 2.87Å; S100-K105 WeakPolarHBondContact OG-CD 3.49Å; S100-K105 WeakPolarHBondContact OG-CE 3.35Å; S100-K105 PolarHBondContact OG-NZ 2.86Å |
| 101 | L | 95.2 | Very high | 94.1 | Very high | 34 Ų | 34 | 48.7 Ų | 48.7 | 18% | 0.178 | 23% | 0.225 | C | C | . | . | trans | -81.7 | 33.2 | -178.6 | -54.6 | 176.2 | 0 | 0 | 0 | 113.5 | V98 I106 T140 V141 I167 Y175 I177 | V98-L101 HydrophobicContact CG2-CD2 4.15Å; L101-I106 HydrophobicContact CD2-CD1 4.49Å; L101-T140 CarbonylContact O-C 3.55Å; L101-T140 WeakPolarHBondContact O-CA 3.1Å; L101-V141 PolarHBondContact O-N 3.41Å; L101-I167 HydrophobicContact CD1-CD1 4.19Å; L101-I167 HydrophobicContact CD1-CG2 3.87Å; L101-I167 HydrophobicContact CD2-CD1 4.23Å; L101-I167 HydrophobicContact CD2-CG2 3.65Å; L101-I167 HydrophobicContact CG-CG2 4.4Å; L101-Y175 HydrophobicContact CD1-CD1 4.06Å; L101-Y175 HydrophobicContact CD1-CE1 4.02Å; L101-Y175 HydrophobicContact CD2-CD1 4.02Å; L101-Y175 HydrophobicContact CD2-CD2 4.23Å; L101-Y175 HydrophobicContact CD2-CG 3.78Å; L101-Y175 HydrophobicContact CG-CD1 4.1Å; L101-Y175 HydrophobicContact CG-CD2 4.29Å; L101-Y175 HydrophobicContact CG-CE1 4.25Å; L101-Y175 HydrophobicContact CG-CE2 4.44Å; L101-Y175 HydrophobicContact CG-CG 4.12Å; L101-I177 HydrophobicContact CD2-CG2 3.98Å | ||
| 102 | R | 95.6 | Very high | 94.1 | Very high | 108 Ų | 108 | 51.6 Ų | 51.6 | 41% | 0.408 | 24% | 0.243 | S | C | . | . | B | Isolated β-bridge | trans | -79.7 | 141.2 | -179.1 | -68.8 | 173.6 | 47.3 | 154.3 | 2.7 | 110.5 | S100 D104 K105 I106 T139 | S100-R102 PolarHBondContact O-N 2.87Å; R102-D104 WeakPolarHBondContact CB-OD1 3.2Å; R102-D104 IonicContact CZ-OD1 3.76Å; R102-D104 VanDerWaalsContact CZ-OD1 3.26Å; R102-D104 IonicContact NE-OD1 3.29Å; R102-D104 PolarHBondContact NE-OD1 2.75Å; R102-D104 IonicContact NH2-OD1 2.79Å; R102-D104 PolarHBondContact NH2-OD1 3.24Å; R102-D104 PolarHBondContact O-N 2.99Å; R102-D104 VanDerWaalsContact O-N 3.15Å; R102-K105 HydrophobicContact CB-CG 4.43Å; R102-K105 WeakPolarHBondContact O-CA 3.45Å; R102-K105 PolarHBondContact O-N 3Å; R102-I106 WeakPolarHBondContact O-CG1 3.43Å; R102-I106 PolarHBondContact O-N 3.15Å; R102-T139 CarbonylContact C-O 3.58Å; R102-T139 WeakPolarHBondContact CA-O 3.16Å |
| 103 | F | 96.6 | Very high | 94 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -45.8 | -49.3 | 176.8 | -178.1 | -79.6 | 0 | 0 | 0 | 111.5 | K105 I106 I107 C127 L129 L134 M137 T139 V141 L147 | F103-K105 VanDerWaalsContact C-N 3.27Å; F103-K105 PolarHBondContact O-N 3.35Å; F103-I106 PolarHBondContact O-N 2.88Å; F103-I107 HydrophobicContact CD1-CB 4.39Å; F103-I107 HydrophobicContact CD1-CG2 4.11Å; F103-I107 HydrophobicContact CE1-CB 4.07Å; F103-I107 HydrophobicContact CE1-CG1 4.3Å; F103-I107 HydrophobicContact CE1-CG2 3.97Å; F103-I107 HydrophobicContact CZ-CB 4.5Å; F103-I107 HydrophobicContact CZ-CG1 4.49Å; F103-I107 WeakPolarHBondContact O-CB 3.25Å; F103-I107 WeakPolarHBondContact O-CG2 3.42Å; F103-I107 PolarHBondContact O-N 2.78Å; F103-C127 HydrophobicContact CE1-CB 4Å; F103-C127 HydrophobicContact CZ-CB 4.04Å; F103-L129 HydrophobicContact CD2-CD1 4.19Å; F103-L129 HydrophobicContact CE2-CB 4.27Å; F103-L129 HydrophobicContact CE2-CD1 4.33Å; F103-L134 HydrophobicContact CB-CD2 4.33Å; F103-L134 HydrophobicContact CD1-CD2 3.35Å; F103-L134 HydrophobicContact CD2-CD1 4.31Å; F103-L134 HydrophobicContact CD2-CD2 3.96Å; F103-L134 HydrophobicContact CE1-CD2 3.52Å; F103-L134 HydrophobicContact CE2-CD2 4.07Å; F103-L134 HydrophobicContact CG-CD1 4.48Å; F103-L134 HydrophobicContact CG-CD2 3.61Å; F103-L134 HydrophobicContact CZ-CD2 3.88Å; F103-M137 HydrophobicContact CD1-CE 4.36Å; F103-M137 HydrophobicContact CD1-SD 3.77Å; F103-M137 HydrophobicContact CE1-SD 4.16Å; F103-T139 PolarHBondContact N-O 2.84Å; F103-V141 VanDerWaalsContact CA-CG2 3.48Å; F103-V141 HydrophobicContact CB-CG2 3.93Å; F103-V141 HydrophobicContact CD2-CG2 4.41Å; F103-L147 HydrophobicContact CD2-CB 4.25Å; F103-L147 HydrophobicContact CD2-CD2 3.59Å; F103-L147 HydrophobicContact CD2-CG 3.62Å; F103-L147 HydrophobicContact CE2-CB 3.57Å; F103-L147 HydrophobicContact CE2-CD2 3.76Å; F103-L147 HydrophobicContact CE2-CG 3.45Å; F103-L147 VanDerWaalsContact CE2-CG 3.45Å; F103-L147 HydrophobicContact CG-CD2 4.16Å; F103-L147 HydrophobicContact CZ-CB 4.05Å; F103-L147 HydrophobicContact CZ-CD2 4.42Å; F103-L147 HydrophobicContact CZ-CG 4.33Å |
| 104 | D | 95.1 | Very high | 93.9 | Very high | 13 Ų | 13 | 46.7 Ų | 46.7 | 7% | 0.07 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.3 | -33.3 | 179.8 | 77 | -84.9 | 0 | 0 | 0 | 114.1 | R102 R108 M137 | R102-D104 WeakPolarHBondContact CB-OD1 3.2Å; R102-D104 IonicContact CZ-OD1 3.76Å; R102-D104 VanDerWaalsContact CZ-OD1 3.26Å; R102-D104 IonicContact NE-OD1 3.29Å; R102-D104 PolarHBondContact NE-OD1 2.75Å; R102-D104 IonicContact NH2-OD1 2.79Å; R102-D104 PolarHBondContact NH2-OD1 3.24Å; R102-D104 PolarHBondContact O-N 2.99Å; R102-D104 VanDerWaalsContact O-N 3.15Å; D104-R108 WeakPolarHBondContact O-CG 3.22Å; D104-R108 PolarHBondContact O-NE 2.9Å; D104-R108 VanDerWaalsContact O-NE 3.13Å; D104-R108 PolarHBondContact O-NH1 3.38Å; D104-R108 PolarHBondContact O-NH2 3.26Å; D104-R108 IonicContact OD2-CZ 2.99Å; D104-R108 VanDerWaalsContact OD2-CZ 3.25Å; D104-R108 IonicContact OD2-NH1 3.26Å; D104-R108 PolarHBondContact OD2-NH1 3.24Å; D104-R108 IonicContact OD2-NH2 2.75Å; D104-R108 PolarHBondContact OD2-NH2 3.24Å; D104-M137 HydrophobicContact CB-CE 3.82Å; D104-M137 HydrophobicContact CB-CG 3.76Å; D104-M137 HydrophobicContact CB-SD 4.06Å; D104-M137 PolarHBondContact N-O 3.05Å |
| 105 | K | 95.6 | Very high | 93.8 | Very high | 62 Ų | 62 | 54 Ų | 54 | 27% | 0.27 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -77.2 | -48.4 | 175.6 | -63.2 | -148.8 | -176.1 | 153.7 | 0 | 111.1 | S100 R102 F103 R108 V109 | S100-K105 WeakPolarHBondContact OG-CD 3.49Å; S100-K105 WeakPolarHBondContact OG-CE 3.35Å; S100-K105 PolarHBondContact OG-NZ 2.86Å; R102-K105 HydrophobicContact CB-CG 4.43Å; R102-K105 WeakPolarHBondContact O-CA 3.45Å; R102-K105 PolarHBondContact O-N 3Å; F103-K105 VanDerWaalsContact C-N 3.27Å; F103-K105 PolarHBondContact O-N 3.35Å; K105-R108 PolarHBondContact O-N 3.16Å; K105-V109 WeakPolarHBondContact O-CG2 3.45Å; K105-V109 PolarHBondContact O-N 3.24Å; K105-V109 VanDerWaalsContact O-N 3.16Å |
| 106 | I | 96.1 | Very high | 93.6 | Very high | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.015 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.8 | -47.1 | -175.5 | -56.8 | -59.6 | 0 | 0 | 0 | 110.6 | V98 L101 R102 F103 R108 V109 G110 V141 L147 V164 I177 L179 | V98-I106 HydrophobicContact CG1-CD1 4.32Å; V98-I106 HydrophobicContact CG2-CD1 3.93Å; L101-I106 HydrophobicContact CD2-CD1 4.49Å; R102-I106 WeakPolarHBondContact O-CG1 3.43Å; R102-I106 PolarHBondContact O-N 3.15Å; F103-I106 PolarHBondContact O-N 2.88Å; I106-R108 VanDerWaalsContact C-N 3.31Å; I106-R108 PolarHBondContact O-N 2.85Å; I106-V109 PolarHBondContact O-N 3.35Å; I106-G110 PolarHBondContact O-N 3.36Å; I106-V141 HydrophobicContact CG1-CB 4.32Å; I106-V141 HydrophobicContact CG1-CG2 4.29Å; I106-L147 HydrophobicContact CB-CD2 3.99Å; I106-L147 HydrophobicContact CG2-CD2 3.85Å; I106-V164 HydrophobicContact CG2-CG2 4.14Å; I106-I177 HydrophobicContact CD1-CD1 3.43Å; I106-I177 VanDerWaalsContact CD1-CD1 3.43Å; I106-I177 HydrophobicContact CD1-CG2 4.39Å; I106-L179 HydrophobicContact CG2-CD1 4.1Å; I106-L179 HydrophobicContact CG2-CD2 3.85Å |
| 107 | I | 94.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.2 | -37.4 | -179 | -164.6 | 67.2 | 0 | 0 | 0 | 112.2 | F103 L111 L147 I149 V162 | F103-I107 HydrophobicContact CD1-CB 4.39Å; F103-I107 HydrophobicContact CD1-CG2 4.11Å; F103-I107 HydrophobicContact CE1-CB 4.07Å; F103-I107 HydrophobicContact CE1-CG1 4.3Å; F103-I107 HydrophobicContact CE1-CG2 3.97Å; F103-I107 HydrophobicContact CZ-CB 4.5Å; F103-I107 HydrophobicContact CZ-CG1 4.49Å; F103-I107 WeakPolarHBondContact O-CB 3.25Å; F103-I107 WeakPolarHBondContact O-CG2 3.42Å; F103-I107 PolarHBondContact O-N 2.78Å; I107-L111 HydrophobicContact CD1-CD1 3.56Å; I107-L111 HydrophobicContact CD1-CG 3.98Å; I107-L111 HydrophobicContact CG1-CD1 3.9Å; I107-L111 HydrophobicContact CG1-CG 4.39Å; I107-L111 WeakPolarHBondContact O-CB 3.49Å; I107-L111 PolarHBondContact O-N 2.93Å; I107-L147 HydrophobicContact CB-CD2 4.33Å; I107-L147 HydrophobicContact CD1-CB 3.81Å; I107-I149 HydrophobicContact CD1-CD1 4.41Å; I107-I149 HydrophobicContact CD1-CG1 4.2Å; I107-I149 HydrophobicContact CG1-CD1 3.88Å; I107-I149 HydrophobicContact CG1-CG1 4.09Å; I107-V162 HydrophobicContact CD1-CB 4.33Å; I107-V162 HydrophobicContact CD1-CG2 3.9Å |
| 108 | R | 94.4 | Very high | 93.2 | Very high | 47 Ų | 47 | 48.7 Ų | 48.7 | 18% | 0.177 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.4 | -44.5 | 177.6 | -76.8 | -172 | -52.6 | -107.3 | -3.8 | 111.8 | D104 K105 I106 D112 I113 A118 | D104-R108 WeakPolarHBondContact O-CG 3.22Å; D104-R108 PolarHBondContact O-NE 2.9Å; D104-R108 VanDerWaalsContact O-NE 3.13Å; D104-R108 PolarHBondContact O-NH1 3.38Å; D104-R108 PolarHBondContact O-NH2 3.26Å; D104-R108 IonicContact OD2-CZ 2.99Å; D104-R108 VanDerWaalsContact OD2-CZ 3.25Å; D104-R108 IonicContact OD2-NH1 3.26Å; D104-R108 PolarHBondContact OD2-NH1 3.24Å; D104-R108 IonicContact OD2-NH2 2.75Å; D104-R108 PolarHBondContact OD2-NH2 3.24Å; K105-R108 PolarHBondContact O-N 3.16Å; I106-R108 VanDerWaalsContact C-N 3.31Å; I106-R108 PolarHBondContact O-N 2.85Å; R108-D112 WeakPolarHBondContact O-CA 3.36Å; R108-D112 PolarHBondContact O-N 3.03Å; R108-I113 HydrophobicContact CB-CG1 4.49Å; R108-I113 HydrophobicContact CG-CG1 4.17Å; R108-I113 PolarHBondContact O-N 3.26Å; R108-A118 HydrophobicContact CG-CB 3.69Å |
| 109 | V | 93.5 | Very high | 93.2 | Very high | 52 Ų | 52 | 50.3 Ų | 50.3 | 32% | 0.315 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -71.2 | -43 | 179.7 | 177.7 | 0 | 0 | 0 | 0 | 110.9 | S96 V98 K105 I106 R183 | S96-V109 WeakPolarHBondContact OG-CG1 3.26Å; V98-V109 HydrophobicContact CG1-CG2 4.06Å; K105-V109 WeakPolarHBondContact O-CG2 3.45Å; K105-V109 PolarHBondContact O-N 3.24Å; K105-V109 VanDerWaalsContact O-N 3.16Å; I106-V109 PolarHBondContact O-N 3.35Å; V109-R183 PolarHBondContact O-NH2 2.93Å |
| 110 | G | 93.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.6 | -46.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | I106 C181 R183 | I106-G110 PolarHBondContact O-N 3.36Å; G110-C181 WeakPolarHBondContact CA-SG 3.48Å; G110-C181 WeakPolarHBondContact O-CB 3.17Å; G110-C181 PolarHBondContact O-SG 3.36Å; G110-R183 VanDerWaalsContact O-CZ 3.29Å; G110-R183 PolarHBondContact O-NE 3.47Å; G110-R183 PolarHBondContact O-NH2 3.34Å |
| 111 | L | 91 | Very high | 92.9 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -94.8 | -6.1 | -176.8 | -60.8 | -176.4 | 0 | 0 | 0 | 114.8 | I107 I113 I149 K160 V162 R183 Y188 | I107-L111 HydrophobicContact CD1-CD1 3.56Å; I107-L111 HydrophobicContact CD1-CG 3.98Å; I107-L111 HydrophobicContact CG1-CD1 3.9Å; I107-L111 HydrophobicContact CG1-CG 4.39Å; I107-L111 WeakPolarHBondContact O-CB 3.49Å; I107-L111 PolarHBondContact O-N 2.93Å; L111-I113 HydrophobicContact CB-CD1 4.39Å; L111-I113 HydrophobicContact CB-CG1 4.21Å; L111-I113 HydrophobicContact CB-CG2 3.98Å; L111-I113 HydrophobicContact CD1-CD1 4.49Å; L111-I149 HydrophobicContact CD1-CB 4.44Å; L111-I149 HydrophobicContact CD1-CD1 3.59Å; L111-I149 HydrophobicContact CD1-CG1 3.95Å; L111-K160 HydrophobicContact CD1-CB 3.49Å; L111-K160 VanDerWaalsContact CD1-CB 3.49Å; L111-K160 HydrophobicContact CD1-CD 3.9Å; L111-K160 HydrophobicContact CD1-CG 4.35Å; L111-K160 HydrophobicContact CD2-CB 3.76Å; L111-K160 HydrophobicContact CG-CB 4.26Å; L111-V162 HydrophobicContact CD1-CG2 4.46Å; L111-V162 HydrophobicContact CD2-CG2 3.51Å; L111-V162 HydrophobicContact CG-CG2 3.6Å; L111-R183 HydrophobicContact CD2-CG 4.44Å; L111-Y188 PolarHBondContact O-OH 2.78Å |
| 112 | D | 89.6 | Confident | 92.8 | Very high | 112 Ų | 112 | 46.5 Ų | 46.5 | 60% | 0.599 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 56.3 | -174.6 | -164.7 | 23.8 | 0 | 0 | 0 | 111.4 | R108 R183 | R108-D112 WeakPolarHBondContact O-CA 3.36Å; R108-D112 PolarHBondContact O-N 3.03Å; D112-R183 VanDerWaalsContact CB-CZ 3.46Å; D112-R183 IonicContact OD2-NH1 2.93Å |
| 113 | I | 89.2 | Confident | 92.7 | Very high | 23 Ų | 23 | 48.7 Ų | 48.7 | 12% | 0.118 | 25% | 0.248 | C | C | . | . | trans | -116.1 | 148.1 | 179.8 | 58.5 | 173.1 | 0 | 0 | 0 | 110.6 | R108 L111 A117 A118 I149 Y188 | R108-I113 HydrophobicContact CB-CG1 4.49Å; R108-I113 HydrophobicContact CG-CG1 4.17Å; R108-I113 PolarHBondContact O-N 3.26Å; L111-I113 HydrophobicContact CB-CD1 4.39Å; L111-I113 HydrophobicContact CB-CG1 4.21Å; L111-I113 HydrophobicContact CB-CG2 3.98Å; L111-I113 HydrophobicContact CD1-CD1 4.49Å; I113-A117 HydrophobicContact CB-CB 4.29Å; I113-A118 HydrophobicContact CD1-CB 3.85Å; I113-A118 HydrophobicContact CG1-CB 4.38Å; I113-I149 HydrophobicContact CD1-CD1 3.52Å; I113-Y188 WeakPolarHBondContact CG2-OH 3.46Å | ||
| 114 | T | 90.8 | Very high | 92.4 | Very high | 84 Ų | 84 | 51.2 Ų | 51.2 | 52% | 0.515 | 27% | 0.266 | S | S | . | . | trans | -66 | 159.3 | 177.2 | 67.2 | 0 | 0 | 0 | 0 | 111.1 | S116 A117 A118 | T114-S116 VanDerWaalsContact C-N 3.31Å; T114-S116 PolarHBondContact O-N 2.82Å; T114-S116 PolarHBondContact OG1-OG 3.15Å; T114-A117 PolarHBondContact O-N 3.28Å; T114-A117 VanDerWaalsContact OG1-CB 3.31Å; T114-A117 WeakPolarHBondContact OG1-CB 3.42Å; T114-A117 PolarHBondContact OG1-N 2.95Å; T114-A117 VanDerWaalsContact OG1-N 3.1Å; T114-A118 PolarHBondContact O-N 2.99Å | ||
| 115 | R | 91.9 | Very high | 92.2 | Very high | 178 Ų | 178 | 55.4 Ų | 55.4 | 67% | 0.672 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -55.4 | -46.9 | 172.9 | -178.7 | 174.1 | -179.9 | 178.1 | 0.9 | 112.2 | A117 A118 D119 | R115-A117 VanDerWaalsContact C-N 3.32Å; R115-A117 PolarHBondContact O-N 2.84Å; R115-A118 PolarHBondContact O-N 3.26Å; R115-D119 WeakPolarHBondContact CG-OD2 3.35Å; R115-D119 IonicContact NE-OD2 3.17Å; R115-D119 WeakPolarHBondContact O-CB 3.49Å; R115-D119 PolarHBondContact O-N 3.03Å |
| 116 | S | 91 | Very high | 91.9 | Very high | 71 Ų | 71 | 56.2 Ų | 56.2 | 50% | 0.497 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.9 | -40.2 | 177 | 52.4 | 0 | 0 | 0 | 0 | 112.8 | T114 N120 | T114-S116 VanDerWaalsContact C-N 3.31Å; T114-S116 PolarHBondContact O-N 2.82Å; T114-S116 PolarHBondContact OG1-OG 3.15Å; S116-N120 VanDerWaalsContact O-CB 3.25Å; S116-N120 WeakPolarHBondContact O-CB 3.41Å; S116-N120 PolarHBondContact O-N 2.78Å; S116-N120 PolarHBondContact O-ND2 2.78Å |
| 117 | A | 89.3 | Confident | 91.7 | Very high | 40 Ų | 40 | 56.2 Ų | 56.2 | 33% | 0.331 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.2 | -41 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I113 T114 R115 A121 | I113-A117 HydrophobicContact CB-CB 4.29Å; T114-A117 PolarHBondContact O-N 3.28Å; T114-A117 VanDerWaalsContact OG1-CB 3.31Å; T114-A117 WeakPolarHBondContact OG1-CB 3.42Å; T114-A117 PolarHBondContact OG1-N 2.95Å; T114-A117 VanDerWaalsContact OG1-N 3.1Å; R115-A117 VanDerWaalsContact C-N 3.32Å; R115-A117 PolarHBondContact O-N 2.84Å; A117-A121 WeakPolarHBondContact O-CB 3.21Å; A117-A121 PolarHBondContact O-N 2.8Å |
| 118 | A | 91.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.9 | -44.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | R108 I113 T114 R115 A121 F122 M137 | R108-A118 HydrophobicContact CG-CB 3.69Å; I113-A118 HydrophobicContact CD1-CB 3.85Å; I113-A118 HydrophobicContact CG1-CB 4.38Å; T114-A118 PolarHBondContact O-N 2.99Å; R115-A118 PolarHBondContact O-N 3.26Å; A118-A121 PolarHBondContact O-N 3.36Å; A118-F122 PolarHBondContact O-N 3.12Å; A118-M137 HydrophobicContact CB-CE 3.96Å; A118-M137 WeakPolarHBondContact O-CE 3.38Å |
| 119 | D | 93.9 | Very high | 91.6 | Very high | 41 Ų | 41 | 57.4 Ų | 57.4 | 22% | 0.219 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.5 | -43.7 | 178.2 | -67.3 | -17.3 | 0 | 0 | 0 | 110.5 | R115 A121 F122 F123 | R115-D119 WeakPolarHBondContact CG-OD2 3.35Å; R115-D119 IonicContact NE-OD2 3.17Å; R115-D119 WeakPolarHBondContact O-CB 3.49Å; R115-D119 PolarHBondContact O-N 3.03Å; D119-A121 VanDerWaalsContact C-N 3.35Å; D119-A121 PolarHBondContact O-N 3.12Å; D119-F122 WeakPolarHBondContact O-CB 3.39Å; D119-F122 PolarHBondContact O-N 3.32Å; D119-F122 VanDerWaalsContact O-N 3.15Å; D119-F123 HydrophobicContact CB-CD2 4.36Å; D119-F123 HydrophobicContact CB-CE2 4.14Å; D119-F123 WeakPolarHBondContact O-CD2 3.39Å; D119-F123 PolarHBondContact O-N 3.13Å |
| 120 | N | 91.8 | Very high | 91.6 | Very high | 98 Ų | 98 | 58.6 Ų | 58.6 | 52% | 0.524 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 174.2 | -72.4 | -16.8 | 0 | 0 | 0 | 112 | S116 F122 F123 S124 | S116-N120 VanDerWaalsContact O-CB 3.25Å; S116-N120 WeakPolarHBondContact O-CB 3.41Å; S116-N120 PolarHBondContact O-N 2.78Å; S116-N120 PolarHBondContact O-ND2 2.78Å; N120-F122 VanDerWaalsContact C-N 3.28Å; N120-F122 PolarHBondContact O-N 3.4Å; N120-F123 PolarHBondContact O-N 3.22Å; N120-S124 VanDerWaalsContact O-CB 3.27Å; N120-S124 WeakPolarHBondContact O-CB 3.39Å; N120-S124 PolarHBondContact O-N 3.42Å; N120-S124 PolarHBondContact O-OG 3.07Å |
| 121 | A | 90.7 | Very high | 91.4 | Very high | 4 Ų | 4 | 61.1 Ų | 61.1 | 3% | 0.033 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.9 | -37.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | A117 A118 D119 S124 R126 I149 | A117-A121 WeakPolarHBondContact O-CB 3.21Å; A117-A121 PolarHBondContact O-N 2.8Å; A118-A121 PolarHBondContact O-N 3.36Å; D119-A121 VanDerWaalsContact C-N 3.35Å; D119-A121 PolarHBondContact O-N 3.12Å; A121-S124 WeakPolarHBondContact CA-OG 3.45Å; A121-S124 PolarHBondContact O-OG 2.97Å; A121-R126 WeakPolarHBondContact O-CB 3.31Å; A121-R126 PolarHBondContact O-N 3.48Å; A121-I149 HydrophobicContact CB-CD1 4.2Å; A121-I149 HydrophobicContact CB-CG2 4Å |
| 122 | F | 93.2 | Very high | 91.5 | Very high | 39 Ų | 39 | 68 Ų | 68 | 17% | 0.171 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67.8 | -52.7 | 174.9 | 175.7 | -103.4 | 0 | 0 | 0 | 112.1 | A118 D119 N120 S124 N125 L134 M137 | A118-F122 PolarHBondContact O-N 3.12Å; D119-F122 WeakPolarHBondContact O-CB 3.39Å; D119-F122 PolarHBondContact O-N 3.32Å; D119-F122 VanDerWaalsContact O-N 3.15Å; N120-F122 VanDerWaalsContact C-N 3.28Å; N120-F122 PolarHBondContact O-N 3.4Å; F122-S124 PolarHBondContact O-N 3.35Å; F122-N125 WeakPolarHBondContact O-CA 3.48Å; F122-N125 PolarHBondContact O-N 3.2Å; F122-L134 HydrophobicContact CD2-CD2 4.06Å; F122-L134 HydrophobicContact CD2-CG 4.48Å; F122-L134 HydrophobicContact CE2-CD2 4.22Å; F122-L134 HydrophobicContact CE2-CG 4.24Å; F122-L134 WeakPolarHBondContact CE2-O 3.39Å; F122-M137 HydrophobicContact CB-CE 3.94Å; F122-M137 HydrophobicContact CB-CG 4.22Å; F122-M137 HydrophobicContact CB-SD 3.71Å; F122-M137 HydrophobicContact CD1-CB 3.99Å; F122-M137 HydrophobicContact CD1-CG 4.22Å; F122-M137 HydrophobicContact CD2-CB 3.86Å; F122-M137 HydrophobicContact CD2-CG 4.1Å; F122-M137 HydrophobicContact CD2-SD 3.66Å; F122-M137 HydrophobicContact CE1-CB 3.98Å; F122-M137 HydrophobicContact CE2-CB 3.85Å; F122-M137 HydrophobicContact CE2-SD 4.48Å; F122-M137 HydrophobicContact CG-CB 3.93Å; F122-M137 HydrophobicContact CG-CG 3.9Å; F122-M137 HydrophobicContact CG-SD 3.74Å; F122-M137 HydrophobicContact CZ-CB 3.92Å |
| 123 | F | 92.8 | Very high | 91.6 | Very high | 154 Ų | 154 | 68.5 Ų | 68.5 | 68% | 0.675 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -63.9 | -28.3 | 179.6 | -70 | -59.2 | 0 | 0 | 0 | 113.3 | D119 N120 N125 | D119-F123 HydrophobicContact CB-CD2 4.36Å; D119-F123 HydrophobicContact CB-CE2 4.14Å; D119-F123 WeakPolarHBondContact O-CD2 3.39Å; D119-F123 PolarHBondContact O-N 3.13Å; N120-F123 PolarHBondContact O-N 3.22Å; F123-N125 PolarHBondContact O-N 3.35Å |
| 124 | S | 90.2 | Very high | 91.7 | Very high | 54 Ų | 54 | 68 Ų | 68 | 38% | 0.378 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 9.7 | 172.4 | 53.8 | 0 | 0 | 0 | 0 | 113.6 | N120 A121 F122 R126 | N120-S124 VanDerWaalsContact O-CB 3.27Å; N120-S124 WeakPolarHBondContact O-CB 3.39Å; N120-S124 PolarHBondContact O-N 3.42Å; N120-S124 PolarHBondContact O-OG 3.07Å; A121-S124 WeakPolarHBondContact CA-OG 3.45Å; A121-S124 PolarHBondContact O-OG 2.97Å; F122-S124 PolarHBondContact O-N 3.35Å; S124-R126 PolarHBondContact O-N 2.89Å; S124-R126 PolarHBondContact OG-NE 2.95Å; S124-R126 PolarHBondContact OG-NH2 2.7Å |
| 125 | N | 91 | Very high | 91.8 | Very high | 100 Ų | 100 | 73 Ų | 73 | 54% | 0.535 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55 | 34 | -179 | -68.6 | -39 | 0 | 0 | 0 | 113.8 | F122 F123 R128 | F122-N125 WeakPolarHBondContact O-CA 3.48Å; F122-N125 PolarHBondContact O-N 3.2Å; F123-N125 PolarHBondContact O-N 3.35Å; N125-R128 VanDerWaalsContact O-CZ 3.27Å; N125-R128 PolarHBondContact O-NH1 2.94Å; N125-R128 PolarHBondContact O-NH2 2.79Å |
| 126 | R | 89.8 | Confident | 91.9 | Very high | 79 Ų | 79 | 71.4 Ų | 71.4 | 30% | 0.298 | 37% | 0.366 | S | S | . | . | trans | -99.3 | -11.9 | 179.5 | -70 | -175.4 | -63.5 | 178.7 | -4.2 | 114.1 | A121 S124 I149 V150 | A121-R126 WeakPolarHBondContact O-CB 3.31Å; A121-R126 PolarHBondContact O-N 3.48Å; S124-R126 PolarHBondContact O-N 2.89Å; S124-R126 PolarHBondContact OG-NE 2.95Å; S124-R126 PolarHBondContact OG-NH2 2.7Å; R126-I149 HydrophobicContact CB-CG2 4.49Å; R126-I149 WeakPolarHBondContact O-CA 3.39Å; R126-V150 HydrophobicContact CB-CB 4.39Å; R126-V150 WeakPolarHBondContact CB-O 3.47Å; R126-V150 WeakPolarHBondContact CD-O 3.2Å; R126-V150 PolarHBondContact O-N 2.83Å | ||
| 127 | C | 92.7 | Very high | 91.9 | Very high | 3 Ų | 3 | 68.9 Ų | 68.9 | 2% | 0.02 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 134.1 | 173.2 | -65 | 0 | 0 | 0 | 0 | 111 | F103 L134 D148 | F103-C127 HydrophobicContact CE1-CB 4Å; F103-C127 HydrophobicContact CZ-CB 4.04Å; C127-L134 HydrophobicContact CB-CB 4.04Å; C127-L134 HydrophobicContact CB-CD2 4.06Å; C127-L134 PolarHBondContact O-N 3.29Å; C127-D148 CarbonylContact C-O 3.49Å; C127-D148 WeakPolarHBondContact CA-O 3.49Å |
| 128 | R | 93 | Very high | 92.2 | Very high | 43 Ų | 43 | 67.9 Ų | 67.9 | 16% | 0.162 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 143.3 | 170.8 | -52.9 | -76.4 | 174.5 | -94.2 | -3.4 | 110.4 | N125 E132 D148 V150 | N125-R128 VanDerWaalsContact O-CZ 3.27Å; N125-R128 PolarHBondContact O-NH1 2.94Å; N125-R128 PolarHBondContact O-NH2 2.79Å; R128-E132 CarbonylContact C-O 3.55Å; R128-E132 WeakPolarHBondContact CA-O 3.41Å; R128-E132 WeakPolarHBondContact CB-O 3.47Å; R128-E132 WeakPolarHBondContact CD-O 3.48Å; R128-D148 HydrophobicContact CB-CB 4.17Å; R128-D148 PolarHBondContact N-O 3.43Å; R128-D148 PolarHBondContact O-N 2.81Å; R128-V150 HydrophobicContact CG-CG2 3.89Å |
| 129 | L | 94.4 | Very high | 92.3 | Very high | 30 Ų | 30 | 70 Ų | 70 | 16% | 0.157 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 122.3 | 169.6 | 178.4 | 64.7 | 0 | 0 | 0 | 107.5 | F103 G131 E132 L134 T139 D145 K146 L147 | F103-L129 HydrophobicContact CD2-CD1 4.19Å; F103-L129 HydrophobicContact CE2-CB 4.27Å; F103-L129 HydrophobicContact CE2-CD1 4.33Å; L129-G131 PolarHBondContact O-N 2.88Å; L129-E132 PolarHBondContact N-O 2.79Å; L129-E132 PolarHBondContact O-N 2.82Å; L129-L134 HydrophobicContact CB-CD1 4.08Å; L129-L134 HydrophobicContact CD2-CD1 4.3Å; L129-T139 HydrophobicContact CD2-CG2 4.08Å; L129-D145 HydrophobicContact CD1-CB 4.07Å; L129-K146 CarbonylContact C-O 3.23Å; L129-K146 WeakPolarHBondContact CA-O 3.21Å; L129-L147 HydrophobicContact CD1-CD1 4.22Å; L129-L147 HydrophobicContact CD1-CG 4.17Å |
| 130 | N | 92.6 | Very high | 92.4 | Very high | 76 Ų | 76 | 71.4 Ų | 71.4 | 41% | 0.406 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 25.3 | -176.5 | -62.6 | -32.2 | 0 | 0 | 0 | 114.4 | D145 K146 | N130-D145 PolarHBondContact ND2-OD1 2.85Å; N130-D145 WeakPolarHBondContact OD1-CA 3.4Å; N130-K146 PolarHBondContact N-O 3.15Å; N130-K146 PolarHBondContact OD1-N 3.49Å |
| 131 | G | 89.2 | Confident | 92.6 | Very high | 53 Ų | 53 | 66.9 Ų | 66.9 | 55% | 0.546 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.6 | -15.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | L129 | L129-G131 PolarHBondContact O-N 2.88Š|
| 132 | E | 91.8 | Very high | 92.9 | Very high | 145 Ų | 145 | 74 Ų | 74 | 68% | 0.678 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 154.6 | -179.7 | -62.5 | -171.3 | 166.2 | 0 | 0 | 112.7 | R128 L129 L134 | R128-E132 CarbonylContact C-O 3.55Å; R128-E132 WeakPolarHBondContact CA-O 3.41Å; R128-E132 WeakPolarHBondContact CB-O 3.47Å; R128-E132 WeakPolarHBondContact CD-O 3.48Å; L129-E132 PolarHBondContact N-O 2.79Å; L129-E132 PolarHBondContact O-N 2.82Å; E132-L134 PolarHBondContact O-N 2.76Å |
| 133 | K | 92.1 | Very high | 93 | Very high | 124 Ų | 124 | 76.2 Ų | 76.2 | 54% | 0.539 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 127.6 | 176.2 | -59.7 | -161.8 | 174.4 | 171 | 0 | 110.5 | F135 | K133-F135 PolarHBondContact O-N 2.84Å |
| 134 | L | 92.7 | Very high | 93 | Very high | 13 Ų | 13 | 69.3 Ų | 69.3 | 7% | 0.068 | 35% | 0.351 | C | S | . | . | trans | -76.8 | 116 | 178.9 | -173.4 | 71.3 | 0 | 0 | 0 | 111 | F103 F122 C127 L129 E132 K136 M137 | F103-L134 HydrophobicContact CB-CD2 4.33Å; F103-L134 HydrophobicContact CD1-CD2 3.35Å; F103-L134 HydrophobicContact CD2-CD1 4.31Å; F103-L134 HydrophobicContact CD2-CD2 3.96Å; F103-L134 HydrophobicContact CE1-CD2 3.52Å; F103-L134 HydrophobicContact CE2-CD2 4.07Å; F103-L134 HydrophobicContact CG-CD1 4.48Å; F103-L134 HydrophobicContact CG-CD2 3.61Å; F103-L134 HydrophobicContact CZ-CD2 3.88Å; F122-L134 HydrophobicContact CD2-CD2 4.06Å; F122-L134 HydrophobicContact CD2-CG 4.48Å; F122-L134 HydrophobicContact CE2-CD2 4.22Å; F122-L134 HydrophobicContact CE2-CG 4.24Å; F122-L134 WeakPolarHBondContact CE2-O 3.39Å; C127-L134 HydrophobicContact CB-CB 4.04Å; C127-L134 HydrophobicContact CB-CD2 4.06Å; C127-L134 PolarHBondContact O-N 3.29Å; L129-L134 HydrophobicContact CB-CD1 4.08Å; L129-L134 HydrophobicContact CD2-CD1 4.3Å; E132-L134 PolarHBondContact O-N 2.76Å; L134-K136 WeakPolarHBondContact CD1-O 3.45Å; L134-K136 WeakPolarHBondContact CG-O 3.16Å; L134-M137 HydrophobicContact CD2-SD 3.96Å | ||
| 135 | F | 91.6 | Very high | 93.3 | Very high | 188 Ų | 188 | 67.7 Ų | 67.7 | 83% | 0.825 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -83.9 | -29.3 | 178.2 | -62.9 | -73.6 | 0 | 0 | 0 | 114.1 | K133 | K133-F135 PolarHBondContact O-N 2.84Š|
| 136 | K | 94.5 | Very high | 93.4 | Very high | 144 Ų | 144 | 65.5 Ų | 65.5 | 63% | 0.626 | 32% | 0.324 | S | S | * | . | trans | -131.2 | 120.4 | -177.5 | -173.1 | 179.1 | -177.7 | 180 | 0 | 110.3 | L134 G138 T139 | L134-K136 WeakPolarHBondContact CD1-O 3.45Å; L134-K136 WeakPolarHBondContact CG-O 3.16Å; K136-G138 PolarHBondContact O-N 3.38Å; K136-T139 PolarHBondContact O-N 3.23Å; K136-T139 PolarHBondContact O-OG1 3.41Å | ||
| 137 | M | 91.8 | Very high | 93.6 | Very high | 18 Ų | 18 | 61.8 Ų | 61.8 | 9% | 0.089 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -25.2 | -178.1 | -161.9 | 43.9 | 172.6 | 0 | 0 | 113 | F103 D104 A118 F122 L134 | F103-M137 HydrophobicContact CD1-CE 4.36Å; F103-M137 HydrophobicContact CD1-SD 3.77Å; F103-M137 HydrophobicContact CE1-SD 4.16Å; D104-M137 HydrophobicContact CB-CE 3.82Å; D104-M137 HydrophobicContact CB-CG 3.76Å; D104-M137 HydrophobicContact CB-SD 4.06Å; D104-M137 PolarHBondContact N-O 3.05Å; A118-M137 HydrophobicContact CB-CE 3.96Å; A118-M137 WeakPolarHBondContact O-CE 3.38Å; F122-M137 HydrophobicContact CB-CE 3.94Å; F122-M137 HydrophobicContact CB-CG 4.22Å; F122-M137 HydrophobicContact CB-SD 3.71Å; F122-M137 HydrophobicContact CD1-CB 3.99Å; F122-M137 HydrophobicContact CD1-CG 4.22Å; F122-M137 HydrophobicContact CD2-CB 3.86Å; F122-M137 HydrophobicContact CD2-CG 4.1Å; F122-M137 HydrophobicContact CD2-SD 3.66Å; F122-M137 HydrophobicContact CE1-CB 3.98Å; F122-M137 HydrophobicContact CE2-CB 3.85Å; F122-M137 HydrophobicContact CE2-SD 4.48Å; F122-M137 HydrophobicContact CG-CB 3.93Å; F122-M137 HydrophobicContact CG-CG 3.9Å; F122-M137 HydrophobicContact CG-SD 3.74Å; F122-M137 HydrophobicContact CZ-CB 3.92Å; L134-M137 HydrophobicContact CD2-SD 3.96Å |
| 138 | G | 93.7 | Very high | 93.6 | Very high | 19 Ų | 19 | 62.4 Ų | 62.4 | 20% | 0.196 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 17 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | K136 | K136-G138 PolarHBondContact O-N 3.38Š|
| 139 | T | 95.8 | Very high | 93.5 | Very high | 46 Ų | 46 | 61 Ų | 61 | 28% | 0.282 | 31% | 0.309 | S | S | . | . | trans | -61.3 | 138.8 | 174.8 | -61.3 | 0 | 0 | 0 | 0 | 110.6 | R102 F103 L129 K136 | R102-T139 CarbonylContact C-O 3.58Å; R102-T139 WeakPolarHBondContact CA-O 3.16Å; F103-T139 PolarHBondContact N-O 2.84Å; L129-T139 HydrophobicContact CD2-CG2 4.08Å; K136-T139 PolarHBondContact O-N 3.23Å; K136-T139 PolarHBondContact O-OG1 3.41Å | ||
| 140 | T | 95.8 | Very high | 93.2 | Very high | 70 Ų | 70 | 61.4 Ų | 61.4 | 43% | 0.429 | 31% | 0.313 | S | S | . | . | B | Isolated β-bridge | trans | -74.9 | 138.9 | 175.2 | 48 | 0 | 0 | 0 | 0 | 110.3 | L101 Y142 | L101-T140 CarbonylContact O-C 3.55Å; L101-T140 WeakPolarHBondContact O-CA 3.1Å; T140-Y142 PolarHBondContact OG1-OH 3.25Å |
| 141 | V | 96 | Very high | 92.5 | Very high | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.012 | 30% | 0.298 | C | S | . | . | trans | -106.9 | 141.3 | -177.2 | -179.9 | 0 | 0 | 0 | 0 | 109 | L101 F103 I106 D145 L147 V164 | L101-V141 PolarHBondContact O-N 3.41Å; F103-V141 VanDerWaalsContact CA-CG2 3.48Å; F103-V141 HydrophobicContact CB-CG2 3.93Å; F103-V141 HydrophobicContact CD2-CG2 4.41Å; I106-V141 HydrophobicContact CG1-CB 4.32Å; I106-V141 HydrophobicContact CG1-CG2 4.29Å; V141-D145 HydrophobicContact CG1-CB 3.82Å; V141-L147 HydrophobicContact CG1-CD1 3.77Å; V141-L147 HydrophobicContact CG1-CD2 4.37Å; V141-L147 HydrophobicContact CG2-CD2 4.02Å; V141-V164 HydrophobicContact CG1-CG2 3.49Å; V141-V164 VanDerWaalsContact CG1-CG2 3.49Å | ||
| 142 | Y | 96.3 | Very high | 91.6 | Very high | 154 Ų | 154 | 61.2 Ų | 61.2 | 60% | 0.604 | 30% | 0.299 | S | S | * | . | trans | -117 | 170.7 | -179.8 | -58.9 | -77.4 | 0 | 0 | 0 | 111.7 | T140 D145 V164 | T140-Y142 PolarHBondContact OG1-OH 3.25Å; Y142-D145 PolarHBondContact N-OD2 3.41Å; Y142-D145 WeakPolarHBondContact O-CB 3.37Å; Y142-D145 PolarHBondContact O-N 2.87Å; Y142-V164 WeakPolarHBondContact O-CB 3.07Å | ||
| 143 | I | 94.9 | Very high | 90.3 | Very high | 86 Ų | 86 | 61.8 Ų | 61.8 | 44% | 0.441 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 138.1 | 174.2 | -64.4 | 169.1 | 0 | 0 | 0 | 109.1 | D145 L165 I167 | I143-D145 VanDerWaalsContact C-N 3.31Å; I143-D145 PolarHBondContact O-N 2.89Å; I143-L165 VanDerWaalsContact CG2-O 3.29Å; I143-L165 WeakPolarHBondContact CG2-O 3.18Å; I143-I167 HydrophobicContact CD1-CB 4.34Å; I143-I167 HydrophobicContact CG1-CB 4.14Å; I143-I167 HydrophobicContact CG1-CD1 3.94Å; I143-I167 HydrophobicContact CG1-CG1 3.77Å |
| 144 | G | 93.5 | Very high | 88.6 | Confident | 8 Ų | 8 | 61.2 Ų | 61.2 | 8% | 0.082 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | -17.2 | -178 | 0 | 0 | 0 | 0 | 0 | 114.9 | R163 V164 | G144-R163 PolarHBondContact O-NH1 3.39Å; G144-V164 WeakPolarHBondContact CA-O 3.32Å; G144-V164 PolarHBondContact N-O 3.25Å |
| 145 | D | 95.5 | Very high | 86.7 | Confident | 21 Ų | 21 | 70.4 Ų | 70.4 | 11% | 0.112 | 36% | 0.356 | C | S | . | . | trans | -61.6 | 139 | -178.4 | -80.2 | -20 | 0 | 0 | 0 | 112.5 | L129 N130 V141 Y142 I143 L147 R163 V164 | L129-D145 HydrophobicContact CD1-CB 4.07Å; N130-D145 PolarHBondContact ND2-OD1 2.85Å; N130-D145 WeakPolarHBondContact OD1-CA 3.4Å; V141-D145 HydrophobicContact CG1-CB 3.82Å; Y142-D145 PolarHBondContact N-OD2 3.41Å; Y142-D145 WeakPolarHBondContact O-CB 3.37Å; Y142-D145 PolarHBondContact O-N 2.87Å; I143-D145 VanDerWaalsContact C-N 3.31Å; I143-D145 PolarHBondContact O-N 2.89Å; D145-L147 HydrophobicContact CB-CD1 3.93Å; D145-R163 WeakPolarHBondContact O-CA 3.31Å; D145-V164 PolarHBondContact O-N 2.99Å; D145-V164 VanDerWaalsContact O-N 3.14Å | ||
| 146 | K | 93.6 | Very high | 84.9 | Confident | 54 Ų | 54 | 63.2 Ų | 63.2 | 24% | 0.235 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 115.7 | 173.3 | -66.5 | -180 | -73.9 | -153.7 | 0 | 110.1 | E83 L129 N130 | E83-K146 IonicContact OE2-NZ 2.74Å; L129-K146 CarbonylContact C-O 3.23Å; L129-K146 WeakPolarHBondContact CA-O 3.21Å; N130-K146 PolarHBondContact N-O 3.15Å; N130-K146 PolarHBondContact OD1-N 3.49Å |
| 147 | L | 94.8 | Very high | 82.8 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 114.1 | 177.7 | -61.6 | 65.7 | 0 | 0 | 0 | 108.5 | F103 I106 I107 L129 V141 D145 R161 V162 V164 | F103-L147 HydrophobicContact CD2-CB 4.25Å; F103-L147 HydrophobicContact CD2-CD2 3.59Å; F103-L147 HydrophobicContact CD2-CG 3.62Å; F103-L147 HydrophobicContact CE2-CB 3.57Å; F103-L147 HydrophobicContact CE2-CD2 3.76Å; F103-L147 HydrophobicContact CE2-CG 3.45Å; F103-L147 VanDerWaalsContact CE2-CG 3.45Å; F103-L147 HydrophobicContact CG-CD2 4.16Å; F103-L147 HydrophobicContact CZ-CB 4.05Å; F103-L147 HydrophobicContact CZ-CD2 4.42Å; F103-L147 HydrophobicContact CZ-CG 4.33Å; I106-L147 HydrophobicContact CB-CD2 3.99Å; I106-L147 HydrophobicContact CG2-CD2 3.85Å; I107-L147 HydrophobicContact CB-CD2 4.33Å; I107-L147 HydrophobicContact CD1-CB 3.81Å; L129-L147 HydrophobicContact CD1-CD1 4.22Å; L129-L147 HydrophobicContact CD1-CG 4.17Å; V141-L147 HydrophobicContact CG1-CD1 3.77Å; V141-L147 HydrophobicContact CG1-CD2 4.37Å; V141-L147 HydrophobicContact CG2-CD2 4.02Å; D145-L147 HydrophobicContact CB-CD1 3.93Å; L147-R161 CarbonylContact O-C 3.52Å; L147-R161 WeakPolarHBondContact O-CA 3.29Å; L147-V162 HydrophobicContact CB-CB 4.32Å; L147-V162 PolarHBondContact N-O 2.9Å; L147-V162 PolarHBondContact O-N 2.93Å; L147-V164 HydrophobicContact CD1-CG2 4.05Å |
| 148 | D | 92.2 | Very high | 81.3 | Confident | 16 Ų | 16 | 65.4 Ų | 65.4 | 9% | 0.086 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 145.2 | -177 | -63.1 | -33.9 | 0 | 0 | 0 | 111.7 | C127 R128 K160 R161 | C127-D148 CarbonylContact C-O 3.49Å; C127-D148 WeakPolarHBondContact CA-O 3.49Å; R128-D148 HydrophobicContact CB-CB 4.17Å; R128-D148 PolarHBondContact N-O 3.43Å; R128-D148 PolarHBondContact O-N 2.81Å; D148-K160 CarbonylContact C-O 3.56Å; D148-K160 VanDerWaalsContact CA-O 3.29Å; D148-K160 WeakPolarHBondContact CA-O 3.31Å; D148-R161 VanDerWaalsContact OD1-CA 3.31Å; D148-R161 WeakPolarHBondContact OD1-CA 3.07Å; D148-R161 WeakPolarHBondContact OD1-CB 3.38Å; D148-R161 WeakPolarHBondContact OD1-CD 3.47Å; D148-R161 WeakPolarHBondContact OD1-CG 3.17Å; D148-R161 IonicContact OD1-CZ 3.96Å; D148-R161 IonicContact OD1-NE 3.6Å; D148-R161 PolarHBondContact OD1-NE 3.36Å; D148-R161 IonicContact OD1-NH2 3.69Å; D148-R161 IonicContact OD2-CZ 2.76Å; D148-R161 IonicContact OD2-NE 3.74Å; D148-R161 PolarHBondContact OD2-NE 3.02Å; D148-R161 IonicContact OD2-NH2 3.47Å; D148-R161 PolarHBondContact OD2-NH2 3.19Å |
| 149 | I | 90.9 | Very high | 80.4 | Confident | 15 Ų | 15 | 65.4 Ų | 65.4 | 8% | 0.077 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 113.1 | 161.5 | -59.7 | -177.3 | 0 | 0 | 0 | 107.6 | I107 L111 I113 A121 R126 G159 K160 | I107-I149 HydrophobicContact CD1-CD1 4.41Å; I107-I149 HydrophobicContact CD1-CG1 4.2Å; I107-I149 HydrophobicContact CG1-CD1 3.88Å; I107-I149 HydrophobicContact CG1-CG1 4.09Å; L111-I149 HydrophobicContact CD1-CB 4.44Å; L111-I149 HydrophobicContact CD1-CD1 3.59Å; L111-I149 HydrophobicContact CD1-CG1 3.95Å; I113-I149 HydrophobicContact CD1-CD1 3.52Å; A121-I149 HydrophobicContact CB-CD1 4.2Å; A121-I149 HydrophobicContact CB-CG2 4Å; R126-I149 HydrophobicContact CB-CG2 4.49Å; R126-I149 WeakPolarHBondContact O-CA 3.39Å; I149-G159 VanDerWaalsContact O-CA 3.3Å; I149-G159 WeakPolarHBondContact O-CA 3.49Å; I149-K160 HydrophobicContact CB-CB 4.39Å; I149-K160 PolarHBondContact N-O 3.28Å; I149-K160 PolarHBondContact O-N 2.89Å |
| 150 | V | 87.4 | Confident | 80 | Confident | 38 Ų | 38 | 64.1 Ų | 64.1 | 23% | 0.23 | 35% | 0.354 | C | S | . | . | trans | -68.7 | 131.9 | 172.9 | -177.8 | 0 | 0 | 0 | 0 | 108.6 | R126 R128 D152 | R126-V150 HydrophobicContact CB-CB 4.39Å; R126-V150 WeakPolarHBondContact CB-O 3.47Å; R126-V150 WeakPolarHBondContact CD-O 3.2Å; R126-V150 PolarHBondContact O-N 2.83Å; R128-V150 HydrophobicContact CG-CG2 3.89Å; V150-D152 WeakPolarHBondContact CG1-O 3.43Å | ||
| 151 | I | 77.6 | Confident | 79.8 | Confident | 20 Ų | 20 | 62.3 Ų | 62.3 | 10% | 0.103 | 34% | 0.339 | C | S | . | . | trans | -90.3 | -50.4 | -177.3 | -63.3 | 175.9 | 0 | 0 | 0 | 110.1 | V158 K160 Y187 | I151-V158 WeakPolarHBondContact CD1-O 3.41Å; I151-K160 HydrophobicContact CD1-CG 4.13Å; I151-K160 HydrophobicContact CG1-CG 4.49Å; I151-Y187 HydrophobicContact CG2-CD2 4.05Å; I151-Y187 HydrophobicContact CG2-CE2 3.41Å; I151-Y187 VanDerWaalsContact CG2-CE2 3.41Å | ||
| 152 | D | 70.6 | Confident | 79.7 | Confident | 105 Ų | 105 | 62.2 Ų | 62.2 | 56% | 0.561 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -131 | 156.5 | -180 | -60.5 | -36.8 | 0 | 0 | 0 | 110.2 | V150 T154 | V150-D152 WeakPolarHBondContact CG1-O 3.43Å; D152-T154 PolarHBondContact O-N 2.96Å; D152-T154 VanDerWaalsContact O-N 3.15Å |
| 153 | D | 64.1 | Low | 79.6 | Confident | 157 Ų | 157 | 55 Ų | 55 | 84% | 0.84 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -72.4 | 2.4 | 178.3 | -65.3 | -37.7 | 0 | 0 | 0 | 113.7 | E155 | D153-E155 PolarHBondContact O-N 3.1Š|
| 154 | T | 56.8 | Low | 79.7 | Confident | 112 Ų | 112 | 51 Ų | 51 | 69% | 0.687 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -64.2 | 127.5 | 175.6 | -36.2 | 0 | 0 | 0 | 0 | 109.2 | D152 G156 | D152-T154 PolarHBondContact O-N 2.96Å; D152-T154 VanDerWaalsContact O-N 3.15Å; T154-G156 PolarHBondContact O-N 3.45Å |
| 155 | E | 53.8 | Low | 79.7 | Confident | 205 Ų | 205 | 52 Ų | 52 | 96% | 0.958 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -59.5 | 8.8 | -163.3 | -61.1 | 177.4 | 167.8 | 0 | 0 | 117.5 | D153 | D153-E155 PolarHBondContact O-N 3.1Š|
| 156 | G | 52.6 | Low | 79.7 | Confident | 38 Ų | 38 | 53.3 Ų | 53.3 | 39% | 0.392 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -105.1 | 151.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | T154 V158 | T154-G156 PolarHBondContact O-N 3.45Å; G156-V158 PolarHBondContact O-N 2.95Å |
| 157 | P | 50.8 | Low | 79.7 | Confident | 90 Ų | 90 | 52.4 Ų | 52.4 | 58% | 0.584 | 30% | 0.297 | S | S | * | . | trans | -77 | 49 | 178.4 | 37.4 | -38.5 | 0 | 0 | 0 | 111.1 | F87 G159 | F87-P157 HydrophobicContact CE2-CB 4.04Å; F87-P157 HydrophobicContact CE2-CG 4.33Å; F87-P157 WeakPolarHBondContact CE2-O 3.15Å; P157-G159 PolarHBondContact O-N 3.17Å | ||
| 158 | V | 60.3 | Low | 79.7 | Confident | 118 Ų | 118 | 56.2 Ų | 56.2 | 72% | 0.715 | 31% | 0.314 | S | S | * | . | trans | -78.8 | 44.6 | 174.4 | -163.3 | 0 | 0 | 0 | 0 | 109.4 | I151 G156 | I151-V158 WeakPolarHBondContact CD1-O 3.41Å; G156-V158 PolarHBondContact O-N 2.95Å | ||
| 159 | G | 75.4 | Confident | 79.7 | Confident | 19 Ų | 19 | 61.3 Ų | 61.3 | 20% | 0.196 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -100.3 | 174.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I149 P157 | I149-G159 VanDerWaalsContact O-CA 3.3Å; I149-G159 WeakPolarHBondContact O-CA 3.49Å; P157-G159 PolarHBondContact O-N 3.17Å |
| 160 | K | 87.2 | Confident | 79.6 | Confident | 19 Ų | 19 | 65.4 Ų | 65.4 | 8% | 0.083 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 127.9 | 165.6 | -58.2 | -177.1 | -179.5 | -175.8 | 0 | 108 | L111 D148 I149 I151 Y188 | L111-K160 HydrophobicContact CD1-CB 3.49Å; L111-K160 VanDerWaalsContact CD1-CB 3.49Å; L111-K160 HydrophobicContact CD1-CD 3.9Å; L111-K160 HydrophobicContact CD1-CG 4.35Å; L111-K160 HydrophobicContact CD2-CB 3.76Å; L111-K160 HydrophobicContact CG-CB 4.26Å; D148-K160 CarbonylContact C-O 3.56Å; D148-K160 VanDerWaalsContact CA-O 3.29Å; D148-K160 WeakPolarHBondContact CA-O 3.31Å; I149-K160 HydrophobicContact CB-CB 4.39Å; I149-K160 PolarHBondContact N-O 3.28Å; I149-K160 PolarHBondContact O-N 2.89Å; I151-K160 HydrophobicContact CD1-CG 4.13Å; I151-K160 HydrophobicContact CG1-CG 4.49Å; K160-Y188 PolarHBondContact NZ-OH 2.78Å |
| 161 | R | 91.2 | Very high | 79.6 | Confident | 31 Ų | 31 | 70.9 Ų | 70.9 | 12% | 0.117 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 145.6 | 179.9 | 178.2 | 164.7 | -71.7 | 173.7 | 1.5 | 111.3 | F87 L147 D148 W182 | F87-R161 HydrophobicContact CD1-CB 4.49Å; F87-R161 HydrophobicContact CE1-CB 3.69Å; F87-R161 HydrophobicContact CE1-CG 4.4Å; F87-R161 HydrophobicContact CZ-CB 3.83Å; L147-R161 CarbonylContact O-C 3.52Å; L147-R161 WeakPolarHBondContact O-CA 3.29Å; D148-R161 VanDerWaalsContact OD1-CA 3.31Å; D148-R161 WeakPolarHBondContact OD1-CA 3.07Å; D148-R161 WeakPolarHBondContact OD1-CB 3.38Å; D148-R161 WeakPolarHBondContact OD1-CD 3.47Å; D148-R161 WeakPolarHBondContact OD1-CG 3.17Å; D148-R161 IonicContact OD1-CZ 3.96Å; D148-R161 IonicContact OD1-NE 3.6Å; D148-R161 PolarHBondContact OD1-NE 3.36Å; D148-R161 IonicContact OD1-NH2 3.69Å; D148-R161 IonicContact OD2-CZ 2.76Å; D148-R161 IonicContact OD2-NE 3.74Å; D148-R161 PolarHBondContact OD2-NE 3.02Å; D148-R161 IonicContact OD2-NH2 3.47Å; D148-R161 PolarHBondContact OD2-NH2 3.19Å; R161-W182 HydrophobicContact CB-CB 4.34Å; R161-W182 HydrophobicContact CB-CD2 4.2Å; R161-W182 HydrophobicContact CB-CE3 3.65Å; R161-W182 HydrophobicContact CB-CZ3 4.29Å; R161-W182 HydrophobicContact CG-CD2 4.43Å; R161-W182 HydrophobicContact CG-CE3 3.58Å; R161-W182 HydrophobicContact CG-CZ3 3.68Å; R161-W182 PolarHBondContact O-N 2.57Å |
| 162 | V | 94.6 | Very high | 79.8 | Confident | 0 Ų | 0 | 77.9 Ų | 77.9 | 0% | 0 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 124.3 | 166.7 | 179.3 | 0 | 0 | 0 | 0 | 107.8 | I107 L111 L147 L179 R180 | I107-V162 HydrophobicContact CD1-CB 4.33Å; I107-V162 HydrophobicContact CD1-CG2 3.9Å; L111-V162 HydrophobicContact CD1-CG2 4.46Å; L111-V162 HydrophobicContact CD2-CG2 3.51Å; L111-V162 HydrophobicContact CG-CG2 3.6Å; L147-V162 HydrophobicContact CB-CB 4.32Å; L147-V162 PolarHBondContact N-O 2.9Å; L147-V162 PolarHBondContact O-N 2.93Å; V162-L179 HydrophobicContact CG1-CB 4.15Å; V162-L179 HydrophobicContact CG1-CD1 4.07Å; V162-L179 HydrophobicContact CG1-CD2 4.08Å; V162-L179 HydrophobicContact CG1-CG 4.34Å; V162-R180 CarbonylContact C-O 3.59Å; V162-R180 VanDerWaalsContact CA-O 3.31Å; V162-R180 WeakPolarHBondContact CA-O 3.48Å |
| 163 | R | 94.7 | Very high | 80.6 | Confident | 4 Ų | 4 | 78.5 Ų | 78.5 | 2% | 0.015 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 138.2 | 166.9 | -176.1 | 174.5 | -60.6 | -103 | 24.6 | 109.8 | E83 D84 G144 D145 L179 R180 W182 | E83-R163 IonicContact OE2-NH2 3.95Å; E83-R163 PolarHBondContact OE2-NH2 3.18Å; E83-R163 VanDerWaalsContact OE2-NH2 3.1Å; D84-R163 VanDerWaalsContact CG-NE 3.26Å; D84-R163 IonicContact OD1-CZ 3.18Å; D84-R163 IonicContact OD1-NE 2.71Å; D84-R163 PolarHBondContact OD1-NE 3.27Å; D84-R163 IonicContact OD1-NH2 3.69Å; D84-R163 PolarHBondContact OD1-NH2 2.89Å; D84-R163 WeakPolarHBondContact OD2-CD 3.03Å; D84-R163 IonicContact OD2-NE 3.08Å; D84-R163 PolarHBondContact OD2-NE 3.36Å; D84-R163 VanDerWaalsContact OD2-NE 3.08Å; G144-R163 PolarHBondContact O-NH1 3.39Å; D145-R163 WeakPolarHBondContact O-CA 3.31Å; R163-L179 CarbonylContact O-C 3.57Å; R163-L179 WeakPolarHBondContact O-CA 3.46Å; R163-R180 HydrophobicContact CB-CB 4.34Å; R163-R180 PolarHBondContact N-O 3.47Å; R163-R180 PolarHBondContact O-N 3.22Å; R163-W182 HydrophobicContact CB-CH2 4.35Å; R163-W182 HydrophobicContact CB-CZ3 4.05Å |
| 164 | V | 96.1 | Very high | 82 | Confident | 2 Ų | 2 | 75.6 Ų | 75.6 | 1% | 0.012 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 117.3 | 170.9 | -172.1 | 0 | 0 | 0 | 0 | 109.2 | I106 V141 Y142 G144 D145 L147 I167 L179 | I106-V164 HydrophobicContact CG2-CG2 4.14Å; V141-V164 HydrophobicContact CG1-CG2 3.49Å; V141-V164 VanDerWaalsContact CG1-CG2 3.49Å; Y142-V164 WeakPolarHBondContact O-CB 3.07Å; G144-V164 WeakPolarHBondContact CA-O 3.32Å; G144-V164 PolarHBondContact N-O 3.25Å; D145-V164 PolarHBondContact O-N 2.99Å; D145-V164 VanDerWaalsContact O-N 3.14Å; L147-V164 HydrophobicContact CD1-CG2 4.05Å; V164-I167 HydrophobicContact CG1-CD1 3.83Å; V164-I167 HydrophobicContact CG1-CG1 3.62Å; V164-L179 HydrophobicContact CB-CD2 4.19Å; V164-L179 HydrophobicContact CG1-CD2 4.18Å; V164-L179 HydrophobicContact CG2-CD2 3.79Å |
| 165 | L | 94.1 | Very high | 83.8 | Confident | 28 Ų | 28 | 72.1 Ų | 72.1 | 15% | 0.147 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | -44.3 | -179.4 | -64.9 | 174.3 | 0 | 0 | 0 | 111.5 | Q93 I143 S178 R180 | Q93-L165 HydrophobicContact CG-CD1 4.07Å; Q93-L165 VanDerWaalsContact NE2-CD1 3.32Å; I143-L165 VanDerWaalsContact CG2-O 3.29Å; I143-L165 WeakPolarHBondContact CG2-O 3.18Å; L165-S178 WeakPolarHBondContact CB-O 3.46Å; L165-S178 PolarHBondContact N-O 3.37Å; L165-R180 HydrophobicContact CD1-CB 4.04Å; L165-R180 HydrophobicContact CG-CB 4.24Å |
| 166 | D | 93.8 | Very high | 85.8 | Confident | 49 Ų | 49 | 65.6 Ų | 65.6 | 26% | 0.262 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 150.1 | -176.7 | 177.8 | 38.4 | 0 | 0 | 0 | 111 | K168 I177 S178 | D166-K168 WeakPolarHBondContact OD2-CE 3.42Å; D166-K168 WeakPolarHBondContact OD2-CG 3.39Å; D166-I177 WeakPolarHBondContact O-CA 3.45Å; D166-S178 PolarHBondContact N-O 2.95Å; D166-S178 PolarHBondContact O-N 3.43Å |
| 167 | I | 94.9 | Very high | 87.9 | Confident | 34 Ų | 34 | 63.8 Ų | 63.8 | 17% | 0.174 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 106.6 | 179.6 | -54.7 | 175.3 | 0 | 0 | 0 | 108.8 | L101 I143 V164 Y175 I177 | L101-I167 HydrophobicContact CD1-CD1 4.19Å; L101-I167 HydrophobicContact CD1-CG2 3.87Å; L101-I167 HydrophobicContact CD2-CD1 4.23Å; L101-I167 HydrophobicContact CD2-CG2 3.65Å; L101-I167 HydrophobicContact CG-CG2 4.4Å; I143-I167 HydrophobicContact CD1-CB 4.34Å; I143-I167 HydrophobicContact CG1-CB 4.14Å; I143-I167 HydrophobicContact CG1-CD1 3.94Å; I143-I167 HydrophobicContact CG1-CG1 3.77Å; V164-I167 HydrophobicContact CG1-CD1 3.83Å; V164-I167 HydrophobicContact CG1-CG1 3.62Å; I167-Y175 HydrophobicContact CG2-CD1 4.21Å; I167-I177 HydrophobicContact CG1-CG2 4.26Å; I167-I177 HydrophobicContact CG2-CG2 4.19Å |
| 168 | K | 94.1 | Very high | 90 | Very high | 81 Ų | 81 | 60.7 Ų | 60.7 | 35% | 0.352 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 122.2 | 173.1 | -62.4 | -176.3 | 177.3 | -168.1 | 0 | 110.6 | E72 D166 Y175 K176 | E72-K168 IonicContact OE1-NZ 2.6Å; E72-K168 PolarHBondContact OE1-NZ 2.84Å; D166-K168 WeakPolarHBondContact OD2-CE 3.42Å; D166-K168 WeakPolarHBondContact OD2-CG 3.39Å; K168-Y175 CarbonylContact O-C 3.58Å; K168-Y175 WeakPolarHBondContact O-CA 3.43Å; K168-K176 HydrophobicContact CB-CB 4.34Å; K168-K176 PolarHBondContact N-O 3.13Å; K168-K176 PolarHBondContact O-N 3.13Å |
| 169 | Q | 92.3 | Very high | 91.7 | Very high | 123 Ų | 123 | 55.1 Ų | 55.1 | 58% | 0.575 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 117.6 | 175.3 | -174.8 | 169 | -2.5 | 0 | 0 | 110.1 | Y175 | Q169-Y175 HydrophobicContact CB-CD1 3.84Å; Q169-Y175 HydrophobicContact CB-CE1 3.88Å; Q169-Y175 VanDerWaalsContact CD-CE1 3.48Å; Q169-Y175 HydrophobicContact CG-CD1 3.88Å; Q169-Y175 HydrophobicContact CG-CE1 3.58Å |
| 170 | L | 89 | Confident | 92.6 | Very high | 101 Ų | 101 | 54.6 Ų | 54.6 | 53% | 0.529 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | -48.1 | -177 | -129.9 | 73 | 0 | 0 | 0 | 111.9 | Y97 K174 | Y97-L170 HydrophobicContact CE1-CD2 4.35Å; L170-K174 WeakPolarHBondContact CB-O 3.25Å; L170-K174 PolarHBondContact N-O 2.77Å |
| 171 | K | 87.5 | Confident | 92.9 | Very high | 153 Ų | 153 | 53.7 Ų | 53.7 | 67% | 0.665 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 171 | 177.2 | -64.4 | -171.3 | 177.9 | -172 | 0 | 108.8 | N173 K174 | K171-N173 PolarHBondContact O-N 2.96Å; K171-K174 HydrophobicContact CB-CB 4.32Å; K171-K174 PolarHBondContact N-O 2.73Å; K171-K174 PolarHBondContact O-N 3.24Å; K171-K174 VanDerWaalsContact O-N 3.1Å |
| 172 | Q | 82.3 | Confident | 92.9 | Very high | 166 Ų | 166 | 52.8 Ų | 52.8 | 78% | 0.776 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.6 | -38.1 | -177.2 | -72.2 | -177.4 | -9.5 | 0 | 0 | 114.3 | ||
| 173 | N | 87.4 | Confident | 92.4 | Very high | 118 Ų | 118 | 56.4 Ų | 56.4 | 63% | 0.631 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125 | 25.3 | -178.3 | -67.5 | -41.2 | 0 | 0 | 0 | 113.7 | K99 K171 | K99-N173 VanDerWaalsContact CA-O 3.29Å; K99-N173 WeakPolarHBondContact CA-O 3.04Å; K171-N173 PolarHBondContact O-N 2.96Å |
| 174 | K | 93.1 | Very high | 91.3 | Very high | 97 Ų | 97 | 59.9 Ų | 59.9 | 42% | 0.422 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 111.2 | 179.2 | -165.4 | 178.7 | -178.8 | -177.1 | 0 | 109.7 | Y97 L170 K171 | Y97-K174 HydrophobicContact CD1-CG 4.32Å; L170-K174 WeakPolarHBondContact CB-O 3.25Å; L170-K174 PolarHBondContact N-O 2.77Å; K171-K174 HydrophobicContact CB-CB 4.32Å; K171-K174 PolarHBondContact N-O 2.73Å; K171-K174 PolarHBondContact O-N 3.24Å; K171-K174 VanDerWaalsContact O-N 3.1Å |
| 175 | Y | 95.1 | Very high | 89.9 | Confident | 39 Ų | 39 | 66.9 Ų | 66.9 | 15% | 0.153 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 131.6 | 177.8 | -56.5 | -92 | 0 | 0 | 0 | 109.1 | Y97 V98 L101 I167 K168 Q169 | Y97-Y175 CarbonylContact C-O 3.56Å; Y97-Y175 VanDerWaalsContact CA-O 3.25Å; Y97-Y175 WeakPolarHBondContact CA-O 3.38Å; V98-Y175 PolarHBondContact N-O 3.12Å; V98-Y175 PolarHBondContact O-N 2.82Å; L101-Y175 HydrophobicContact CD1-CD1 4.06Å; L101-Y175 HydrophobicContact CD1-CE1 4.02Å; L101-Y175 HydrophobicContact CD2-CD1 4.02Å; L101-Y175 HydrophobicContact CD2-CD2 4.23Å; L101-Y175 HydrophobicContact CD2-CG 3.78Å; L101-Y175 HydrophobicContact CG-CD1 4.1Å; L101-Y175 HydrophobicContact CG-CD2 4.29Å; L101-Y175 HydrophobicContact CG-CE1 4.25Å; L101-Y175 HydrophobicContact CG-CE2 4.44Å; L101-Y175 HydrophobicContact CG-CG 4.12Å; I167-Y175 HydrophobicContact CG2-CD1 4.21Å; K168-Y175 CarbonylContact O-C 3.58Å; K168-Y175 WeakPolarHBondContact O-CA 3.43Å; Q169-Y175 HydrophobicContact CB-CD1 3.84Å; Q169-Y175 HydrophobicContact CB-CE1 3.88Å; Q169-Y175 VanDerWaalsContact CD-CE1 3.48Å; Q169-Y175 HydrophobicContact CG-CD1 3.88Å; Q169-Y175 HydrophobicContact CG-CE1 3.58Å |
| 176 | K | 96.3 | Very high | 88.2 | Confident | 67 Ų | 67 | 71.6 Ų | 71.6 | 29% | 0.291 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 119.9 | 165.7 | -173.7 | -177.3 | 179.7 | -172.2 | 0 | 106.7 | S96 Y97 K168 | S96-K176 WeakPolarHBondContact O-CA 3.31Å; Y97-K176 HydrophobicContact CD1-CB 3.99Å; Y97-K176 HydrophobicContact CD1-CG 4.37Å; Y97-K176 HydrophobicContact CE1-CB 3.72Å; Y97-K176 HydrophobicContact CE1-CD 4.22Å; Y97-K176 HydrophobicContact CE1-CG 3.83Å; K168-K176 HydrophobicContact CB-CB 4.34Å; K168-K176 PolarHBondContact N-O 3.13Å; K168-K176 PolarHBondContact O-N 3.13Å |
| 177 | I | 95.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 139.3 | -178.8 | 60.5 | 174.9 | 0 | 0 | 0 | 109.9 | S95 S96 V98 L101 I106 D166 I167 L179 | S95-I177 CarbonylContact C-O 3.46Å; S95-I177 VanDerWaalsContact CA-O 3.26Å; S95-I177 WeakPolarHBondContact CA-O 3.35Å; S96-I177 PolarHBondContact N-O 3.15Å; S96-I177 WeakPolarHBondContact O-CG1 3.27Å; S96-I177 PolarHBondContact O-N 3.38Å; S96-I177 WeakPolarHBondContact OG-CD1 3.36Å; S96-I177 VanDerWaalsContact OG-CG1 3.22Å; S96-I177 WeakPolarHBondContact OG-CG1 3.48Å; V98-I177 HydrophobicContact CB-CD1 4.35Å; V98-I177 HydrophobicContact CG1-CD1 3.51Å; V98-I177 HydrophobicContact CG1-CG1 4.3Å; V98-I177 HydrophobicContact CG2-CD1 3.9Å; V98-I177 HydrophobicContact CG2-CG1 4.33Å; V98-I177 HydrophobicContact CG2-CG2 3.82Å; L101-I177 HydrophobicContact CD2-CG2 3.98Å; I106-I177 HydrophobicContact CD1-CD1 3.43Å; I106-I177 VanDerWaalsContact CD1-CD1 3.43Å; I106-I177 HydrophobicContact CD1-CG2 4.39Å; D166-I177 WeakPolarHBondContact O-CA 3.45Å; I167-I177 HydrophobicContact CG1-CG2 4.26Å; I167-I177 HydrophobicContact CG2-CG2 4.19Å; I177-L179 HydrophobicContact CD1-CD1 3.77Å; I177-L179 HydrophobicContact CD1-CD2 4.19Å; I177-L179 HydrophobicContact CD1-CG 4.02Å; I177-L179 HydrophobicContact CG1-CD1 4.42Å; I177-L179 HydrophobicContact CG1-CG 4.24Å |
| 178 | S | 95.6 | Very high | 85.3 | Confident | 26 Ų | 26 | 74.1 Ų | 74.1 | 18% | 0.182 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 119 | 171.8 | -66.3 | 0 | 0 | 0 | 0 | 108.5 | L165 D166 | L165-S178 WeakPolarHBondContact CB-O 3.46Å; L165-S178 PolarHBondContact N-O 3.37Å; D166-S178 PolarHBondContact N-O 2.95Å; D166-S178 PolarHBondContact O-N 3.43Å |
| 179 | L | 95.9 | Very high | 83.9 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 141.3 | -174.9 | -57.2 | 179 | 0 | 0 | 0 | 110.4 | Q93 I94 I106 V162 R163 V164 I177 | Q93-L179 CarbonylContact C-O 3.56Å; Q93-L179 VanDerWaalsContact CA-O 3.32Å; Q93-L179 WeakPolarHBondContact CA-O 3.32Å; I94-L179 HydrophobicContact CD1-CD1 4.38Å; I94-L179 HydrophobicContact CG1-CB 3.89Å; I94-L179 HydrophobicContact CG1-CD1 4.49Å; I94-L179 PolarHBondContact N-O 2.9Å; I94-L179 PolarHBondContact O-N 3.27Å; I106-L179 HydrophobicContact CG2-CD1 4.1Å; I106-L179 HydrophobicContact CG2-CD2 3.85Å; V162-L179 HydrophobicContact CG1-CB 4.15Å; V162-L179 HydrophobicContact CG1-CD1 4.07Å; V162-L179 HydrophobicContact CG1-CD2 4.08Å; V162-L179 HydrophobicContact CG1-CG 4.34Å; R163-L179 CarbonylContact O-C 3.57Å; R163-L179 WeakPolarHBondContact O-CA 3.46Å; V164-L179 HydrophobicContact CB-CD2 4.19Å; V164-L179 HydrophobicContact CG1-CD2 4.18Å; V164-L179 HydrophobicContact CG2-CD2 3.79Å; I177-L179 HydrophobicContact CD1-CD1 3.77Å; I177-L179 HydrophobicContact CD1-CD2 4.19Å; I177-L179 HydrophobicContact CD1-CG 4.02Å; I177-L179 HydrophobicContact CG1-CD1 4.42Å; I177-L179 HydrophobicContact CG1-CG 4.24Å |
| 180 | R | 94.2 | Very high | 82.6 | Confident | 9 Ų | 9 | 74.8 Ų | 74.8 | 3% | 0.034 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 124.1 | 163.7 | -171.5 | 174.1 | -73.7 | 147.3 | 2.1 | 108.7 | D78 D84 F91 V162 R163 L165 W182 | D78-R180 IonicContact OD2-CZ 3.1Å; D78-R180 IonicContact OD2-NH1 3.93Å; D78-R180 PolarHBondContact OD2-NH1 3.19Å; D78-R180 IonicContact OD2-NH2 2.78Å; D78-R180 PolarHBondContact OD2-NH2 3.08Å; D84-R180 WeakPolarHBondContact OD2-CD 3.29Å; D84-R180 IonicContact OD2-CZ 3.25Å; D84-R180 IonicContact OD2-NE 2.87Å; D84-R180 IonicContact OD2-NH1 2.78Å; D84-R180 PolarHBondContact OD2-NH1 3.1Å; F91-R180 HydrophobicContact CB-CG 3.63Å; F91-R180 HydrophobicContact CD1-CG 4.39Å; F91-R180 HydrophobicContact CD2-CG 3.49Å; F91-R180 VanDerWaalsContact CD2-CG 3.49Å; F91-R180 HydrophobicContact CE2-CG 4.23Å; F91-R180 HydrophobicContact CG-CG 3.59Å; V162-R180 CarbonylContact C-O 3.59Å; V162-R180 VanDerWaalsContact CA-O 3.31Å; V162-R180 WeakPolarHBondContact CA-O 3.48Å; R163-R180 HydrophobicContact CB-CB 4.34Å; R163-R180 PolarHBondContact N-O 3.47Å; R163-R180 PolarHBondContact O-N 3.22Å; L165-R180 HydrophobicContact CD1-CB 4.04Å; L165-R180 HydrophobicContact CG-CB 4.24Å; R180-W182 HydrophobicContact CB-CH2 4.11Å; R180-W182 HydrophobicContact CB-CZ3 4.07Å; R180-W182 HydrophobicContact CG-CE3 4.43Å; R180-W182 HydrophobicContact CG-CH2 3.51Å; R180-W182 HydrophobicContact CG-CZ2 3.93Å; R180-W182 HydrophobicContact CG-CZ3 3.78Å; R180-W182 WeakPolarHBondContact O-CZ3 3.3Å |
| 181 | C | 93.4 | Very high | 81.3 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 130.7 | -169.6 | -56.5 | 0 | 0 | 0 | 0 | 111.4 | R92 G110 | R92-C181 PolarHBondContact N-O 3.32Å; R92-C181 PolarHBondContact O-N 3.35Å; G110-C181 WeakPolarHBondContact CA-SG 3.48Å; G110-C181 WeakPolarHBondContact O-CB 3.17Å; G110-C181 PolarHBondContact O-SG 3.36Å |
| 182 | W | 90.7 | Very high | 80.3 | Confident | 11 Ų | 11 | 71 Ų | 71 | 4% | 0.042 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 105 | 173.2 | -66.7 | -98.2 | 0 | 0 | 0 | 109 | D84 F87 S88 F91 R161 R163 R180 | D84-W182 HydrophobicContact CB-CH2 3.86Å; D84-W182 HydrophobicContact CB-CZ2 3.7Å; D84-W182 VanDerWaalsContact CG-CH2 3.45Å; D84-W182 WeakPolarHBondContact OD2-CH2 3.48Å; F87-W182 AromaticContact CD1-CD1 3.8Å; F87-W182 AromaticContact CD1-CD2 3.85Å; F87-W182 HydrophobicContact CD1-CD2 3.85Å; F87-W182 AromaticContact CD1-CE2 3.65Å; F87-W182 AromaticContact CD1-CG 3.9Å; F87-W182 HydrophobicContact CD1-CG 3.9Å; F87-W182 HydrophobicContact CD1-CZ2 4.22Å; F87-W182 AromaticContact CD1-NE1 3.58Å; F87-W182 HydrophobicContact CE1-CB 3.92Å; F87-W182 AromaticContact CE1-CD1 3.79Å; F87-W182 AromaticContact CE1-CD2 3.84Å; F87-W182 HydrophobicContact CE1-CD2 3.84Å; F87-W182 AromaticContact CE1-CG 3.58Å; F87-W182 HydrophobicContact CE1-CG 3.58Å; S88-W182 PolarHBondContact O-NE1 3.47Å; F91-W182 HydrophobicContact CB-CD2 3.97Å; F91-W182 HydrophobicContact CB-CG 4.21Å; F91-W182 HydrophobicContact CB-CZ2 3.97Å; F91-W182 HydrophobicContact CD1-CZ2 4.23Å; F91-W182 HydrophobicContact CG-CZ2 4.35Å; R161-W182 HydrophobicContact CB-CB 4.34Å; R161-W182 HydrophobicContact CB-CD2 4.2Å; R161-W182 HydrophobicContact CB-CE3 3.65Å; R161-W182 HydrophobicContact CB-CZ3 4.29Å; R161-W182 HydrophobicContact CG-CD2 4.43Å; R161-W182 HydrophobicContact CG-CE3 3.58Å; R161-W182 HydrophobicContact CG-CZ3 3.68Å; R161-W182 PolarHBondContact O-N 2.57Å; R163-W182 HydrophobicContact CB-CH2 4.35Å; R163-W182 HydrophobicContact CB-CZ3 4.05Å; R180-W182 HydrophobicContact CB-CH2 4.11Å; R180-W182 HydrophobicContact CB-CZ3 4.07Å; R180-W182 HydrophobicContact CG-CE3 4.43Å; R180-W182 HydrophobicContact CG-CH2 3.51Å; R180-W182 HydrophobicContact CG-CZ2 3.93Å; R180-W182 HydrophobicContact CG-CZ3 3.78Å; R180-W182 WeakPolarHBondContact O-CZ3 3.3Å |
| 183 | R | 84.3 | Confident | 79.4 | Confident | 77 Ų | 77 | 67.1 Ų | 67.1 | 29% | 0.291 | 32% | 0.319 | S | S | . | . | trans | -109.9 | 126.1 | 178.8 | -59.7 | -175.4 | -172.2 | -177.9 | 0.5 | 109 | V109 G110 L111 D112 H185 | V109-R183 PolarHBondContact O-NH2 2.93Å; G110-R183 VanDerWaalsContact O-CZ 3.29Å; G110-R183 PolarHBondContact O-NE 3.47Å; G110-R183 PolarHBondContact O-NH2 3.34Å; L111-R183 HydrophobicContact CD2-CG 4.44Å; D112-R183 VanDerWaalsContact CB-CZ 3.46Å; D112-R183 IonicContact OD2-NH1 2.93Å; R183-H185 PolarHBondContact O-N 2.72Å | ||
| 184 | N | 72.3 | Confident | 78.6 | Confident | 77 Ų | 77 | 67.2 Ų | 67.2 | 41% | 0.412 | 32% | 0.324 | S | S | . | . | trans | -91.7 | 95.1 | 168.8 | -162.3 | -12.2 | 0 | 0 | 0 | 109.5 | L186 Y187 | N184-L186 VanDerWaalsContact C-N 3.26Å; N184-L186 PolarHBondContact O-N 2.97Å; N184-Y187 WeakPolarHBondContact O-CB 3.33Å; N184-Y187 PolarHBondContact O-N 2.92Å; N184-Y187 VanDerWaalsContact O-N 3.13Å | ||
| 185 | H | 65.1 | Low | 77.5 | Confident | 149 Ų | 149 | 65 Ų | 65 | 69% | 0.69 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -62.3 | -35.5 | -178.7 | -168.2 | -88 | 0 | 0 | 0 | 112.1 | R183 Y187 Y188 | R183-H185 PolarHBondContact O-N 2.72Å; H185-Y187 PolarHBondContact O-N 3.29Å; H185-Y187 VanDerWaalsContact O-N 3.13Å; H185-Y188 PolarHBondContact O-N 3.48Å; H185-Y188 VanDerWaalsContact O-N 3.12Å |
| 186 | L | 59.5 | Low | 76.7 | Confident | 126 Ų | 126 | 70.2 Ų | 70.2 | 66% | 0.66 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -59.8 | -24.8 | 177.2 | -69.6 | 165.1 | 0 | 0 | 0 | 112.3 | N184 V189 K190 | N184-L186 VanDerWaalsContact C-N 3.26Å; N184-L186 PolarHBondContact O-N 2.97Å; L186-V189 PolarHBondContact O-N 3.09Å; L186-K190 PolarHBondContact O-N 3.41Å; L186-K190 VanDerWaalsContact O-N 3.08Å |
| 187 | Y | 63.4 | Low | 75.8 | Confident | 51 Ų | 51 | 70.7 Ų | 70.7 | 20% | 0.2 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -69.7 | -35.5 | 177.3 | -178.7 | -97 | 0 | 0 | 0 | 113 | I151 N184 H185 V189 K190 L191 | I151-Y187 HydrophobicContact CG2-CD2 4.05Å; I151-Y187 HydrophobicContact CG2-CE2 3.41Å; I151-Y187 VanDerWaalsContact CG2-CE2 3.41Å; N184-Y187 WeakPolarHBondContact O-CB 3.33Å; N184-Y187 PolarHBondContact O-N 2.92Å; N184-Y187 VanDerWaalsContact O-N 3.13Å; H185-Y187 PolarHBondContact O-N 3.29Å; H185-Y187 VanDerWaalsContact O-N 3.13Å; Y187-V189 PolarHBondContact O-N 3.4Å; Y187-K190 CarbonylContact O-C 3.55Å; Y187-K190 PolarHBondContact O-N 3.03Å; Y187-L191 HydrophobicContact CD1-CB 4.26Å; Y187-L191 HydrophobicContact CE1-CB 3.92Å; Y187-L191 HydrophobicContact CE1-CD1 4.17Å; Y187-L191 HydrophobicContact CE1-CD2 3.97Å; Y187-L191 HydrophobicContact CE1-CG 4.24Å; Y187-L191 VanDerWaalsContact O-CB 3.29Å; Y187-L191 WeakPolarHBondContact O-CB 3.29Å; Y187-L191 PolarHBondContact O-N 3.33Å |
| 188 | Y | 64.1 | Low | 75.3 | Confident | 85 Ų | 85 | 75.2 Ų | 75.2 | 33% | 0.333 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.9 | -36.4 | 178.1 | -72.1 | -87.9 | 0 | 0 | 0 | 111.3 | L111 I113 K160 H185 F192 | L111-Y188 PolarHBondContact O-OH 2.78Å; I113-Y188 WeakPolarHBondContact CG2-OH 3.46Å; K160-Y188 PolarHBondContact NZ-OH 2.78Å; H185-Y188 PolarHBondContact O-N 3.48Å; H185-Y188 VanDerWaalsContact O-N 3.12Å; Y188-F192 VanDerWaalsContact O-CB 3.27Å; Y188-F192 WeakPolarHBondContact O-CB 3.27Å; Y188-F192 PolarHBondContact O-N 2.73Å |
| 189 | V | 64.9 | Low | 74.7 | Confident | 77 Ų | 77 | 77.6 Ų | 77.6 | 47% | 0.467 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.7 | -49.1 | 172.9 | -175.8 | 0 | 0 | 0 | 0 | 110.1 | L186 Y187 L191 F192 L193 | L186-V189 PolarHBondContact O-N 3.09Å; Y187-V189 PolarHBondContact O-N 3.4Å; V189-L191 PolarHBondContact O-N 3.07Å; V189-F192 PolarHBondContact O-N 3.42Å; V189-L193 HydrophobicContact CG1-CD1 3.89Å; V189-L193 HydrophobicContact CG1-CG 4.41Å; V189-L193 WeakPolarHBondContact O-CB 3.22Å; V189-L193 VanDerWaalsContact O-CG 3.24Å; V189-L193 WeakPolarHBondContact O-CG 3.24Å; V189-L193 PolarHBondContact O-N 3.45Å |
| 190 | K | 63.9 | Low | 74.1 | Confident | 141 Ų | 141 | 78.3 Ų | 78.3 | 61% | 0.613 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -60.5 | -44.5 | 176.3 | -74.4 | -174 | 176.4 | -176.4 | 0 | 112.7 | L186 Y187 F192 L193 V194 | L186-K190 PolarHBondContact O-N 3.41Å; L186-K190 VanDerWaalsContact O-N 3.08Å; Y187-K190 CarbonylContact O-C 3.55Å; Y187-K190 PolarHBondContact O-N 3.03Å; K190-F192 VanDerWaalsContact C-N 3.32Å; K190-F192 PolarHBondContact O-N 3.26Å; K190-L193 PolarHBondContact O-N 2.98Å; K190-V194 VanDerWaalsContact O-CB 3.27Å; K190-V194 WeakPolarHBondContact O-CB 3.44Å; K190-V194 VanDerWaalsContact O-CG2 3.26Å; K190-V194 WeakPolarHBondContact O-CG2 3.26Å; K190-V194 PolarHBondContact O-N 3.36Å |
| 191 | L | 63.6 | Low | 73.7 | Confident | 84 Ų | 84 | 83.6 Ų | 83.6 | 44% | 0.44 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.9 | -37.1 | 178.3 | -173.2 | 72.5 | 0 | 0 | 0 | 111.3 | Y187 V189 G195 | Y187-L191 HydrophobicContact CD1-CB 4.26Å; Y187-L191 HydrophobicContact CE1-CB 3.92Å; Y187-L191 HydrophobicContact CE1-CD1 4.17Å; Y187-L191 HydrophobicContact CE1-CD2 3.97Å; Y187-L191 HydrophobicContact CE1-CG 4.24Å; Y187-L191 VanDerWaalsContact O-CB 3.29Å; Y187-L191 WeakPolarHBondContact O-CB 3.29Å; Y187-L191 PolarHBondContact O-N 3.33Å; V189-L191 PolarHBondContact O-N 3.07Å; L191-G195 WeakPolarHBondContact O-CA 3.27Å; L191-G195 PolarHBondContact O-N 3.16Å |
| 192 | F | 64.6 | Low | 73.6 | Confident | 92 Ų | 92 | 89.2 Ų | 89.2 | 40% | 0.404 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -67 | -44 | 174.8 | -170 | -93.8 | 0 | 0 | 0 | 111.3 | Y188 V189 K190 R196 L199 | Y188-F192 VanDerWaalsContact O-CB 3.27Å; Y188-F192 WeakPolarHBondContact O-CB 3.27Å; Y188-F192 PolarHBondContact O-N 2.73Å; V189-F192 PolarHBondContact O-N 3.42Å; K190-F192 VanDerWaalsContact C-N 3.32Å; K190-F192 PolarHBondContact O-N 3.26Å; F192-R196 PolarHBondContact O-N 2.87Å; F192-L199 HydrophobicContact CE1-CB 4.42Å; F192-L199 HydrophobicContact CZ-CB 4.15Å |
| 193 | L | 65.1 | Low | 73.4 | Confident | 84 Ų | 84 | 91.2 Ų | 91.2 | 44% | 0.44 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.7 | -44 | 179.1 | -68.6 | 172.9 | 0 | 0 | 0 | 112.8 | V189 K190 A200 | V189-L193 HydrophobicContact CG1-CD1 3.89Å; V189-L193 HydrophobicContact CG1-CG 4.41Å; V189-L193 WeakPolarHBondContact O-CB 3.22Å; V189-L193 VanDerWaalsContact O-CG 3.24Å; V189-L193 WeakPolarHBondContact O-CG 3.24Å; V189-L193 PolarHBondContact O-N 3.45Å; K190-L193 PolarHBondContact O-N 2.98Å; L193-A200 HydrophobicContact CD2-CB 3.61Å |
| 194 | V | 69.5 | Low | 73.6 | Confident | 120 Ų | 120 | 92.2 Ų | 92.2 | 73% | 0.727 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -84.1 | -39.5 | -176.8 | 176.2 | 0 | 0 | 0 | 0 | 111.8 | K190 R196 | K190-V194 VanDerWaalsContact O-CB 3.27Å; K190-V194 WeakPolarHBondContact O-CB 3.44Å; K190-V194 VanDerWaalsContact O-CG2 3.26Å; K190-V194 WeakPolarHBondContact O-CG2 3.26Å; K190-V194 PolarHBondContact O-N 3.36Å; V194-R196 VanDerWaalsContact C-N 3.34Å; V194-R196 PolarHBondContact O-N 3.32Å |
| 195 | G | 69.9 | Low | 74.7 | Confident | 50 Ų | 50 | 94.4 Ų | 94.4 | 52% | 0.515 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -74.8 | -23.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L191 | L191-G195 WeakPolarHBondContact O-CA 3.27Å; L191-G195 PolarHBondContact O-N 3.16Å |
| 196 | R | 78.6 | Confident | 76 | Confident | 149 Ų | 149 | 91.4 Ų | 91.4 | 56% | 0.562 | 48% | 0.477 | S | S | * | . | trans | -141.8 | 69.9 | 179.5 | -59.2 | -165.9 | -176.9 | 111 | -5.4 | 111.8 | F192 V194 P198 L199 A200 | F192-R196 PolarHBondContact O-N 2.87Å; V194-R196 VanDerWaalsContact C-N 3.34Å; V194-R196 PolarHBondContact O-N 3.32Å; R196-P198 VanDerWaalsContact C-N 3.33Å; R196-L199 HydrophobicContact CB-CB 4.13Å; R196-L199 HydrophobicContact CB-CD1 3.96Å; R196-L199 HydrophobicContact CB-CG 4.49Å; R196-L199 VanDerWaalsContact CD-CD1 3.44Å; R196-L199 HydrophobicContact CG-CD1 4.32Å; R196-L199 PolarHBondContact O-N 3.07Å; R196-A200 PolarHBondContact O-N 2.93Å; R196-A200 VanDerWaalsContact O-N 3.15Å | ||
| 197 | P | 78.1 | Confident | 77.7 | Confident | 77 Ų | 77 | 90.5 Ų | 90.5 | 50% | 0.5 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -49.2 | -40.2 | 179.1 | 16.3 | -27.4 | 0 | 0 | 0 | 115.3 | L199 A200 L201 | P197-L199 PolarHBondContact O-N 3.16Å; P197-A200 WeakPolarHBondContact O-CB 3.45Å; P197-A200 PolarHBondContact O-N 3.4Å; P197-L201 PolarHBondContact O-N 2.87Å; P197-L201 VanDerWaalsContact O-N 3.16Å |
| 198 | P | 85.2 | Confident | 79.2 | Confident | 95 Ų | 95 | 93.2 Ų | 93.2 | 62% | 0.617 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.9 | -34.5 | 178.7 | 25 | -35.5 | 0 | 0 | 0 | 113.5 | R196 F202 | R196-P198 VanDerWaalsContact C-N 3.33Å; P198-F202 PolarHBondContact O-N 3.15Å; P198-F202 VanDerWaalsContact O-N 3.07Å |
| 199 | L | 82.6 | Confident | 80.7 | Confident | 76 Ų | 76 | 91.6 Ų | 91.6 | 40% | 0.398 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -74 | -32.8 | 177.6 | -78.6 | 166.4 | 0 | 0 | 0 | 111.9 | F192 R196 P197 F202 S203 | F192-L199 HydrophobicContact CE1-CB 4.42Å; F192-L199 HydrophobicContact CZ-CB 4.15Å; R196-L199 HydrophobicContact CB-CB 4.13Å; R196-L199 HydrophobicContact CB-CD1 3.96Å; R196-L199 HydrophobicContact CB-CG 4.49Å; R196-L199 VanDerWaalsContact CD-CD1 3.44Å; R196-L199 HydrophobicContact CG-CD1 4.32Å; R196-L199 PolarHBondContact O-N 3.07Å; P197-L199 PolarHBondContact O-N 3.16Å; L199-F202 PolarHBondContact O-N 3.5Å; L199-S203 WeakPolarHBondContact O-CB 3.44Å; L199-S203 PolarHBondContact O-N 3.45Å; L199-S203 PolarHBondContact O-OG 3.29Å |
| 200 | A | 83.3 | Confident | 82.3 | Confident | 15 Ų | 15 | 90.2 Ų | 90.2 | 12% | 0.124 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -59.5 | -48.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111 | L193 R196 P197 F202 S203 L204 | L193-A200 HydrophobicContact CD2-CB 3.61Å; R196-A200 PolarHBondContact O-N 2.93Å; R196-A200 VanDerWaalsContact O-N 3.15Å; P197-A200 WeakPolarHBondContact O-CB 3.45Å; P197-A200 PolarHBondContact O-N 3.4Å; A200-F202 VanDerWaalsContact C-N 3.35Å; A200-F202 PolarHBondContact O-N 3.2Å; A200-S203 PolarHBondContact O-N 3.36Å; A200-S203 PolarHBondContact O-OG 3.35Å; A200-L204 PolarHBondContact O-N 3.38Å |
| 201 | L | 86.7 | Confident | 83.8 | Confident | 120 Ų | 120 | 87 Ų | 87 | 63% | 0.628 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61 | -42.1 | 176 | -67.6 | 175.1 | 0 | 0 | 0 | 112.3 | P197 L204 F205 | P197-L201 PolarHBondContact O-N 2.87Å; P197-L201 VanDerWaalsContact O-N 3.16Å; L201-L204 PolarHBondContact O-N 3.25Å; L201-F205 WeakPolarHBondContact O-CB 3.43Å; L201-F205 PolarHBondContact O-N 3.48Å |
| 202 | F | 89.8 | Confident | 85.3 | Confident | 118 Ų | 118 | 84.8 Ų | 84.8 | 52% | 0.518 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 175.6 | -177.9 | -108.3 | 0 | 0 | 0 | 112.2 | P198 L199 A200 L204 F205 L206 | P198-F202 PolarHBondContact O-N 3.15Å; P198-F202 VanDerWaalsContact O-N 3.07Å; L199-F202 PolarHBondContact O-N 3.5Å; A200-F202 VanDerWaalsContact C-N 3.35Å; A200-F202 PolarHBondContact O-N 3.2Å; F202-L204 VanDerWaalsContact C-N 3.33Å; F202-L204 PolarHBondContact O-N 2.92Å; F202-F205 PolarHBondContact O-N 3.47Å; F202-L206 HydrophobicContact CD1-CD1 3.96Å; F202-L206 HydrophobicContact CD1-CG 4.38Å; F202-L206 HydrophobicContact CE1-CD1 3.39Å; F202-L206 HydrophobicContact CE1-CG 4.02Å; F202-L206 HydrophobicContact CE2-CD2 4.32Å; F202-L206 HydrophobicContact CE2-CG 4.32Å; F202-L206 HydrophobicContact CZ-CD1 3.71Å; F202-L206 HydrophobicContact CZ-CD2 4.06Å; F202-L206 HydrophobicContact CZ-CG 3.98Å; F202-L206 WeakPolarHBondContact O-CG 3.42Å; F202-L206 PolarHBondContact O-N 3.17Å |
| 203 | S | 87.1 | Confident | 86.7 | Confident | 53 Ų | 53 | 86 Ų | 86 | 37% | 0.371 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.7 | -38.3 | 177.4 | 71.8 | 0 | 0 | 0 | 0 | 112.6 | L199 A200 L206 L207 | L199-S203 WeakPolarHBondContact O-CB 3.44Å; L199-S203 PolarHBondContact O-N 3.45Å; L199-S203 PolarHBondContact O-OG 3.29Å; A200-S203 PolarHBondContact O-N 3.36Å; A200-S203 PolarHBondContact O-OG 3.35Å; S203-L206 PolarHBondContact O-N 2.92Å; S203-L207 PolarHBondContact O-N 3.05Å; S203-L207 VanDerWaalsContact O-N 3.07Å |
| 204 | L | 89.4 | Confident | 88.1 | Confident | 97 Ų | 97 | 87.2 Ų | 87.2 | 51% | 0.508 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.5 | -42.5 | 174.7 | 178.9 | 64.5 | 0 | 0 | 0 | 111.2 | A200 L201 F202 L207 L208 | A200-L204 PolarHBondContact O-N 3.38Å; L201-L204 PolarHBondContact O-N 3.25Å; F202-L204 VanDerWaalsContact C-N 3.33Å; F202-L204 PolarHBondContact O-N 2.92Å; L204-L207 PolarHBondContact O-N 3.49Å; L204-L208 HydrophobicContact CG-CD1 4.49Å; L204-L208 WeakPolarHBondContact O-CG 3.3Å; L204-L208 PolarHBondContact O-N 3.4Å |
| 205 | F | 93.9 | Very high | 89.3 | Confident | 123 Ų | 123 | 85.1 Ų | 85.1 | 54% | 0.539 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.6 | -45.6 | 176.7 | -179.6 | -102.6 | 0 | 0 | 0 | 112 | L201 F202 L207 L208 C209 | L201-F205 WeakPolarHBondContact O-CB 3.43Å; L201-F205 PolarHBondContact O-N 3.48Å; F202-F205 PolarHBondContact O-N 3.47Å; F205-L207 VanDerWaalsContact C-N 3.29Å; F205-L207 PolarHBondContact O-N 3.4Å; F205-L208 PolarHBondContact O-N 2.97Å; F205-C209 VanDerWaalsContact CE1-SG 3.56Å; F205-C209 VanDerWaalsContact CZ-SG 3.59Å; F205-C209 PolarHBondContact O-N 3.24Å; F205-C209 PolarHBondContact O-SG 2.89Å; F205-C209 VanDerWaalsContact O-SG 3.4Å |
| 206 | L | 93.1 | Very high | 90.2 | Very high | 87 Ų | 87 | 87.5 Ų | 87.5 | 46% | 0.455 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.8 | -38.2 | 175.5 | -70.4 | -176.7 | 0 | 0 | 0 | 112.5 | F202 S203 C209 A210 | F202-L206 HydrophobicContact CD1-CD1 3.96Å; F202-L206 HydrophobicContact CD1-CG 4.38Å; F202-L206 HydrophobicContact CE1-CD1 3.39Å; F202-L206 HydrophobicContact CE1-CG 4.02Å; F202-L206 HydrophobicContact CE2-CD2 4.32Å; F202-L206 HydrophobicContact CE2-CG 4.32Å; F202-L206 HydrophobicContact CZ-CD1 3.71Å; F202-L206 HydrophobicContact CZ-CD2 4.06Å; F202-L206 HydrophobicContact CZ-CG 3.98Å; F202-L206 WeakPolarHBondContact O-CG 3.42Å; F202-L206 PolarHBondContact O-N 3.17Å; S203-L206 PolarHBondContact O-N 2.92Å; L206-C209 PolarHBondContact O-N 3Å; L206-A210 WeakPolarHBondContact O-CB 3.42Å; L206-A210 PolarHBondContact O-N 3Å |
| 207 | L | 94.3 | Very high | 90.6 | Very high | 107 Ų | 107 | 85.7 Ų | 85.7 | 56% | 0.56 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.5 | -45.6 | 175.3 | -165.8 | 163.6 | 0 | 0 | 0 | 110.8 | S203 L204 F205 C209 A210 V211 | S203-L207 PolarHBondContact O-N 3.05Å; S203-L207 VanDerWaalsContact O-N 3.07Å; L204-L207 PolarHBondContact O-N 3.49Å; F205-L207 VanDerWaalsContact C-N 3.29Å; F205-L207 PolarHBondContact O-N 3.4Å; L207-C209 PolarHBondContact O-N 3.31Å; L207-A210 PolarHBondContact O-N 2.92Å; L207-V211 HydrophobicContact CD2-CG2 3.99Å; L207-V211 WeakPolarHBondContact O-CG2 3.42Å; L207-V211 PolarHBondContact O-N 3.04Å |
| 208 | L | 95.9 | Very high | 91 | Very high | 107 Ų | 107 | 85.1 Ų | 85.1 | 56% | 0.56 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.7 | -40.8 | 175.8 | -69.6 | 172.9 | 0 | 0 | 0 | 112.3 | L204 F205 V211 G212 | L204-L208 HydrophobicContact CG-CD1 4.49Å; L204-L208 WeakPolarHBondContact O-CG 3.3Å; L204-L208 PolarHBondContact O-N 3.4Å; F205-L208 PolarHBondContact O-N 2.97Å; L208-V211 PolarHBondContact O-N 3.23Å; L208-G212 PolarHBondContact O-N 2.89Å |
| 209 | C | 96.2 | Very high | 91 | Very high | 51 Ų | 51 | 84.7 Ų | 84.7 | 35% | 0.345 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.6 | -44 | 173.2 | -71.6 | 0 | 0 | 0 | 0 | 111.8 | F205 L206 L207 V211 G212 L213 | F205-C209 VanDerWaalsContact CE1-SG 3.56Å; F205-C209 VanDerWaalsContact CZ-SG 3.59Å; F205-C209 PolarHBondContact O-N 3.24Å; F205-C209 PolarHBondContact O-SG 2.89Å; F205-C209 VanDerWaalsContact O-SG 3.4Å; L206-C209 PolarHBondContact O-N 3Å; L207-C209 PolarHBondContact O-N 3.31Å; C209-V211 PolarHBondContact O-N 2.86Å; C209-G212 PolarHBondContact O-N 2.69Å; C209-L213 WeakPolarHBondContact O-CG 3.31Å; C209-L213 PolarHBondContact O-N 2.95Å |
| 210 | A | 96.7 | Very high | 91 | Very high | 48 Ų | 48 | 84.7 Ų | 84.7 | 40% | 0.397 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.7 | -44.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L206 L207 G212 L213 I214 | L206-A210 WeakPolarHBondContact O-CB 3.42Å; L206-A210 PolarHBondContact O-N 3Å; L207-A210 PolarHBondContact O-N 2.92Å; A210-G212 VanDerWaalsContact C-N 3.34Å; A210-G212 PolarHBondContact O-N 2.6Å; A210-L213 PolarHBondContact O-N 3.01Å; A210-I214 VanDerWaalsContact O-CG1 3.3Å; A210-I214 WeakPolarHBondContact O-CG1 3.4Å; A210-I214 PolarHBondContact O-N 3.41Å |
| 211 | V | 95.9 | Very high | 90.7 | Very high | 73 Ų | 73 | 90.4 Ų | 90.4 | 44% | 0.442 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 174 | 174 | 0 | 0 | 0 | 0 | 111 | L207 L208 C209 L213 I214 V215 | L207-V211 HydrophobicContact CD2-CG2 3.99Å; L207-V211 WeakPolarHBondContact O-CG2 3.42Å; L207-V211 PolarHBondContact O-N 3.04Å; L208-V211 PolarHBondContact O-N 3.23Å; C209-V211 PolarHBondContact O-N 2.86Å; V211-L213 PolarHBondContact O-N 2.81Å; V211-I214 PolarHBondContact O-N 2.9Å; V211-V215 HydrophobicContact CG1-CG2 4.37Å; V211-V215 VanDerWaalsContact O-CG2 3.31Å; V211-V215 WeakPolarHBondContact O-CG2 3.41Å; V211-V215 PolarHBondContact O-N 3.38Å |
| 212 | G | 94.8 | Very high | 90.1 | Very high | 38 Ų | 38 | 91.6 Ų | 91.6 | 39% | 0.392 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.8 | -42.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L208 C209 A210 V215 L216 | L208-G212 PolarHBondContact O-N 2.89Å; C209-G212 PolarHBondContact O-N 2.69Å; A210-G212 VanDerWaalsContact C-N 3.34Å; A210-G212 PolarHBondContact O-N 2.6Å; G212-V215 PolarHBondContact O-N 3.33Å; G212-L216 WeakPolarHBondContact O-CB 2.86Å; G212-L216 PolarHBondContact O-N 3.35Å |
| 213 | L | 94.7 | Very high | 89.2 | Confident | 118 Ų | 118 | 91.1 Ų | 91.1 | 62% | 0.618 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67 | -40.4 | 176.4 | -66.8 | 175.3 | 0 | 0 | 0 | 112.1 | C209 A210 V211 V215 L216 D217 | C209-L213 WeakPolarHBondContact O-CG 3.31Å; C209-L213 PolarHBondContact O-N 2.95Å; A210-L213 PolarHBondContact O-N 3.01Å; V211-L213 PolarHBondContact O-N 2.81Å; L213-V215 VanDerWaalsContact C-N 3.34Å; L213-L216 PolarHBondContact O-N 2.92Å; L213-D217 WeakPolarHBondContact O-CB 3.49Å; L213-D217 PolarHBondContact O-N 2.9Å |
| 214 | I | 94.4 | Very high | 88 | Confident | 109 Ų | 109 | 91.7 Ų | 91.7 | 56% | 0.559 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.2 | -42.4 | 175.1 | -66.4 | 164.5 | 0 | 0 | 0 | 110.5 | A210 V211 D217 V218 | A210-I214 VanDerWaalsContact O-CG1 3.3Å; A210-I214 WeakPolarHBondContact O-CG1 3.4Å; A210-I214 PolarHBondContact O-N 3.41Å; V211-I214 PolarHBondContact O-N 2.9Å; I214-D217 PolarHBondContact O-N 3.4Å; I214-V218 VanDerWaalsContact O-CG2 3.31Å; I214-V218 WeakPolarHBondContact O-CG2 3.28Å; I214-V218 PolarHBondContact O-N 3.32Å |
| 215 | V | 94.2 | Very high | 86.5 | Confident | 76 Ų | 76 | 92 Ų | 92 | 46% | 0.461 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.3 | -42.9 | 176.3 | 171.7 | 0 | 0 | 0 | 0 | 111 | V211 G212 L213 V218 L219 | V211-V215 HydrophobicContact CG1-CG2 4.37Å; V211-V215 VanDerWaalsContact O-CG2 3.31Å; V211-V215 WeakPolarHBondContact O-CG2 3.41Å; V211-V215 PolarHBondContact O-N 3.38Å; G212-V215 PolarHBondContact O-N 3.33Å; L213-V215 VanDerWaalsContact C-N 3.34Å; V215-V218 PolarHBondContact O-N 3.48Å; V215-L219 HydrophobicContact CG1-CD1 3.91Å; V215-L219 HydrophobicContact CG1-CG 4.32Å; V215-L219 WeakPolarHBondContact O-CB 3.31Å; V215-L219 VanDerWaalsContact O-CG 3.26Å; V215-L219 WeakPolarHBondContact O-CG 3.38Å; V215-L219 PolarHBondContact O-N 3.35Å |
| 216 | L | 88.9 | Confident | 84.9 | Confident | 101 Ų | 101 | 93.4 Ų | 93.4 | 53% | 0.529 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60 | -46.1 | 176.1 | -175.4 | 74.3 | 0 | 0 | 0 | 111.4 | G212 L213 L219 V220 | G212-L216 WeakPolarHBondContact O-CB 2.86Å; G212-L216 PolarHBondContact O-N 3.35Å; L213-L216 PolarHBondContact O-N 2.92Å; L216-L219 PolarHBondContact O-N 3.18Å; L216-V220 HydrophobicContact CG-CG2 4.41Å; L216-V220 WeakPolarHBondContact O-CG2 3.35Å; L216-V220 PolarHBondContact O-N 3.45Å |
| 217 | D | 88 | Confident | 83.3 | Confident | 111 Ų | 111 | 93.5 Ų | 93.5 | 59% | 0.594 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -58.7 | -48.2 | 177.1 | -177.6 | 69.7 | 0 | 0 | 0 | 111.4 | L213 I214 L219 V220 N221 | L213-D217 WeakPolarHBondContact O-CB 3.49Å; L213-D217 PolarHBondContact O-N 2.9Å; I214-D217 PolarHBondContact O-N 3.4Å; D217-L219 VanDerWaalsContact C-N 3.3Å; D217-L219 PolarHBondContact O-N 2.88Å; D217-V220 PolarHBondContact O-N 2.75Å; D217-N221 VanDerWaalsContact O-CB 3.31Å; D217-N221 WeakPolarHBondContact O-CB 3.26Å; D217-N221 PolarHBondContact O-N 3.34Å |
| 218 | V | 86.8 | Confident | 81.7 | Confident | 64 Ų | 64 | 92.9 Ų | 92.9 | 39% | 0.388 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.6 | -38.9 | 175.3 | 172 | 0 | 0 | 0 | 0 | 111.8 | I214 V215 K222 | I214-V218 VanDerWaalsContact O-CG2 3.31Å; I214-V218 WeakPolarHBondContact O-CG2 3.28Å; I214-V218 PolarHBondContact O-N 3.32Å; V215-V218 PolarHBondContact O-N 3.48Å; V218-K222 HydrophobicContact CG1-CD 4.13Å; V218-K222 WeakPolarHBondContact O-CB 3.42Å; V218-K222 VanDerWaalsContact O-CG 3.28Å; V218-K222 WeakPolarHBondContact O-CG 3.31Å; V218-K222 PolarHBondContact O-N 2.91Å |
| 219 | L | 83.9 | Confident | 80.2 | Confident | 86 Ų | 86 | 92 Ų | 92 | 45% | 0.45 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.1 | -44.9 | 178.2 | -75.4 | 172.6 | 0 | 0 | 0 | 112.1 | V215 L216 D217 N221 K222 F223 | V215-L219 HydrophobicContact CG1-CD1 3.91Å; V215-L219 HydrophobicContact CG1-CG 4.32Å; V215-L219 WeakPolarHBondContact O-CB 3.31Å; V215-L219 VanDerWaalsContact O-CG 3.26Å; V215-L219 WeakPolarHBondContact O-CG 3.38Å; V215-L219 PolarHBondContact O-N 3.35Å; L216-L219 PolarHBondContact O-N 3.18Å; D217-L219 VanDerWaalsContact C-N 3.3Å; D217-L219 PolarHBondContact O-N 2.88Å; L219-N221 VanDerWaalsContact C-N 3.31Å; L219-N221 PolarHBondContact O-N 2.84Å; L219-K222 PolarHBondContact O-N 3.04Å; L219-F223 HydrophobicContact CD2-CD2 4.34Å; L219-F223 HydrophobicContact CD2-CE2 4.32Å; L219-F223 WeakPolarHBondContact O-CB 3.42Å; L219-F223 PolarHBondContact O-N 3.37Å |
| 220 | V | 83.1 | Confident | 78.8 | Confident | 77 Ų | 77 | 92.8 Ų | 92.8 | 47% | 0.467 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.7 | -36.9 | 178 | 171.4 | 0 | 0 | 0 | 0 | 111 | L216 D217 F223 P224 | L216-V220 HydrophobicContact CG-CG2 4.41Å; L216-V220 WeakPolarHBondContact O-CG2 3.35Å; L216-V220 PolarHBondContact O-N 3.45Å; D217-V220 PolarHBondContact O-N 2.75Å; V220-F223 CarbonylContact O-C 3.59Å; V220-F223 VanDerWaalsContact O-C 3.23Å; V220-P224 WeakPolarHBondContact O-CA 3.38Å; V220-P224 VanDerWaalsContact O-N 3.14Å |
| 221 | N | 76.9 | Confident | 77.4 | Confident | 135 Ų | 135 | 96.5 Ų | 96.5 | 72% | 0.722 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -71.1 | -33.3 | 177 | -167.5 | 42.3 | 0 | 0 | 0 | 112.4 | D217 L219 | D217-N221 VanDerWaalsContact O-CB 3.31Å; D217-N221 WeakPolarHBondContact O-CB 3.26Å; D217-N221 PolarHBondContact O-N 3.34Å; L219-N221 VanDerWaalsContact C-N 3.31Å; L219-N221 PolarHBondContact O-N 2.84Å |
| 222 | K | 74.4 | Confident | 76.3 | Confident | 145 Ų | 145 | 100.1 Ų | 100.1 | 63% | 0.63 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -79.5 | -37 | 176.3 | -76.8 | -176.1 | 178.1 | -173.7 | 0 | 113.3 | V218 L219 P224 | V218-K222 HydrophobicContact CG1-CD 4.13Å; V218-K222 WeakPolarHBondContact O-CB 3.42Å; V218-K222 VanDerWaalsContact O-CG 3.28Å; V218-K222 WeakPolarHBondContact O-CG 3.31Å; V218-K222 PolarHBondContact O-N 2.91Å; L219-K222 PolarHBondContact O-N 3.04Å; K222-P224 WeakPolarHBondContact O-CD 3.16Å |
| 223 | F | 70.1 | Confident | 75.1 | Confident | 107 Ų | 107 | 103.5 Ų | 103.5 | 47% | 0.469 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -122.6 | 77.3 | 179.3 | -56.3 | -79.1 | 0 | 0 | 0 | 107.3 | L219 V220 | L219-F223 HydrophobicContact CD2-CD2 4.34Å; L219-F223 HydrophobicContact CD2-CE2 4.32Å; L219-F223 WeakPolarHBondContact O-CB 3.42Å; L219-F223 PolarHBondContact O-N 3.37Å; V220-F223 CarbonylContact O-C 3.59Å; V220-F223 VanDerWaalsContact O-C 3.23Å |
| 224 | P | 61.9 | Low | 74.1 | Confident | 65 Ų | 65 | 102.6 Ų | 102.6 | 42% | 0.422 | 54% | 0.537 | S | S | . | . | trans | -53 | 131.2 | 170.9 | 22.8 | -32 | 0 | 0 | 0 | 107.2 | V220 K222 N226 F374 | V220-P224 WeakPolarHBondContact O-CA 3.38Å; V220-P224 VanDerWaalsContact O-N 3.14Å; K222-P224 WeakPolarHBondContact O-CD 3.16Å; P224-N226 PolarHBondContact O-N 3.39Å; P224-N226 VanDerWaalsContact O-N 3.08Å; P224-F374 HydrophobicContact CG-CE2 4.42Å | ||
| 225 | P | 58.6 | Low | 73.2 | Confident | 104 Ų | 104 | 101 Ų | 101 | 68% | 0.675 | 53% | 0.529 | S | S | * | . | trans | -54.7 | 124.2 | 180 | 21.6 | -31.8 | 0 | 0 | 0 | 108.1 | N227 | P225-N227 PolarHBondContact O-N 2.91Š| ||
| 226 | N | 60.3 | Low | 72.4 | Confident | 152 Ų | 152 | 101.3 Ų | 101.3 | 81% | 0.813 | 52% | 0.524 | S | S | * | . | trans | -53.6 | 109.1 | 174.5 | -74.1 | -8.6 | 0 | 0 | 0 | 107.1 | P224 P228 | P224-N226 PolarHBondContact O-N 3.39Å; P224-N226 VanDerWaalsContact O-N 3.08Å; N226-P228 WeakPolarHBondContact O-CD 3.39Å; N226-P228 VanDerWaalsContact O-N 3.15Å | ||
| 227 | N | 59.4 | Low | 71.9 | Confident | 90 Ų | 90 | 97.4 Ų | 97.4 | 48% | 0.481 | 50% | 0.504 | S | S | . | . | trans | -72.2 | 110.2 | -179.1 | -170.4 | -2.3 | 0 | 0 | 0 | 107 | P225 D229 V230 | P225-N227 PolarHBondContact O-N 2.91Å; N227-D229 PolarHBondContact O-N 3.1Å; N227-D229 VanDerWaalsContact O-N 3.11Å; N227-V230 HydrophobicContact CB-CB 4.39Å; N227-V230 HydrophobicContact CB-CG2 3.78Å; N227-V230 WeakPolarHBondContact O-CB 3.22Å; N227-V230 PolarHBondContact O-N 2.71Å | ||
| 228 | P | 60.6 | Low | 71.4 | Confident | 93 Ų | 93 | 93.1 Ų | 93.1 | 60% | 0.604 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -61.6 | -25.2 | -173.8 | 26.2 | -35.4 | 0 | 0 | 0 | 111.9 | N226 V230 E231 K232 | N226-P228 WeakPolarHBondContact O-CD 3.39Å; N226-P228 VanDerWaalsContact O-N 3.15Å; P228-V230 VanDerWaalsContact C-N 3.27Å; P228-V230 PolarHBondContact O-N 3.37Å; P228-E231 PolarHBondContact O-N 3.24Å; P228-K232 PolarHBondContact O-N 2.81Å; P228-K232 VanDerWaalsContact O-N 3.1Å |
| 229 | D | 63.6 | Low | 70.9 | Confident | 88 Ų | 88 | 96 Ų | 96 | 47% | 0.471 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.8 | -33.2 | 175.4 | -67.9 | -25.5 | 0 | 0 | 0 | 112.1 | N227 K232 H233 | N227-D229 PolarHBondContact O-N 3.1Å; N227-D229 VanDerWaalsContact O-N 3.11Å; D229-K232 PolarHBondContact O-N 3.38Å; D229-H233 WeakPolarHBondContact O-CB 3.42Å; D229-H233 PolarHBondContact O-N 3.03Å; D229-H233 PolarHBondContact O-ND1 3.2Å; D229-H233 VanDerWaalsContact O-ND1 3.15Å |
| 230 | V | 67.3 | Low | 70.8 | Confident | 69 Ų | 69 | 95.1 Ų | 95.1 | 42% | 0.418 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.6 | -48.8 | 178.8 | 175.4 | 0 | 0 | 0 | 0 | 109.6 | N227 P228 K232 H233 W234 | N227-V230 HydrophobicContact CB-CB 4.39Å; N227-V230 HydrophobicContact CB-CG2 3.78Å; N227-V230 WeakPolarHBondContact O-CB 3.22Å; N227-V230 PolarHBondContact O-N 2.71Å; P228-V230 VanDerWaalsContact C-N 3.27Å; P228-V230 PolarHBondContact O-N 3.37Å; V230-K232 VanDerWaalsContact C-N 3.35Å; V230-K232 PolarHBondContact O-N 3.47Å; V230-H233 PolarHBondContact O-N 3.04Å; V230-W234 PolarHBondContact O-N 2.98Å |
| 231 | E | 68.6 | Low | 70.6 | Confident | 126 Ų | 126 | 92.4 Ų | 92.4 | 59% | 0.589 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -60.6 | -43.8 | 177.2 | -172.8 | 178.9 | 173.6 | 0 | 0 | 111.8 | P228 H233 W234 N235 | P228-E231 PolarHBondContact O-N 3.24Å; E231-H233 PolarHBondContact O-N 2.77Å; E231-W234 PolarHBondContact O-N 3.15Å; E231-N235 WeakPolarHBondContact O-CB 3.34Å; E231-N235 VanDerWaalsContact O-CG 3.24Å; E231-N235 PolarHBondContact O-N 3.4Å; E231-N235 PolarHBondContact O-ND2 3.4Å |
| 232 | K | 72 | Confident | 70.6 | Confident | 149 Ų | 149 | 88.5 Ų | 88.5 | 65% | 0.648 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -61.5 | -42.9 | 176.3 | -173.7 | 179 | 179.9 | -179.9 | 0 | 112.4 | P228 D229 V230 K236 | P228-K232 PolarHBondContact O-N 2.81Å; P228-K232 VanDerWaalsContact O-N 3.1Å; D229-K232 PolarHBondContact O-N 3.38Å; V230-K232 VanDerWaalsContact C-N 3.35Å; V230-K232 PolarHBondContact O-N 3.47Å; K232-K236 PolarHBondContact O-N 3.02Å; K232-K236 VanDerWaalsContact O-N 3.14Å |
| 233 | H | 69.9 | Low | 70.8 | Confident | 108 Ų | 108 | 84.7 Ų | 84.7 | 50% | 0.5 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -69.6 | -39.4 | 178.3 | -68.3 | 154 | 0 | 0 | 0 | 112.3 | D229 V230 E231 K236 L237 | D229-H233 WeakPolarHBondContact O-CB 3.42Å; D229-H233 PolarHBondContact O-N 3.03Å; D229-H233 PolarHBondContact O-ND1 3.2Å; D229-H233 VanDerWaalsContact O-ND1 3.15Å; V230-H233 PolarHBondContact O-N 3.04Å; E231-H233 PolarHBondContact O-N 2.77Å; H233-K236 PolarHBondContact O-N 2.8Å; H233-L237 WeakPolarHBondContact O-CB 3.5Å; H233-L237 PolarHBondContact O-N 3.25Å |
| 234 | W | 72.4 | Confident | 71.3 | Confident | 100 Ų | 100 | 81 Ų | 81 | 38% | 0.379 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.6 | -45.7 | 174.5 | -82.4 | 109.6 | 0 | 0 | 0 | 112.2 | V230 E231 K236 L237 L238 I284 | V230-W234 PolarHBondContact O-N 2.98Å; E231-W234 PolarHBondContact O-N 3.15Å; W234-K236 PolarHBondContact O-N 3.09Å; W234-L237 HydrophobicContact CE3-CD2 3.66Å; W234-L237 HydrophobicContact CH2-CD2 4.35Å; W234-L237 HydrophobicContact CZ3-CD2 3.56Å; W234-L237 PolarHBondContact O-N 3.3Å; W234-L238 WeakPolarHBondContact O-CB 3.3Å; W234-L238 WeakPolarHBondContact O-CG 3.44Å; W234-L238 PolarHBondContact O-N 3.31Å; W234-I284 HydrophobicContact CH2-CD1 3.56Å; W234-I284 HydrophobicContact CH2-CG1 4.27Å; W234-I284 HydrophobicContact CZ3-CD1 4.12Å |
| 235 | N | 76 | Confident | 72.1 | Confident | 75 Ų | 75 | 85.4 Ų | 85.4 | 40% | 0.401 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -58.8 | -40.5 | 176.8 | -73.4 | -24.2 | 0 | 0 | 0 | 111.3 | E231 L239 | E231-N235 WeakPolarHBondContact O-CB 3.34Å; E231-N235 VanDerWaalsContact O-CG 3.24Å; E231-N235 PolarHBondContact O-N 3.4Å; E231-N235 PolarHBondContact O-ND2 3.4Å; N235-L239 WeakPolarHBondContact O-CB 3.48Å; N235-L239 WeakPolarHBondContact O-CD1 3.35Å; N235-L239 VanDerWaalsContact O-CG 3.24Å; N235-L239 WeakPolarHBondContact O-CG 3.45Å; N235-L239 PolarHBondContact O-N 2.94Å |
| 236 | K | 78.2 | Confident | 73.2 | Confident | 82 Ų | 82 | 81.7 Ų | 81.7 | 36% | 0.357 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65.8 | -47.9 | 174.6 | -175.3 | 174.4 | 178.2 | 179.1 | 0 | 112.4 | K232 H233 W234 L238 L239 E240 H312 | K232-K236 PolarHBondContact O-N 3.02Å; K232-K236 VanDerWaalsContact O-N 3.14Å; H233-K236 PolarHBondContact O-N 2.8Å; W234-K236 PolarHBondContact O-N 3.09Å; K236-L238 VanDerWaalsContact C-N 3.31Å; K236-L238 PolarHBondContact O-N 2.83Å; K236-L239 PolarHBondContact O-N 3.3Å; K236-E240 VanDerWaalsContact O-CG 3.25Å; K236-E240 WeakPolarHBondContact O-CG 3.45Å; K236-E240 PolarHBondContact O-N 2.79Å; K236-H312 WeakPolarHBondContact CE-O 3.44Å |
| 237 | L | 77.6 | Confident | 74.1 | Confident | 20 Ų | 20 | 78.7 Ų | 78.7 | 11% | 0.105 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -57.3 | -45.4 | 177.3 | 167.7 | 66 | 0 | 0 | 0 | 111.3 | H233 W234 E240 L241 M308 I313 F356 | H233-L237 WeakPolarHBondContact O-CB 3.5Å; H233-L237 PolarHBondContact O-N 3.25Å; W234-L237 HydrophobicContact CE3-CD2 3.66Å; W234-L237 HydrophobicContact CH2-CD2 4.35Å; W234-L237 HydrophobicContact CZ3-CD2 3.56Å; W234-L237 PolarHBondContact O-N 3.3Å; L237-E240 PolarHBondContact O-N 2.96Å; L237-L241 HydrophobicContact CD1-CD1 3.9Å; L237-L241 HydrophobicContact CD1-CG 4.11Å; L237-L241 HydrophobicContact CG-CD1 3.84Å; L237-L241 HydrophobicContact CG-CG 4.45Å; L237-L241 WeakPolarHBondContact O-CB 3.28Å; L237-L241 VanDerWaalsContact O-CG 3.28Å; L237-L241 WeakPolarHBondContact O-CG 3.46Å; L237-L241 PolarHBondContact O-N 3.49Å; L237-M308 HydrophobicContact CD1-CE 4.16Å; L237-I313 HydrophobicContact CD1-CG2 3.42Å; L237-I313 VanDerWaalsContact CD1-CG2 3.42Å; L237-F356 HydrophobicContact CD1-CE1 4.3Å |
| 238 | L | 77 | Confident | 75.1 | Confident | 20 Ų | 20 | 78.4 Ų | 78.4 | 11% | 0.105 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -68.4 | -37 | -178.1 | -68.1 | 167.1 | 0 | 0 | 0 | 112.3 | W234 K236 L241 S242 L286 Y389 | W234-L238 WeakPolarHBondContact O-CB 3.3Å; W234-L238 WeakPolarHBondContact O-CG 3.44Å; W234-L238 PolarHBondContact O-N 3.31Å; K236-L238 VanDerWaalsContact C-N 3.31Å; K236-L238 PolarHBondContact O-N 2.83Å; L238-L241 HydrophobicContact CD2-CD1 4.21Å; L238-L241 PolarHBondContact O-N 3.28Å; L238-S242 PolarHBondContact O-N 3.45Å; L238-L286 HydrophobicContact CD2-CD2 4.45Å; L238-Y389 HydrophobicContact CB-CD1 4.27Å; L238-Y389 HydrophobicContact CB-CE1 3.96Å; L238-Y389 HydrophobicContact CD1-CE1 4.05Å; L238-Y389 HydrophobicContact CD1-CE2 4.16Å; L238-Y389 HydrophobicContact CG-CE1 4.47Å |
| 239 | L | 77.5 | Confident | 75.8 | Confident | 124 Ų | 124 | 77 Ų | 77 | 65% | 0.649 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -61.6 | -44.3 | 171.8 | -76.8 | 166.8 | 0 | 0 | 0 | 111.6 | N235 K236 S242 G243 | N235-L239 WeakPolarHBondContact O-CB 3.48Å; N235-L239 WeakPolarHBondContact O-CD1 3.35Å; N235-L239 VanDerWaalsContact O-CG 3.24Å; N235-L239 WeakPolarHBondContact O-CG 3.45Å; N235-L239 PolarHBondContact O-N 2.94Å; K236-L239 PolarHBondContact O-N 3.3Å; L239-S242 PolarHBondContact O-N 3.05Å; L239-S242 PolarHBondContact O-OG 3.41Å; L239-G243 PolarHBondContact O-N 3.44Å |
| 240 | E | 81.5 | Confident | 75.9 | Confident | 69 Ų | 69 | 77.7 Ų | 77.7 | 32% | 0.322 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -69.5 | -37.3 | 179.4 | -65.2 | -87.4 | -179.6 | 0 | 0 | 111.4 | K236 L237 S242 G243 L244 H312 | K236-E240 VanDerWaalsContact O-CG 3.25Å; K236-E240 WeakPolarHBondContact O-CG 3.45Å; K236-E240 PolarHBondContact O-N 2.79Å; L237-E240 PolarHBondContact O-N 2.96Å; E240-S242 VanDerWaalsContact C-N 3.29Å; E240-S242 PolarHBondContact O-N 3.02Å; E240-G243 PolarHBondContact O-N 2.99Å; E240-L244 WeakPolarHBondContact O-CD1 3.34Å; E240-L244 PolarHBondContact O-N 3.14Å; E240-H312 HydrophobicContact CB-CB 4.24Å; E240-H312 HydrophobicContact CG-CB 4.27Å; E240-H312 WeakPolarHBondContact CG-O 3.35Å; E240-H312 IonicContact OE2-CD2 2.7Å; E240-H312 PolarHBondContact OE2-CD2 2.93Å; E240-H312 IonicContact OE2-CG 2.75Å |
| 241 | L | 79.4 | Confident | 75.4 | Confident | 19 Ų | 19 | 75.8 Ų | 75.8 | 10% | 0.099 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -58.6 | -37.8 | 170.8 | -78.1 | 168.5 | 0 | 0 | 0 | 113.1 | L237 L238 G243 L244 I326 F356 | L237-L241 HydrophobicContact CD1-CD1 3.9Å; L237-L241 HydrophobicContact CD1-CG 4.11Å; L237-L241 HydrophobicContact CG-CD1 3.84Å; L237-L241 HydrophobicContact CG-CG 4.45Å; L237-L241 WeakPolarHBondContact O-CB 3.28Å; L237-L241 VanDerWaalsContact O-CG 3.28Å; L237-L241 WeakPolarHBondContact O-CG 3.46Å; L237-L241 PolarHBondContact O-N 3.49Å; L238-L241 HydrophobicContact CD2-CD1 4.21Å; L238-L241 PolarHBondContact O-N 3.28Å; L241-G243 VanDerWaalsContact C-N 3.26Å; L241-G243 PolarHBondContact O-N 3.31Å; L241-L244 HydrophobicContact CD2-CD1 4.05Å; L241-L244 PolarHBondContact O-N 3.44Å; L241-I326 HydrophobicContact CD2-CD1 3.3Å; L241-I326 HydrophobicContact CD2-CG1 4.14Å; L241-I326 HydrophobicContact CD2-CG2 4.31Å; L241-F356 HydrophobicContact CD1-CE1 4.07Å; L241-F356 HydrophobicContact CD1-CZ 3.8Å; L241-F356 HydrophobicContact CD2-CE1 4.03Å; L241-F356 HydrophobicContact CD2-CZ 4.27Å |
| 242 | S | 77 | Confident | 74.9 | Confident | 53 Ų | 53 | 75.2 Ų | 75.2 | 37% | 0.371 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -70.5 | -21.6 | 178.7 | 72.2 | 0 | 0 | 0 | 0 | 113.9 | L238 L239 E240 | L238-S242 PolarHBondContact O-N 3.45Å; L239-S242 PolarHBondContact O-N 3.05Å; L239-S242 PolarHBondContact O-OG 3.41Å; E240-S242 VanDerWaalsContact C-N 3.29Å; E240-S242 PolarHBondContact O-N 3.02Å |
| 243 | G | 77.5 | Confident | 74 | Confident | 65 Ų | 65 | 71.7 Ų | 71.7 | 67% | 0.67 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | 3.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L239 E240 L241 | L239-G243 PolarHBondContact O-N 3.44Å; E240-G243 PolarHBondContact O-N 2.99Å; L241-G243 VanDerWaalsContact C-N 3.26Å; L241-G243 PolarHBondContact O-N 3.31Å |
| 244 | L | 80.2 | Confident | 73.1 | Confident | 31 Ų | 31 | 66.6 Ų | 66.6 | 16% | 0.162 | 37% | 0.371 | C | S | . | . | trans | -82.3 | 131.9 | 179.3 | -88.8 | 149.8 | 0 | 0 | 0 | 110.8 | E240 L241 F246 A306 K307 M308 I326 | E240-L244 WeakPolarHBondContact O-CD1 3.34Å; E240-L244 PolarHBondContact O-N 3.14Å; L241-L244 HydrophobicContact CD2-CD1 4.05Å; L241-L244 PolarHBondContact O-N 3.44Å; L244-F246 HydrophobicContact CB-CE2 4.26Å; L244-F246 HydrophobicContact CB-CZ 4.34Å; L244-F246 VanDerWaalsContact O-CD2 3.28Å; L244-F246 WeakPolarHBondContact O-CD2 3.48Å; L244-F246 VanDerWaalsContact O-CE2 3.3Å; L244-F246 WeakPolarHBondContact O-CE2 3.4Å; L244-A306 HydrophobicContact CB-CB 4.35Å; L244-A306 HydrophobicContact CD2-CB 4.18Å; L244-K307 WeakPolarHBondContact CD2-O 3.32Å; L244-M308 HydrophobicContact CD1-CB 4.03Å; L244-M308 HydrophobicContact CD2-CB 4.08Å; L244-I326 HydrophobicContact CD1-CD1 3.69Å | ||
| 245 | E | 80.3 | Confident | 72.2 | Confident | 157 Ų | 157 | 69.6 Ų | 69.6 | 73% | 0.734 | 38% | 0.382 | S | S | * | . | trans | -78.9 | 133 | 168.7 | -68 | 173.6 | -172.3 | 0 | 0 | 109.6 | A306 | E245-A306 WeakPolarHBondContact O-CB 3.49Š| ||
| 246 | F | 81.9 | Confident | 71 | Confident | 25 Ų | 25 | 71.2 Ų | 71.2 | 11% | 0.11 | 39% | 0.39 | C | S | . | . | trans | -106.2 | 127.8 | -178.6 | -70 | -87.4 | 0 | 0 | 0 | 110.8 | L244 L304 A306 I326 F328 V391 | L244-F246 HydrophobicContact CB-CE2 4.26Å; L244-F246 HydrophobicContact CB-CZ 4.34Å; L244-F246 VanDerWaalsContact O-CD2 3.28Å; L244-F246 WeakPolarHBondContact O-CD2 3.48Å; L244-F246 VanDerWaalsContact O-CE2 3.3Å; L244-F246 WeakPolarHBondContact O-CE2 3.4Å; F246-L304 HydrophobicContact CB-CB 4.09Å; F246-L304 HydrophobicContact CB-CD2 3.85Å; F246-L304 HydrophobicContact CB-CG 4.42Å; F246-L304 HydrophobicContact CD1-CB 4.06Å; F246-L304 HydrophobicContact CG-CB 4.31Å; F246-L304 HydrophobicContact CG-CD2 4.26Å; F246-A306 HydrophobicContact CD1-CB 3.45Å; F246-A306 VanDerWaalsContact CD1-CB 3.45Å; F246-A306 HydrophobicContact CE1-CB 3.45Å; F246-A306 VanDerWaalsContact CE1-CB 3.45Å; F246-A306 HydrophobicContact CG-CB 4.13Å; F246-A306 HydrophobicContact CZ-CB 4.17Å; F246-I326 HydrophobicContact CE1-CG2 4.26Å; F246-F328 AromaticContact CD1-CE1 3.75Å; F246-F328 HydrophobicContact CD1-CE1 3.75Å; F246-F328 HydrophobicContact CD1-CZ 4.49Å; F246-F328 HydrophobicContact CE1-CD1 4.13Å; F246-F328 AromaticContact CE1-CE1 3.46Å; F246-F328 HydrophobicContact CE1-CE1 3.46Å; F246-F328 VanDerWaalsContact CE1-CE1 3.46Å; F246-F328 HydrophobicContact CE1-CZ 4.46Å; F246-F328 HydrophobicContact CE2-CE1 4.39Å; F246-F328 HydrophobicContact CG-CE1 4.37Å; F246-F328 AromaticContact CZ-CE1 3.81Å; F246-F328 HydrophobicContact CZ-CE1 3.81Å; F246-V391 HydrophobicContact CD2-CG1 3.66Å; F246-V391 HydrophobicContact CE2-CG1 3.62Å; F246-V391 HydrophobicContact CE2-CG2 4.48Å | ||
| 247 | C | 78.4 | Confident | 69.5 | Low | 90 Ų | 90 | 70.8 Ų | 70.8 | 61% | 0.608 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 128.6 | 167.7 | -58.5 | 0 | 0 | 0 | 0 | 109.6 | L304 I305 | C247-L304 WeakPolarHBondContact O-CA 3.3Å; C247-I305 WeakPolarHBondContact CB-O 3.45Å; C247-I305 PolarHBondContact N-O 2.98Å; C247-I305 PolarHBondContact O-N 2.94Å |
| 248 | I | 79.7 | Confident | 68.3 | Low | 83 Ų | 83 | 71.9 Ų | 71.9 | 43% | 0.426 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 116.8 | 178.6 | -59.7 | 172.6 | 0 | 0 | 0 | 108.9 | Y302 | I248-Y302 HydrophobicContact CG2-CD1 3.34Å; I248-Y302 HydrophobicContact CG2-CE1 3.99Å; I248-Y302 HydrophobicContact CG2-CG 4.13Å |
| 249 | I | 75.2 | Confident | 67.2 | Low | 64 Ų | 64 | 77 Ų | 77 | 33% | 0.328 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 107.7 | 167 | -57.2 | -173.1 | 0 | 0 | 0 | 108.5 | L270 L303 I305 | I249-L270 HydrophobicContact CD1-CD1 4.34Å; I249-L303 HydrophobicContact CB-CB 4.43Å; I249-L303 PolarHBondContact N-O 3.39Å; I249-L303 PolarHBondContact O-N 3.49Å; I249-I305 HydrophobicContact CD1-CD1 3.41Å; I249-I305 VanDerWaalsContact CD1-CD1 3.41Å; I249-I305 HydrophobicContact CG1-CD1 4.19Å |
| 250 | N | 67.1 | Low | 65.8 | Low | 102 Ų | 102 | 73.7 Ų | 73.7 | 55% | 0.545 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 115.6 | 168.6 | -176.8 | 7 | 0 | 0 | 0 | 109.1 | M300 | N250-M300 WeakPolarHBondContact ND2-CE 3.47Å |
| 251 | S | 56.7 | Low | 64.3 | Low | 30 Ų | 30 | 80.9 Ų | 80.9 | 21% | 0.21 | 44% | 0.439 | C | S | . | . | trans | -152.1 | 133.3 | 176.6 | 175.8 | 0 | 0 | 0 | 0 | 110.4 | N253 A254 | S251-N253 PolarHBondContact O-N 2.8Å; S251-N253 WeakPolarHBondContact OG-CA 3.45Å; S251-N253 WeakPolarHBondContact OG-CB 3.45Å; S251-N253 PolarHBondContact OG-N 3.01Å; S251-A254 WeakPolarHBondContact O-CB 3.18Å; S251-A254 PolarHBondContact O-N 3.22Å | ||
| 252 | S | 57.1 | Low | 62.7 | Low | 113 Ų | 113 | 81.7 Ų | 81.7 | 79% | 0.79 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -21.4 | 165.1 | 53.2 | 0 | 0 | 0 | 0 | 112.5 | ||
| 253 | N | 52.7 | Low | 61.5 | Low | 75 Ų | 75 | 81.1 Ų | 81.1 | 40% | 0.401 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 7 | 179.6 | -60.3 | -15.4 | 0 | 0 | 0 | 113.2 | S251 R255 L256 M257 | S251-N253 PolarHBondContact O-N 2.8Å; S251-N253 WeakPolarHBondContact OG-CA 3.45Å; S251-N253 WeakPolarHBondContact OG-CB 3.45Å; S251-N253 PolarHBondContact OG-N 3.01Å; N253-R255 PolarHBondContact O-N 2.93Å; N253-L256 HydrophobicContact CB-CB 4.34Å; N253-L256 HydrophobicContact CB-CD1 4.4Å; N253-L256 CarbonylContact O-C 3.56Å; N253-L256 PolarHBondContact O-N 2.75Å; N253-M257 WeakPolarHBondContact O-CG 3.45Å; N253-M257 PolarHBondContact O-N 2.87Å |
| 254 | A | 52.6 | Low | 60.1 | Low | 2 Ų | 2 | 80.2 Ų | 80.2 | 2% | 0.017 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -55.1 | -38.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S251 M257 A258 L303 L329 | S251-A254 WeakPolarHBondContact O-CB 3.18Å; S251-A254 PolarHBondContact O-N 3.22Å; A254-M257 PolarHBondContact O-N 2.87Å; A254-A258 PolarHBondContact O-N 3.08Å; A254-A258 VanDerWaalsContact O-N 3.14Å; A254-L303 HydrophobicContact CB-CB 4.35Å; A254-L329 HydrophobicContact CB-CD1 4.36Å |
| 255 | R | 52.2 | Low | 58.6 | Low | 163 Ų | 163 | 85 Ų | 85 | 62% | 0.615 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -65.8 | -45.2 | 173.3 | -170.8 | 173.5 | -178.5 | 155.2 | 1.4 | 112.8 | N253 M257 A258 E259 | N253-R255 PolarHBondContact O-N 2.93Å; R255-M257 VanDerWaalsContact C-N 3.31Å; R255-M257 PolarHBondContact O-N 3.13Å; R255-A258 PolarHBondContact O-N 3.08Å; R255-E259 WeakPolarHBondContact CG-OE1 3.33Å; R255-E259 IonicContact CZ-OE1 2.75Å; R255-E259 IonicContact NE-OE1 3.65Å; R255-E259 PolarHBondContact NE-OE1 2.89Å; R255-E259 IonicContact NH2-OE1 3.38Å; R255-E259 WeakPolarHBondContact O-CG 3.49Å; R255-E259 PolarHBondContact O-N 3.15Å |
| 256 | L | 51.4 | Low | 57.2 | Low | 109 Ų | 109 | 79.7 Ų | 79.7 | 57% | 0.571 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -64.9 | -34 | 177.4 | -67.8 | 173.4 | 0 | 0 | 0 | 112.2 | N253 S260 | N253-L256 HydrophobicContact CB-CB 4.34Å; N253-L256 HydrophobicContact CB-CD1 4.4Å; N253-L256 CarbonylContact O-C 3.56Å; N253-L256 PolarHBondContact O-N 2.75Å; L256-S260 WeakPolarHBondContact O-CB 3.46Å; L256-S260 PolarHBondContact O-N 2.8Å |
| 257 | M | 47.3 | Very low | 55.8 | Low | 72 Ų | 72 | 79.2 Ų | 79.2 | 36% | 0.355 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -71.7 | -34.2 | 177.1 | -69.8 | -141.7 | 175.3 | 0 | 0 | 112.6 | N253 A254 R255 S260 S263 V266 | N253-M257 WeakPolarHBondContact O-CG 3.45Å; N253-M257 PolarHBondContact O-N 2.87Å; A254-M257 PolarHBondContact O-N 2.87Å; R255-M257 VanDerWaalsContact C-N 3.31Å; R255-M257 PolarHBondContact O-N 3.13Å; M257-S260 VanDerWaalsContact O-O 3.13Å; M257-S263 WeakPolarHBondContact O-CB 3.36Å; M257-S263 PolarHBondContact O-N 2.82Å; M257-S263 PolarHBondContact O-OG 3.48Å; M257-V266 HydrophobicContact CE-CG2 4.49Å; M257-V266 HydrophobicContact SD-CB 4.45Å; M257-V266 HydrophobicContact SD-CG1 4Å; M257-V266 HydrophobicContact SD-CG2 4.02Å |
| 258 | A | 51.4 | Low | 54.4 | Low | 43 Ų | 43 | 79.8 Ų | 79.8 | 36% | 0.355 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -79.9 | -39.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A254 R255 S260 L329 | A254-A258 PolarHBondContact O-N 3.08Å; A254-A258 VanDerWaalsContact O-N 3.14Å; R255-A258 PolarHBondContact O-N 3.08Å; A258-S260 VanDerWaalsContact C-N 3.26Å; A258-S260 PolarHBondContact O-N 2.88Å; A258-L329 HydrophobicContact CB-CD1 4.38Å |
| 259 | E | 53.3 | Low | 52.9 | Low | 127 Ų | 127 | 85.8 Ų | 85.8 | 59% | 0.593 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -70.5 | -23.9 | 177.2 | -72.5 | 175.2 | -173.5 | 0 | 0 | 112.1 | R255 | R255-E259 WeakPolarHBondContact CG-OE1 3.33Å; R255-E259 IonicContact CZ-OE1 2.75Å; R255-E259 IonicContact NE-OE1 3.65Å; R255-E259 PolarHBondContact NE-OE1 2.89Å; R255-E259 IonicContact NH2-OE1 3.38Å; R255-E259 WeakPolarHBondContact O-CG 3.49Å; R255-E259 PolarHBondContact O-N 3.15Å |
| 260 | S | 49 | Very low | 51.8 | Low | 56 Ų | 56 | 86.9 Ų | 86.9 | 39% | 0.392 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -83.8 | 130.4 | 171.7 | -165.8 | 0 | 0 | 0 | 0 | 110.4 | L256 M257 A258 A262 S263 | L256-S260 WeakPolarHBondContact O-CB 3.46Å; L256-S260 PolarHBondContact O-N 2.8Å; M257-S260 VanDerWaalsContact O-O 3.13Å; A258-S260 VanDerWaalsContact C-N 3.26Å; A258-S260 PolarHBondContact O-N 2.88Å; S260-A262 PolarHBondContact O-N 2.85Å; S260-A262 WeakPolarHBondContact OG-CB 3.36Å; S260-A262 PolarHBondContact OG-N 2.79Å; S260-S263 PolarHBondContact O-N 2.94Å; S260-S263 PolarHBondContact O-OG 2.84Å; S260-S263 VanDerWaalsContact O-OG 3.05Å |
| 261 | Y | 50.1 | Low | 51.1 | Low | 219 Ų | 219 | 84.3 Ų | 84.3 | 86% | 0.859 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.1 | -11.8 | 160.7 | -71.9 | -90.5 | 0 | 0 | 0 | 112.8 | S263 | Y261-S263 VanDerWaalsContact C-N 3.29Å; Y261-S263 PolarHBondContact O-N 3.08Å |
| 262 | A | 46.6 | Very low | 50.6 | Low | 37 Ų | 37 | 90.1 Ų | 90.1 | 31% | 0.306 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -12.4 | 171 | 0 | 0 | 0 | 0 | 0 | 115.8 | S260 A264 H265 V266 | S260-A262 PolarHBondContact O-N 2.85Å; S260-A262 WeakPolarHBondContact OG-CB 3.36Å; S260-A262 PolarHBondContact OG-N 2.79Å; A262-A264 PolarHBondContact O-N 3.37Å; A262-H265 CarbonylContact O-C 3.55Å; A262-H265 WeakPolarHBondContact O-CA 3.35Å; A262-H265 WeakPolarHBondContact O-CB 3.43Å; A262-H265 PolarHBondContact O-N 3.34Å; A262-V266 WeakPolarHBondContact O-CG2 3.39Å; A262-V266 PolarHBondContact O-N 3.21Å |
| 263 | S | 50.1 | Low | 50.1 | Low | 40 Ų | 40 | 93.7 Ų | 93.7 | 28% | 0.28 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -55.9 | -37.7 | 171 | 33 | 0 | 0 | 0 | 0 | 111.9 | M257 S260 Y261 H265 V266 L267 | M257-S263 WeakPolarHBondContact O-CB 3.36Å; M257-S263 PolarHBondContact O-N 2.82Å; M257-S263 PolarHBondContact O-OG 3.48Å; S260-S263 PolarHBondContact O-N 2.94Å; S260-S263 PolarHBondContact O-OG 2.84Å; S260-S263 VanDerWaalsContact O-OG 3.05Å; Y261-S263 VanDerWaalsContact C-N 3.29Å; Y261-S263 PolarHBondContact O-N 3.08Å; S263-H265 VanDerWaalsContact C-N 3.32Å; S263-H265 PolarHBondContact O-N 2.98Å; S263-V266 PolarHBondContact O-N 2.97Å; S263-L267 WeakPolarHBondContact O-CG 3.39Å; S263-L267 PolarHBondContact O-N 3.46Å |
| 264 | A | 49.8 | Very low | 49.8 | Very low | 47 Ų | 47 | 98.9 Ų | 98.9 | 39% | 0.388 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.8 | -39.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A262 R268 | A262-A264 PolarHBondContact O-N 3.37Å; A264-R268 WeakPolarHBondContact O-CB 3.44Å; A264-R268 PolarHBondContact O-N 3.3Å |
| 265 | H | 48.1 | Very low | 49.8 | Very low | 132 Ų | 132 | 102.2 Ų | 102.2 | 61% | 0.611 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -71.8 | -33.9 | 175.9 | -85.4 | -78.1 | 0 | 0 | 0 | 113.5 | A262 S263 R268 R269 | A262-H265 CarbonylContact O-C 3.55Å; A262-H265 WeakPolarHBondContact O-CA 3.35Å; A262-H265 WeakPolarHBondContact O-CB 3.43Å; A262-H265 PolarHBondContact O-N 3.34Å; S263-H265 VanDerWaalsContact C-N 3.32Å; S263-H265 PolarHBondContact O-N 2.98Å; H265-R268 WeakPolarHBondContact O-CB 3.49Å; H265-R268 PolarHBondContact O-N 3.25Å; H265-R269 PolarHBondContact O-N 3.48Å; H265-R269 VanDerWaalsContact O-N 3.15Å |
| 266 | V | 51.5 | Low | 49.8 | Very low | 44 Ų | 44 | 102.1 Ų | 102.1 | 27% | 0.267 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -71.8 | -42.9 | 176.9 | 174.9 | 0 | 0 | 0 | 0 | 110.4 | M257 A262 S263 R268 R269 L270 | M257-V266 HydrophobicContact CE-CG2 4.49Å; M257-V266 HydrophobicContact SD-CB 4.45Å; M257-V266 HydrophobicContact SD-CG1 4Å; M257-V266 HydrophobicContact SD-CG2 4.02Å; A262-V266 WeakPolarHBondContact O-CG2 3.39Å; A262-V266 PolarHBondContact O-N 3.21Å; S263-V266 PolarHBondContact O-N 2.97Å; V266-R268 VanDerWaalsContact C-N 3.27Å; V266-R268 PolarHBondContact O-N 2.98Å; V266-R269 WeakPolarHBondContact O-CA 3.34Å; V266-R269 WeakPolarHBondContact O-CB 3.07Å; V266-R269 PolarHBondContact O-N 2.86Å; V266-L270 PolarHBondContact O-N 3.5Å; V266-L270 VanDerWaalsContact O-N 3.08Å |
| 267 | L | 51.6 | Low | 50.3 | Low | 15 Ų | 15 | 100.9 Ų | 100.9 | 8% | 0.079 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -59.4 | -39.6 | 170.3 | -72.3 | 174.4 | 0 | 0 | 0 | 111.4 | S263 R269 L270 D271 I305 T357 | S263-L267 WeakPolarHBondContact O-CG 3.39Å; S263-L267 PolarHBondContact O-N 3.46Å; L267-R269 PolarHBondContact O-N 3.14Å; L267-L270 HydrophobicContact CD2-CD1 4.41Å; L267-L270 PolarHBondContact O-N 2.82Å; L267-L270 VanDerWaalsContact O-N 3.08Å; L267-D271 PolarHBondContact O-N 3.33Å; L267-D271 VanDerWaalsContact O-N 3.13Å; L267-I305 HydrophobicContact CD2-CD1 3.87Å; L267-I305 HydrophobicContact CD2-CG1 4.41Å; L267-I305 HydrophobicContact CD2-CG2 4Å; L267-T357 HydrophobicContact CD1-CG2 4.2Å |
| 268 | R | 48.9 | Very low | 51.5 | Low | 102 Ų | 102 | 103.7 Ų | 103.7 | 39% | 0.385 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62 | -21.7 | 173.7 | -160.1 | -178.5 | 178.6 | 94.7 | -1.1 | 113.4 | A264 H265 V266 D276 N277 | A264-R268 WeakPolarHBondContact O-CB 3.44Å; A264-R268 PolarHBondContact O-N 3.3Å; H265-R268 WeakPolarHBondContact O-CB 3.49Å; H265-R268 PolarHBondContact O-N 3.25Å; V266-R268 VanDerWaalsContact C-N 3.27Å; V266-R268 PolarHBondContact O-N 2.98Å; R268-D276 IonicContact NH2-OD1 3.75Å; R268-N277 PolarHBondContact NH1-O 2.83Å |
| 269 | R | 49.3 | Very low | 52.4 | Low | 209 Ų | 209 | 105.6 Ų | 105.6 | 79% | 0.789 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -92 | -18.8 | 176.1 | -164.2 | 176.4 | -78.1 | 145.7 | -5.3 | 112.7 | H265 V266 L267 | H265-R269 PolarHBondContact O-N 3.48Å; H265-R269 VanDerWaalsContact O-N 3.15Å; V266-R269 WeakPolarHBondContact O-CA 3.34Å; V266-R269 WeakPolarHBondContact O-CB 3.07Å; V266-R269 PolarHBondContact O-N 2.86Å; L267-R269 PolarHBondContact O-N 3.14Å |
| 270 | L | 51.2 | Low | 53.5 | Low | 88 Ų | 88 | 100.5 Ų | 100.5 | 46% | 0.461 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -86 | -21.1 | 174.2 | -69.5 | 177.2 | 0 | 0 | 0 | 113.3 | I249 V266 L267 I305 | I249-L270 HydrophobicContact CD1-CD1 4.34Å; V266-L270 PolarHBondContact O-N 3.5Å; V266-L270 VanDerWaalsContact O-N 3.08Å; L267-L270 HydrophobicContact CD2-CD1 4.41Å; L267-L270 PolarHBondContact O-N 2.82Å; L267-L270 VanDerWaalsContact O-N 3.08Å; L270-I305 HydrophobicContact CD1-CD1 4.15Å |
| 271 | D | 53.1 | Low | 54.8 | Low | 48 Ų | 48 | 101.2 Ų | 101.2 | 26% | 0.257 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -88.1 | 120.3 | 161.9 | -87.9 | -28.1 | 0 | 0 | 0 | 108.1 | L267 K307 N325 | L267-D271 PolarHBondContact O-N 3.33Å; L267-D271 VanDerWaalsContact O-N 3.13Å; D271-K307 IonicContact OD1-NZ 3.86Å; D271-K307 PolarHBondContact OD1-NZ 3.08Å; D271-N325 PolarHBondContact OD2-ND2 3.27Å |
| 272 | D | 44.7 | Very low | 56.1 | Low | 151 Ų | 151 | 92.9 Ų | 92.9 | 81% | 0.807 | 48% | 0.481 | S | S | * | . | trans | -46.9 | 150.4 | -178.7 | -65.7 | -59.5 | 0 | 0 | 0 | 113.5 | E274 | D272-E274 VanDerWaalsContact C-N 3.33Å; D272-E274 PolarHBondContact O-N 3.2Å | ||
| 273 | M | 46.8 | Very low | 57.7 | Low | 189 Ų | 189 | 94.5 Ų | 94.5 | 93% | 0.931 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -55.6 | 74 | -175.2 | -56.8 | -147.7 | 82.8 | 0 | 0 | 115.1 | ||
| 274 | E | 48 | Very low | 59.1 | Low | 183 Ų | 183 | 94.8 Ų | 94.8 | 86% | 0.855 | 49% | 0.492 | S | S | * | . | trans | -169.4 | 88.8 | 161 | -125.6 | 169.4 | 156.3 | 0 | 0 | 112.2 | D272 | D272-E274 VanDerWaalsContact C-N 3.33Å; D272-E274 PolarHBondContact O-N 3.2Å | ||
| 275 | S | 51.2 | Low | 60.4 | Low | 73 Ų | 73 | 97.7 Ų | 97.7 | 51% | 0.51 | 50% | 0.501 | S | S | . | . | trans | 170.5 | 130.9 | 133.8 | 49 | 0 | 0 | 0 | 0 | 110.4 | N277 | S275-N277 WeakPolarHBondContact CB-ND2 3.24Å; S275-N277 PolarHBondContact O-N 3Å; S275-N277 PolarHBondContact OG-ND2 3.02Å; S275-N277 VanDerWaalsContact OG-ND2 3.1Å | ||
| 276 | D | 53.5 | Low | 62 | Low | 161 Ų | 161 | 92.3 Ų | 92.3 | 86% | 0.861 | 48% | 0.477 | S | S | * | . | trans | -72.5 | 26.8 | 172.4 | -135.3 | 5.7 | 0 | 0 | 0 | 112.2 | R268 M278 | R268-D276 IonicContact NH2-OD1 3.75Å; D276-M278 PolarHBondContact O-N 3.33Å | ||
| 277 | N | 61.1 | Low | 63.4 | Low | 83 Ų | 83 | 92.2 Ų | 92.2 | 44% | 0.444 | 48% | 0.477 | S | S | . | . | trans | -70.4 | 127.6 | -177.3 | -70 | -20.8 | 0 | 0 | 0 | 108.6 | R268 S275 I279 T359 | R268-N277 PolarHBondContact NH1-O 2.83Å; S275-N277 WeakPolarHBondContact CB-ND2 3.24Å; S275-N277 PolarHBondContact O-N 3Å; S275-N277 PolarHBondContact OG-ND2 3.02Å; S275-N277 VanDerWaalsContact OG-ND2 3.1Å; N277-I279 PolarHBondContact O-N 3Å; N277-T359 HydrophobicContact CB-CG2 4.44Å | ||
| 278 | M | 71.8 | Confident | 64.8 | Low | 131 Ų | 131 | 92 Ų | 92 | 65% | 0.645 | 48% | 0.476 | S | S | * | . | trans | -56.2 | 129.2 | 166.8 | -175.9 | 171.9 | 177.4 | 0 | 0 | 107.8 | D276 P360 | D276-M278 PolarHBondContact O-N 3.33Å; M278-P360 HydrophobicContact CB-CG 4.29Å; M278-P360 WeakPolarHBondContact O-CD 3.23Å | ||
| 279 | I | 71.7 | Confident | 66.3 | Low | 82 Ų | 82 | 87.6 Ų | 87.6 | 42% | 0.421 | 46% | 0.46 | S | S | . | . | trans | -115 | 134.5 | 177.1 | -62.3 | 170.7 | 0 | 0 | 0 | 106.7 | N277 A358 | N277-I279 PolarHBondContact O-N 3Å; I279-A358 WeakPolarHBondContact CA-O 3.37Å | ||
| 280 | I | 75.6 | Confident | 67.6 | Low | 20 Ų | 20 | 77.8 Ų | 77.8 | 10% | 0.103 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 136.5 | 176.5 | -61.2 | -175.8 | 0 | 0 | 0 | 108.4 | H282 T357 A358 P360 F363 P365 | I280-H282 WeakPolarHBondContact CG2-NE2 3.09Å; I280-T357 WeakPolarHBondContact O-CA 3.42Å; I280-A358 PolarHBondContact N-O 3.2Å; I280-A358 PolarHBondContact O-N 3.15Å; I280-A358 VanDerWaalsContact O-N 3.09Å; I280-P360 HydrophobicContact CD1-CB 3.7Å; I280-P360 HydrophobicContact CG1-CB 4.36Å; I280-F363 WeakPolarHBondContact CD1-O 3.39Å; I280-P365 HydrophobicContact CD1-CB 3.74Å; I280-P365 HydrophobicContact CD1-CG 4.11Å |
| 281 | S | 75.8 | Confident | 68.9 | Low | 71 Ų | 71 | 78 Ų | 78 | 50% | 0.497 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 127 | 176.1 | 58.2 | 0 | 0 | 0 | 0 | 110.8 | F356 | S281-F356 CarbonylContact C-O 3.57Å; S281-F356 VanDerWaalsContact CA-O 3.28Å; S281-F356 WeakPolarHBondContact CA-O 3.42Å |
| 282 | H | 78.2 | Confident | 69.9 | Low | 45 Ų | 45 | 76 Ų | 76 | 21% | 0.208 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 131.5 | 170.8 | -70.9 | -68.8 | 0 | 0 | 0 | 109.9 | I280 T355 F356 F363 | I280-H282 WeakPolarHBondContact CG2-NE2 3.09Å; H282-T355 CarbonylContact O-C 3.56Å; H282-T355 WeakPolarHBondContact O-CA 3.49Å; H282-F356 PolarHBondContact N-O 2.99Å; H282-F356 PolarHBondContact O-N 3.26Å; H282-F363 AromaticContact CD2-CG 3.87Å |
| 283 | A | 79.1 | Confident | 71.2 | Confident | 70 Ų | 70 | 71.8 Ų | 71.8 | 58% | 0.579 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 128.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | V354 | A283-V354 WeakPolarHBondContact CA-O 3.48Å |
| 284 | I | 79.8 | Confident | 72.3 | Confident | 47 Ų | 47 | 70.8 Ų | 70.8 | 24% | 0.241 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 131.5 | 179.1 | -62.1 | 144.7 | 0 | 0 | 0 | 108.2 | W234 L286 C353 V354 F356 | W234-I284 HydrophobicContact CH2-CD1 3.56Å; W234-I284 HydrophobicContact CH2-CG1 4.27Å; W234-I284 HydrophobicContact CZ3-CD1 4.12Å; I284-L286 HydrophobicContact CG2-CD2 3.94Å; I284-L286 HydrophobicContact CG2-CG 3.96Å; I284-L286 PolarHBondContact O-N 3.38Å; I284-C353 WeakPolarHBondContact O-CA 3.25Å; I284-V354 PolarHBondContact N-O 2.9Å; I284-V354 PolarHBondContact O-N 3.29Å; I284-F356 HydrophobicContact CD1-CD2 3.68Å; I284-F356 HydrophobicContact CD1-CE2 3.53Å; I284-F356 HydrophobicContact CD1-CZ 4.45Å |
| 285 | D | 78.7 | Confident | 73.4 | Confident | 107 Ų | 107 | 70 Ų | 70 | 57% | 0.572 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75 | 115.1 | 173.8 | -169.3 | 6.4 | 0 | 0 | 0 | 109.3 | ||
| 286 | L | 80.7 | Confident | 74.5 | Confident | 20 Ų | 20 | 67.8 Ų | 67.8 | 11% | 0.105 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 130.7 | -179.1 | -69.1 | 177.7 | 0 | 0 | 0 | 110.7 | L238 I284 L288 T352 V354 | L238-L286 HydrophobicContact CD2-CD2 4.45Å; I284-L286 HydrophobicContact CG2-CD2 3.94Å; I284-L286 HydrophobicContact CG2-CG 3.96Å; I284-L286 PolarHBondContact O-N 3.38Å; L286-L288 HydrophobicContact CB-CD2 4.21Å; L286-L288 PolarHBondContact O-N 2.87Å; L286-T352 PolarHBondContact N-O 2.99Å; L286-T352 PolarHBondContact O-N 3.46Å; L286-V354 HydrophobicContact CB-CG2 4.06Å; L286-V354 HydrophobicContact CD1-CB 3.99Å; L286-V354 HydrophobicContact CD1-CG2 3.82Å; L286-V354 HydrophobicContact CG-CG2 4.32Å |
| 287 | P | 80.2 | Confident | 75.5 | Confident | 41 Ų | 41 | 63.8 Ų | 63.8 | 27% | 0.266 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 115.5 | 166.5 | 30.8 | -30.9 | 0 | 0 | 0 | 109.6 | L350 | P287-L350 CarbonylContact C-O 3.6Å; P287-L350 WeakPolarHBondContact CA-O 3.35Å |
| 288 | L | 81.6 | Confident | 76.3 | Confident | 12 Ų | 12 | 63.2 Ų | 63.2 | 6% | 0.063 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 145.6 | 179.8 | -59.3 | -179.2 | 0 | 0 | 0 | 111 | L286 F328 L350 T352 V354 V391 | L286-L288 HydrophobicContact CB-CD2 4.21Å; L286-L288 PolarHBondContact O-N 2.87Å; L288-F328 HydrophobicContact CD1-CD1 4.41Å; L288-F328 HydrophobicContact CD1-CD2 3.83Å; L288-F328 HydrophobicContact CD1-CE1 4.27Å; L288-F328 HydrophobicContact CD1-CE2 3.68Å; L288-F328 HydrophobicContact CD1-CG 4.19Å; L288-F328 HydrophobicContact CD1-CZ 3.92Å; L288-L350 PolarHBondContact N-O 3.08Å; L288-L350 PolarHBondContact O-N 2.82Å; L288-T352 HydrophobicContact CD1-CG2 3.62Å; L288-T352 HydrophobicContact CG-CG2 4.27Å; L288-V354 HydrophobicContact CD1-CG2 4.1Å; L288-V391 HydrophobicContact CD2-CG2 4.37Å |
| 289 | L | 79.6 | Confident | 76.5 | Confident | 9 Ų | 9 | 62 Ų | 62 | 5% | 0.047 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 116.4 | 168.8 | -164.4 | 70.3 | 0 | 0 | 0 | 109.3 | Y291 P347 H349 Y389 Y390 V391 | L289-Y291 HydrophobicContact CD2-CE2 4.3Å; L289-P347 HydrophobicContact CD1-CB 3.69Å; L289-P347 HydrophobicContact CD1-CG 4.35Å; L289-P347 HydrophobicContact CD2-CB 4.05Å; L289-P347 HydrophobicContact CG-CB 3.79Å; L289-H349 WeakPolarHBondContact CD1-CE1 3.38Å; L289-H349 WeakPolarHBondContact CD1-ND1 3.36Å; L289-Y389 PolarHBondContact N-O 2.99Å; L289-Y390 HydrophobicContact CD2-CD1 3.77Å; L289-Y390 HydrophobicContact CD2-CE1 3.63Å; L289-V391 PolarHBondContact O-N 2.81Å |
| 290 | I | 78.3 | Confident | 76.6 | Confident | 3 Ų | 3 | 60.8 Ų | 60.8 | 2% | 0.015 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 128.6 | -178.8 | -59.2 | -168.8 | 0 | 0 | 0 | 109.8 | F328 V330 P347 V348 L350 L393 | I290-F328 HydrophobicContact CD1-CE2 4.16Å; I290-V330 HydrophobicContact CD1-CG1 4.45Å; I290-V330 HydrophobicContact CD1-CG2 3.33Å; I290-P347 CarbonylContact O-C 3.52Å; I290-P347 WeakPolarHBondContact O-CA 3.32Å; I290-V348 PolarHBondContact N-O 2.88Å; I290-V348 PolarHBondContact O-N 3.25Å; I290-L350 HydrophobicContact CD1-CD1 3.4Å; I290-L350 VanDerWaalsContact CD1-CD1 3.4Å; I290-L350 HydrophobicContact CG1-CD1 3.99Å; I290-L393 HydrophobicContact CG2-CD1 3.4Å; I290-L393 VanDerWaalsContact CG2-CD1 3.4Å; I290-L393 HydrophobicContact CG2-CG 3.89Å |
| 291 | Y | 78 | Confident | 76.7 | Confident | 91 Ų | 91 | 61.3 Ų | 61.3 | 36% | 0.357 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 117.2 | 166.6 | -66.3 | -83.4 | 0 | 0 | 0 | 109.1 | L289 P347 Y390 | L289-Y291 HydrophobicContact CD2-CE2 4.3Å; Y291-P347 HydrophobicContact CD1-CB 4.01Å; Y291-P347 HydrophobicContact CE1-CB 3.71Å; Y291-P347 HydrophobicContact CE1-CG 4.23Å; Y291-Y390 AromaticContact CE2-CD1 3.68Å; Y291-Y390 HydrophobicContact CE2-CD1 3.68Å; Y291-Y390 HydrophobicContact CE2-CE1 4.29Å; Y291-Y390 WeakPolarHBondContact OH-CE1 3.25Å |
| 292 | P | 74.1 | Confident | 76.9 | Confident | 7 Ų | 7 | 58.7 Ų | 58.7 | 5% | 0.045 | 30% | 0.304 | C | S | . | . | trans | -67.7 | 135.4 | 175.7 | 27.2 | -32 | 0 | 0 | 0 | 110.2 | F296 F345 | P292-F296 HydrophobicContact CB-CB 3.64Å; P292-F296 HydrophobicContact CB-CD1 3.69Å; P292-F296 HydrophobicContact CB-CD2 4.31Å; P292-F296 HydrophobicContact CB-CE1 4.43Å; P292-F296 HydrophobicContact CB-CG 3.61Å; P292-F345 VanDerWaalsContact O-CD1 3.25Å; P292-F345 WeakPolarHBondContact O-CD1 3.17Å | ||
| 293 | N | 72.5 | Confident | 77.1 | Confident | 63 Ų | 63 | 57.7 Ų | 57.7 | 34% | 0.337 | 30% | 0.3 | S | S | . | . | trans | -83.5 | 174.2 | 167.8 | -162.9 | 3.3 | 0 | 0 | 0 | 110.5 | E295 F296 D394 | N293-E295 PolarHBondContact O-N 2.9Å; N293-F296 VanDerWaalsContact O-CB 3.25Å; N293-F296 WeakPolarHBondContact O-CB 3.42Å; N293-F296 PolarHBondContact O-N 2.93Å; N293-D394 PolarHBondContact ND2-OXT 3.48Å | ||
| 294 | E | 69.4 | Low | 77.3 | Confident | 167 Ų | 167 | 54.5 Ų | 54.5 | 78% | 0.78 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -28.4 | 176.6 | -63.7 | -170.7 | 170.5 | 0 | 0 | 112.9 | F296 F345 | E294-F296 VanDerWaalsContact C-N 3.31Å; E294-F345 HydrophobicContact CG-CE1 4.44Å; E294-F345 HydrophobicContact CG-CZ 4.22Å |
| 295 | E | 69.7 | Low | 77.6 | Confident | 168 Ų | 168 | 53 Ų | 53 | 79% | 0.785 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -5.9 | 177.8 | -59 | -169.8 | 173 | 0 | 0 | 113.9 | N293 V297 | N293-E295 PolarHBondContact O-N 2.9Å; E295-V297 PolarHBondContact O-N 3.42Å; E295-V297 VanDerWaalsContact O-N 3.17Å |
| 296 | F | 74.7 | Confident | 78 | Confident | 25 Ų | 25 | 48 Ų | 48 | 11% | 0.11 | 24% | 0.239 | C | C | . | . | trans | -71.1 | 112.3 | -177.1 | -174.6 | -92.7 | 0 | 0 | 0 | 111.8 | P292 N293 E294 Y298 Y302 L393 | P292-F296 HydrophobicContact CB-CB 3.64Å; P292-F296 HydrophobicContact CB-CD1 3.69Å; P292-F296 HydrophobicContact CB-CD2 4.31Å; P292-F296 HydrophobicContact CB-CE1 4.43Å; P292-F296 HydrophobicContact CB-CG 3.61Å; N293-F296 VanDerWaalsContact O-CB 3.25Å; N293-F296 WeakPolarHBondContact O-CB 3.42Å; N293-F296 PolarHBondContact O-N 2.93Å; E294-F296 VanDerWaalsContact C-N 3.31Å; F296-Y298 HydrophobicContact CD1-CD1 4.36Å; F296-Y298 HydrophobicContact CD1-CD2 4.44Å; F296-Y298 HydrophobicContact CD1-CE1 4.3Å; F296-Y298 HydrophobicContact CD1-CE2 4.37Å; F296-Y298 HydrophobicContact CD1-CG 4.43Å; F296-Y298 AromaticContact CE1-CD1 3.95Å; F296-Y298 HydrophobicContact CE1-CD1 3.95Å; F296-Y298 HydrophobicContact CE1-CE1 4.08Å; F296-Y298 HydrophobicContact CE1-CG 4.3Å; F296-Y302 HydrophobicContact CD2-CD2 4.49Å; F296-Y302 AromaticContact CD2-CE2 3.93Å; F296-Y302 HydrophobicContact CD2-CE2 3.93Å; F296-Y302 AromaticContact CE2-CD2 3.79Å; F296-Y302 HydrophobicContact CE2-CD2 3.79Å; F296-Y302 AromaticContact CE2-CE2 3.46Å; F296-Y302 HydrophobicContact CE2-CE2 3.46Å; F296-Y302 VanDerWaalsContact CE2-CE2 3.46Å; F296-Y302 HydrophobicContact CZ-CD2 4.36Å; F296-Y302 AromaticContact CZ-CE2 3.89Å; F296-Y302 HydrophobicContact CZ-CE2 3.89Å; F296-L393 HydrophobicContact CD2-CD1 4.48Å | ||
| 297 | V | 75 | Confident | 78.2 | Confident | 77 Ų | 77 | 51.9 Ų | 51.9 | 47% | 0.467 | 26% | 0.255 | S | S | . | . | trans | -88.3 | 117.2 | 175.6 | -168.2 | 0 | 0 | 0 | 0 | 110.1 | E295 M300 Y302 | E295-V297 PolarHBondContact O-N 3.42Å; E295-V297 VanDerWaalsContact O-N 3.17Å; V297-M300 HydrophobicContact CB-CE 3.77Å; V297-M300 HydrophobicContact CB-CG 4.3Å; V297-M300 HydrophobicContact CG1-CE 4.03Å; V297-M300 HydrophobicContact CG1-CG 4.01Å; V297-M300 HydrophobicContact CG2-CE 4.06Å; V297-Y302 VanDerWaalsContact CA-OH 3.3Å; V297-Y302 WeakPolarHBondContact CA-OH 3.3Å; V297-Y302 WeakPolarHBondContact CB-OH 3.48Å; V297-Y302 PolarHBondContact N-OH 2.85Å; V297-Y302 PolarHBondContact O-OH 2.78Å | ||
| 298 | Y | 78.2 | Confident | 78.5 | Confident | 71 Ų | 71 | 50 Ų | 50 | 28% | 0.278 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | 161 | 171.8 | -66.8 | -86.7 | 0 | 0 | 0 | 111.9 | F296 M300 N335 | F296-Y298 HydrophobicContact CD1-CD1 4.36Å; F296-Y298 HydrophobicContact CD1-CD2 4.44Å; F296-Y298 HydrophobicContact CD1-CE1 4.3Å; F296-Y298 HydrophobicContact CD1-CE2 4.37Å; F296-Y298 HydrophobicContact CD1-CG 4.43Å; F296-Y298 AromaticContact CE1-CD1 3.95Å; F296-Y298 HydrophobicContact CE1-CD1 3.95Å; F296-Y298 HydrophobicContact CE1-CE1 4.08Å; F296-Y298 HydrophobicContact CE1-CG 4.3Å; Y298-M300 PolarHBondContact O-N 3.11Å; Y298-N335 HydrophobicContact CD1-CB 3.89Å; Y298-N335 HydrophobicContact CD2-CB 4.23Å; Y298-N335 HydrophobicContact CE1-CB 4.37Å; Y298-N335 HydrophobicContact CG-CB 3.82Å |
| 299 | N | 74.7 | Confident | 78.7 | Confident | 105 Ų | 105 | 52 Ų | 52 | 56% | 0.561 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 17.5 | -175.2 | -64 | -24.4 | 0 | 0 | 0 | 115.4 | S332 V333 Q334 | N299-S332 VanDerWaalsContact C-OG 3.27Å; N299-S332 WeakPolarHBondContact CA-OG 3.41Å; N299-S332 PolarHBondContact O-OG 3.02Å; N299-V333 PolarHBondContact N-O 3.49Å; N299-Q334 WeakPolarHBondContact OD1-CA 3.5Å |
| 300 | M | 74.5 | Confident | 78.8 | Confident | 58 Ų | 58 | 51.6 Ų | 51.6 | 29% | 0.286 | 25% | 0.25 | S | C | . | . | trans | -119 | 144.4 | 174.4 | -64.4 | -134.2 | -65.5 | 0 | 0 | 110.7 | N250 V297 Y298 Y302 S332 | N250-M300 WeakPolarHBondContact ND2-CE 3.47Å; V297-M300 HydrophobicContact CB-CE 3.77Å; V297-M300 HydrophobicContact CB-CG 4.3Å; V297-M300 HydrophobicContact CG1-CE 4.03Å; V297-M300 HydrophobicContact CG1-CG 4.01Å; V297-M300 HydrophobicContact CG2-CE 4.06Å; Y298-M300 PolarHBondContact O-N 3.11Å; M300-Y302 HydrophobicContact CB-CE2 4.16Å; M300-Y302 HydrophobicContact CE-CE1 4.48Å; M300-S332 WeakPolarHBondContact O-CA 3.28Å | ||
| 301 | S | 78.7 | Confident | 79 | Confident | 31 Ų | 31 | 58 Ų | 58 | 22% | 0.217 | 27% | 0.273 | C | S | . | . | trans | -92.8 | 136 | 172.7 | 56.4 | 0 | 0 | 0 | 0 | 110.5 | V330 | S301-V330 VanDerWaalsContact CA-O 3.32Å; S301-V330 WeakPolarHBondContact CA-O 3.46Å | ||
| 302 | Y | 79.6 | Confident | 79.2 | Confident | 15 Ų | 15 | 55.8 Ų | 55.8 | 6% | 0.059 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 138.6 | 179 | -59 | -81.5 | 0 | 0 | 0 | 110.6 | I248 F296 V297 M300 V330 | I248-Y302 HydrophobicContact CG2-CD1 3.34Å; I248-Y302 HydrophobicContact CG2-CE1 3.99Å; I248-Y302 HydrophobicContact CG2-CG 4.13Å; F296-Y302 HydrophobicContact CD2-CD2 4.49Å; F296-Y302 AromaticContact CD2-CE2 3.93Å; F296-Y302 HydrophobicContact CD2-CE2 3.93Å; F296-Y302 AromaticContact CE2-CD2 3.79Å; F296-Y302 HydrophobicContact CE2-CD2 3.79Å; F296-Y302 AromaticContact CE2-CE2 3.46Å; F296-Y302 HydrophobicContact CE2-CE2 3.46Å; F296-Y302 VanDerWaalsContact CE2-CE2 3.46Å; F296-Y302 HydrophobicContact CZ-CD2 4.36Å; F296-Y302 AromaticContact CZ-CE2 3.89Å; F296-Y302 HydrophobicContact CZ-CE2 3.89Å; V297-Y302 VanDerWaalsContact CA-OH 3.3Å; V297-Y302 WeakPolarHBondContact CA-OH 3.3Å; V297-Y302 WeakPolarHBondContact CB-OH 3.48Å; V297-Y302 PolarHBondContact N-OH 2.85Å; V297-Y302 PolarHBondContact O-OH 2.78Å; M300-Y302 HydrophobicContact CB-CE2 4.16Å; M300-Y302 HydrophobicContact CE-CE1 4.48Å; Y302-V330 HydrophobicContact CD2-CG1 4.44Å; Y302-V330 PolarHBondContact N-O 3.1Å; Y302-V330 PolarHBondContact O-N 3.44Å |
| 303 | L | 82.7 | Confident | 79.3 | Confident | 25 Ų | 25 | 56.7 Ų | 56.7 | 13% | 0.131 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 116.2 | 163.9 | 177.2 | 65.2 | 0 | 0 | 0 | 107.6 | I249 A254 I305 | I249-L303 HydrophobicContact CB-CB 4.43Å; I249-L303 PolarHBondContact N-O 3.39Å; I249-L303 PolarHBondContact O-N 3.49Å; A254-L303 HydrophobicContact CB-CB 4.35Å; L303-I305 HydrophobicContact CD2-CD1 4.12Å; L303-I305 HydrophobicContact CD2-CG1 4.45Å; L303-I305 HydrophobicContact CG-CD1 4.31Å; L303-I305 HydrophobicContact CG-CG1 4.13Å |
| 304 | L | 83.5 | Confident | 79.4 | Confident | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.016 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 132.5 | 178.6 | -70 | 90.4 | 0 | 0 | 0 | 109.1 | F246 C247 S327 F328 V330 L393 | F246-L304 HydrophobicContact CB-CB 4.09Å; F246-L304 HydrophobicContact CB-CD2 3.85Å; F246-L304 HydrophobicContact CB-CG 4.42Å; F246-L304 HydrophobicContact CD1-CB 4.06Å; F246-L304 HydrophobicContact CG-CB 4.31Å; F246-L304 HydrophobicContact CG-CD2 4.26Å; C247-L304 WeakPolarHBondContact O-CA 3.3Å; L304-S327 WeakPolarHBondContact O-CA 3.5Å; L304-F328 HydrophobicContact CB-CD1 4.34Å; L304-F328 HydrophobicContact CB-CE1 3.97Å; L304-F328 HydrophobicContact CB-CE2 4.16Å; L304-F328 HydrophobicContact CB-CZ 3.87Å; L304-F328 HydrophobicContact CD1-CD2 4.39Å; L304-F328 HydrophobicContact CD1-CE2 3.91Å; L304-F328 HydrophobicContact CD1-CZ 4.31Å; L304-F328 HydrophobicContact CD2-CE2 4.15Å; L304-F328 HydrophobicContact CD2-CZ 3.79Å; L304-F328 HydrophobicContact CG-CE2 4.32Å; L304-F328 HydrophobicContact CG-CZ 4.22Å; L304-F328 PolarHBondContact N-O 2.87Å; L304-F328 PolarHBondContact O-N 2.86Å; L304-V330 HydrophobicContact CD1-CB 3.91Å; L304-V330 HydrophobicContact CD1-CG2 3.31Å; L304-L393 HydrophobicContact CD2-CD1 4.46Å; L304-L393 HydrophobicContact CD2-CD2 3.25Å; L304-L393 HydrophobicContact CD2-CG 4.48Å |
| 305 | I | 84.9 | Confident | 79.8 | Confident | 15 Ų | 15 | 49 Ų | 49 | 8% | 0.077 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 130.1 | -178.7 | -56 | 172.9 | 0 | 0 | 0 | 108.7 | C247 I249 L267 L270 L303 I326 | C247-I305 WeakPolarHBondContact CB-O 3.45Å; C247-I305 PolarHBondContact N-O 2.98Å; C247-I305 PolarHBondContact O-N 2.94Å; I249-I305 HydrophobicContact CD1-CD1 3.41Å; I249-I305 VanDerWaalsContact CD1-CD1 3.41Å; I249-I305 HydrophobicContact CG1-CD1 4.19Å; L267-I305 HydrophobicContact CD2-CD1 3.87Å; L267-I305 HydrophobicContact CD2-CG1 4.41Å; L267-I305 HydrophobicContact CD2-CG2 4Å; L270-I305 HydrophobicContact CD1-CD1 4.15Å; L303-I305 HydrophobicContact CD2-CD1 4.12Å; L303-I305 HydrophobicContact CD2-CG1 4.45Å; L303-I305 HydrophobicContact CG-CD1 4.31Å; L303-I305 HydrophobicContact CG-CG1 4.13Å; I305-I326 CarbonylContact C-O 3.57Å; I305-I326 VanDerWaalsContact CA-O 3.3Å; I305-I326 WeakPolarHBondContact CA-O 3.2Å |
| 306 | A | 86.7 | Confident | 80.3 | Confident | 2 Ų | 2 | 50 Ų | 50 | 2% | 0.017 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 152.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | L244 E245 F246 N325 I326 | L244-A306 HydrophobicContact CB-CB 4.35Å; L244-A306 HydrophobicContact CD2-CB 4.18Å; E245-A306 WeakPolarHBondContact O-CB 3.49Å; F246-A306 HydrophobicContact CD1-CB 3.45Å; F246-A306 VanDerWaalsContact CD1-CB 3.45Å; F246-A306 HydrophobicContact CE1-CB 3.45Å; F246-A306 VanDerWaalsContact CE1-CB 3.45Å; F246-A306 HydrophobicContact CG-CB 4.13Å; F246-A306 HydrophobicContact CZ-CB 4.17Å; A306-N325 WeakPolarHBondContact O-CA 3.38Å; A306-I326 PolarHBondContact N-O 3.45Å; A306-I326 PolarHBondContact O-N 3.43Å |
| 307 | K | 85.6 | Confident | 80.7 | Confident | 102 Ų | 102 | 51.2 Ų | 51.2 | 44% | 0.443 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 130.2 | 173 | -58.1 | -163.6 | -179.3 | -171.1 | 0 | 109.1 | L244 D271 N325 | L244-K307 WeakPolarHBondContact CD2-O 3.32Å; D271-K307 IonicContact OD1-NZ 3.86Å; D271-K307 PolarHBondContact OD1-NZ 3.08Å; K307-N325 WeakPolarHBondContact CG-OD1 3.2Å |
| 308 | M | 86.2 | Confident | 81.1 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 174.9 | 175.2 | 68.5 | 169.8 | -35.3 | 0 | 0 | 110.5 | L237 L244 H312 I313 K323 L324 I326 | L237-M308 HydrophobicContact CD1-CE 4.16Å; L244-M308 HydrophobicContact CD1-CB 4.03Å; L244-M308 HydrophobicContact CD2-CB 4.08Å; M308-H312 HydrophobicContact CE-CB 3.9Å; M308-I313 HydrophobicContact CE-CG2 3.3Å; M308-I313 HydrophobicContact SD-CG2 4.15Å; M308-K323 CarbonylContact O-C 3.46Å; M308-K323 WeakPolarHBondContact O-CA 3.45Å; M308-L324 HydrophobicContact CG-CB 3.64Å; M308-L324 HydrophobicContact CG-CD1 3.63Å; M308-L324 HydrophobicContact CG-CG 4.17Å; M308-L324 VanDerWaalsContact CG-O 3.3Å; M308-L324 WeakPolarHBondContact CG-O 3.45Å; M308-L324 PolarHBondContact N-O 3.31Å; M308-L324 PolarHBondContact O-N 3.14Å; M308-L324 VanDerWaalsContact O-O 3.13Å; M308-L324 HydrophobicContact SD-CB 4.16Å; M308-L324 HydrophobicContact SD-CD1 4.11Å; M308-I326 HydrophobicContact CB-CD1 4.17Å; M308-I326 HydrophobicContact CG-CD1 3.76Å; M308-I326 HydrophobicContact CG-CG1 4.26Å; M308-I326 HydrophobicContact SD-CD1 3.48Å; M308-I326 WeakPolarHBondContact SD-CD1 3.35Å; M308-I326 HydrophobicContact SD-CG1 3.96Å |
| 309 | H | 86.2 | Confident | 81.2 | Confident | 55 Ų | 55 | 53.4 Ų | 53.4 | 26% | 0.255 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 156.3 | 179.2 | -60.7 | 71.4 | 0 | 0 | 0 | 111.2 | R311 H312 L321 Q322 L324 | H309-R311 HydrophobicContact CB-CG 4.13Å; H309-R311 PolarHBondContact O-N 3.4Å; H309-R311 VanDerWaalsContact O-N 3.08Å; H309-H312 WeakPolarHBondContact CA-ND1 3.43Å; H309-H312 WeakPolarHBondContact CB-ND1 3.45Å; H309-H312 PolarHBondContact N-ND1 2.88Å; H309-H312 AromaticContact ND1-CE1 3.72Å; H309-H312 WeakPolarHBondContact O-CB 3.21Å; H309-H312 PolarHBondContact O-N 2.81Å; H309-H312 PolarHBondContact O-ND1 3.02Å; H309-L321 PolarHBondContact CD2-O 3.12Å; H309-Q322 CarbonylContact C-O 3.53Å; H309-Q322 VanDerWaalsContact CA-O 3.23Å; H309-Q322 WeakPolarHBondContact CA-O 3.41Å; H309-L324 VanDerWaalsContact CA-CD1 3.48Å |
| 310 | G | 82.7 | Confident | 81.6 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -32.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | H312 I313 G314 I315 A320 Q322 L324 | G310-H312 PolarHBondContact O-N 2.98Å; G310-I313 WeakPolarHBondContact O-CG1 3.45Å; G310-I313 PolarHBondContact O-N 2.93Å; G310-G314 PolarHBondContact O-N 3.06Å; G310-I315 WeakPolarHBondContact O-CB 3.39Å; G310-I315 PolarHBondContact O-N 3.03Å; G310-A320 PolarHBondContact N-O 2.92Å; G310-Q322 PolarHBondContact N-O 3.38Å; G310-L324 VanDerWaalsContact N-CD1 3.28Å |
| 311 | R | 82 | Confident | 82.1 | Confident | 137 Ų | 137 | 52.2 Ų | 52.2 | 52% | 0.517 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -33.9 | 175.7 | 65.9 | -175 | -175.2 | -169.4 | -1.6 | 113.5 | H309 G314 A320 | H309-R311 HydrophobicContact CB-CG 4.13Å; H309-R311 PolarHBondContact O-N 3.4Å; H309-R311 VanDerWaalsContact O-N 3.08Å; R311-G314 PolarHBondContact O-N 3.32Å; R311-G314 VanDerWaalsContact O-N 3.12Å; R311-A320 HydrophobicContact CB-CB 4.03Å; R311-A320 WeakPolarHBondContact CB-O 3.45Å; R311-A320 PolarHBondContact N-O 3Å |
| 312 | H | 81.5 | Confident | 82.3 | Confident | 44 Ų | 44 | 52.8 Ų | 52.8 | 20% | 0.204 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -40 | -179.6 | -54 | 98.9 | 0 | 0 | 0 | 109.8 | K236 E240 M308 H309 G310 G314 | K236-H312 WeakPolarHBondContact CE-O 3.44Å; E240-H312 HydrophobicContact CB-CB 4.24Å; E240-H312 HydrophobicContact CG-CB 4.27Å; E240-H312 WeakPolarHBondContact CG-O 3.35Å; E240-H312 IonicContact OE2-CD2 2.7Å; E240-H312 PolarHBondContact OE2-CD2 2.93Å; E240-H312 IonicContact OE2-CG 2.75Å; M308-H312 HydrophobicContact CE-CB 3.9Å; H309-H312 WeakPolarHBondContact CA-ND1 3.43Å; H309-H312 WeakPolarHBondContact CB-ND1 3.45Å; H309-H312 PolarHBondContact N-ND1 2.88Å; H309-H312 AromaticContact ND1-CE1 3.72Å; H309-H312 WeakPolarHBondContact O-CB 3.21Å; H309-H312 PolarHBondContact O-N 2.81Å; H309-H312 PolarHBondContact O-ND1 3.02Å; G310-H312 PolarHBondContact O-N 2.98Å; H312-G314 PolarHBondContact O-N 3.07Å; H312-G314 VanDerWaalsContact O-N 3.16Å |
| 313 | I | 76.2 | Confident | 82.5 | Confident | 26 Ų | 26 | 57.8 Ų | 57.8 | 13% | 0.133 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 5.3 | 173.1 | 63.6 | 170.1 | 0 | 0 | 0 | 114.3 | L237 M308 G310 I315 L324 I362 | L237-I313 HydrophobicContact CD1-CG2 3.42Å; L237-I313 VanDerWaalsContact CD1-CG2 3.42Å; M308-I313 HydrophobicContact CE-CG2 3.3Å; M308-I313 HydrophobicContact SD-CG2 4.15Å; G310-I313 WeakPolarHBondContact O-CG1 3.45Å; G310-I313 PolarHBondContact O-N 2.93Å; I313-I315 HydrophobicContact CD1-CD1 3.49Å; I313-I315 VanDerWaalsContact CD1-CD1 3.49Å; I313-I315 HydrophobicContact CD1-CG1 3.97Å; I313-I315 HydrophobicContact CG1-CD1 3.94Å; I313-I315 HydrophobicContact CG1-CG1 3.93Å; I313-L324 HydrophobicContact CD1-CD2 3.86Å; I313-I362 HydrophobicContact CD1-CG2 3.63Å |
| 314 | G | 74 | Confident | 82.5 | Confident | 26 Ų | 26 | 56.7 Ų | 56.7 | 27% | 0.268 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.2 | 8.9 | 178 | 0 | 0 | 0 | 0 | 0 | 115.9 | G310 R311 H312 K316 | G310-G314 PolarHBondContact O-N 3.06Å; R311-G314 PolarHBondContact O-N 3.32Å; R311-G314 VanDerWaalsContact O-N 3.12Å; H312-G314 PolarHBondContact O-N 3.07Å; H312-G314 VanDerWaalsContact O-N 3.16Å; G314-K316 PolarHBondContact O-N 3.05Å |
| 315 | I | 77.8 | Confident | 82.6 | Confident | 43 Ų | 43 | 57.1 Ų | 57.1 | 22% | 0.221 | 30% | 0.296 | C | S | . | . | trans | -67 | 133.3 | 169.8 | -65 | 174.3 | 0 | 0 | 0 | 108.9 | G310 I313 L319 A320 I362 | G310-I315 WeakPolarHBondContact O-CB 3.39Å; G310-I315 PolarHBondContact O-N 3.03Å; I313-I315 HydrophobicContact CD1-CD1 3.49Å; I313-I315 VanDerWaalsContact CD1-CD1 3.49Å; I313-I315 HydrophobicContact CD1-CG1 3.97Å; I313-I315 HydrophobicContact CG1-CD1 3.94Å; I313-I315 HydrophobicContact CG1-CG1 3.93Å; I315-L319 HydrophobicContact CG2-CB 3.51Å; I315-A320 VanDerWaalsContact O-CB 3.24Å; I315-A320 WeakPolarHBondContact O-CB 3.25Å; I315-I362 HydrophobicContact CD1-CB 4.27Å; I315-I362 HydrophobicContact CD1-CG1 4.31Å; I315-I362 HydrophobicContact CD1-CG2 3.57Å | ||
| 316 | K | 80.7 | Confident | 82.7 | Confident | 189 Ų | 189 | 56.4 Ų | 56.4 | 82% | 0.822 | 29% | 0.292 | S | S | * | . | trans | -106.5 | 163.8 | 176 | -63.4 | -176.3 | -179.7 | -179.6 | 0 | 110.3 | G314 | G314-K316 PolarHBondContact O-N 3.05Š| ||
| 317 | G | 84.2 | Confident | 82.6 | Confident | 50 Ų | 50 | 56.9 Ų | 56.9 | 52% | 0.515 | 30% | 0.295 | S | S | . | . | S | Bend | trans | 81.7 | -157.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L319 A320 | G317-L319 PolarHBondContact O-N 2.85Å; G317-A320 WeakPolarHBondContact O-CB 3.33Å; G317-A320 PolarHBondContact O-N 3Å |
| 318 | P | 83.2 | Confident | 82.6 | Confident | 125 Ų | 125 | 52.3 Ų | 52.3 | 81% | 0.812 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -58.2 | -34.6 | -174.9 | -25.2 | 34.3 | 0 | 0 | 0 | 113.8 | A320 L321 | P318-A320 PolarHBondContact O-N 3.37Å; P318-L321 PolarHBondContact O-N 3.45Å |
| 319 | L | 80.6 | Confident | 82.3 | Confident | 69 Ų | 69 | 54.3 Ų | 54.3 | 36% | 0.361 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -69.5 | -13.5 | 178.3 | -62.7 | 175.4 | 0 | 0 | 0 | 113.2 | I315 G317 L321 Q322 A361 | I315-L319 HydrophobicContact CG2-CB 3.51Å; G317-L319 PolarHBondContact O-N 2.85Å; L319-L321 PolarHBondContact O-N 2.92Å; L319-Q322 WeakPolarHBondContact O-CB 3.28Å; L319-Q322 PolarHBondContact O-N 3.16Å; L319-Q322 VanDerWaalsContact O-N 3.14Å; L319-A361 HydrophobicContact CD2-CB 3.77Å |
| 320 | A | 82.6 | Confident | 82.1 | Confident | 15 Ų | 15 | 51.8 Ų | 51.8 | 12% | 0.124 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -65.1 | -26.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | G310 R311 I315 G317 P318 | G310-A320 PolarHBondContact N-O 2.92Å; R311-A320 HydrophobicContact CB-CB 4.03Å; R311-A320 WeakPolarHBondContact CB-O 3.45Å; R311-A320 PolarHBondContact N-O 3Å; I315-A320 VanDerWaalsContact O-CB 3.24Å; I315-A320 WeakPolarHBondContact O-CB 3.25Å; G317-A320 WeakPolarHBondContact O-CB 3.33Å; G317-A320 PolarHBondContact O-N 3Å; P318-A320 PolarHBondContact O-N 3.37Å |
| 321 | L | 84.1 | Confident | 81.8 | Confident | 123 Ų | 123 | 54.8 Ų | 54.8 | 64% | 0.644 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -90.5 | -0.3 | 177.8 | -64.8 | 176.7 | 0 | 0 | 0 | 113.2 | H309 P318 L319 | H309-L321 PolarHBondContact CD2-O 3.12Å; P318-L321 PolarHBondContact O-N 3.45Å; L319-L321 PolarHBondContact O-N 2.92Å |
| 322 | Q | 83.4 | Confident | 81.6 | Confident | 44 Ų | 44 | 51.2 Ų | 51.2 | 21% | 0.206 | 29% | 0.29 | C | S | . | . | trans | -78.6 | 137.3 | -176.9 | -163.8 | 172.4 | 24.2 | 0 | 0 | 111.2 | H309 G310 L319 T359 I362 | H309-Q322 CarbonylContact C-O 3.53Å; H309-Q322 VanDerWaalsContact CA-O 3.23Å; H309-Q322 WeakPolarHBondContact CA-O 3.41Å; G310-Q322 PolarHBondContact N-O 3.38Å; L319-Q322 WeakPolarHBondContact O-CB 3.28Å; L319-Q322 PolarHBondContact O-N 3.16Å; L319-Q322 VanDerWaalsContact O-N 3.14Å; Q322-T359 VanDerWaalsContact CD-OG1 3.28Å; Q322-T359 PolarHBondContact NE2-OG1 3.41Å; Q322-T359 PolarHBondContact OE1-OG1 3.43Å; Q322-I362 HydrophobicContact CB-CD1 3.72Å; Q322-I362 HydrophobicContact CB-CG1 4.38Å; Q322-I362 HydrophobicContact CG-CD1 3.73Å; Q322-I362 HydrophobicContact CG-CG1 4.36Å | ||
| 323 | K | 83.6 | Confident | 81.2 | Confident | 120 Ų | 120 | 50.5 Ų | 50.5 | 52% | 0.522 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 142.1 | -176.5 | -61 | 177.5 | -176.9 | 174.9 | 0 | 111.3 | M308 | M308-K323 CarbonylContact O-C 3.46Å; M308-K323 WeakPolarHBondContact O-CA 3.45Å |
| 324 | L | 83.6 | Confident | 80.9 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 137.7 | 167.8 | -33.2 | 88.4 | 0 | 0 | 0 | 108.3 | M308 H309 G310 I313 T357 A358 I362 F363 | M308-L324 HydrophobicContact CG-CB 3.64Å; M308-L324 HydrophobicContact CG-CD1 3.63Å; M308-L324 HydrophobicContact CG-CG 4.17Å; M308-L324 VanDerWaalsContact CG-O 3.3Å; M308-L324 WeakPolarHBondContact CG-O 3.45Å; M308-L324 PolarHBondContact N-O 3.31Å; M308-L324 PolarHBondContact O-N 3.14Å; M308-L324 VanDerWaalsContact O-O 3.13Å; M308-L324 HydrophobicContact SD-CB 4.16Å; M308-L324 HydrophobicContact SD-CD1 4.11Å; H309-L324 VanDerWaalsContact CA-CD1 3.48Å; G310-L324 VanDerWaalsContact N-CD1 3.28Å; I313-L324 HydrophobicContact CD1-CD2 3.86Å; L324-T357 WeakPolarHBondContact CA-O 3.24Å; L324-A358 HydrophobicContact CB-CB 4.06Å; L324-A358 HydrophobicContact CD2-CB 3.97Å; L324-A358 HydrophobicContact CG-CB 4.07Å; L324-I362 HydrophobicContact CD1-CD1 4.23Å; L324-I362 HydrophobicContact CD2-CB 4.37Å; L324-I362 HydrophobicContact CD2-CD1 3.83Å; L324-I362 HydrophobicContact CD2-CG2 3.43Å; L324-I362 VanDerWaalsContact CD2-CG2 3.43Å; L324-I362 HydrophobicContact CG-CD1 3.69Å; L324-I362 HydrophobicContact CG-CG2 4.43Å; L324-F363 HydrophobicContact CD2-CE2 3.83Å; L324-F363 HydrophobicContact CD2-CZ 3.92Å |
| 325 | N | 84.9 | Confident | 80.5 | Confident | 12 Ų | 12 | 58.7 Ų | 58.7 | 6% | 0.064 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 136.4 | 178.7 | -56.6 | -34.5 | 0 | 0 | 0 | 109.7 | D271 A306 K307 T357 | D271-N325 PolarHBondContact OD2-ND2 3.27Å; A306-N325 WeakPolarHBondContact O-CA 3.38Å; K307-N325 WeakPolarHBondContact CG-OD1 3.2Å; N325-T357 WeakPolarHBondContact CB-OG1 3.11Å; N325-T357 PolarHBondContact N-O 3.35Å; N325-T357 PolarHBondContact O-N 3.45Å; N325-T357 PolarHBondContact O-OG1 3.42Å |
| 326 | I | 86.9 | Confident | 79.8 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 134.7 | -179.8 | -59 | 150.7 | 0 | 0 | 0 | 107.5 | L241 L244 F246 I305 A306 M308 V354 T355 F356 | L241-I326 HydrophobicContact CD2-CD1 3.3Å; L241-I326 HydrophobicContact CD2-CG1 4.14Å; L241-I326 HydrophobicContact CD2-CG2 4.31Å; L244-I326 HydrophobicContact CD1-CD1 3.69Å; F246-I326 HydrophobicContact CE1-CG2 4.26Å; I305-I326 CarbonylContact C-O 3.57Å; I305-I326 VanDerWaalsContact CA-O 3.3Å; I305-I326 WeakPolarHBondContact CA-O 3.2Å; A306-I326 PolarHBondContact N-O 3.45Å; A306-I326 PolarHBondContact O-N 3.43Å; M308-I326 HydrophobicContact CB-CD1 4.17Å; M308-I326 HydrophobicContact CG-CD1 3.76Å; M308-I326 HydrophobicContact CG-CG1 4.26Å; M308-I326 HydrophobicContact SD-CD1 3.48Å; M308-I326 WeakPolarHBondContact SD-CD1 3.35Å; M308-I326 HydrophobicContact SD-CG1 3.96Å; I326-V354 HydrophobicContact CG2-CG1 3.45Å; I326-V354 VanDerWaalsContact CG2-CG1 3.45Å; I326-T355 CarbonylContact C-O 3.58Å; I326-T355 WeakPolarHBondContact CA-O 3.42Å; I326-F356 HydrophobicContact CD1-CE1 4.38Å; I326-F356 HydrophobicContact CG1-CD1 3.8Å; I326-F356 HydrophobicContact CG1-CE1 3.84Å; I326-F356 HydrophobicContact CG2-CE1 4.47Å |
| 327 | S | 84.5 | Confident | 78.7 | Confident | 12 Ų | 12 | 58.7 Ų | 58.7 | 8% | 0.084 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 139.7 | 175.1 | 62.1 | 0 | 0 | 0 | 0 | 112.4 | L304 T355 | L304-S327 WeakPolarHBondContact O-CA 3.5Å; S327-T355 PolarHBondContact N-O 2.95Å; S327-T355 PolarHBondContact O-N 2.77Å |
| 328 | F | 84.9 | Confident | 77.1 | Confident | 6 Ų | 6 | 67.9 Ų | 67.9 | 3% | 0.026 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 157 | 171.9 | 65.7 | -90 | 0 | 0 | 0 | 111.9 | F246 L288 I290 L304 V330 T352 V354 | F246-F328 AromaticContact CD1-CE1 3.75Å; F246-F328 HydrophobicContact CD1-CE1 3.75Å; F246-F328 HydrophobicContact CD1-CZ 4.49Å; F246-F328 HydrophobicContact CE1-CD1 4.13Å; F246-F328 AromaticContact CE1-CE1 3.46Å; F246-F328 HydrophobicContact CE1-CE1 3.46Å; F246-F328 VanDerWaalsContact CE1-CE1 3.46Å; F246-F328 HydrophobicContact CE1-CZ 4.46Å; F246-F328 HydrophobicContact CE2-CE1 4.39Å; F246-F328 HydrophobicContact CG-CE1 4.37Å; F246-F328 AromaticContact CZ-CE1 3.81Å; F246-F328 HydrophobicContact CZ-CE1 3.81Å; L288-F328 HydrophobicContact CD1-CD1 4.41Å; L288-F328 HydrophobicContact CD1-CD2 3.83Å; L288-F328 HydrophobicContact CD1-CE1 4.27Å; L288-F328 HydrophobicContact CD1-CE2 3.68Å; L288-F328 HydrophobicContact CD1-CG 4.19Å; L288-F328 HydrophobicContact CD1-CZ 3.92Å; I290-F328 HydrophobicContact CD1-CE2 4.16Å; L304-F328 HydrophobicContact CB-CD1 4.34Å; L304-F328 HydrophobicContact CB-CE1 3.97Å; L304-F328 HydrophobicContact CB-CE2 4.16Å; L304-F328 HydrophobicContact CB-CZ 3.87Å; L304-F328 HydrophobicContact CD1-CD2 4.39Å; L304-F328 HydrophobicContact CD1-CE2 3.91Å; L304-F328 HydrophobicContact CD1-CZ 4.31Å; L304-F328 HydrophobicContact CD2-CE2 4.15Å; L304-F328 HydrophobicContact CD2-CZ 3.79Å; L304-F328 HydrophobicContact CG-CE2 4.32Å; L304-F328 HydrophobicContact CG-CZ 4.22Å; L304-F328 PolarHBondContact N-O 2.87Å; L304-F328 PolarHBondContact O-N 2.86Å; F328-V330 HydrophobicContact CD2-CG2 4.12Å; F328-V330 HydrophobicContact CE2-CG2 3.69Å; F328-T352 HydrophobicContact CB-CG2 4.21Å; F328-T352 HydrophobicContact CD2-CG2 3.97Å; F328-T352 HydrophobicContact CG-CG2 4.39Å; F328-V354 HydrophobicContact CB-CB 4.44Å; F328-V354 HydrophobicContact CB-CG2 3.98Å; F328-V354 HydrophobicContact CD1-CG2 4.32Å; F328-V354 HydrophobicContact CG-CG2 4.28Å |
| 329 | L | 80.1 | Confident | 75.7 | Confident | 43 Ų | 43 | 72 Ų | 72 | 23% | 0.225 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 132 | 178.6 | -170.2 | 81.8 | 0 | 0 | 0 | 110.1 | A254 A258 T352 | A254-L329 HydrophobicContact CB-CD1 4.36Å; A258-L329 HydrophobicContact CB-CD1 4.38Å; L329-T352 PolarHBondContact O-OG1 3.35Å |
| 330 | V | 81.6 | Confident | 74.5 | Confident | 3 Ų | 3 | 71.1 Ų | 71.1 | 2% | 0.018 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 113.2 | 163.1 | 172.5 | 0 | 0 | 0 | 0 | 107.8 | I290 S301 Y302 L304 F328 L350 | I290-V330 HydrophobicContact CD1-CG1 4.45Å; I290-V330 HydrophobicContact CD1-CG2 3.33Å; S301-V330 VanDerWaalsContact CA-O 3.32Å; S301-V330 WeakPolarHBondContact CA-O 3.46Å; Y302-V330 HydrophobicContact CD2-CG1 4.44Å; Y302-V330 PolarHBondContact N-O 3.1Å; Y302-V330 PolarHBondContact O-N 3.44Å; L304-V330 HydrophobicContact CD1-CB 3.91Å; L304-V330 HydrophobicContact CD1-CG2 3.31Å; F328-V330 HydrophobicContact CD2-CG2 4.12Å; F328-V330 HydrophobicContact CE2-CG2 3.69Å; V330-L350 HydrophobicContact CB-CD1 4.29Å; V330-L350 HydrophobicContact CG1-CD1 3.83Å; V330-L350 HydrophobicContact CG2-CD1 3.86Å |
| 331 | P | 77.8 | Confident | 73.1 | Confident | 62 Ų | 62 | 81 Ų | 81 | 40% | 0.403 | 40% | 0.398 | S | S | . | . | trans | -66.8 | 160.4 | 177.3 | 29.7 | -34.4 | 0 | 0 | 0 | 110.7 | V333 L350 | P331-V333 WeakPolarHBondContact O-CG2 3.3Å; P331-V333 PolarHBondContact O-N 3.05Å; P331-L350 HydrophobicContact CG-CD2 3.79Å | ||
| 332 | S | 77.4 | Confident | 71.7 | Confident | 62 Ų | 62 | 82.7 Ų | 82.7 | 43% | 0.434 | 40% | 0.402 | S | S | . | . | trans | -59.5 | 106.9 | 174.4 | 158.5 | 0 | 0 | 0 | 0 | 111 | N299 M300 | N299-S332 VanDerWaalsContact C-OG 3.27Å; N299-S332 WeakPolarHBondContact CA-OG 3.41Å; N299-S332 PolarHBondContact O-OG 3.02Å; M300-S332 WeakPolarHBondContact O-CA 3.28Å | ||
| 333 | V | 72.8 | Confident | 70.3 | Confident | 29 Ų | 29 | 85.1 Ų | 85.1 | 18% | 0.176 | 42% | 0.422 | C | S | . | . | trans | -85.7 | 126 | 176.2 | -173.5 | 0 | 0 | 0 | 0 | 109.3 | N299 P331 V348 | N299-V333 PolarHBondContact N-O 3.49Å; P331-V333 WeakPolarHBondContact O-CG2 3.3Å; P331-V333 PolarHBondContact O-N 3.05Å; V333-V348 HydrophobicContact CB-CG1 4.49Å; V333-V348 HydrophobicContact CG1-CG1 4.01Å; V333-V348 HydrophobicContact CG1-CG2 4.15Å; V333-V348 HydrophobicContact CG2-CG1 3.63Å; V333-V348 HydrophobicContact CG2-CG2 4.46Å | ||
| 334 | Q | 69.4 | Low | 68.9 | Low | 153 Ų | 153 | 82.9 Ų | 82.9 | 72% | 0.715 | 42% | 0.416 | S | S | * | . | trans | -76.2 | 136.6 | 173.7 | -64.3 | -173.2 | 9.9 | 0 | 0 | 110.3 | N299 E336 | N299-Q334 WeakPolarHBondContact OD1-CA 3.5Å; Q334-E336 PolarHBondContact O-N 3.42Å | ||
| 335 | N | 67.1 | Low | 67.8 | Low | 71 Ų | 71 | 87.7 Ų | 87.7 | 38% | 0.38 | 44% | 0.437 | S | S | . | . | trans | -75.6 | 104 | 171 | -175.9 | 3.4 | 0 | 0 | 0 | 109.5 | Y298 N337 | Y298-N335 HydrophobicContact CD1-CB 3.89Å; Y298-N335 HydrophobicContact CD2-CB 4.23Å; Y298-N335 HydrophobicContact CE1-CB 4.37Å; Y298-N335 HydrophobicContact CG-CB 3.82Å; N335-N337 PolarHBondContact O-N 2.82Å; N335-N337 PolarHBondContact OD1-N 3.3Å | ||
| 336 | E | 62.7 | Low | 67.1 | Low | 179 Ų | 179 | 94.4 Ų | 94.4 | 84% | 0.836 | 46% | 0.462 | S | S | * | . | trans | -68.9 | -13.2 | 175.8 | -66.5 | -148.3 | 154.3 | 0 | 0 | 113.3 | Q334 R338 | Q334-E336 PolarHBondContact O-N 3.42Å; E336-R338 PolarHBondContact O-N 3.19Å | ||
| 337 | N | 56.7 | Low | 66.5 | Low | 54 Ų | 54 | 96.9 Ų | 96.9 | 29% | 0.289 | 48% | 0.478 | S | S | . | . | trans | -99.3 | 80.5 | -179.7 | -76.3 | -23.3 | 0 | 0 | 0 | 112.2 | N335 K339 N344 | N335-N337 PolarHBondContact O-N 2.82Å; N335-N337 PolarHBondContact OD1-N 3.3Å; N337-K339 PolarHBondContact O-N 3.07Å; N337-N344 PolarHBondContact ND2-ND2 2.91Å | ||
| 338 | R | 51.9 | Low | 66 | Low | 242 Ų | 242 | 97.3 Ų | 97.3 | 91% | 0.913 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -77.2 | 3.6 | 166 | -83.6 | -171 | 177.7 | -173 | 0.3 | 114.8 | E336 | E336-R338 PolarHBondContact O-N 3.19Š|
| 339 | K | 53.6 | Low | 65.7 | Low | 211 Ų | 211 | 102.3 Ų | 102.3 | 92% | 0.917 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -135.2 | 10.7 | -169.4 | -78.1 | -172.1 | 177.6 | -179.9 | 0 | 118.4 | N337 | N337-K339 PolarHBondContact O-N 3.07Š|
| 340 | G | 54.7 | Low | 65.6 | Low | 52 Ų | 52 | 101 Ų | 101 | 54% | 0.536 | 50% | 0.496 | S | S | . | . | trans | -119.5 | 134.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E342 | G340-E342 VanDerWaalsContact C-N 3.27Å; G340-E342 PolarHBondContact O-N 3.27Å | ||
| 341 | K | 53.8 | Low | 65.5 | Low | 223 Ų | 223 | 109 Ų | 109 | 97% | 0.97 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -82.6 | 6.8 | 175.7 | -91.4 | -172.7 | 177.6 | -177 | 0 | 114.1 | ||
| 342 | E | 53.5 | Low | 65.5 | Low | 157 Ų | 157 | 107 Ų | 107 | 73% | 0.734 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -100.9 | 136.4 | 174.6 | -70.6 | -177.9 | 171.9 | 0 | 0 | 110 | G340 N344 | G340-E342 VanDerWaalsContact C-N 3.27Å; G340-E342 PolarHBondContact O-N 3.27Å; E342-N344 VanDerWaalsContact C-N 3.28Å; E342-N344 PolarHBondContact O-N 2.78Å |
| 343 | P | 54.2 | Low | 65.6 | Low | 96 Ų | 96 | 107.5 Ų | 107.5 | 62% | 0.623 | 52% | 0.52 | S | S | * | . | trans | -64.7 | 94.2 | 171.5 | 28 | -32.1 | 0 | 0 | 0 | 107.8 | F345 | P343-F345 HydrophobicContact CB-CE2 4.14Å; P343-F345 HydrophobicContact CB-CZ 4.34Å; P343-F345 HydrophobicContact CG-CE2 4.07Å; P343-F345 VanDerWaalsContact O-CD2 3.32Å; P343-F345 WeakPolarHBondContact O-CD2 3.25Å; P343-F345 PolarHBondContact O-N 2.75Å | ||
| 344 | N | 54.9 | Low | 66.1 | Low | 72 Ų | 72 | 106.4 Ų | 106.4 | 39% | 0.385 | 51% | 0.513 | S | S | . | . | trans | -74.4 | 97.1 | 175 | -108.8 | -36.5 | 0 | 0 | 0 | 107.4 | N337 E342 R346 | N337-N344 PolarHBondContact ND2-ND2 2.91Å; E342-N344 VanDerWaalsContact C-N 3.28Å; E342-N344 PolarHBondContact O-N 2.78Å; N344-R346 HydrophobicContact CB-CG 4.31Å; N344-R346 PolarHBondContact O-N 2.88Å | ||
| 345 | F | 61.2 | Low | 66.8 | Low | 103 Ų | 103 | 101 Ų | 101 | 45% | 0.452 | 49% | 0.491 | S | S | . | . | trans | -67.3 | 49.7 | 168.1 | -63.1 | -77.9 | 0 | 0 | 0 | 111.3 | P292 E294 P343 | P292-F345 VanDerWaalsContact O-CD1 3.25Å; P292-F345 WeakPolarHBondContact O-CD1 3.17Å; E294-F345 HydrophobicContact CG-CE1 4.44Å; E294-F345 HydrophobicContact CG-CZ 4.22Å; P343-F345 HydrophobicContact CB-CE2 4.14Å; P343-F345 HydrophobicContact CB-CZ 4.34Å; P343-F345 HydrophobicContact CG-CE2 4.07Å; P343-F345 VanDerWaalsContact O-CD2 3.32Å; P343-F345 WeakPolarHBondContact O-CD2 3.25Å; P343-F345 PolarHBondContact O-N 2.75Å | ||
| 346 | R | 69 | Low | 67.6 | Low | 153 Ų | 153 | 97.9 Ų | 97.9 | 58% | 0.577 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -69.1 | 130.2 | 176.2 | -76.7 | -171.1 | -178.8 | -171.6 | 0.4 | 108.4 | N344 | N344-R346 HydrophobicContact CB-CG 4.31Å; N344-R346 PolarHBondContact O-N 2.88Å |
| 347 | P | 74.1 | Confident | 68.6 | Low | 52 Ų | 52 | 89.9 Ų | 89.9 | 34% | 0.338 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 141.3 | 178.8 | 28.7 | -34.4 | 0 | 0 | 0 | 110.5 | L289 I290 Y291 | L289-P347 HydrophobicContact CD1-CB 3.69Å; L289-P347 HydrophobicContact CD1-CG 4.35Å; L289-P347 HydrophobicContact CD2-CB 4.05Å; L289-P347 HydrophobicContact CG-CB 3.79Å; I290-P347 CarbonylContact O-C 3.52Å; I290-P347 WeakPolarHBondContact O-CA 3.32Å; Y291-P347 HydrophobicContact CD1-CB 4.01Å; Y291-P347 HydrophobicContact CE1-CB 3.71Å; Y291-P347 HydrophobicContact CE1-CG 4.23Å |
| 348 | V | 75.1 | Confident | 69.9 | Low | 21 Ų | 21 | 87.5 Ų | 87.5 | 13% | 0.127 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 119.7 | 176.6 | -175.5 | 0 | 0 | 0 | 0 | 108.8 | I290 V333 L350 | I290-V348 PolarHBondContact N-O 2.88Å; I290-V348 PolarHBondContact O-N 3.25Å; V333-V348 HydrophobicContact CB-CG1 4.49Å; V333-V348 HydrophobicContact CG1-CG1 4.01Å; V333-V348 HydrophobicContact CG1-CG2 4.15Å; V333-V348 HydrophobicContact CG2-CG1 3.63Å; V333-V348 HydrophobicContact CG2-CG2 4.46Å; V348-L350 HydrophobicContact CG1-CD1 4.31Å; V348-L350 HydrophobicContact CG1-CD2 3.8Å; V348-L350 HydrophobicContact CG1-CG 3.83Å |
| 349 | H | 79.3 | Confident | 71.2 | Confident | 110 Ų | 110 | 77 Ų | 77 | 51% | 0.509 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 124.2 | 171.7 | -65.4 | -97.6 | 0 | 0 | 0 | 109.9 | L289 Y388 | L289-H349 WeakPolarHBondContact CD1-CE1 3.38Å; L289-H349 WeakPolarHBondContact CD1-ND1 3.36Å; H349-Y388 AromaticContact CE1-CD1 3.89Å; H349-Y388 AromaticContact CE1-CE1 3.78Å; H349-Y388 AromaticContact ND1-CD1 3.37Å; H349-Y388 WeakPolarHBondContact ND1-CD1 3.29Å; H349-Y388 AromaticContact ND1-CE1 3.11Å; H349-Y388 WeakPolarHBondContact ND1-CE1 3.38Å; H349-Y388 AromaticContact ND1-CZ 3.78Å |
| 350 | L | 77.5 | Confident | 72.3 | Confident | 16 Ų | 16 | 69 Ų | 69 | 8% | 0.084 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 136.8 | -179.6 | -64 | 171.2 | 0 | 0 | 0 | 110 | P287 L288 I290 V330 P331 V348 | P287-L350 CarbonylContact C-O 3.6Å; P287-L350 WeakPolarHBondContact CA-O 3.35Å; L288-L350 PolarHBondContact N-O 3.08Å; L288-L350 PolarHBondContact O-N 2.82Å; I290-L350 HydrophobicContact CD1-CD1 3.4Å; I290-L350 VanDerWaalsContact CD1-CD1 3.4Å; I290-L350 HydrophobicContact CG1-CD1 3.99Å; V330-L350 HydrophobicContact CB-CD1 4.29Å; V330-L350 HydrophobicContact CG1-CD1 3.83Å; V330-L350 HydrophobicContact CG2-CD1 3.86Å; P331-L350 HydrophobicContact CG-CD2 3.79Å; V348-L350 HydrophobicContact CG1-CD1 4.31Å; V348-L350 HydrophobicContact CG1-CD2 3.8Å; V348-L350 HydrophobicContact CG1-CG 3.83Å |
| 351 | K | 78.5 | Confident | 73 | Confident | 172 Ų | 172 | 69.2 Ų | 69.2 | 75% | 0.748 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 111.8 | 162.9 | -67.9 | -173.9 | 179.1 | -175.4 | 0 | 106.9 | ||
| 352 | T | 78.3 | Confident | 73.9 | Confident | 19 Ų | 19 | 59.3 Ų | 59.3 | 12% | 0.117 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 152.7 | -175.4 | -167.7 | 0 | 0 | 0 | 0 | 110.4 | L286 L288 F328 L329 V354 | L286-T352 PolarHBondContact N-O 2.99Å; L286-T352 PolarHBondContact O-N 3.46Å; L288-T352 HydrophobicContact CD1-CG2 3.62Å; L288-T352 HydrophobicContact CG-CG2 4.27Å; F328-T352 HydrophobicContact CB-CG2 4.21Å; F328-T352 HydrophobicContact CD2-CG2 3.97Å; F328-T352 HydrophobicContact CG-CG2 4.39Å; L329-T352 PolarHBondContact O-OG1 3.35Å; T352-V354 PolarHBondContact O-N 2.81Å |
| 353 | C | 80.4 | Confident | 74.7 | Confident | 73 Ų | 73 | 54 Ų | 54 | 49% | 0.493 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 116.9 | 174.2 | -69.8 | 0 | 0 | 0 | 0 | 109.1 | I284 | I284-C353 WeakPolarHBondContact O-CA 3.25Å |
| 354 | V | 82.4 | Confident | 75.1 | Confident | 5 Ų | 5 | 53.4 Ų | 53.4 | 3% | 0.03 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 120.7 | 171.1 | -177.2 | 0 | 0 | 0 | 0 | 108.3 | A283 I284 L286 L288 I326 F328 T352 F356 | A283-V354 WeakPolarHBondContact CA-O 3.48Å; I284-V354 PolarHBondContact N-O 2.9Å; I284-V354 PolarHBondContact O-N 3.29Å; L286-V354 HydrophobicContact CB-CG2 4.06Å; L286-V354 HydrophobicContact CD1-CB 3.99Å; L286-V354 HydrophobicContact CD1-CG2 3.82Å; L286-V354 HydrophobicContact CG-CG2 4.32Å; L288-V354 HydrophobicContact CD1-CG2 4.1Å; I326-V354 HydrophobicContact CG2-CG1 3.45Å; I326-V354 VanDerWaalsContact CG2-CG1 3.45Å; F328-V354 HydrophobicContact CB-CB 4.44Å; F328-V354 HydrophobicContact CB-CG2 3.98Å; F328-V354 HydrophobicContact CD1-CG2 4.32Å; F328-V354 HydrophobicContact CG-CG2 4.28Å; T352-V354 PolarHBondContact O-N 2.81Å; V354-F356 HydrophobicContact CB-CE2 4.06Å; V354-F356 HydrophobicContact CG1-CD2 4.29Å; V354-F356 HydrophobicContact CG1-CE2 3.6Å; V354-F356 HydrophobicContact CG1-CZ 3.84Å |
| 355 | T | 84.3 | Confident | 75.1 | Confident | 41 Ų | 41 | 54 Ų | 54 | 25% | 0.252 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 125 | -179.1 | -54 | 0 | 0 | 0 | 0 | 109.6 | H282 I326 S327 T357 | H282-T355 CarbonylContact O-C 3.56Å; H282-T355 WeakPolarHBondContact O-CA 3.49Å; I326-T355 CarbonylContact C-O 3.58Å; I326-T355 WeakPolarHBondContact CA-O 3.42Å; S327-T355 PolarHBondContact N-O 2.95Å; S327-T355 PolarHBondContact O-N 2.77Å; T355-T357 HydrophobicContact CG2-CG2 4.22Å |
| 356 | F | 84 | Confident | 74.8 | Confident | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.018 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 128.7 | 173.9 | -62.9 | -100.1 | 0 | 0 | 0 | 108.5 | L237 L241 S281 H282 I284 I326 V354 F363 | L237-F356 HydrophobicContact CD1-CE1 4.3Å; L241-F356 HydrophobicContact CD1-CE1 4.07Å; L241-F356 HydrophobicContact CD1-CZ 3.8Å; L241-F356 HydrophobicContact CD2-CE1 4.03Å; L241-F356 HydrophobicContact CD2-CZ 4.27Å; S281-F356 CarbonylContact C-O 3.57Å; S281-F356 VanDerWaalsContact CA-O 3.28Å; S281-F356 WeakPolarHBondContact CA-O 3.42Å; H282-F356 PolarHBondContact N-O 2.99Å; H282-F356 PolarHBondContact O-N 3.26Å; I284-F356 HydrophobicContact CD1-CD2 3.68Å; I284-F356 HydrophobicContact CD1-CE2 3.53Å; I284-F356 HydrophobicContact CD1-CZ 4.45Å; I326-F356 HydrophobicContact CD1-CE1 4.38Å; I326-F356 HydrophobicContact CG1-CD1 3.8Å; I326-F356 HydrophobicContact CG1-CE1 3.84Å; I326-F356 HydrophobicContact CG2-CE1 4.47Å; V354-F356 HydrophobicContact CB-CE2 4.06Å; V354-F356 HydrophobicContact CG1-CD2 4.29Å; V354-F356 HydrophobicContact CG1-CE2 3.6Å; V354-F356 HydrophobicContact CG1-CZ 3.84Å; F356-F363 HydrophobicContact CB-CE2 3.85Å; F356-F363 HydrophobicContact CB-CZ 4.25Å |
| 357 | T | 83.5 | Confident | 73 | Confident | 11 Ų | 11 | 54.3 Ų | 54.3 | 7% | 0.067 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 123.9 | 176.7 | 55.3 | 0 | 0 | 0 | 0 | 109.3 | L267 I280 L324 N325 T355 | L267-T357 HydrophobicContact CD1-CG2 4.2Å; I280-T357 WeakPolarHBondContact O-CA 3.42Å; L324-T357 WeakPolarHBondContact CA-O 3.24Å; N325-T357 WeakPolarHBondContact CB-OG1 3.11Å; N325-T357 PolarHBondContact N-O 3.35Å; N325-T357 PolarHBondContact O-N 3.45Å; N325-T357 PolarHBondContact O-OG1 3.42Å; T355-T357 HydrophobicContact CG2-CG2 4.22Å |
| 358 | A | 83.4 | Confident | 71 | Confident | 5 Ų | 5 | 56.8 Ų | 56.8 | 4% | 0.041 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 172.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | I279 I280 L324 I362 F363 | I279-A358 WeakPolarHBondContact CA-O 3.37Å; I280-A358 PolarHBondContact N-O 3.2Å; I280-A358 PolarHBondContact O-N 3.15Å; I280-A358 VanDerWaalsContact O-N 3.09Å; L324-A358 HydrophobicContact CB-CB 4.06Å; L324-A358 HydrophobicContact CD2-CB 3.97Å; L324-A358 HydrophobicContact CG-CB 4.07Å; A358-I362 HydrophobicContact CB-CB 4.22Å; A358-I362 HydrophobicContact CB-CD1 4.18Å; A358-F363 HydrophobicContact CB-CD2 3.61Å; A358-F363 HydrophobicContact CB-CE2 3.84Å |
| 359 | T | 80.2 | Confident | 68.7 | Low | 20 Ų | 20 | 62.3 Ų | 62.3 | 12% | 0.123 | 35% | 0.351 | C | S | . | . | trans | -70.7 | 158.1 | 174 | 78.4 | 0 | 0 | 0 | 0 | 111.5 | N277 Q322 A361 I362 F363 | N277-T359 HydrophobicContact CB-CG2 4.44Å; Q322-T359 VanDerWaalsContact CD-OG1 3.28Å; Q322-T359 PolarHBondContact NE2-OG1 3.41Å; Q322-T359 PolarHBondContact OE1-OG1 3.43Å; T359-A361 PolarHBondContact O-N 2.67Å; T359-A361 PolarHBondContact OG1-N 3.41Å; T359-I362 PolarHBondContact O-N 3.26Å; T359-F363 PolarHBondContact O-N 2.98Å | ||
| 360 | P | 75.7 | Confident | 66 | Low | 45 Ų | 45 | 65.1 Ų | 65.1 | 29% | 0.292 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -16.2 | 175.5 | 22.4 | -33.8 | 0 | 0 | 0 | 114.4 | M278 I280 I362 F363 P364 | M278-P360 HydrophobicContact CB-CG 4.29Å; M278-P360 WeakPolarHBondContact O-CD 3.23Å; I280-P360 HydrophobicContact CD1-CB 3.7Å; I280-P360 HydrophobicContact CG1-CB 4.36Å; P360-I362 VanDerWaalsContact C-N 3.27Å; P360-I362 PolarHBondContact O-N 3.02Å; P360-F363 VanDerWaalsContact CA-O 3.3Å; P360-F363 WeakPolarHBondContact CA-O 3.3Å; P360-F363 CarbonylContact O-C 3.52Å; P360-P364 WeakPolarHBondContact O-CA 3.46Å |
| 361 | A | 70.8 | Confident | 63.7 | Low | 55 Ų | 55 | 68.1 Ų | 68.1 | 46% | 0.455 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -23.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | L319 T359 | L319-A361 HydrophobicContact CD2-CB 3.77Å; T359-A361 PolarHBondContact O-N 2.67Å; T359-A361 PolarHBondContact OG1-N 3.41Å |
| 362 | I | 71.8 | Confident | 61.2 | Low | 15 Ų | 15 | 64.8 Ų | 64.8 | 8% | 0.077 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -49.6 | 177.1 | -57.3 | 179.7 | 0 | 0 | 0 | 110.8 | I313 I315 Q322 L324 A358 T359 P360 P364 | I313-I362 HydrophobicContact CD1-CG2 3.63Å; I315-I362 HydrophobicContact CD1-CB 4.27Å; I315-I362 HydrophobicContact CD1-CG1 4.31Å; I315-I362 HydrophobicContact CD1-CG2 3.57Å; Q322-I362 HydrophobicContact CB-CD1 3.72Å; Q322-I362 HydrophobicContact CB-CG1 4.38Å; Q322-I362 HydrophobicContact CG-CD1 3.73Å; Q322-I362 HydrophobicContact CG-CG1 4.36Å; L324-I362 HydrophobicContact CD1-CD1 4.23Å; L324-I362 HydrophobicContact CD2-CB 4.37Å; L324-I362 HydrophobicContact CD2-CD1 3.83Å; L324-I362 HydrophobicContact CD2-CG2 3.43Å; L324-I362 VanDerWaalsContact CD2-CG2 3.43Å; L324-I362 HydrophobicContact CG-CD1 3.69Å; L324-I362 HydrophobicContact CG-CG2 4.43Å; A358-I362 HydrophobicContact CB-CB 4.22Å; A358-I362 HydrophobicContact CB-CD1 4.18Å; T359-I362 PolarHBondContact O-N 3.26Å; P360-I362 VanDerWaalsContact C-N 3.27Å; P360-I362 PolarHBondContact O-N 3.02Å; I362-P364 WeakPolarHBondContact O-CD 3.22Å |
| 363 | F | 70.4 | Confident | 58.7 | Low | 46 Ų | 46 | 73.7 Ų | 73.7 | 20% | 0.202 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -110.5 | 95.3 | 174.3 | -64.6 | -50.5 | 0 | 0 | 0 | 108.4 | I280 H282 L324 F356 A358 T359 P360 | I280-F363 WeakPolarHBondContact CD1-O 3.39Å; H282-F363 AromaticContact CD2-CG 3.87Å; L324-F363 HydrophobicContact CD2-CE2 3.83Å; L324-F363 HydrophobicContact CD2-CZ 3.92Å; F356-F363 HydrophobicContact CB-CE2 3.85Å; F356-F363 HydrophobicContact CB-CZ 4.25Å; A358-F363 HydrophobicContact CB-CD2 3.61Å; A358-F363 HydrophobicContact CB-CE2 3.84Å; T359-F363 PolarHBondContact O-N 2.98Å; P360-F363 VanDerWaalsContact CA-O 3.3Å; P360-F363 WeakPolarHBondContact CA-O 3.3Å; P360-F363 CarbonylContact O-C 3.52Å |
| 364 | P | 62.2 | Low | 56.2 | Low | 84 Ų | 84 | 77.7 Ų | 77.7 | 55% | 0.545 | 43% | 0.429 | S | S | . | . | trans | -57.4 | 145.3 | 173.5 | 23.9 | -31.7 | 0 | 0 | 0 | 108.9 | P360 I362 I366 | P360-P364 WeakPolarHBondContact O-CA 3.46Å; I362-P364 WeakPolarHBondContact O-CD 3.22Å; P364-I366 PolarHBondContact O-N 3.17Å | ||
| 365 | P | 55.9 | Low | 53.5 | Low | 85 Ų | 85 | 88.5 Ų | 88.5 | 55% | 0.552 | 47% | 0.469 | S | S | * | . | trans | -57.9 | 106.6 | 172.8 | 24 | -30.7 | 0 | 0 | 0 | 107.1 | I280 L367 | I280-P365 HydrophobicContact CD1-CB 3.74Å; I280-P365 HydrophobicContact CD1-CG 4.11Å; P365-L367 PolarHBondContact O-N 3.01Å | ||
| 366 | I | 54.4 | Low | 50.6 | Low | 112 Ų | 112 | 94.3 Ų | 94.3 | 57% | 0.574 | 50% | 0.498 | S | S | * | . | trans | -63.7 | 109.7 | 171.8 | -53.8 | 171.5 | 0 | 0 | 0 | 103.7 | P364 C368 | P364-I366 PolarHBondContact O-N 3.17Å; I366-C368 PolarHBondContact O-N 3.01Å | ||
| 367 | L | 31.2 | Very low | 47.9 | Very low | 150 Ų | 150 | 99.4 Ų | 99.4 | 79% | 0.785 | 53% | 0.53 | S | S | * | . | trans | -62.4 | 87.5 | 158.7 | -130.8 | 119.8 | 0 | 0 | 0 | 103.5 | P365 I369 | P365-L367 PolarHBondContact O-N 3.01Å; L367-I369 HydrophobicContact CD2-CG1 4.18Å; L367-I369 PolarHBondContact O-N 2.83Å | ||
| 368 | C | 32.2 | Very low | 45.1 | Very low | 104 Ų | 104 | 105.7 Ų | 105.7 | 70% | 0.703 | 56% | 0.563 | S | S | * | * | trans | -63.3 | 78 | 161.4 | -76.5 | 0 | 0 | 0 | 0 | 104.8 | I366 M370 | I366-C368 PolarHBondContact O-N 3.01Å; C368-M370 VanDerWaalsContact C-N 3.28Å; C368-M370 PolarHBondContact O-N 2.95Å | ||
| 369 | I | 26.9 | Very low | 42.4 | Very low | 137 Ų | 137 | 111.9 Ų | 111.9 | 70% | 0.703 | 59% | 0.591 | S | S | * | * | trans | -45.8 | 113 | 145.2 | -60.9 | 170.2 | 0 | 0 | 0 | 101.9 | L367 S371 | L367-I369 HydrophobicContact CD2-CG1 4.18Å; L367-I369 PolarHBondContact O-N 2.83Å; I369-S371 PolarHBondContact O-N 3.19Å | ||
| 370 | M | 22.9 | Very low | 40.2 | Very low | 168 Ų | 168 | 116.2 Ų | 116.2 | 83% | 0.828 | 62% | 0.619 | S | S | * | * | trans | -50.5 | 86.1 | -175.8 | -70.3 | 177.3 | 59.9 | 0 | 0 | 109.5 | C368 S372 | C368-M370 VanDerWaalsContact C-N 3.28Å; C368-M370 PolarHBondContact O-N 2.95Å; M370-S372 PolarHBondContact O-N 3.45Å | ||
| 371 | S | 27.9 | Very low | 37.7 | Very low | 80 Ų | 80 | 124.2 Ų | 124.2 | 56% | 0.559 | 64% | 0.644 | S | S | * | * | trans | -86.1 | 73.5 | 170.1 | -168.7 | 0 | 0 | 0 | 0 | 104.9 | I369 Y373 | I369-S371 PolarHBondContact O-N 3.19Å; S371-Y373 PolarHBondContact O-N 3.28Å | ||
| 372 | S | 26.7 | Very low | 35.5 | Very low | 101 Ų | 101 | 128.5 Ų | 128.5 | 71% | 0.706 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | 23.2 | 167.7 | -160.7 | 0 | 0 | 0 | 0 | 111.6 | M370 | M370-S372 PolarHBondContact O-N 3.45Š|
| 373 | Y | 26.3 | Very low | 33.2 | Very low | 206 Ų | 206 | 137.8 Ų | 137.8 | 81% | 0.808 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.4 | 18.6 | -172.7 | -67.3 | -72.5 | 0 | 0 | 0 | 113.3 | S371 W375 | S371-Y373 PolarHBondContact O-N 3.28Å; Y373-W375 VanDerWaalsContact C-N 3.34Å |
| 374 | F | 27.3 | Very low | 31 | Very low | 158 Ų | 158 | 144 Ų | 144 | 69% | 0.693 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -90.7 | 10 | 173.1 | -137.1 | -95.1 | 0 | 0 | 0 | 114.7 | P224 | P224-F374 HydrophobicContact CG-CE2 4.42Š|
| 375 | W | 25 | Very low | 29.1 | Very low | 231 Ų | 231 | 146.9 Ų | 146.9 | 88% | 0.875 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -131.8 | 135.1 | 169.5 | -71.6 | 94.2 | 0 | 0 | 0 | 108.9 | Y373 | Y373-W375 VanDerWaalsContact C-N 3.34Š|
| 376 | L | 24.6 | Very low | 27.6 | Very low | 163 Ų | 163 | 150.9 Ų | 150.9 | 85% | 0.853 | 73% | 0.732 | S | S | * | * | trans | 93.1 | 75.1 | -179.1 | -59.3 | 148.5 | 0 | 0 | 0 | 116 | ||||
| 377 | V | 26.3 | Very low | 26.2 | Very low | 112 Ų | 112 | 151.7 Ų | 151.7 | 68% | 0.679 | 73% | 0.732 | S | S | * | * | trans | -141.8 | 115.2 | 130.6 | -175.5 | 0 | 0 | 0 | 0 | 109 | H379 | V377-H379 PolarHBondContact O-N 3.42Š| ||
| 378 | D | 25 | Very low | 26 | Very low | 143 Ų | 143 | 149.4 Ų | 149.4 | 77% | 0.765 | 71% | 0.713 | S | S | * | * | trans | -49.2 | 118.8 | 170 | -65.1 | -65.1 | 0 | 0 | 0 | 112.6 | ||||
| 379 | H | 26.2 | Very low | 26.3 | Very low | 135 Ų | 135 | 147.5 Ų | 147.5 | 63% | 0.625 | 69% | 0.692 | S | S | * | * | trans | -135.5 | 103 | 153.1 | -99.2 | -72.4 | 0 | 0 | 0 | 108.9 | V377 W381 | V377-H379 PolarHBondContact O-N 3.42Å; H379-W381 PolarHBondContact O-N 2.85Å | ||
| 380 | P | 34.1 | Very low | 26.6 | Very low | 111 Ų | 111 | 147.7 Ų | 147.7 | 72% | 0.721 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | 31.4 | -169.3 | 31.6 | -35.5 | 0 | 0 | 0 | 114.7 | ||
| 381 | W | 23.8 | Very low | 27.1 | Very low | 213 Ų | 213 | 140 Ų | 140 | 81% | 0.807 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.3 | 1.9 | -176.9 | -77.1 | 99.8 | 0 | 0 | 0 | 116.4 | H379 | H379-W381 PolarHBondContact O-N 2.85Š|
| 382 | L | 24.2 | Very low | 27.1 | Very low | 145 Ų | 145 | 145 Ų | 145 | 76% | 0.759 | 65% | 0.654 | S | S | * | * | trans | -103.9 | 93.8 | 167.8 | -78.6 | 157 | 0 | 0 | 0 | 108.2 | F384 | L382-F384 PolarHBondContact O-N 3.2Š| ||
| 383 | Y | 23.7 | Very low | 27.3 | Very low | 210 Ų | 210 | 141 Ų | 141 | 82% | 0.824 | 62% | 0.624 | S | S | * | * | trans | -51.6 | 97.6 | 158 | -81.2 | -97 | 0 | 0 | 0 | 106.9 | H385 | Y383-H385 PolarHBondContact O-N 2.79Š| ||
| 384 | F | 23.5 | Very low | 27.5 | Very low | 176 Ų | 176 | 138 Ų | 138 | 77% | 0.772 | 62% | 0.622 | S | S | * | * | trans | -59.4 | 97.4 | 159.6 | -87.4 | -91.9 | 0 | 0 | 0 | 104.9 | L382 Y386 | L382-F384 PolarHBondContact O-N 3.2Å; F384-Y386 WeakPolarHBondContact O-CD2 3.4Å; F384-Y386 PolarHBondContact O-N 2.94Å | ||
| 385 | H | 21.9 | Very low | 27.5 | Very low | 145 Ų | 145 | 137 Ų | 137 | 67% | 0.671 | 62% | 0.619 | S | S | * | * | trans | -53.3 | 105 | 155.5 | -118 | -115.3 | 0 | 0 | 0 | 104.2 | Y383 F387 | Y383-H385 PolarHBondContact O-N 2.79Å; H385-F387 HydrophobicContact CB-CD2 4.05Å; H385-F387 HydrophobicContact CB-CE2 3.78Å; H385-F387 HydrophobicContact CB-CZ 4.37Å; H385-F387 WeakPolarHBondContact O-CD2 3.41Å; H385-F387 PolarHBondContact O-N 3.22Å | ||
| 386 | Y | 24.7 | Very low | 27.7 | Very low | 169 Ų | 169 | 132 Ų | 132 | 66% | 0.663 | 61% | 0.605 | S | S | * | * | trans | -60.9 | 89.5 | 167.6 | -73.8 | -90.8 | 0 | 0 | 0 | 105.5 | F384 Y388 | F384-Y386 WeakPolarHBondContact O-CD2 3.4Å; F384-Y386 PolarHBondContact O-N 2.94Å; Y386-Y388 VanDerWaalsContact C-N 3.33Å; Y386-Y388 WeakPolarHBondContact O-CD2 3.45Å; Y386-Y388 PolarHBondContact O-N 3.4Å | ||
| 387 | F | 25.7 | Very low | 27.8 | Very low | 129 Ų | 129 | 130.3 Ų | 130.3 | 57% | 0.566 | 59% | 0.591 | S | S | * | * | trans | -68.5 | 101.2 | 167.8 | -77.7 | -82.7 | 0 | 0 | 0 | 105.6 | H385 Y389 | H385-F387 HydrophobicContact CB-CD2 4.05Å; H385-F387 HydrophobicContact CB-CE2 3.78Å; H385-F387 HydrophobicContact CB-CZ 4.37Å; H385-F387 WeakPolarHBondContact O-CD2 3.41Å; H385-F387 PolarHBondContact O-N 3.22Å; F387-Y389 HydrophobicContact CB-CD2 4.39Å; F387-Y389 HydrophobicContact CB-CE1 4.19Å; F387-Y389 HydrophobicContact CB-CE2 3.6Å; F387-Y389 VanDerWaalsContact CB-CZ 3.48Å; F387-Y389 WeakPolarHBondContact CB-OH 3.5Å; F387-Y389 VanDerWaalsContact O-CD2 3.25Å; F387-Y389 WeakPolarHBondContact O-CD2 3.29Å; F387-Y389 VanDerWaalsContact O-CE2 3.25Å; F387-Y389 WeakPolarHBondContact O-CE2 3.37Å | ||
| 388 | Y | 26.1 | Very low | 27.9 | Very low | 102 Ų | 102 | 131.4 Ų | 131.4 | 40% | 0.4 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -75.5 | 121.1 | 163.9 | -69.9 | -82.8 | 0 | 0 | 0 | 106.7 | H349 Y386 | H349-Y388 AromaticContact CE1-CD1 3.89Å; H349-Y388 AromaticContact CE1-CE1 3.78Å; H349-Y388 AromaticContact ND1-CD1 3.37Å; H349-Y388 WeakPolarHBondContact ND1-CD1 3.29Å; H349-Y388 AromaticContact ND1-CE1 3.11Å; H349-Y388 WeakPolarHBondContact ND1-CE1 3.38Å; H349-Y388 AromaticContact ND1-CZ 3.78Å; Y386-Y388 VanDerWaalsContact C-N 3.33Å; Y386-Y388 WeakPolarHBondContact O-CD2 3.45Å; Y386-Y388 PolarHBondContact O-N 3.4Å |
| 389 | Y | 39.6 | Very low | 28.1 | Very low | 64 Ų | 64 | 130.6 Ų | 130.6 | 25% | 0.251 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.8 | 135.1 | 178.9 | -63.5 | -85 | 0 | 0 | 0 | 110 | L238 L289 F387 | L238-Y389 HydrophobicContact CB-CD1 4.27Å; L238-Y389 HydrophobicContact CB-CE1 3.96Å; L238-Y389 HydrophobicContact CD1-CE1 4.05Å; L238-Y389 HydrophobicContact CD1-CE2 4.16Å; L238-Y389 HydrophobicContact CG-CE1 4.47Å; L289-Y389 PolarHBondContact N-O 2.99Å; F387-Y389 HydrophobicContact CB-CD2 4.39Å; F387-Y389 HydrophobicContact CB-CE1 4.19Å; F387-Y389 HydrophobicContact CB-CE2 3.6Å; F387-Y389 VanDerWaalsContact CB-CZ 3.48Å; F387-Y389 WeakPolarHBondContact CB-OH 3.5Å; F387-Y389 VanDerWaalsContact O-CD2 3.25Å; F387-Y389 WeakPolarHBondContact O-CD2 3.29Å; F387-Y389 VanDerWaalsContact O-CE2 3.25Å; F387-Y389 WeakPolarHBondContact O-CE2 3.37Å |
| 390 | Y | 33.1 | Very low | 28.2 | Very low | 140 Ų | 140 | 130.3 Ų | 130.3 | 55% | 0.549 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.6 | 120.7 | -173.7 | -56.9 | -72.8 | 0 | 0 | 0 | 110.1 | L289 Y291 | L289-Y390 HydrophobicContact CD2-CD1 3.77Å; L289-Y390 HydrophobicContact CD2-CE1 3.63Å; Y291-Y390 AromaticContact CE2-CD1 3.68Å; Y291-Y390 HydrophobicContact CE2-CD1 3.68Å; Y291-Y390 HydrophobicContact CE2-CE1 4.29Å; Y291-Y390 WeakPolarHBondContact OH-CE1 3.25Å |
| 391 | V | 32.6 | Very low | 27.8 | Very low | 8 Ų | 8 | 131.7 Ų | 131.7 | 5% | 0.048 | 56% | 0.561 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.2 | 109.5 | 165.7 | 179.9 | 0 | 0 | 0 | 0 | 106.7 | F246 L288 L289 L393 | F246-V391 HydrophobicContact CD2-CG1 3.66Å; F246-V391 HydrophobicContact CE2-CG1 3.62Å; F246-V391 HydrophobicContact CE2-CG2 4.48Å; L288-V391 HydrophobicContact CD2-CG2 4.37Å; L289-V391 PolarHBondContact O-N 2.81Å; V391-L393 HydrophobicContact CG1-CD2 4.12Å |
| 392 | R | 28.8 | Very low | 28.1 | Very low | 183 Ų | 183 | 125.5 Ų | 125.5 | 69% | 0.691 | 54% | 0.542 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 121.7 | 169.2 | 178 | 172.8 | -100.8 | -177.6 | -7.6 | 107.2 | D394 | R392-D394 VanDerWaalsContact CD-OD1 3.29Å; R392-D394 WeakPolarHBondContact CD-OD1 3.32Å; R392-D394 WeakPolarHBondContact CG-OD1 3.25Å |
| 393 | L | 29.7 | Very low | 28.4 | Very low | 18 Ų | 18 | 123.8 Ų | 123.8 | 9% | 0.094 | 52% | 0.524 | C | S | . | . | trans | -89.8 | 106 | 166.9 | -58.4 | 179.5 | 0 | 0 | 0 | 105.7 | I290 F296 L304 V391 | I290-L393 HydrophobicContact CG2-CD1 3.4Å; I290-L393 VanDerWaalsContact CG2-CD1 3.4Å; I290-L393 HydrophobicContact CG2-CG 3.89Å; F296-L393 HydrophobicContact CD2-CD1 4.48Å; L304-L393 HydrophobicContact CD2-CD1 4.46Å; L304-L393 HydrophobicContact CD2-CD2 3.25Å; L304-L393 HydrophobicContact CD2-CG 4.48Å; V391-L393 HydrophobicContact CG1-CD2 4.12Å | ||
| 394 | D | 32 | Very low | 28.9 | Very low | 142 Ų | 142 | 116 Ų | 116 | 76% | 0.759 | 50% | 0.497 | S | S | * | . | trans | -86 | 0 | 167.9 | -75.2 | -28.7 | 0 | 0 | 0 | 109.5 | N293 R392 | N293-D394 PolarHBondContact ND2-OXT 3.48Å; R392-D394 VanDerWaalsContact CD-OD1 3.29Å; R392-D394 WeakPolarHBondContact CD-OD1 3.32Å; R392-D394 WeakPolarHBondContact CG-OD1 3.25Å |
Retrieved 394 of 394 residues in 96.7 ms
(Link to these results)