| 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 | 37.5 | Very low | 48.7 | Very low | 251 Ų | 251 | 134.3 Ų | 134.3 | 100% | 1.236 | 75% | 0.745 | S | S | * | * | 0 | 96.2 | 0 | -70.2 | -167.7 | 176.5 | 0 | 0 | 107.9 | |||||
| 2 | A | 47.3 | Very low | 48.2 | Very low | 97 Ų | 97 | 133.3 Ų | 133.3 | 80% | 0.802 | 74% | 0.744 | S | S | * | * | trans | -133.1 | 120.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 105.5 | L4 | A2-L4 PolarHBondContact O-N 2.93Š| ||
| 3 | N | 44.2 | Very low | 47.3 | Very low | 141 Ų | 141 | 138.8 Ų | 138.8 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | trans | -66.2 | 128.6 | -166.3 | -74.9 | -51.2 | 0 | 0 | 0 | 111.4 | S5 | N3-S5 PolarHBondContact O-N 3.2Š| ||
| 4 | L | 53.8 | Low | 46.6 | Very low | 146 Ų | 146 | 144.5 Ų | 144.5 | 76% | 0.764 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 1.3 | 179.9 | -102.3 | 141.6 | 0 | 0 | 0 | 114.1 | A2 | A2-L4 PolarHBondContact O-N 2.93Š|
| 5 | S | 57 | Low | 45.8 | Very low | 73 Ų | 73 | 143.1 Ų | 143.1 | 51% | 0.51 | 76% | 0.76 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.5 | -27 | -176.3 | 49.4 | 0 | 0 | 0 | 0 | 113.9 | N3 | N3-S5 PolarHBondContact O-N 3.2Š|
| 6 | D | 54 | Low | 45.2 | Very low | 123 Ų | 123 | 141.7 Ų | 141.7 | 66% | 0.658 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -87.3 | -19.2 | -171.3 | -65 | -16 | 0 | 0 | 0 | 113.3 | L8 | D6-L8 VanDerWaalsContact C-N 3.33Å; D6-L8 PolarHBondContact O-N 2.94Å |
| 7 | L | 51.8 | Low | 44.7 | Very low | 139 Ų | 139 | 140.9 Ų | 140.9 | 73% | 0.728 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -80.1 | -9.5 | 178.7 | -88.1 | 155.3 | 0 | 0 | 0 | 114.1 | ||
| 8 | L | 47.4 | Very low | 44.3 | Very low | 132 Ų | 132 | 143.3 Ų | 143.3 | 69% | 0.691 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -87.9 | -8.2 | -179 | -71.3 | 176.8 | 0 | 0 | 0 | 114.1 | D6 | D6-L8 VanDerWaalsContact C-N 3.33Å; D6-L8 PolarHBondContact O-N 2.94Å |
| 9 | L | 51.1 | Low | 44 | Very low | 137 Ų | 137 | 142.5 Ų | 142.5 | 72% | 0.717 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -93.9 | -12 | 179.8 | -104.2 | 137.5 | 0 | 0 | 0 | 113.9 | ||
| 10 | E | 48.6 | Very low | 43.5 | Very low | 143 Ų | 143 | 141.8 Ų | 141.8 | 67% | 0.668 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -88.8 | -18.8 | -175.5 | -136.8 | 85.7 | -158.1 | 0 | 0 | 113.8 | ||
| 11 | S | 42.5 | Very low | 43.2 | Very low | 95 Ų | 95 | 139.9 Ų | 139.9 | 66% | 0.664 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -2.3 | -172.2 | 55.9 | 0 | 0 | 0 | 0 | 115.1 | R13 | S11-R13 VanDerWaalsContact C-N 3.25Å; S11-R13 PolarHBondContact O-N 2.89Å |
| 12 | V | 42.7 | Very low | 43 | Very low | 122 Ų | 122 | 140 Ų | 140 | 74% | 0.739 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | 6 | -177.9 | -171.1 | 0 | 0 | 0 | 0 | 112.8 | ||
| 13 | R | 37 | Very low | 42.3 | Very low | 205 Ų | 205 | 138.6 Ų | 138.6 | 77% | 0.774 | 76% | 0.76 | S | S | * | * | trans | -107.1 | 31.4 | -169.4 | -62.1 | -162.8 | -158.8 | -166.6 | 10 | 116.6 | S11 | S11-R13 VanDerWaalsContact C-N 3.25Å; S11-R13 PolarHBondContact O-N 2.89Å | ||
| 14 | Y | 37.2 | Very low | 41.7 | Very low | 219 Ų | 219 | 142.3 Ų | 142.3 | 86% | 0.859 | 77% | 0.77 | S | S | * | * | trans | -137.8 | 79.2 | 177.3 | -130 | -93.3 | 0 | 0 | 0 | 113.1 | ||||
| 15 | C | 35.4 | Very low | 41 | Very low | 123 Ų | 123 | 139.6 Ų | 139.6 | 83% | 0.831 | 77% | 0.769 | S | S | * | * | trans | 175.5 | 100 | 146.7 | -94.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 16 | P | 35.5 | Very low | 40.3 | Very low | 121 Ų | 121 | 143 Ų | 143 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | trans | -110.7 | 81.5 | 171.1 | 36.2 | -22.3 | 0 | 0 | 0 | 110.1 | ||||
| 17 | T | 36.8 | Very low | 39.3 | Very low | 129 Ų | 129 | 147.9 Ų | 147.9 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | -174.1 | 86.3 | 157.7 | 42.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 18 | L | 38 | Very low | 38.7 | Very low | 184 Ų | 184 | 144.6 Ų | 144.6 | 96% | 0.963 | 79% | 0.787 | S | S | * | * | trans | -163.9 | 86.2 | 151.1 | -105.6 | 144.5 | 0 | 0 | 0 | 108.2 | ||||
| 19 | T | 38.5 | Very low | 38.6 | Very low | 127 Ų | 127 | 146 Ų | 146 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | trans | -77.6 | 125.9 | 175.7 | -56.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 20 | T | 32.7 | Very low | 38.1 | Very low | 128 Ų | 128 | 142.4 Ų | 142.4 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | 61.9 | 90 | 148.5 | -50.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 21 | A | 38.6 | Very low | 38 | Very low | 103 Ų | 103 | 141.7 Ų | 141.7 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | trans | -155.9 | 135.1 | 135.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 22 | R | 33.5 | Very low | 38.2 | Very low | 254 Ų | 254 | 141.2 Ų | 141.2 | 96% | 0.958 | 79% | 0.791 | S | S | * | * | trans | -63 | 144.1 | -175.1 | -69.1 | 168.7 | 160.7 | 165.4 | -6.5 | 112.5 | ||||
| 23 | G | 32.5 | Very low | 38.4 | Very low | 66 Ų | 66 | 141 Ų | 141 | 68% | 0.68 | 78% | 0.783 | S | S | * | * | trans | 106.5 | 123.6 | 149.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 24 | F | 30.9 | Very low | 39 | Very low | 219 Ų | 219 | 137 Ų | 137 | 96% | 0.961 | 78% | 0.775 | S | S | * | * | trans | 46.9 | 101.8 | 154.4 | -77.7 | -95.3 | 0 | 0 | 0 | 118.3 | ||||
| 25 | A | 39 | Very low | 39.4 | Very low | 90 Ų | 90 | 131.5 Ų | 131.5 | 74% | 0.744 | 76% | 0.764 | S | S | * | * | trans | -172.6 | 106.4 | 131.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 26 | I | 42.4 | Very low | 39.9 | Very low | 145 Ų | 145 | 133 Ų | 133 | 74% | 0.744 | 76% | 0.757 | S | S | * | * | 51.1 | 86.1 | 128.8 | -50.3 | 168.8 | 0 | 0 | 0 | 115.8 | A28 | I26-A28 VanDerWaalsContact C-N 3.28Å; I26-A28 HydrophobicContact CG2-CB 3.48Å; I26-A28 VanDerWaalsContact CG2-CB 3.48Å; I26-A28 PolarHBondContact O-N 2.64Å | |||
| 27 | K | 32.9 | Very low | 40.3 | Very low | 225 Ų | 225 | 135.9 Ų | 135.9 | 98% | 0.978 | 75% | 0.752 | S | S | * | * | trans | -64.5 | 86.2 | 147.6 | -85.8 | 177.6 | 168.5 | 178.1 | 0 | 108.6 | ||||
| 28 | A | 38.5 | Very low | 40.9 | Very low | 69 Ų | 69 | 136.6 Ų | 136.6 | 57% | 0.57 | 75% | 0.75 | S | S | * | * | trans | -158.2 | 53 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | I26 | I26-A28 VanDerWaalsContact C-N 3.28Å; I26-A28 HydrophobicContact CG2-CB 3.48Å; I26-A28 VanDerWaalsContact CG2-CB 3.48Å; I26-A28 PolarHBondContact O-N 2.64Å | ||
| 29 | I | 45.3 | Very low | 41.5 | Very low | 161 Ų | 161 | 134.8 Ų | 134.8 | 83% | 0.826 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -145.5 | 90.5 | 156.3 | -68 | 103.5 | 0 | 0 | 0 | 106.6 | ||
| 30 | A | 42.4 | Very low | 41.6 | Very low | 63 Ų | 63 | 133 Ų | 133 | 52% | 0.521 | 73% | 0.733 | S | S | . | * | S | Bend | trans | -161.2 | -21.6 | 170 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 31 | V | 46.4 | Very low | 42.4 | Very low | 127 Ų | 127 | 133.4 Ų | 133.4 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -85.6 | -20 | -174.9 | -172.5 | 0 | 0 | 0 | 0 | 112.7 | ||
| 32 | A | 45.1 | Very low | 42.7 | Very low | 86 Ų | 86 | 132.1 Ų | 132.1 | 71% | 0.711 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -81.6 | -21.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 33 | E | 47.9 | Very low | 43.2 | Very low | 118 Ų | 118 | 123.9 Ų | 123.9 | 55% | 0.551 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -78.7 | -19.7 | -177.2 | -80.5 | -169.1 | 130.9 | 0 | 0 | 114 | ||
| 34 | I | 48.9 | Very low | 43.9 | Very low | 121 Ų | 121 | 129 Ų | 129 | 62% | 0.621 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -85 | -27.1 | -174.5 | -62.7 | 167.4 | 0 | 0 | 0 | 111.1 | ||
| 35 | T | 46.7 | Very low | 44.8 | Very low | 102 Ų | 102 | 121.6 Ų | 121.6 | 63% | 0.626 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -81.4 | -26.4 | -178.9 | -26.9 | 0 | 0 | 0 | 0 | 112.8 | ||
| 36 | F | 44.7 | Very low | 45.6 | Very low | 154 Ų | 154 | 121.3 Ų | 121.3 | 68% | 0.675 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -76.9 | -24.6 | -179.3 | -147.9 | -97 | 0 | 0 | 0 | 113.1 | L38 | F36-L38 VanDerWaalsContact C-N 3.26Å; F36-L38 PolarHBondContact O-N 3.49Å |
| 37 | R | 44.4 | Very low | 46.1 | Very low | 182 Ų | 182 | 115.8 Ų | 115.8 | 69% | 0.687 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -14.6 | 176.7 | -86.6 | -163.5 | 177.3 | -167.8 | 0.6 | 114.8 | ||
| 38 | L | 49.7 | Very low | 47.3 | Very low | 144 Ų | 144 | 111 Ų | 111 | 75% | 0.754 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | -11.3 | -175.1 | -78 | 164.1 | 0 | 0 | 0 | 114.2 | F36 | F36-L38 VanDerWaalsContact C-N 3.26Å; F36-L38 PolarHBondContact O-N 3.49Å |
| 39 | L | 50.7 | Low | 48.4 | Very low | 147 Ų | 147 | 114 Ų | 114 | 77% | 0.77 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -101.9 | -10.3 | -165.9 | -141.7 | 79 | 0 | 0 | 0 | 116.1 | ||
| 40 | C | 40.4 | Very low | 49.7 | Very low | 89 Ų | 89 | 107 Ų | 107 | 60% | 0.601 | 61% | 0.609 | S | S | * | * | trans | -144 | 87.3 | -177 | -62.9 | 0 | 0 | 0 | 0 | 113.3 | G42 | C40-G42 PolarHBondContact O-N 3.27Š| ||
| 41 | P | 48.5 | Very low | 51.1 | Low | 137 Ų | 137 | 107.6 Ų | 107.6 | 89% | 0.89 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | 93.1 | 164.1 | 32.6 | -26.1 | 0 | 0 | 0 | 107.7 | ||
| 42 | G | 45 | Very low | 52.7 | Low | 76 Ų | 76 | 106.4 Ų | 106.4 | 78% | 0.784 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 151.4 | -4.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | C40 M44 | C40-G42 PolarHBondContact O-N 3.27Å; G42-M44 PolarHBondContact O-N 2.82Å |
| 43 | A | 43.9 | Very low | 54.4 | Low | 81 Ų | 81 | 104.1 Ų | 104.1 | 67% | 0.669 | 58% | 0.576 | S | S | * | * | trans | -83.3 | 94.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 44 | M | 47 | Very low | 56.1 | Low | 172 Ų | 172 | 101.5 Ų | 101.5 | 85% | 0.847 | 57% | 0.566 | S | S | * | * | trans | -48.2 | 136 | 164.2 | -88.7 | 176.3 | 152.1 | 0 | 0 | 109.3 | G42 Q46 | G42-M44 PolarHBondContact O-N 2.82Å; M44-Q46 PolarHBondContact O-N 3.05Å | ||
| 45 | P | 51.6 | Low | 57.8 | Low | 65 Ų | 65 | 98 Ų | 98 | 42% | 0.422 | 56% | 0.559 | S | S | . | * | trans | -62.8 | 127.5 | 178.4 | 27.2 | -31.7 | 0 | 0 | 0 | 108.1 | S47 | P45-S47 PolarHBondContact O-N 3.07Å; P45-S47 PolarHBondContact O-OG 2.93Å | ||
| 46 | Q | 54.1 | Low | 59.8 | Low | 84 Ų | 84 | 95.2 Ų | 95.2 | 39% | 0.393 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | 27.7 | 174.5 | -64.9 | -169.1 | 7.4 | 0 | 0 | 112.3 | M44 D48 K49 F50 I70 | M44-Q46 PolarHBondContact O-N 3.05Å; Q46-D48 PolarHBondContact O-N 3.04Å; Q46-K49 HydrophobicContact CB-CD 4.43Å; Q46-K49 PolarHBondContact O-N 3.46Å; Q46-K49 VanDerWaalsContact O-N 3.15Å; Q46-F50 HydrophobicContact CB-CE2 4.37Å; Q46-F50 WeakPolarHBondContact O-CD2 2.93Å; Q46-F50 WeakPolarHBondContact O-CE2 3.33Å; Q46-I70 HydrophobicContact CB-CD1 4.33Å |
| 47 | S | 54.5 | Low | 62 | Low | 29 Ų | 29 | 92.6 Ų | 92.6 | 20% | 0.203 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -55.5 | -35.1 | 177.9 | 44.6 | 0 | 0 | 0 | 0 | 111.5 | P45 K49 F50 D51 | P45-S47 PolarHBondContact O-N 3.07Å; P45-S47 PolarHBondContact O-OG 2.93Å; S47-K49 PolarHBondContact O-N 2.86Å; S47-K49 VanDerWaalsContact O-N 3.12Å; S47-F50 PolarHBondContact O-N 3.13Å; S47-D51 PolarHBondContact O-N 2.84Å |
| 48 | D | 56.7 | Low | 64.4 | Low | 123 Ų | 123 | 84.5 Ų | 84.5 | 66% | 0.658 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.6 | -27.2 | -177.5 | -53.5 | -1.5 | 0 | 0 | 0 | 112.7 | Q46 F50 | Q46-D48 PolarHBondContact O-N 3.04Å; D48-F50 VanDerWaalsContact C-N 3.34Å |
| 49 | K | 63 | Low | 66.4 | Low | 132 Ų | 132 | 82.4 Ų | 82.4 | 57% | 0.574 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -71.5 | -32.2 | 175 | -69.9 | -174.7 | -174.7 | 168.4 | 0 | 112.1 | Q46 S47 | Q46-K49 HydrophobicContact CB-CD 4.43Å; Q46-K49 PolarHBondContact O-N 3.46Å; Q46-K49 VanDerWaalsContact O-N 3.15Å; S47-K49 PolarHBondContact O-N 2.86Å; S47-K49 VanDerWaalsContact O-N 3.12Å |
| 50 | F | 71.3 | Confident | 68.5 | Low | 15 Ų | 15 | 78.7 Ų | 78.7 | 7% | 0.066 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -92 | -13.6 | -176.4 | -53.3 | -67.1 | 0 | 0 | 0 | 112.4 | Q46 S47 D48 S52 L53 V65 E68 I70 L71 | Q46-F50 HydrophobicContact CB-CE2 4.37Å; Q46-F50 WeakPolarHBondContact O-CD2 2.93Å; Q46-F50 WeakPolarHBondContact O-CE2 3.33Å; S47-F50 PolarHBondContact O-N 3.13Å; D48-F50 VanDerWaalsContact C-N 3.34Å; F50-S52 PolarHBondContact O-N 3.2Å; F50-S52 VanDerWaalsContact O-N 3.16Å; F50-L53 HydrophobicContact CB-CD1 4.18Å; F50-L53 HydrophobicContact CD1-CD1 3.81Å; F50-L53 HydrophobicContact CG-CD1 4.49Å; F50-L53 VanDerWaalsContact O-CB 3.29Å; F50-L53 WeakPolarHBondContact O-CB 3.45Å; F50-L53 PolarHBondContact O-N 3.08Å; F50-V65 HydrophobicContact CD1-CG2 3.75Å; F50-V65 HydrophobicContact CE1-CG2 3.37Å; F50-V65 HydrophobicContact CZ-CG2 4.42Å; F50-E68 WeakPolarHBondContact CZ-OE2 3.14Å; F50-I70 HydrophobicContact CE2-CD1 4.07Å; F50-L71 HydrophobicContact CD1-CD1 4.41Å; F50-L71 HydrophobicContact CD2-CD2 4.13Å; F50-L71 HydrophobicContact CE1-CD1 4.07Å; F50-L71 HydrophobicContact CE2-CD1 4.29Å; F50-L71 HydrophobicContact CE2-CD2 4.28Å; F50-L71 HydrophobicContact CG-CD2 4.47Å; F50-L71 HydrophobicContact CZ-CD1 3.98Å |
| 51 | D | 72.8 | Confident | 70.8 | Confident | 75 Ų | 75 | 77.1 Ų | 77.1 | 40% | 0.401 | 48% | 0.484 | S | S | . | . | G | 310 helix | trans | -59.2 | -26.7 | 172.4 | -74.8 | -27.9 | 0 | 0 | 0 | 112.6 | S47 L53 N54 | S47-D51 PolarHBondContact O-N 2.84Å; D51-L53 PolarHBondContact O-N 3.08Å; D51-N54 VanDerWaalsContact O-CB 3.31Å; D51-N54 WeakPolarHBondContact O-CB 3.43Å; D51-N54 PolarHBondContact O-N 2.78Å; D51-N54 VanDerWaalsContact O-N 3.14Å; D51-N54 PolarHBondContact O-ND2 3.32Å; D51-N54 PolarHBondContact OD1-ND2 3.22Å |
| 52 | S | 79.1 | Confident | 72.9 | Confident | 102 Ų | 102 | 73.5 Ų | 73.5 | 71% | 0.713 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -67 | -18.4 | 173.6 | -61.6 | 0 | 0 | 0 | 0 | 113.5 | F50 N54 | F50-S52 PolarHBondContact O-N 3.2Å; F50-S52 VanDerWaalsContact O-N 3.16Å; S52-N54 VanDerWaalsContact C-N 3.35Å |
| 53 | L | 80.8 | Confident | 75.2 | Confident | 38 Ų | 38 | 76 Ų | 76 | 20% | 0.199 | 45% | 0.447 | C | S | . | . | G | 310 helix | trans | -82.8 | -15.7 | 175.8 | -66.8 | 152.6 | 0 | 0 | 0 | 111.6 | F50 D51 G55 T56 I64 V65 V92 | F50-L53 HydrophobicContact CB-CD1 4.18Å; F50-L53 HydrophobicContact CD1-CD1 3.81Å; F50-L53 HydrophobicContact CG-CD1 4.49Å; F50-L53 VanDerWaalsContact O-CB 3.29Å; F50-L53 WeakPolarHBondContact O-CB 3.45Å; F50-L53 PolarHBondContact O-N 3.08Å; D51-L53 PolarHBondContact O-N 3.08Å; L53-G55 PolarHBondContact O-N 3.4Å; L53-T56 WeakPolarHBondContact O-CB 3.35Å; L53-T56 WeakPolarHBondContact O-CG2 3.3Å; L53-T56 PolarHBondContact O-N 2.81Å; L53-T56 PolarHBondContact O-OG1 2.91Å; L53-I64 HydrophobicContact CD2-CG2 4.42Å; L53-V65 HydrophobicContact CD1-CB 4.35Å; L53-V65 HydrophobicContact CD1-CG2 4.42Å; L53-V92 HydrophobicContact CB-CG1 4.37Å |
| 54 | N | 84.7 | Confident | 77.3 | Confident | 64 Ų | 64 | 73.1 Ų | 73.1 | 34% | 0.342 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 126 | 179.9 | -73.4 | -37 | 0 | 0 | 0 | 111.2 | D51 S52 T56 V92 V94 | D51-N54 VanDerWaalsContact O-CB 3.31Å; D51-N54 WeakPolarHBondContact O-CB 3.43Å; D51-N54 PolarHBondContact O-N 2.78Å; D51-N54 VanDerWaalsContact O-N 3.14Å; D51-N54 PolarHBondContact O-ND2 3.32Å; D51-N54 PolarHBondContact OD1-ND2 3.22Å; S52-N54 VanDerWaalsContact C-N 3.35Å; N54-T56 VanDerWaalsContact C-N 3.29Å; N54-V92 WeakPolarHBondContact CA-O 3.46Å; N54-V94 WeakPolarHBondContact OD1-CA 3.46Å; N54-V94 VanDerWaalsContact OD1-CB 3.31Å; N54-V94 WeakPolarHBondContact OD1-CB 3.31Å; N54-V94 WeakPolarHBondContact OD1-CG2 3.44Å; N54-V94 PolarHBondContact OD1-N 2.79Å |
| 55 | G | 84.7 | Confident | 79.3 | Confident | 46 Ų | 46 | 65.8 Ų | 65.8 | 47% | 0.474 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | 7.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | L53 Y91 V92 | L53-G55 PolarHBondContact O-N 3.4Å; G55-Y91 WeakPolarHBondContact O-CD1 3.34Å; G55-V92 PolarHBondContact N-O 3.39Å |
| 56 | T | 88.6 | Confident | 81.1 | Confident | 45 Ų | 45 | 69.5 Ų | 69.5 | 28% | 0.276 | 39% | 0.394 | S | S | . | . | trans | -70.6 | 127.8 | 169.1 | 56 | 0 | 0 | 0 | 0 | 109.8 | L53 N54 Y91 V92 | L53-T56 WeakPolarHBondContact O-CB 3.35Å; L53-T56 WeakPolarHBondContact O-CG2 3.3Å; L53-T56 PolarHBondContact O-N 2.81Å; L53-T56 PolarHBondContact O-OG1 2.91Å; N54-T56 VanDerWaalsContact C-N 3.29Å; T56-Y91 WeakPolarHBondContact O-CA 3.49Å; T56-V92 PolarHBondContact O-N 3.48Å | ||
| 57 | P | 91.4 | Very high | 82.6 | Confident | 98 Ų | 98 | 70.2 Ų | 70.2 | 64% | 0.636 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 134 | 174 | 31 | -32.8 | 0 | 0 | 0 | 109.4 | G90 Y91 | P57-G90 WeakPolarHBondContact CA-O 3.25Å; P57-Y91 HydrophobicContact CB-CD1 4.34Å; P57-Y91 HydrophobicContact CB-CE1 4.11Å |
| 58 | V | 93.1 | Very high | 84.1 | Confident | 13 Ų | 13 | 71.6 Ų | 71.6 | 8% | 0.079 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 148.4 | -179.9 | -67.1 | 0 | 0 | 0 | 0 | 111 | D62 I64 A86 V89 G90 V92 V107 | V58-D62 HydrophobicContact CB-CB 4.42Å; V58-I64 HydrophobicContact CG1-CG1 4.49Å; V58-A86 HydrophobicContact CB-CB 3.94Å; V58-A86 HydrophobicContact CG2-CB 3.79Å; V58-V89 WeakPolarHBondContact O-CA 3.48Å; V58-G90 PolarHBondContact N-O 2.8Å; V58-G90 PolarHBondContact O-N 2.78Å; V58-V92 HydrophobicContact CB-CG2 4.39Å; V58-V92 HydrophobicContact CG1-CG2 3.53Å; V58-V92 HydrophobicContact CG2-CG2 3.91Å; V58-V107 HydrophobicContact CG2-CB 4.44Å; V58-V107 HydrophobicContact CG2-CG1 3.59Å; V58-V107 HydrophobicContact CG2-CG2 3.88Å |
| 59 | I | 93.4 | Very high | 85.3 | Confident | 99 Ų | 99 | 70 Ų | 70 | 51% | 0.508 | 39% | 0.393 | S | S | . | . | trans | -109.9 | 154.7 | 169.5 | 59.9 | 165.1 | 0 | 0 | 0 | 110.8 | G61 D62 | I59-G61 PolarHBondContact O-N 2.84Å; I59-D62 VanDerWaalsContact CG1-CG 3.4Å; I59-D62 WeakPolarHBondContact CG1-OD1 3.46Å; I59-D62 WeakPolarHBondContact CG1-OD2 3.41Å; I59-D62 PolarHBondContact N-OD2 3.2Å; I59-D62 VanDerWaalsContact O-CB 3.25Å; I59-D62 WeakPolarHBondContact O-CB 3.4Å; I59-D62 PolarHBondContact O-N 2.8Å | ||
| 60 | P | 92.9 | Very high | 86.2 | Confident | 70 Ų | 70 | 65.6 Ų | 65.6 | 46% | 0.455 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 128.4 | 175.3 | -27.1 | 33 | 0 | 0 | 0 | 111.8 | A86 T87 V89 | P60-A86 CarbonylContact C-O 3.6Å; P60-A86 WeakPolarHBondContact CA-O 3.28Å; P60-T87 WeakPolarHBondContact CG-O 3.33Å; P60-V89 HydrophobicContact CG-CG2 3.87Å |
| 61 | G | 90.7 | Very high | 86.8 | Confident | 56 Ų | 56 | 65 Ų | 65 | 58% | 0.577 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.2 | -12.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | I59 A86 | I59-G61 PolarHBondContact O-N 2.84Å; G61-A86 PolarHBondContact N-O 3.41Å |
| 62 | D | 92.6 | Very high | 87.5 | Confident | 61 Ų | 61 | 64.8 Ų | 64.8 | 33% | 0.326 | 37% | 0.374 | S | S | . | . | trans | -67.1 | 137.6 | 175 | -76.5 | -14.1 | 0 | 0 | 0 | 111.2 | V58 I59 Y85 A86 | V58-D62 HydrophobicContact CB-CB 4.42Å; I59-D62 VanDerWaalsContact CG1-CG 3.4Å; I59-D62 WeakPolarHBondContact CG1-OD1 3.46Å; I59-D62 WeakPolarHBondContact CG1-OD2 3.41Å; I59-D62 PolarHBondContact N-OD2 3.2Å; I59-D62 VanDerWaalsContact O-CB 3.25Å; I59-D62 WeakPolarHBondContact O-CB 3.4Å; I59-D62 PolarHBondContact O-N 2.8Å; D62-Y85 CarbonylContact O-C 3.54Å; D62-Y85 VanDerWaalsContact O-CA 3.31Å; D62-Y85 WeakPolarHBondContact O-CA 3.23Å; D62-A86 PolarHBondContact O-N 2.82Å | ||
| 63 | K | 91.6 | Very high | 87.9 | Confident | 129 Ų | 129 | 61.2 Ų | 61.2 | 56% | 0.561 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 115.8 | 172.9 | 179.3 | 177.3 | 172.1 | 173.4 | 0 | 109.3 | C83 Y85 | K63-C83 HydrophobicContact CD-CB 4.4Å; K63-C83 WeakPolarHBondContact CE-SG 3.34Å; K63-C83 HydrophobicContact CG-CB 4.35Å; K63-C83 PolarHBondContact NZ-SG 3.01Å; K63-Y85 HydrophobicContact CB-CD1 4.15Å; K63-Y85 HydrophobicContact CB-CE1 3.87Å; K63-Y85 HydrophobicContact CG-CE1 4.36Å |
| 64 | I | 88.8 | Confident | 88.3 | Confident | 19 Ų | 19 | 60.5 Ų | 60.5 | 10% | 0.097 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | -58.5 | 179.6 | -54.8 | 174.5 | 0 | 0 | 0 | 109.7 | L53 V58 I84 A86 V92 I105 V107 | L53-I64 HydrophobicContact CD2-CG2 4.42Å; V58-I64 HydrophobicContact CG1-CG1 4.49Å; I64-I84 HydrophobicContact CD1-CG2 4.27Å; I64-I84 PolarHBondContact N-O 2.8Å; I64-A86 HydrophobicContact CD1-CB 4.14Å; I64-A86 HydrophobicContact CG1-CB 4.31Å; I64-V92 HydrophobicContact CD1-CG2 4.24Å; I64-V92 HydrophobicContact CG1-CG2 4.45Å; I64-V92 HydrophobicContact CG2-CG1 4.23Å; I64-V92 HydrophobicContact CG2-CG2 4.24Å; I64-I105 HydrophobicContact CD1-CG2 4.37Å; I64-I105 HydrophobicContact CG2-CG2 4.43Å; I64-V107 HydrophobicContact CD1-CG2 3.78Å |
| 65 | V | 89.3 | Confident | 88.4 | Confident | 19 Ų | 19 | 64.6 Ų | 64.6 | 12% | 0.115 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 158.9 | -171.3 | 68.9 | 0 | 0 | 0 | 0 | 111.6 | F50 L53 L71 C83 I84 I105 | F50-V65 HydrophobicContact CD1-CG2 3.75Å; F50-V65 HydrophobicContact CE1-CG2 3.37Å; F50-V65 HydrophobicContact CZ-CG2 4.42Å; L53-V65 HydrophobicContact CD1-CB 4.35Å; L53-V65 HydrophobicContact CD1-CG2 4.42Å; V65-L71 HydrophobicContact CG1-CD1 3.81Å; V65-L71 HydrophobicContact CG2-CD1 4.13Å; V65-C83 WeakPolarHBondContact O-CA 2.97Å; V65-I84 HydrophobicContact CG1-CB 3.97Å; V65-I84 HydrophobicContact CG1-CD1 3.77Å; V65-I84 HydrophobicContact CG1-CG1 4.08Å; V65-I84 PolarHBondContact O-N 2.84Å; V65-I105 HydrophobicContact CG1-CD1 3.6Å |
| 66 | K | 89.6 | Confident | 88.6 | Confident | 143 Ų | 143 | 63 Ų | 63 | 62% | 0.622 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 139.6 | 169.1 | -168.2 | 176.4 | -179.8 | -178 | 0 | 109 | E68 | K66-E68 PolarHBondContact O-N 2.87Å |
| 67 | Y | 86.1 | Confident | 88.7 | Confident | 99 Ų | 99 | 61.7 Ų | 61.7 | 39% | 0.388 | 35% | 0.345 | S | S | . | . | trans | -64.6 | 127 | 176.4 | 176.4 | -104 | 0 | 0 | 0 | 109.9 | I79 S82 | Y67-I79 HydrophobicContact CD2-CD1 3.97Å; Y67-I79 HydrophobicContact CD2-CG1 4.36Å; Y67-I79 HydrophobicContact CD2-CG2 3.92Å; Y67-I79 HydrophobicContact CE2-CD1 3.78Å; Y67-I79 HydrophobicContact CE2-CG2 4.48Å; Y67-I79 HydrophobicContact CG-CG2 4.23Å; Y67-S82 VanDerWaalsContact CB-O 3.24Å; Y67-S82 WeakPolarHBondContact CB-O 3.43Å; Y67-S82 PolarHBondContact N-O 3.14Å | ||
| 68 | E | 84.8 | Confident | 88.7 | Confident | 58 Ų | 58 | 60.2 Ų | 60.2 | 27% | 0.271 | 34% | 0.335 | S | S | . | . | trans | -124.9 | 148 | 170.4 | -66.2 | -168.3 | 162.6 | 0 | 0 | 108.3 | F50 K66 I70 L71 | F50-E68 WeakPolarHBondContact CZ-OE2 3.14Å; K66-E68 PolarHBondContact O-N 2.87Å; E68-I70 HydrophobicContact CB-CG1 3.81Å; E68-I70 PolarHBondContact O-N 3.21Å; E68-I70 VanDerWaalsContact O-N 3.08Å; E68-I70 WeakPolarHBondContact OE2-CD1 3.16Å; E68-L71 HydrophobicContact CB-CD1 4.26Å; E68-L71 HydrophobicContact CB-CG 4.29Å; E68-L71 PolarHBondContact O-N 2.94Å | ||
| 69 | P | 81.7 | Confident | 88.6 | Confident | 88 Ų | 88 | 63.4 Ų | 63.4 | 57% | 0.571 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -19.5 | -179.7 | 26.6 | -35.4 | 0 | 0 | 0 | 112.7 | L71 Y102 | P69-L71 VanDerWaalsContact C-N 3.28Å; P69-Y102 WeakPolarHBondContact O-CD1 2.97Å; P69-Y102 VanDerWaalsContact O-CE1 3.26Å; P69-Y102 WeakPolarHBondContact O-CE1 3.4Å |
| 70 | I | 83.1 | Confident | 88.4 | Confident | 41 Ų | 41 | 63.2 Ų | 63.2 | 21% | 0.21 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -11.6 | 173.5 | 61.7 | 164.3 | 0 | 0 | 0 | 113.1 | Q46 F50 E68 A101 Y102 A103 | Q46-I70 HydrophobicContact CB-CD1 4.33Å; F50-I70 HydrophobicContact CE2-CD1 4.07Å; E68-I70 HydrophobicContact CB-CG1 3.81Å; E68-I70 PolarHBondContact O-N 3.21Å; E68-I70 VanDerWaalsContact O-N 3.08Å; E68-I70 WeakPolarHBondContact OE2-CD1 3.16Å; I70-A101 WeakPolarHBondContact CB-O 3.33Å; I70-A101 WeakPolarHBondContact CG2-O 3.41Å; I70-Y102 CarbonylContact O-C 3.5Å; I70-Y102 WeakPolarHBondContact O-CA 3.45Å; I70-A103 PolarHBondContact O-N 3.27Å |
| 71 | L | 83.7 | Confident | 88 | Confident | 2 Ų | 2 | 68.6 Ų | 68.6 | 1% | 0.01 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 128.3 | -176.5 | -63.3 | 176.3 | 0 | 0 | 0 | 111.2 | F50 V65 E68 P69 I84 A103 I105 | F50-L71 HydrophobicContact CD1-CD1 4.41Å; F50-L71 HydrophobicContact CD2-CD2 4.13Å; F50-L71 HydrophobicContact CE1-CD1 4.07Å; F50-L71 HydrophobicContact CE2-CD1 4.29Å; F50-L71 HydrophobicContact CE2-CD2 4.28Å; F50-L71 HydrophobicContact CG-CD2 4.47Å; F50-L71 HydrophobicContact CZ-CD1 3.98Å; V65-L71 HydrophobicContact CG1-CD1 3.81Å; V65-L71 HydrophobicContact CG2-CD1 4.13Å; E68-L71 HydrophobicContact CB-CD1 4.26Å; E68-L71 HydrophobicContact CB-CG 4.29Å; E68-L71 PolarHBondContact O-N 2.94Å; P69-L71 VanDerWaalsContact C-N 3.28Å; L71-I84 HydrophobicContact CB-CD1 4.03Å; L71-I84 HydrophobicContact CD1-CD1 4.41Å; L71-A103 WeakPolarHBondContact CA-O 3.05Å; L71-A103 HydrophobicContact CD2-CB 3.94Å; L71-I105 HydrophobicContact CB-CD1 4.36Å; L71-I105 HydrophobicContact CD1-CD1 3.99Å; L71-I105 HydrophobicContact CD2-CD1 3.99Å; L71-I105 HydrophobicContact CD2-CG1 4.33Å; L71-I105 HydrophobicContact CG-CD1 4.33Å |
| 72 | V | 86.3 | Confident | 87.9 | Confident | 71 Ų | 71 | 69.7 Ų | 69.7 | 43% | 0.43 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 127.7 | 173.2 | -180 | 0 | 0 | 0 | 0 | 108.4 | G74 A103 V104 I105 | V72-G74 PolarHBondContact O-N 3.16Å; V72-A103 PolarHBondContact N-O 2.61Å; V72-V104 HydrophobicContact CB-CG2 4.16Å; V72-V104 WeakPolarHBondContact O-CA 3.18Å; V72-I105 PolarHBondContact O-N 2.91Å |
| 73 | A | 88.5 | Confident | 87.8 | Confident | 27 Ų | 27 | 67.4 Ų | 67.4 | 22% | 0.223 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 117.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | C77 I79 I84 | A73-C77 HydrophobicContact CB-CB 3.78Å; A73-I79 HydrophobicContact CB-CD1 3.81Å; A73-I79 HydrophobicContact CB-CG1 3.58Å; A73-I84 HydrophobicContact CB-CG2 4.39Å |
| 74 | G | 88.3 | Confident | 87.8 | Confident | 22 Ų | 22 | 61.2 Ų | 61.2 | 23% | 0.227 | 32% | 0.322 | C | S | . | . | trans | -93.9 | -149.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V72 C77 I105 D106 | V72-G74 PolarHBondContact O-N 3.16Å; G74-C77 PolarHBondContact O-N 2.78Å; G74-I105 WeakPolarHBondContact CA-O 3.3Å; G74-I105 PolarHBondContact N-O 3.33Å; G74-D106 VanDerWaalsContact CA-OD1 3.25Å; G74-D106 WeakPolarHBondContact CA-OD1 3.37Å | ||
| 75 | E | 87.8 | Confident | 87.9 | Confident | 151 Ų | 151 | 63.1 Ų | 63.1 | 71% | 0.706 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | 137.9 | -175.7 | -169.1 | 172.6 | 176.2 | 0 | 0 | 110.9 | C77 D106 V107 | E75-C77 PolarHBondContact O-N 3.23Å; E75-D106 PolarHBondContact N-OD1 2.99Å; E75-D106 CarbonylContact O-C 3.59Å; E75-D106 WeakPolarHBondContact O-CA 3.41Å; E75-V107 PolarHBondContact O-N 3.25Å |
| 76 | G | 87.5 | Confident | 88.1 | Confident | 12 Ų | 12 | 62.3 Ų | 62.3 | 12% | 0.124 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 4.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | T87 L88 | G76-T87 PolarHBondContact O-N 3.43Å; G76-L88 PolarHBondContact O-N 2.85Å |
| 77 | C | 91.4 | Very high | 88.2 | Confident | 17 Ų | 17 | 59.2 Ų | 59.2 | 12% | 0.115 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 148.1 | 175.7 | -68.3 | 0 | 0 | 0 | 0 | 111.5 | A73 G74 E75 I84 Y85 I105 V107 | A73-C77 HydrophobicContact CB-CB 3.78Å; G74-C77 PolarHBondContact O-N 2.78Å; E75-C77 PolarHBondContact O-N 3.23Å; C77-I84 HydrophobicContact CB-CG2 3.93Å; C77-Y85 CarbonylContact C-O 3.28Å; C77-Y85 WeakPolarHBondContact CA-O 3.46Å; C77-I105 PolarHBondContact SG-O 3.2Å; C77-V107 VanDerWaalsContact SG-CG2 3.58Å |
| 78 | T | 91.3 | Very high | 88.4 | Confident | 67 Ų | 67 | 57.8 Ų | 57.8 | 41% | 0.411 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 147.3 | 170 | -172.5 | 0 | 0 | 0 | 0 | 110.8 | I84 Y85 T87 | T78-I84 CarbonylContact O-C 3.6Å; T78-I84 WeakPolarHBondContact O-CA 3.37Å; T78-Y85 PolarHBondContact N-O 2.9Å; T78-Y85 PolarHBondContact O-N 2.85Å; T78-T87 WeakPolarHBondContact CG2-OG1 3.48Å |
| 79 | I | 91.8 | Very high | 88.6 | Confident | 81 Ų | 81 | 59.5 Ų | 59.5 | 42% | 0.415 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 118.3 | 178.1 | -56.1 | 168 | 0 | 0 | 0 | 107.9 | Y67 A73 C83 I84 | Y67-I79 HydrophobicContact CD2-CD1 3.97Å; Y67-I79 HydrophobicContact CD2-CG1 4.36Å; Y67-I79 HydrophobicContact CD2-CG2 3.92Å; Y67-I79 HydrophobicContact CE2-CD1 3.78Å; Y67-I79 HydrophobicContact CE2-CG2 4.48Å; Y67-I79 HydrophobicContact CG-CG2 4.23Å; A73-I79 HydrophobicContact CB-CD1 3.81Å; A73-I79 HydrophobicContact CB-CG1 3.58Å; I79-C83 WeakPolarHBondContact CA-O 3.36Å; I79-I84 HydrophobicContact CG1-CG1 4.3Å |
| 80 | M | 88.3 | Confident | 89 | Confident | 95 Ų | 95 | 55.7 Ų | 55.7 | 47% | 0.468 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 139.4 | 176.9 | -159.5 | -170.1 | -169.9 | 0 | 0 | 109.4 | S82 C83 Y85 | M80-S82 VanDerWaalsContact C-N 3.26Å; M80-S82 PolarHBondContact O-N 3.23Å; M80-S82 VanDerWaalsContact O-N 3.1Å; M80-C83 PolarHBondContact N-O 2.78Å; M80-C83 CarbonylContact O-C 3.59Å; M80-C83 PolarHBondContact O-N 3.24Å; M80-Y85 HydrophobicContact CB-CD2 3.74Å; M80-Y85 HydrophobicContact CB-CE2 3.8Å; M80-Y85 VanDerWaalsContact O-CE2 3.31Å; M80-Y85 WeakPolarHBondContact O-CE2 3.38Å |
| 81 | Y | 85.7 | Confident | 89.3 | Confident | 183 Ų | 183 | 58.7 Ų | 58.7 | 72% | 0.718 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.9 | 44.4 | 177.1 | -54.2 | -62.4 | 0 | 0 | 0 | 114.5 | C83 | Y81-C83 PolarHBondContact O-N 2.76Å; Y81-C83 VanDerWaalsContact O-N 3.14Å |
| 82 | S | 87.9 | Confident | 89.7 | Confident | 79 Ų | 79 | 58.7 Ų | 58.7 | 55% | 0.552 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 28.2 | -177.6 | -51.9 | 0 | 0 | 0 | 0 | 114.2 | Y67 M80 | Y67-S82 VanDerWaalsContact CB-O 3.24Å; Y67-S82 WeakPolarHBondContact CB-O 3.43Å; Y67-S82 PolarHBondContact N-O 3.14Å; M80-S82 VanDerWaalsContact C-N 3.26Å; M80-S82 PolarHBondContact O-N 3.23Å; M80-S82 VanDerWaalsContact O-N 3.1Å |
| 83 | C | 89.9 | Confident | 89.8 | Confident | 12 Ų | 12 | 56.8 Ų | 56.8 | 8% | 0.081 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 154 | 172.9 | -60.4 | 0 | 0 | 0 | 0 | 109.5 | K63 V65 I79 M80 Y81 Y85 | K63-C83 HydrophobicContact CD-CB 4.4Å; K63-C83 WeakPolarHBondContact CE-SG 3.34Å; K63-C83 HydrophobicContact CG-CB 4.35Å; K63-C83 PolarHBondContact NZ-SG 3.01Å; V65-C83 WeakPolarHBondContact O-CA 2.97Å; I79-C83 WeakPolarHBondContact CA-O 3.36Å; M80-C83 PolarHBondContact N-O 2.78Å; M80-C83 CarbonylContact O-C 3.59Å; M80-C83 PolarHBondContact O-N 3.24Å; Y81-C83 PolarHBondContact O-N 2.76Å; Y81-C83 VanDerWaalsContact O-N 3.14Å; C83-Y85 HydrophobicContact CB-CD2 4.32Å; C83-Y85 HydrophobicContact CB-CE2 3.68Å |
| 84 | I | 91.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 123.7 | 173.6 | -55.6 | -179.3 | 0 | 0 | 0 | 107.4 | I64 V65 L71 A73 C77 T78 I79 I105 | I64-I84 HydrophobicContact CD1-CG2 4.27Å; I64-I84 PolarHBondContact N-O 2.8Å; V65-I84 HydrophobicContact CG1-CB 3.97Å; V65-I84 HydrophobicContact CG1-CD1 3.77Å; V65-I84 HydrophobicContact CG1-CG1 4.08Å; V65-I84 PolarHBondContact O-N 2.84Å; L71-I84 HydrophobicContact CB-CD1 4.03Å; L71-I84 HydrophobicContact CD1-CD1 4.41Å; A73-I84 HydrophobicContact CB-CG2 4.39Å; C77-I84 HydrophobicContact CB-CG2 3.93Å; T78-I84 CarbonylContact O-C 3.6Å; T78-I84 WeakPolarHBondContact O-CA 3.37Å; I79-I84 HydrophobicContact CG1-CG1 4.3Å; I84-I105 HydrophobicContact CD1-CD1 3.82Å |
| 85 | Y | 92.6 | Very high | 89.5 | Confident | 58 Ų | 58 | 58.9 Ų | 58.9 | 23% | 0.227 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 146.5 | 179 | -68 | -87.2 | 0 | 0 | 0 | 110.5 | D62 K63 C77 T78 M80 C83 | D62-Y85 CarbonylContact O-C 3.54Å; D62-Y85 VanDerWaalsContact O-CA 3.31Å; D62-Y85 WeakPolarHBondContact O-CA 3.23Å; K63-Y85 HydrophobicContact CB-CD1 4.15Å; K63-Y85 HydrophobicContact CB-CE1 3.87Å; K63-Y85 HydrophobicContact CG-CE1 4.36Å; C77-Y85 CarbonylContact C-O 3.28Å; C77-Y85 WeakPolarHBondContact CA-O 3.46Å; T78-Y85 PolarHBondContact N-O 2.9Å; T78-Y85 PolarHBondContact O-N 2.85Å; M80-Y85 HydrophobicContact CB-CD2 3.74Å; M80-Y85 HydrophobicContact CB-CE2 3.8Å; M80-Y85 VanDerWaalsContact O-CE2 3.31Å; M80-Y85 WeakPolarHBondContact O-CE2 3.38Å; C83-Y85 HydrophobicContact CB-CD2 4.32Å; C83-Y85 HydrophobicContact CB-CE2 3.68Å |
| 86 | A | 92.7 | Very high | 89.2 | Confident | 3 Ų | 3 | 56 Ų | 56 | 3% | 0.025 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 132.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110 | V58 P60 G61 D62 I64 V107 | V58-A86 HydrophobicContact CB-CB 3.94Å; V58-A86 HydrophobicContact CG2-CB 3.79Å; P60-A86 CarbonylContact C-O 3.6Å; P60-A86 WeakPolarHBondContact CA-O 3.28Å; G61-A86 PolarHBondContact N-O 3.41Å; D62-A86 PolarHBondContact O-N 2.82Å; I64-A86 HydrophobicContact CD1-CB 4.14Å; I64-A86 HydrophobicContact CG1-CB 4.31Å; A86-V107 HydrophobicContact CB-CG2 4.37Å |
| 87 | T | 91.3 | Very high | 88.7 | Confident | 77 Ų | 77 | 59.1 Ų | 59.1 | 47% | 0.472 | 32% | 0.315 | S | S | . | . | trans | -105.7 | -20.6 | 172.6 | -50.1 | 0 | 0 | 0 | 0 | 111.1 | P60 G76 T78 | P60-T87 WeakPolarHBondContact CG-O 3.33Å; G76-T87 PolarHBondContact O-N 3.43Å; T78-T87 WeakPolarHBondContact CG2-OG1 3.48Å | ||
| 88 | L | 89.7 | Confident | 87.6 | Confident | 69 Ų | 69 | 61.3 Ų | 61.3 | 36% | 0.361 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -114.8 | 153.3 | 179.5 | -67.5 | 176.6 | 0 | 0 | 0 | 111.3 | G76 V107 | G76-L88 PolarHBondContact O-N 2.85Å; L88-V107 HydrophobicContact CB-CG1 4.18Å; L88-V107 WeakPolarHBondContact O-CG1 3.36Å |
| 89 | V | 90.5 | Very high | 86.2 | Confident | 95 Ų | 95 | 66.9 Ų | 66.9 | 58% | 0.576 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -80.2 | 126.4 | 167.6 | 179.9 | 0 | 0 | 0 | 0 | 108 | V58 P60 | V58-V89 WeakPolarHBondContact O-CA 3.48Å; P60-V89 HydrophobicContact CG-CG2 3.87Å |
| 90 | G | 89.7 | Confident | 84.9 | Confident | 7 Ų | 7 | 65.2 Ų | 65.2 | 7% | 0.072 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174 | -160.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | P57 V58 E108 | P57-G90 WeakPolarHBondContact CA-O 3.25Å; V58-G90 PolarHBondContact N-O 2.8Å; V58-G90 PolarHBondContact O-N 2.78Å; G90-E108 CarbonylContact C-O 3.6Å; G90-E108 VanDerWaalsContact CA-O 3.25Å; G90-E108 WeakPolarHBondContact CA-O 3.4Å |
| 91 | Y | 90.1 | Very high | 84 | Confident | 104 Ų | 104 | 63.1 Ų | 63.1 | 41% | 0.408 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 135.4 | 173.8 | -65.2 | -83 | 0 | 0 | 0 | 109.5 | G55 T56 P57 S93 E108 N110 | G55-Y91 WeakPolarHBondContact O-CD1 3.34Å; T56-Y91 WeakPolarHBondContact O-CA 3.49Å; P57-Y91 HydrophobicContact CB-CD1 4.34Å; P57-Y91 HydrophobicContact CB-CE1 4.11Å; Y91-S93 PolarHBondContact O-N 3.02Å; Y91-E108 PolarHBondContact N-O 2.96Å; Y91-E108 PolarHBondContact O-N 2.74Å; Y91-N110 HydrophobicContact CE2-CB 4.14Å |
| 92 | V | 90.9 | Very high | 83.6 | Confident | 3 Ų | 3 | 57.3 Ų | 57.3 | 2% | 0.018 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 129.2 | 173.7 | -179.4 | 0 | 0 | 0 | 0 | 109.1 | L53 N54 G55 T56 V58 I64 V94 I105 V107 | L53-V92 HydrophobicContact CB-CG1 4.37Å; N54-V92 WeakPolarHBondContact CA-O 3.46Å; G55-V92 PolarHBondContact N-O 3.39Å; T56-V92 PolarHBondContact O-N 3.48Å; V58-V92 HydrophobicContact CB-CG2 4.39Å; V58-V92 HydrophobicContact CG1-CG2 3.53Å; V58-V92 HydrophobicContact CG2-CG2 3.91Å; I64-V92 HydrophobicContact CD1-CG2 4.24Å; I64-V92 HydrophobicContact CG1-CG2 4.45Å; I64-V92 HydrophobicContact CG2-CG1 4.23Å; I64-V92 HydrophobicContact CG2-CG2 4.24Å; V92-V94 HydrophobicContact CG1-CG2 4.13Å; V92-I105 HydrophobicContact CG1-CG2 3.85Å; V92-V107 HydrophobicContact CG2-CG2 4.19Å |
| 93 | S | 87.8 | Confident | 83.4 | Confident | 30 Ų | 30 | 53.9 Ų | 53.9 | 21% | 0.21 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 110.9 | 173.3 | 176.5 | 0 | 0 | 0 | 0 | 108.9 | Y91 D106 | Y91-S93 PolarHBondContact O-N 3.02Å; S93-D106 PolarHBondContact N-O 3.15Å; S93-D106 PolarHBondContact O-N 2.86Å |
| 94 | V | 87.6 | Confident | 83.2 | Confident | 10 Ų | 10 | 54.8 Ų | 54.8 | 6% | 0.061 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 114.1 | 174.3 | -171.2 | 0 | 0 | 0 | 0 | 108.2 | N54 V92 A103 V104 I105 | N54-V94 WeakPolarHBondContact OD1-CA 3.46Å; N54-V94 VanDerWaalsContact OD1-CB 3.31Å; N54-V94 WeakPolarHBondContact OD1-CB 3.31Å; N54-V94 WeakPolarHBondContact OD1-CG2 3.44Å; N54-V94 PolarHBondContact OD1-N 2.79Å; V92-V94 HydrophobicContact CG1-CG2 4.13Å; V94-A103 HydrophobicContact CG1-CB 3.83Å; V94-V104 CarbonylContact C-O 3.58Å; V94-V104 WeakPolarHBondContact CA-O 3.02Å; V94-I105 HydrophobicContact CG1-CG1 4.37Å; V94-I105 HydrophobicContact CG2-CG1 4.2Å |
| 95 | K | 84.2 | Confident | 83.1 | Confident | 84 Ų | 84 | 54.8 Ų | 54.8 | 37% | 0.365 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 116.9 | 178.6 | -65.1 | 172.9 | -168.7 | 143.9 | 0 | 109 | V104 D106 E108 | K95-V104 PolarHBondContact N-O 3.41Å; K95-V104 PolarHBondContact O-N 2.96Å; K95-D106 IonicContact NZ-OD2 2.87Å; K95-D106 PolarHBondContact NZ-OD2 3.38Å; K95-E108 WeakPolarHBondContact CE-OE1 3.35Å; K95-E108 IonicContact NZ-OE1 2.7Å; K95-E108 PolarHBondContact NZ-OE1 3.08Å |
| 96 | P | 80.9 | Confident | 82.9 | Confident | 91 Ų | 91 | 53.1 Ų | 53.1 | 59% | 0.591 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 131.2 | 172.3 | 27.9 | -32.1 | 0 | 0 | 0 | 110 | G98 | P96-G98 PolarHBondContact O-N 3.28Å; P96-G98 VanDerWaalsContact O-N 3.15Å |
| 97 | V | 77.5 | Confident | 82.8 | Confident | 76 Ų | 76 | 53 Ų | 53 | 46% | 0.461 | 31% | 0.314 | S | S | . | . | trans | -89.3 | 82.6 | -179.4 | -175.8 | 0 | 0 | 0 | 0 | 109.7 | S100 Y102 V104 | V97-S100 VanDerWaalsContact O-CB 3.31Å; V97-S100 WeakPolarHBondContact O-CB 3.1Å; V97-S100 PolarHBondContact O-N 2.79Å; V97-S100 PolarHBondContact O-OG 3.18Å; V97-Y102 PolarHBondContact N-O 2.86Å; V97-V104 HydrophobicContact CG2-CB 4.28Å; V97-V104 HydrophobicContact CG2-CG2 3.4Å; V97-V104 VanDerWaalsContact CG2-CG2 3.4Å | ||
| 98 | G | 67.9 | Low | 82.5 | Confident | 64 Ų | 64 | 52.6 Ų | 52.6 | 66% | 0.66 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | -144.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | P96 S100 | P96-G98 PolarHBondContact O-N 3.28Å; P96-G98 VanDerWaalsContact O-N 3.15Å; G98-S100 PolarHBondContact O-N 3.27Å; G98-S100 VanDerWaalsContact O-N 3.12Å |
| 99 | N | 62.4 | Low | 82.1 | Confident | 183 Ų | 183 | 53.1 Ų | 53.1 | 98% | 0.979 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | 9.6 | 177.2 | -79.2 | 3.4 | 0 | 0 | 0 | 114 | ||
| 100 | S | 63.9 | Low | 81.1 | Confident | 46 Ų | 46 | 54.1 Ų | 54.1 | 32% | 0.322 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -88.8 | 141.6 | -179.3 | -46.9 | 0 | 0 | 0 | 0 | 109.1 | V97 G98 Y102 | V97-S100 VanDerWaalsContact O-CB 3.31Å; V97-S100 WeakPolarHBondContact O-CB 3.1Å; V97-S100 PolarHBondContact O-N 2.79Å; V97-S100 PolarHBondContact O-OG 3.18Å; G98-S100 PolarHBondContact O-N 3.27Å; G98-S100 VanDerWaalsContact O-N 3.12Å; S100-Y102 PolarHBondContact O-N 3.42Å |
| 101 | A | 69.9 | Low | 79.6 | Confident | 52 Ų | 52 | 62.4 Ų | 62.4 | 43% | 0.43 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -68.7 | 22.1 | 178 | 0 | 0 | 0 | 0 | 0 | 114.1 | I70 | I70-A101 WeakPolarHBondContact CB-O 3.33Å; I70-A101 WeakPolarHBondContact CG2-O 3.41Å |
| 102 | Y | 77.3 | Confident | 77.8 | Confident | 61 Ų | 61 | 60.8 Ų | 60.8 | 24% | 0.239 | 35% | 0.354 | C | S | . | . | trans | -116 | 138.1 | -176.4 | -56.5 | -77.2 | 0 | 0 | 0 | 111.1 | P69 I70 V97 S100 | P69-Y102 WeakPolarHBondContact O-CD1 2.97Å; P69-Y102 VanDerWaalsContact O-CE1 3.26Å; P69-Y102 WeakPolarHBondContact O-CE1 3.4Å; I70-Y102 CarbonylContact O-C 3.5Å; I70-Y102 WeakPolarHBondContact O-CA 3.45Å; V97-Y102 PolarHBondContact N-O 2.86Å; S100-Y102 PolarHBondContact O-N 3.42Å | ||
| 103 | A | 83.6 | Confident | 75.9 | Confident | 7 Ų | 7 | 62.3 Ų | 62.3 | 6% | 0.058 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 135 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | I70 L71 V72 V94 | I70-A103 PolarHBondContact O-N 3.27Å; L71-A103 WeakPolarHBondContact CA-O 3.05Å; L71-A103 HydrophobicContact CD2-CB 3.94Å; V72-A103 PolarHBondContact N-O 2.61Å; V94-A103 HydrophobicContact CG1-CB 3.83Å |
| 104 | V | 85.7 | Confident | 74.1 | Confident | 31 Ų | 31 | 63.7 Ų | 63.7 | 19% | 0.188 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 128.3 | 175.5 | 176.2 | 0 | 0 | 0 | 0 | 108.4 | V72 V94 K95 V97 | V72-V104 HydrophobicContact CB-CG2 4.16Å; V72-V104 WeakPolarHBondContact O-CA 3.18Å; V94-V104 CarbonylContact C-O 3.58Å; V94-V104 WeakPolarHBondContact CA-O 3.02Å; K95-V104 PolarHBondContact N-O 3.41Å; K95-V104 PolarHBondContact O-N 2.96Å; V97-V104 HydrophobicContact CG2-CB 4.28Å; V97-V104 HydrophobicContact CG2-CG2 3.4Å; V97-V104 VanDerWaalsContact CG2-CG2 3.4Å |
| 105 | I | 88.6 | Confident | 72.6 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 109.9 | 176.9 | -58 | 177.7 | 0 | 0 | 0 | 108.1 | I64 V65 L71 V72 G74 C77 I84 V92 V94 | I64-I105 HydrophobicContact CD1-CG2 4.37Å; I64-I105 HydrophobicContact CG2-CG2 4.43Å; V65-I105 HydrophobicContact CG1-CD1 3.6Å; L71-I105 HydrophobicContact CB-CD1 4.36Å; L71-I105 HydrophobicContact CD1-CD1 3.99Å; L71-I105 HydrophobicContact CD2-CD1 3.99Å; L71-I105 HydrophobicContact CD2-CG1 4.33Å; L71-I105 HydrophobicContact CG-CD1 4.33Å; V72-I105 PolarHBondContact O-N 2.91Å; G74-I105 WeakPolarHBondContact CA-O 3.3Å; G74-I105 PolarHBondContact N-O 3.33Å; C77-I105 PolarHBondContact SG-O 3.2Å; I84-I105 HydrophobicContact CD1-CD1 3.82Å; V92-I105 HydrophobicContact CG1-CG2 3.85Å; V94-I105 HydrophobicContact CG1-CG1 4.37Å; V94-I105 HydrophobicContact CG2-CG1 4.2Å |
| 106 | D | 88.9 | Confident | 71.5 | Confident | 22 Ų | 22 | 67.3 Ų | 67.3 | 12% | 0.118 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 146.5 | 171.6 | -64.9 | -37.7 | 0 | 0 | 0 | 109.7 | G74 E75 S93 K95 E108 | G74-D106 VanDerWaalsContact CA-OD1 3.25Å; G74-D106 WeakPolarHBondContact CA-OD1 3.37Å; E75-D106 PolarHBondContact N-OD1 2.99Å; E75-D106 CarbonylContact O-C 3.59Å; E75-D106 WeakPolarHBondContact O-CA 3.41Å; S93-D106 PolarHBondContact N-O 3.15Å; S93-D106 PolarHBondContact O-N 2.86Å; K95-D106 IonicContact NZ-OD2 2.87Å; K95-D106 PolarHBondContact NZ-OD2 3.38Å; D106-E108 HydrophobicContact CB-CG 4.36Å |
| 107 | V | 89.7 | Confident | 71 | Confident | 1 Ų | 1 | 66.9 Ų | 66.9 | 1% | 0.006 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 102.4 | 164.1 | 174.4 | 0 | 0 | 0 | 0 | 107.2 | V58 I64 E75 C77 A86 L88 V92 | V58-V107 HydrophobicContact CG2-CB 4.44Å; V58-V107 HydrophobicContact CG2-CG1 3.59Å; V58-V107 HydrophobicContact CG2-CG2 3.88Å; I64-V107 HydrophobicContact CD1-CG2 3.78Å; E75-V107 PolarHBondContact O-N 3.25Å; C77-V107 VanDerWaalsContact SG-CG2 3.58Å; A86-V107 HydrophobicContact CB-CG2 4.37Å; L88-V107 HydrophobicContact CB-CG1 4.18Å; L88-V107 WeakPolarHBondContact O-CG1 3.36Å; V92-V107 HydrophobicContact CG2-CG2 4.19Å |
| 108 | E | 85.4 | Confident | 70.9 | Confident | 69 Ų | 69 | 63.3 Ų | 63.3 | 32% | 0.322 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 124.2 | 179.4 | -65 | -176.3 | 175.7 | 0 | 0 | 109.1 | G90 Y91 K95 D106 | G90-E108 CarbonylContact C-O 3.6Å; G90-E108 VanDerWaalsContact CA-O 3.25Å; G90-E108 WeakPolarHBondContact CA-O 3.4Å; Y91-E108 PolarHBondContact N-O 2.96Å; Y91-E108 PolarHBondContact O-N 2.74Å; K95-E108 WeakPolarHBondContact CE-OE1 3.35Å; K95-E108 IonicContact NZ-OE1 2.7Å; K95-E108 PolarHBondContact NZ-OE1 3.08Å; D106-E108 HydrophobicContact CB-CG 4.36Å |
| 109 | P | 81.2 | Confident | 71.4 | Confident | 80 Ų | 80 | 67.4 Ų | 67.4 | 52% | 0.519 | 38% | 0.377 | S | S | . | . | trans | -58.4 | 146.5 | 167.5 | 26.4 | -32.4 | 0 | 0 | 0 | 108.9 | K111 | P109-K111 PolarHBondContact O-N 2.9Š| ||
| 110 | N | 69.2 | Low | 72.4 | Confident | 115 Ų | 115 | 64.5 Ų | 64.5 | 62% | 0.615 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -34.9 | 127.4 | -174.4 | -173.7 | 8.7 | 0 | 0 | 0 | 111.9 | Y91 S112 | Y91-N110 HydrophobicContact CE2-CB 4.14Å; N110-S112 PolarHBondContact O-N 2.84Å |
| 111 | K | 58.7 | Low | 73.2 | Confident | 182 Ų | 182 | 64 Ų | 64 | 79% | 0.791 | 36% | 0.362 | S | S | * | . | trans | -51.1 | 60.1 | -168.8 | -65.3 | 177.3 | 178.6 | 175.3 | 0 | 114.8 | P109 S113 | P109-K111 PolarHBondContact O-N 2.9Å; K111-S113 PolarHBondContact O-N 2.96Å | ||
| 112 | S | 52 | Low | 73.8 | Confident | 70 Ų | 70 | 62.7 Ų | 62.7 | 49% | 0.49 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -76.7 | 82.2 | 156.6 | 67.7 | 0 | 0 | 0 | 0 | 105.1 | N110 G114 | N110-S112 PolarHBondContact O-N 2.84Å; S112-G114 PolarHBondContact O-N 2.66Å |
| 113 | S | 50.9 | Low | 74 | Confident | 35 Ų | 35 | 62.8 Ų | 62.8 | 25% | 0.245 | 35% | 0.354 | C | S | . | . | trans | 21.1 | 81.3 | 156.9 | 53.3 | 0 | 0 | 0 | 0 | 111.6 | K111 D115 P147 | K111-S113 PolarHBondContact O-N 2.96Å; S113-D115 PolarHBondContact O-N 3.28Å; S113-P147 WeakPolarHBondContact CB-O 3.37Å; S113-P147 PolarHBondContact OG-O 2.72Å | ||
| 114 | G | 50.3 | Low | 74 | Confident | 59 Ų | 59 | 62.4 Ų | 62.4 | 61% | 0.608 | 35% | 0.352 | S | S | * | . | trans | -43.2 | 134.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | S112 D116 | S112-G114 PolarHBondContact O-N 2.66Å; G114-D116 PolarHBondContact O-N 3Å | ||
| 115 | D | 55.8 | Low | 74 | Confident | 99 Ų | 99 | 63 Ų | 63 | 53% | 0.529 | 36% | 0.355 | S | S | . | . | trans | -45 | 80.5 | -165.9 | -62.9 | -67.7 | 0 | 0 | 0 | 112 | S113 L117 | S113-D115 PolarHBondContact O-N 3.28Å; D115-L117 PolarHBondContact O-N 2.76Å | ||
| 116 | D | 62.1 | Low | 73.7 | Confident | 70 Ų | 70 | 63.1 Ų | 63.1 | 37% | 0.374 | 36% | 0.356 | S | S | . | . | trans | -73.6 | 83.9 | 171.5 | -87.4 | -28 | 0 | 0 | 0 | 104.4 | G114 K146 | G114-D116 PolarHBondContact O-N 3Å; D116-K146 WeakPolarHBondContact OD2-CD 3.42Å; D116-K146 WeakPolarHBondContact OD2-CE 3.37Å; D116-K146 IonicContact OD2-NZ 2.74Å; D116-K146 PolarHBondContact OD2-NZ 3.25Å | ||
| 117 | L | 69.2 | Low | 73.6 | Confident | 83 Ų | 83 | 68.2 Ų | 68.2 | 44% | 0.435 | 37% | 0.374 | S | S | . | . | trans | -50 | 123.8 | 173.3 | -165.7 | 82.4 | 0 | 0 | 0 | 107 | D115 K119 M188 I196 | D115-L117 PolarHBondContact O-N 2.76Å; L117-K119 PolarHBondContact O-N 3.11Å; L117-M188 HydrophobicContact CD1-CE 3.96Å; L117-M188 HydrophobicContact CD2-CE 3.69Å; L117-M188 HydrophobicContact CD2-SD 4.08Å; L117-M188 HydrophobicContact CG-CE 3.93Å; L117-M188 HydrophobicContact CG-SD 4.49Å; L117-I196 HydrophobicContact CD1-CD1 3.21Å; L117-I196 HydrophobicContact CD1-CG1 4.26Å; L117-I196 HydrophobicContact CG-CD1 3.93Å | ||
| 118 | P | 76 | Confident | 73.4 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 37% | 0.374 | C | S | . | . | trans | -55.6 | 114.6 | 174.9 | 21.1 | -32.4 | 0 | 0 | 0 | 108.7 | V124 V143 Y152 V185 I196 | P118-V124 HydrophobicContact CB-CG1 4.31Å; P118-V143 HydrophobicContact CB-CG2 4.06Å; P118-Y152 VanDerWaalsContact CD-CE2 3.44Å; P118-Y152 HydrophobicContact CG-CD2 4.02Å; P118-Y152 HydrophobicContact CG-CE2 4.24Å; P118-V185 HydrophobicContact CB-CG2 4.17Å; P118-I196 HydrophobicContact CG-CD1 3.78Å; P118-I196 HydrophobicContact CG-CG2 4.11Å | ||
| 119 | K | 79.3 | Confident | 73.6 | Confident | 151 Ų | 151 | 69.6 Ų | 69.6 | 66% | 0.657 | 38% | 0.382 | S | S | * | . | trans | -83.6 | 154.5 | 176.2 | -64 | -179.4 | -178 | 176.2 | 0 | 109.2 | L117 G121 S122 | L117-K119 PolarHBondContact O-N 3.11Å; K119-G121 PolarHBondContact O-N 3.34Å; K119-S122 VanDerWaalsContact O-CB 3.3Å; K119-S122 WeakPolarHBondContact O-CB 3.4Å; K119-S122 PolarHBondContact O-N 2.92Å; K119-S122 PolarHBondContact O-OG 3.02Å | ||
| 120 | I | 83 | Confident | 73.9 | Confident | 122 Ų | 122 | 70.5 Ų | 70.5 | 63% | 0.626 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 128 | 170.9 | -62 | 166.9 | 0 | 0 | 0 | 108.2 | H186 M188 | I120-H186 VanDerWaalsContact CG2-O 3.29Å; I120-H186 WeakPolarHBondContact CG2-O 3.44Å; I120-M188 HydrophobicContact CG1-CB 4.39Å |
| 121 | G | 81.3 | Confident | 74.7 | Confident | 35 Ų | 35 | 66 Ų | 66 | 36% | 0.361 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.7 | -7.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | K119 K184 V185 | K119-G121 PolarHBondContact O-N 3.34Å; G121-K184 WeakPolarHBondContact O-CE 3.25Å; G121-V185 PolarHBondContact N-O 2.84Å |
| 122 | S | 81 | Confident | 76.1 | Confident | 25 Ų | 25 | 59.8 Ų | 59.8 | 18% | 0.175 | 34% | 0.337 | C | S | . | . | trans | -69.6 | 142.6 | 174.9 | -63.2 | 0 | 0 | 0 | 0 | 111.7 | K119 V185 | K119-S122 VanDerWaalsContact O-CB 3.3Å; K119-S122 WeakPolarHBondContact O-CB 3.4Å; K119-S122 PolarHBondContact O-N 2.92Å; K119-S122 PolarHBondContact O-OG 3.02Å; S122-V185 PolarHBondContact O-N 2.88Å; S122-V185 VanDerWaalsContact O-N 3.08Å | ||
| 123 | L | 81.9 | Confident | 77.5 | Confident | 62 Ų | 62 | 58.6 Ų | 58.6 | 33% | 0.325 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 133.2 | 170.3 | -66.9 | 172.2 | 0 | 0 | 0 | 109.4 | M144 A183 K184 | L123-M144 HydrophobicContact CB-SD 3.85Å; L123-M144 HydrophobicContact CG-SD 4.44Å; L123-M144 PolarHBondContact O-N 3.16Å; L123-A183 WeakPolarHBondContact CA-O 3.42Å; L123-K184 HydrophobicContact CD2-CB 4.21Å |
| 124 | V | 83.5 | Confident | 78.9 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 140.9 | -177.9 | -67.3 | 0 | 0 | 0 | 0 | 110.3 | P118 C126 I140 A142 V143 A183 V185 | P118-V124 HydrophobicContact CB-CG1 4.31Å; V124-C126 VanDerWaalsContact CG2-SG 3.59Å; V124-I140 HydrophobicContact CB-CG2 4.04Å; V124-I140 HydrophobicContact CG1-CG2 4.17Å; V124-A142 CarbonylContact C-O 3.54Å; V124-A142 WeakPolarHBondContact CA-O 3.46Å; V124-V143 HydrophobicContact CG1-CB 4.48Å; V124-V143 HydrophobicContact CG1-CG1 4.38Å; V124-V143 HydrophobicContact CG1-CG2 4.03Å; V124-A183 HydrophobicContact CG2-CB 4.24Å; V124-A183 VanDerWaalsContact CG2-O 3.25Å; V124-A183 WeakPolarHBondContact CG2-O 3.44Å; V124-A183 PolarHBondContact N-O 3.13Å; V124-A183 PolarHBondContact O-N 3.27Å; V124-V185 HydrophobicContact CB-CG2 4.41Å; V124-V185 HydrophobicContact CG1-CG2 3.62Å; V124-V185 HydrophobicContact CG2-CG2 3.82Å |
| 125 | T | 85.5 | Confident | 80.3 | Confident | 44 Ų | 44 | 62 Ų | 62 | 27% | 0.27 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 118.6 | 171.4 | -58.3 | 0 | 0 | 0 | 0 | 108.4 | L141 A142 I180 | T125-L141 PolarHBondContact O-N 2.79Å; T125-A142 PolarHBondContact N-O 2.7Å; T125-A142 PolarHBondContact O-N 2.91Å; T125-I180 HydrophobicContact CG2-CG2 3.48Å; T125-I180 VanDerWaalsContact CG2-CG2 3.48Å |
| 126 | C | 83.4 | Confident | 81.5 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.014 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 139.2 | -172.9 | -60.1 | 0 | 0 | 0 | 0 | 110.5 | V124 C138 A139 I140 I180 V181 | V124-C126 VanDerWaalsContact CG2-SG 3.59Å; C126-C138 HydrophobicContact CB-CB 4.07Å; C126-A139 CarbonylContact C-O 3.57Å; C126-A139 WeakPolarHBondContact CA-O 3.45Å; C126-I140 VanDerWaalsContact SG-CG1 3.6Å; C126-I180 CarbonylContact O-C 3.59Å; C126-I180 WeakPolarHBondContact O-CA 3.42Å; C126-V181 HydrophobicContact CB-CG2 3.95Å; C126-V181 PolarHBondContact N-O 3.06Å; C126-V181 PolarHBondContact O-N 3.33Å |
| 127 | R | 86.6 | Confident | 82.7 | Confident | 129 Ų | 129 | 55.8 Ų | 55.8 | 49% | 0.487 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 129.1 | 167.8 | -179.6 | 180 | -178.1 | -171.8 | 0 | 109.5 | L129 C138 A139 L141 D179 | R127-L129 PolarHBondContact O-N 2.76Å; R127-C138 CarbonylContact O-C 3.56Å; R127-C138 VanDerWaalsContact O-CA 3.23Å; R127-C138 WeakPolarHBondContact O-CA 3.29Å; R127-A139 PolarHBondContact N-O 2.87Å; R127-A139 PolarHBondContact O-N 3.31Å; R127-L141 HydrophobicContact CB-CD1 3.87Å; R127-L141 HydrophobicContact CB-CG 4.26Å; R127-D179 WeakPolarHBondContact CA-O 3.45Å |
| 128 | I | 86.3 | Confident | 83.4 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 128.1 | 176.1 | -66.3 | 115.3 | 0 | 0 | 0 | 110.3 | V131 A136 C138 V175 G176 G178 D179 V181 | I128-V131 HydrophobicContact CG2-CG2 3.39Å; I128-A136 HydrophobicContact CG2-CB 4.37Å; I128-C138 VanDerWaalsContact CG1-SG 3.58Å; I128-V175 HydrophobicContact CB-CG1 4.08Å; I128-V175 HydrophobicContact CD1-CB 4.48Å; I128-V175 HydrophobicContact CD1-CG1 3.15Å; I128-V175 HydrophobicContact CG1-CG1 3.46Å; I128-V175 VanDerWaalsContact CG1-CG1 3.46Å; I128-V175 HydrophobicContact CG2-CG1 3.96Å; I128-G176 WeakPolarHBondContact CG2-O 3.31Å; I128-G178 WeakPolarHBondContact O-CA 3.31Å; I128-G178 PolarHBondContact O-N 3.49Å; I128-D179 HydrophobicContact CD1-CB 3.97Å; I128-D179 VanDerWaalsContact CD1-O 3.3Å; I128-D179 WeakPolarHBondContact CD1-O 3.43Å; I128-D179 PolarHBondContact N-O 2.61Å; I128-V181 HydrophobicContact CD1-CB 4.18Å; I128-V181 HydrophobicContact CD1-CG1 3.46Å; I128-V181 VanDerWaalsContact CD1-CG1 3.46Å; I128-V181 HydrophobicContact CD1-CG2 3.71Å; I128-V181 HydrophobicContact CG1-CG2 4.36Å |
| 129 | L | 88 | Confident | 83.9 | Confident | 97 Ų | 97 | 52.5 Ų | 52.5 | 51% | 0.508 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -56.1 | 177.4 | -62 | 178.2 | 0 | 0 | 0 | 110.3 | R127 T137 A139 | R127-L129 PolarHBondContact O-N 2.76Å; L129-T137 PolarHBondContact N-O 2.8Å; L129-A139 HydrophobicContact CD1-CB 4.16Å; L129-A139 HydrophobicContact CD2-CB 4.26Å; L129-A139 HydrophobicContact CG-CB 4.24Å |
| 130 | N | 88.4 | Confident | 84.2 | Confident | 99 Ų | 99 | 45.3 Ų | 45.3 | 53% | 0.529 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 145 | -178.4 | -164.7 | 6.2 | 0 | 0 | 0 | 110.8 | A136 T137 | N130-A136 CarbonylContact O-C 3.59Å; N130-A136 WeakPolarHBondContact O-CA 3.45Å; N130-T137 WeakPolarHBondContact CB-OG1 3.47Å; N130-T137 PolarHBondContact N-O 2.95Å; N130-T137 PolarHBondContact N-OG1 3.45Å; N130-T137 PolarHBondContact O-N 3Å; N130-T137 PolarHBondContact O-OG1 2.68Å |
| 131 | V | 86 | Confident | 84.3 | Confident | 21 Ų | 21 | 43 Ų | 43 | 13% | 0.127 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 123.4 | -179 | -173.2 | 0 | 0 | 0 | 0 | 109.2 | I128 A136 V171 L172 V175 | I128-V131 HydrophobicContact CG2-CG2 3.39Å; V131-A136 HydrophobicContact CG1-CB 4.45Å; V131-A136 HydrophobicContact CG2-CB 4.27Å; V131-V171 HydrophobicContact CG1-CB 4.35Å; V131-V171 HydrophobicContact CG1-CG1 3.92Å; V131-L172 HydrophobicContact CB-CD2 4.18Å; V131-L172 HydrophobicContact CG1-CD2 3.68Å; V131-L172 HydrophobicContact CG1-CG 4.17Å; V131-V175 HydrophobicContact CG2-CG1 4.14Å |
| 132 | T | 86.9 | Confident | 84.5 | Confident | 51 Ų | 51 | 42.2 Ų | 42.2 | 31% | 0.313 | 23% | 0.23 | S | C | . | . | trans | -107.6 | 165.5 | 168.8 | -53.3 | 0 | 0 | 0 | 0 | 108.8 | S134 Y135 | T132-S134 PolarHBondContact O-N 3.29Å; T132-Y135 WeakPolarHBondContact CA-O 3.31Å; T132-Y135 WeakPolarHBondContact CB-O 3.37Å; T132-Y135 HydrophobicContact CG2-CE1 4.21Å; T132-Y135 PolarHBondContact N-O 3.42Å | ||
| 133 | A | 81.5 | Confident | 84.7 | Confident | 45 Ų | 45 | 41.4 Ų | 41.4 | 37% | 0.372 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -56.8 | -31.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L172 | A133-L172 HydrophobicContact CB-CD1 4.14Š|
| 134 | S | 80.5 | Confident | 84.7 | Confident | 56 Ų | 56 | 43.6 Ų | 43.6 | 39% | 0.392 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -101.4 | -28.7 | -174.1 | -55.9 | 0 | 0 | 0 | 0 | 114.8 | T132 K158 | T132-S134 PolarHBondContact O-N 3.29Å; S134-K158 PolarHBondContact O-N 3.48Å |
| 135 | Y | 81.2 | Confident | 84.5 | Confident | 109 Ų | 109 | 51.3 Ų | 51.3 | 43% | 0.427 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 154.3 | -176.3 | 62.7 | -92.1 | 0 | 0 | 0 | 111.4 | T132 T137 V155 I156 | T132-Y135 WeakPolarHBondContact CA-O 3.31Å; T132-Y135 WeakPolarHBondContact CB-O 3.37Å; T132-Y135 HydrophobicContact CG2-CE1 4.21Å; T132-Y135 PolarHBondContact N-O 3.42Å; Y135-T137 HydrophobicContact CD2-CG2 4.24Å; Y135-T137 HydrophobicContact CE2-CG2 4.15Å; Y135-V155 HydrophobicContact CD2-CG1 4.38Å; Y135-I156 CarbonylContact C-O 3.54Å; Y135-I156 WeakPolarHBondContact CA-O 3.14Å |
| 136 | A | 80.3 | Confident | 84.3 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 130.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | I128 N130 V131 V155 I156 V171 | I128-A136 HydrophobicContact CG2-CB 4.37Å; N130-A136 CarbonylContact O-C 3.59Å; N130-A136 WeakPolarHBondContact O-CA 3.45Å; V131-A136 HydrophobicContact CG1-CB 4.45Å; V131-A136 HydrophobicContact CG2-CB 4.27Å; A136-V155 WeakPolarHBondContact O-CA 3.41Å; A136-I156 HydrophobicContact CB-CB 4.43Å; A136-I156 PolarHBondContact N-O 2.9Å; A136-I156 PolarHBondContact O-N 3.19Å; A136-V171 HydrophobicContact CB-CG1 3.92Å |
| 137 | T | 86.1 | Confident | 84.2 | Confident | 39 Ų | 39 | 58.7 Ų | 58.7 | 24% | 0.239 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 134.8 | 173.3 | 60.4 | 0 | 0 | 0 | 0 | 109.4 | L129 N130 Y135 | L129-T137 PolarHBondContact N-O 2.8Å; N130-T137 WeakPolarHBondContact CB-OG1 3.47Å; N130-T137 PolarHBondContact N-O 2.95Å; N130-T137 PolarHBondContact N-OG1 3.45Å; N130-T137 PolarHBondContact O-N 3Å; N130-T137 PolarHBondContact O-OG1 2.68Å; Y135-T137 HydrophobicContact CD2-CG2 4.24Å; Y135-T137 HydrophobicContact CE2-CG2 4.15Å |
| 138 | C | 84.5 | Confident | 83.9 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.007 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 149.7 | -173.5 | -53.4 | 0 | 0 | 0 | 0 | 110.8 | C126 R127 I128 S153 G154 I156 | C126-C138 HydrophobicContact CB-CB 4.07Å; R127-C138 CarbonylContact O-C 3.56Å; R127-C138 VanDerWaalsContact O-CA 3.23Å; R127-C138 WeakPolarHBondContact O-CA 3.29Å; I128-C138 VanDerWaalsContact CG1-SG 3.58Å; C138-S153 CarbonylContact O-C 3.53Å; C138-S153 WeakPolarHBondContact O-CA 3.29Å; C138-G154 PolarHBondContact N-O 3.14Å; C138-G154 PolarHBondContact O-N 2.91Å; C138-I156 WeakPolarHBondContact SG-CD1 3.44Å |
| 139 | A | 87 | Confident | 83.3 | Confident | 13 Ų | 13 | 56.6 Ų | 56.6 | 11% | 0.107 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 122.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | C126 R127 L129 L141 P151 Y152 | C126-A139 CarbonylContact C-O 3.57Å; C126-A139 WeakPolarHBondContact CA-O 3.45Å; R127-A139 PolarHBondContact N-O 2.87Å; R127-A139 PolarHBondContact O-N 3.31Å; L129-A139 HydrophobicContact CD1-CB 4.16Å; L129-A139 HydrophobicContact CD2-CB 4.26Å; L129-A139 HydrophobicContact CG-CB 4.24Å; A139-L141 PolarHBondContact O-N 2.87Å; A139-P151 HydrophobicContact CB-CB 4.5Å; A139-Y152 CarbonylContact C-O 3.47Å; A139-Y152 WeakPolarHBondContact CA-O 3.31Å |
| 140 | I | 85.3 | Confident | 82.7 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 120.1 | 172.4 | -62.9 | 159.7 | 0 | 0 | 0 | 107.6 | V124 C126 V143 Y152 C198 | V124-I140 HydrophobicContact CB-CG2 4.04Å; V124-I140 HydrophobicContact CG1-CG2 4.17Å; C126-I140 VanDerWaalsContact SG-CG1 3.6Å; I140-V143 HydrophobicContact CG2-CG2 4.37Å; I140-Y152 PolarHBondContact N-O 3.2Å; I140-C198 HydrophobicContact CD1-CB 4.21Å; I140-C198 VanDerWaalsContact CD1-SG 3.54Å |
| 141 | L | 85.7 | Confident | 82.1 | Confident | 74 Ų | 74 | 56.9 Ų | 56.9 | 39% | 0.387 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | -36.9 | -179.6 | -60.6 | 179.3 | 0 | 0 | 0 | 111.7 | T125 R127 A139 V148 | T125-L141 PolarHBondContact O-N 2.79Å; R127-L141 HydrophobicContact CB-CD1 3.87Å; R127-L141 HydrophobicContact CB-CG 4.26Å; A139-L141 PolarHBondContact O-N 2.87Å; L141-V148 PolarHBondContact O-N 2.84Å |
| 142 | A | 84.7 | Confident | 81.9 | Confident | 18 Ų | 18 | 56.7 Ų | 56.7 | 15% | 0.149 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 143.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111 | V124 T125 K146 | V124-A142 CarbonylContact C-O 3.54Å; V124-A142 WeakPolarHBondContact CA-O 3.46Å; T125-A142 PolarHBondContact N-O 2.7Å; T125-A142 PolarHBondContact O-N 2.91Å; A142-K146 CarbonylContact C-O 3.53Å; A142-K146 VanDerWaalsContact CA-O 3.28Å; A142-K146 WeakPolarHBondContact CA-O 3.31Å; A142-K146 WeakPolarHBondContact CB-O 3.46Å |
| 143 | V | 84.6 | Confident | 81.7 | Confident | 9 Ų | 9 | 56.7 Ų | 56.7 | 6% | 0.055 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 121.5 | 168.8 | -178.9 | 0 | 0 | 0 | 0 | 106.5 | P118 V124 I140 N145 K146 V148 | P118-V143 HydrophobicContact CB-CG2 4.06Å; V124-V143 HydrophobicContact CG1-CB 4.48Å; V124-V143 HydrophobicContact CG1-CG1 4.38Å; V124-V143 HydrophobicContact CG1-CG2 4.03Å; I140-V143 HydrophobicContact CG2-CG2 4.37Å; V143-N145 PolarHBondContact O-N 2.89Å; V143-N145 VanDerWaalsContact O-N 3.15Å; V143-K146 PolarHBondContact N-O 2.89Å; V143-K146 PolarHBondContact O-N 3.03Å; V143-V148 HydrophobicContact CB-CG2 4.42Å; V143-V148 HydrophobicContact CG2-CG2 3.67Å |
| 144 | M | 82 | Confident | 81.6 | Confident | 107 Ų | 107 | 54.7 Ų | 54.7 | 53% | 0.527 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | -116.7 | -172.6 | -58.1 | -70.4 | -65.5 | 0 | 0 | 110.9 | L123 | L123-M144 HydrophobicContact CB-SD 3.85Å; L123-M144 HydrophobicContact CG-SD 4.44Å; L123-M144 PolarHBondContact O-N 3.16Å |
| 145 | N | 79.6 | Confident | 81.6 | Confident | 162 Ų | 162 | 53.2 Ų | 53.2 | 87% | 0.866 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | 7.2 | -179 | -64.5 | -13.7 | 0 | 0 | 0 | 113.1 | V143 | V143-N145 PolarHBondContact O-N 2.89Å; V143-N145 VanDerWaalsContact O-N 3.15Å |
| 146 | K | 81.3 | Confident | 81.6 | Confident | 114 Ų | 114 | 48.1 Ų | 48.1 | 50% | 0.496 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 125.8 | -176.3 | -67.6 | 175.8 | -178.7 | -178.1 | 0 | 110.3 | D116 A142 V143 | D116-K146 WeakPolarHBondContact OD2-CD 3.42Å; D116-K146 WeakPolarHBondContact OD2-CE 3.37Å; D116-K146 IonicContact OD2-NZ 2.74Å; D116-K146 PolarHBondContact OD2-NZ 3.25Å; A142-K146 CarbonylContact C-O 3.53Å; A142-K146 VanDerWaalsContact CA-O 3.28Å; A142-K146 WeakPolarHBondContact CA-O 3.31Å; A142-K146 WeakPolarHBondContact CB-O 3.46Å; V143-K146 PolarHBondContact N-O 2.89Å; V143-K146 PolarHBondContact O-N 3.03Å |
| 147 | P | 82.6 | Confident | 81.3 | Confident | 88 Ų | 88 | 52.6 Ų | 52.6 | 57% | 0.571 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 146.5 | 171.5 | 29.7 | -33.6 | 0 | 0 | 0 | 109.1 | S113 | S113-P147 WeakPolarHBondContact CB-O 3.37Å; S113-P147 PolarHBondContact OG-O 2.72Å |
| 148 | V | 79.9 | Confident | 80.6 | Confident | 22 Ų | 22 | 54.9 Ų | 54.9 | 13% | 0.133 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 132.8 | 172.9 | -170 | 0 | 0 | 0 | 0 | 108.2 | L141 V143 K150 Y152 | L141-V148 PolarHBondContact O-N 2.84Å; V143-V148 HydrophobicContact CB-CG2 4.42Å; V143-V148 HydrophobicContact CG2-CG2 3.67Å; V148-K150 VanDerWaalsContact C-N 3.29Å; V148-K150 WeakPolarHBondContact CG1-O 3.48Å; V148-K150 PolarHBondContact O-N 3.15Å; V148-Y152 HydrophobicContact CB-CE2 4.41Å; V148-Y152 HydrophobicContact CG1-CD2 3.83Å; V148-Y152 HydrophobicContact CG1-CE2 3.34Å; V148-Y152 HydrophobicContact CG2-CD2 4.39Å; V148-Y152 HydrophobicContact CG2-CE2 4.3Å |
| 149 | S | 72.9 | Confident | 79.9 | Confident | 64 Ų | 64 | 58.7 Ų | 58.7 | 45% | 0.448 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | -37.1 | 177.6 | -176.5 | 0 | 0 | 0 | 0 | 112.3 | ||
| 150 | K | 75.8 | Confident | 78.8 | Confident | 111 Ų | 111 | 59.8 Ų | 59.8 | 48% | 0.483 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 128.2 | 178.9 | -65.6 | 169.8 | -172.7 | 153.3 | 0 | 109.8 | V148 Y152 | V148-K150 VanDerWaalsContact C-N 3.29Å; V148-K150 WeakPolarHBondContact CG1-O 3.48Å; V148-K150 PolarHBondContact O-N 3.15Å; K150-Y152 PolarHBondContact O-N 3.12Å |
| 151 | P | 75.2 | Confident | 77.6 | Confident | 90 Ų | 90 | 60.7 Ų | 60.7 | 58% | 0.584 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 122.7 | 176.7 | 27.8 | -33.2 | 0 | 0 | 0 | 110 | A139 | A139-P151 HydrophobicContact CB-CB 4.5Å |
| 152 | Y | 81.9 | Confident | 76.4 | Confident | 18 Ų | 18 | 58.8 Ų | 58.8 | 7% | 0.071 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 146.2 | 169.1 | -60.5 | -65 | 0 | 0 | 0 | 109.9 | P118 A139 I140 V148 K150 I196 | P118-Y152 VanDerWaalsContact CD-CE2 3.44Å; P118-Y152 HydrophobicContact CG-CD2 4.02Å; P118-Y152 HydrophobicContact CG-CE2 4.24Å; A139-Y152 CarbonylContact C-O 3.47Å; A139-Y152 WeakPolarHBondContact CA-O 3.31Å; I140-Y152 PolarHBondContact N-O 3.2Å; V148-Y152 HydrophobicContact CB-CE2 4.41Å; V148-Y152 HydrophobicContact CG1-CD2 3.83Å; V148-Y152 HydrophobicContact CG1-CE2 3.34Å; V148-Y152 HydrophobicContact CG2-CD2 4.39Å; V148-Y152 HydrophobicContact CG2-CE2 4.3Å; K150-Y152 PolarHBondContact O-N 3.12Å; Y152-I196 HydrophobicContact CD1-CB 3.98Å; Y152-I196 HydrophobicContact CD1-CD1 3.46Å; Y152-I196 VanDerWaalsContact CD1-CD1 3.46Å; Y152-I196 HydrophobicContact CD1-CG1 3.8Å; Y152-I196 HydrophobicContact CD2-CD1 4.35Å; Y152-I196 HydrophobicContact CE1-CD1 3.27Å; Y152-I196 HydrophobicContact CE1-CG1 3.93Å; Y152-I196 HydrophobicContact CE2-CD1 4.17Å; Y152-I196 HydrophobicContact CG-CB 4.36Å; Y152-I196 HydrophobicContact CG-CD1 4.02Å |
| 153 | S | 82.3 | Confident | 75.2 | Confident | 51 Ų | 51 | 64.5 Ų | 64.5 | 36% | 0.357 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 115.7 | -177.1 | -172.8 | 0 | 0 | 0 | 0 | 110.8 | C138 R197 | C138-S153 CarbonylContact O-C 3.53Å; C138-S153 WeakPolarHBondContact O-CA 3.29Å; S153-R197 VanDerWaalsContact O-CA 3.31Å; S153-R197 WeakPolarHBondContact O-CA 3.25Å |
| 154 | G | 80.9 | Confident | 73.8 | Confident | 3 Ų | 3 | 73.1 Ų | 73.1 | 3% | 0.031 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 157.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | C138 C198 | C138-G154 PolarHBondContact N-O 3.14Å; C138-G154 PolarHBondContact O-N 2.91Å; G154-C198 CarbonylContact C-O 3.58Å; G154-C198 WeakPolarHBondContact CA-O 3.35Å |
| 155 | V | 80.8 | Confident | 72.7 | Confident | 24 Ų | 24 | 76.1 Ų | 76.1 | 15% | 0.145 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 127.3 | 170.4 | -177.8 | 0 | 0 | 0 | 0 | 107.9 | Y135 A136 R157 C198 E199 | Y135-V155 HydrophobicContact CD2-CG1 4.38Å; A136-V155 WeakPolarHBondContact O-CA 3.41Å; V155-R157 HydrophobicContact CG1-CG 4.17Å; V155-C198 PolarHBondContact N-O 2.98Å; V155-E199 CarbonylContact O-C 3.44Å; V155-E199 VanDerWaalsContact O-C 3.28Å |
| 156 | I | 79.6 | Confident | 71.9 | Confident | 3 Ų | 3 | 75.1 Ų | 75.1 | 2% | 0.015 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 119.2 | 173.3 | -56.5 | 176.8 | 0 | 0 | 0 | 106.9 | Y135 A136 C138 T161 V181 C201 I203 | Y135-I156 CarbonylContact C-O 3.54Å; Y135-I156 WeakPolarHBondContact CA-O 3.14Å; A136-I156 HydrophobicContact CB-CB 4.43Å; A136-I156 PolarHBondContact N-O 2.9Å; A136-I156 PolarHBondContact O-N 3.19Å; C138-I156 WeakPolarHBondContact SG-CD1 3.44Å; I156-T161 HydrophobicContact CG2-CG2 3.54Å; I156-V181 HydrophobicContact CD1-CG2 4.08Å; I156-C201 HydrophobicContact CG1-CB 3.97Å; I156-I203 HydrophobicContact CD1-CD1 4.5Å; I156-I203 HydrophobicContact CG2-CD1 4.4Å |
| 157 | R | 75.3 | Confident | 70.6 | Confident | 94 Ų | 94 | 79 Ų | 79 | 36% | 0.355 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 152.3 | 178.1 | -53.2 | -172.8 | -176 | -168.3 | 4.3 | 111 | V155 E159 D160 E199 | V155-R157 HydrophobicContact CG1-CG 4.17Å; R157-E159 HydrophobicContact CB-CG 3.96Å; R157-E159 WeakPolarHBondContact CB-OE1 3.46Å; R157-E159 WeakPolarHBondContact CB-OE2 3.25Å; R157-E159 WeakPolarHBondContact CD-OE1 3.39Å; R157-E159 IonicContact NH1-OE1 2.86Å; R157-E159 PolarHBondContact O-N 2.81Å; R157-D160 PolarHBondContact O-N 2.86Å; R157-D160 VanDerWaalsContact O-N 3.14Å; R157-E199 IonicContact CZ-OE2 3.88Å; R157-E199 IonicContact NH2-OE2 3.69Å; R157-E199 PolarHBondContact NH2-OE2 3.27Å |
| 158 | K | 71.1 | Confident | 69.4 | Low | 86 Ų | 86 | 81.2 Ų | 81.2 | 37% | 0.374 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -55.2 | -36.9 | -178.8 | 62 | 175.7 | -177.7 | 177 | 0 | 112.6 | S134 D160 T161 V171 | S134-K158 PolarHBondContact O-N 3.48Å; K158-D160 PolarHBondContact O-N 3.48Å; K158-T161 PolarHBondContact O-N 2.9Å; K158-T161 PolarHBondContact O-OG1 3.17Å; K158-V171 HydrophobicContact CB-CG2 3.88Å |
| 159 | E | 69.5 | Low | 68.5 | Low | 81 Ų | 81 | 80.5 Ų | 80.5 | 38% | 0.379 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.5 | -24.9 | -178.1 | 52.5 | -93.7 | -145.4 | 0 | 0 | 113.8 | R157 | R157-E159 HydrophobicContact CB-CG 3.96Å; R157-E159 WeakPolarHBondContact CB-OE1 3.46Å; R157-E159 WeakPolarHBondContact CB-OE2 3.25Å; R157-E159 WeakPolarHBondContact CD-OE1 3.39Å; R157-E159 IonicContact NH1-OE1 2.86Å; R157-E159 PolarHBondContact O-N 2.81Å |
| 160 | D | 64.6 | Low | 68.2 | Low | 36 Ų | 36 | 81.1 Ų | 81.1 | 19% | 0.193 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -97.4 | -14.3 | -177.3 | -52.5 | -42.4 | 0 | 0 | 0 | 113.1 | R157 K158 E200 | R157-D160 PolarHBondContact O-N 2.86Å; R157-D160 VanDerWaalsContact O-N 3.14Å; K158-D160 PolarHBondContact O-N 3.48Å; D160-E200 WeakPolarHBondContact OD2-CG 3.43Å |
| 161 | T | 59.8 | Low | 68 | Low | 20 Ų | 20 | 75.9 Ų | 75.9 | 12% | 0.123 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -79.8 | -25.6 | -173 | 54.9 | 0 | 0 | 0 | 0 | 114.2 | I156 K158 I203 | I156-T161 HydrophobicContact CG2-CG2 3.54Å; K158-T161 PolarHBondContact O-N 2.9Å; K158-T161 PolarHBondContact O-OG1 3.17Å; T161-I203 HydrophobicContact CG2-CD1 4.19Å |
| 162 | V | 60.1 | Low | 67.9 | Low | 33 Ų | 33 | 75.9 Ų | 75.9 | 20% | 0.2 | 37% | 0.365 | C | S | . | . | trans | -137.4 | 108.2 | -171.7 | -171.9 | 0 | 0 | 0 | 0 | 111.8 | K164 R165 A169 F174 | V162-K164 PolarHBondContact O-N 3.29Å; V162-R165 HydrophobicContact CG1-CB 4.4Å; V162-A169 HydrophobicContact CB-CB 4.31Å; V162-A169 HydrophobicContact CG2-CB 3.61Å; V162-F174 HydrophobicContact CG2-CE2 4.44Å | ||
| 163 | T | 60 | Low | 67.5 | Low | 138 Ų | 138 | 82.2 Ų | 82.2 | 85% | 0.847 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -61.6 | -27 | 175.2 | -49.2 | 0 | 0 | 0 | 0 | 112.9 | ||
| 164 | K | 55.5 | Low | 66.7 | Low | 191 Ų | 191 | 85 Ų | 85 | 83% | 0.83 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -107.9 | -17.5 | -166.2 | -64.7 | -177.2 | 179.8 | 177.1 | 0 | 116.3 | V162 | V162-K164 PolarHBondContact O-N 3.29Š|
| 165 | R | 58 | Low | 66.2 | Low | 170 Ų | 170 | 85.2 Ų | 85.2 | 64% | 0.642 | 40% | 0.399 | S | S | * | . | trans | -153.5 | 76.4 | 179 | -67.7 | -168.9 | -175.8 | 177.6 | 4.5 | 112.3 | V162 E167 | V162-R165 HydrophobicContact CG1-CB 4.4Å; R165-E167 PolarHBondContact O-N 3.36Å | ||
| 166 | K | 61.9 | Low | 66 | Low | 140 Ų | 140 | 84.7 Ų | 84.7 | 61% | 0.609 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -30.3 | -178.2 | -64.8 | -176.6 | 177.5 | -175.7 | 0 | 114.4 | ||
| 167 | E | 54 | Low | 66.3 | Low | 197 Ų | 197 | 88.8 Ų | 88.8 | 92% | 0.921 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -16.7 | -170.1 | -59.3 | -143.1 | 149 | 0 | 0 | 115.3 | R165 | R165-E167 PolarHBondContact O-N 3.36Š|
| 168 | Q | 59 | Low | 66.7 | Low | 133 Ų | 133 | 85.8 Ų | 85.8 | 62% | 0.621 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.2 | 0.1 | -175.6 | -67 | 179.2 | 5.8 | 0 | 0 | 113.7 | N170 | Q168-N170 PolarHBondContact O-N 2.95Š|
| 169 | A | 60.4 | Low | 67.2 | Low | 7 Ų | 7 | 82.1 Ų | 82.1 | 6% | 0.058 | 41% | 0.41 | C | S | . | . | trans | -85.5 | 103.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | V162 F174 | V162-A169 HydrophobicContact CB-CB 4.31Å; V162-A169 HydrophobicContact CG2-CB 3.61Å; A169-F174 HydrophobicContact CB-CE2 4.11Å | ||
| 170 | N | 67 | Low | 67.9 | Low | 78 Ų | 78 | 80.1 Ų | 80.1 | 42% | 0.417 | 40% | 0.402 | S | S | . | . | trans | -83.7 | 119.4 | 163.2 | -70.8 | -16 | 0 | 0 | 0 | 108.1 | Q168 L172 K173 F174 | Q168-N170 PolarHBondContact O-N 2.95Å; N170-L172 PolarHBondContact O-N 2.81Å; N170-L172 VanDerWaalsContact O-N 3.13Å; N170-K173 HydrophobicContact CB-CD 4.27Å; N170-K173 HydrophobicContact CB-CG 4.13Å; N170-K173 WeakPolarHBondContact O-CB 3.2Å; N170-K173 PolarHBondContact O-N 2.9Å; N170-F174 WeakPolarHBondContact O-CD2 3.42Å | ||
| 171 | V | 70.5 | Confident | 68.6 | Low | 1 Ų | 1 | 79 Ų | 79 | 1% | 0.006 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -54.8 | -35 | 178.9 | -176.1 | 0 | 0 | 0 | 0 | 111.3 | V131 A136 K158 K173 F174 V175 | V131-V171 HydrophobicContact CG1-CB 4.35Å; V131-V171 HydrophobicContact CG1-CG1 3.92Å; A136-V171 HydrophobicContact CB-CG1 3.92Å; K158-V171 HydrophobicContact CB-CG2 3.88Å; V171-K173 PolarHBondContact O-N 2.93Å; V171-F174 PolarHBondContact O-N 2.86Å; V171-V175 HydrophobicContact CG1-CB 4.44Å; V171-V175 PolarHBondContact O-N 3.21Å; V171-V175 VanDerWaalsContact O-N 3.08Å |
| 172 | L | 74.3 | Confident | 69.6 | Low | 89 Ų | 89 | 82.2 Ų | 82.2 | 47% | 0.466 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -54.8 | -23.4 | 175.2 | -67.8 | 164.5 | 0 | 0 | 0 | 114.8 | V131 A133 N170 | V131-L172 HydrophobicContact CB-CD2 4.18Å; V131-L172 HydrophobicContact CG1-CD2 3.68Å; V131-L172 HydrophobicContact CG1-CG 4.17Å; A133-L172 HydrophobicContact CB-CD1 4.14Å; N170-L172 PolarHBondContact O-N 2.81Å; N170-L172 VanDerWaalsContact O-N 3.13Å |
| 173 | K | 71.9 | Confident | 70.5 | Confident | 151 Ų | 151 | 80.8 Ų | 80.8 | 66% | 0.657 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -81.8 | -29.3 | 178.6 | -69 | -179.6 | 179.3 | 177.4 | 0 | 112.7 | N170 V171 | N170-K173 HydrophobicContact CB-CD 4.27Å; N170-K173 HydrophobicContact CB-CG 4.13Å; N170-K173 WeakPolarHBondContact O-CB 3.2Å; N170-K173 PolarHBondContact O-N 2.9Å; V171-K173 PolarHBondContact O-N 2.93Å |
| 174 | F | 66.9 | Low | 71.4 | Confident | 110 Ų | 110 | 78.3 Ų | 78.3 | 48% | 0.482 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -100.5 | -26.5 | -172.3 | -60.9 | -76.5 | 0 | 0 | 0 | 112.9 | V162 A169 N170 V171 | V162-F174 HydrophobicContact CG2-CE2 4.44Å; A169-F174 HydrophobicContact CB-CE2 4.11Å; N170-F174 WeakPolarHBondContact O-CD2 3.42Å; V171-F174 PolarHBondContact O-N 2.86Å |
| 175 | V | 70.3 | Confident | 72.6 | Confident | 8 Ų | 8 | 69.2 Ų | 69.2 | 5% | 0.048 | 34% | 0.342 | C | S | . | . | trans | -137.3 | 128 | -168.6 | 177.4 | 0 | 0 | 0 | 0 | 110.8 | I128 V131 V171 I203 | I128-V175 HydrophobicContact CB-CG1 4.08Å; I128-V175 HydrophobicContact CD1-CB 4.48Å; I128-V175 HydrophobicContact CD1-CG1 3.15Å; I128-V175 HydrophobicContact CG1-CG1 3.46Å; I128-V175 VanDerWaalsContact CG1-CG1 3.46Å; I128-V175 HydrophobicContact CG2-CG1 3.96Å; V131-V175 HydrophobicContact CG2-CG1 4.14Å; V171-V175 HydrophobicContact CG1-CB 4.44Å; V171-V175 PolarHBondContact O-N 3.21Å; V171-V175 VanDerWaalsContact O-N 3.08Å; V175-I203 HydrophobicContact CG2-CD1 4.41Å | ||
| 176 | G | 76.6 | Confident | 73.4 | Confident | 13 Ų | 13 | 66 Ų | 66 | 13% | 0.134 | 33% | 0.334 | C | S | . | . | trans | -98.8 | 162.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I128 D179 | I128-G176 WeakPolarHBondContact CG2-O 3.31Å; G176-D179 WeakPolarHBondContact CA-OD2 3.37Å; G176-D179 PolarHBondContact N-OD2 3.12Å; G176-D179 PolarHBondContact O-N 3.25Å | ||
| 177 | S | 85.1 | Confident | 74 | Confident | 89 Ų | 89 | 63.2 Ų | 63.2 | 62% | 0.622 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | 136.2 | 168.3 | 49.8 | 0 | 0 | 0 | 0 | 110.2 | D179 | S177-D179 VanDerWaalsContact C-N 3.31Å; S177-D179 PolarHBondContact O-N 3.15Å |
| 178 | G | 84.7 | Confident | 74.9 | Confident | 30 Ų | 30 | 57.1 Ų | 57.1 | 31% | 0.309 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | -9.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | I128 | I128-G178 WeakPolarHBondContact O-CA 3.31Å; I128-G178 PolarHBondContact O-N 3.49Å |
| 179 | D | 81.6 | Confident | 75.1 | Confident | 9 Ų | 9 | 55.5 Ų | 55.5 | 5% | 0.048 | 29% | 0.285 | C | S | . | . | trans | -67.5 | 149.2 | 175.6 | -68.1 | -18 | 0 | 0 | 0 | 110.9 | R127 I128 G176 S177 V209 G212 | R127-D179 WeakPolarHBondContact CA-O 3.45Å; I128-D179 HydrophobicContact CD1-CB 3.97Å; I128-D179 VanDerWaalsContact CD1-O 3.3Å; I128-D179 WeakPolarHBondContact CD1-O 3.43Å; I128-D179 PolarHBondContact N-O 2.61Å; G176-D179 WeakPolarHBondContact CA-OD2 3.37Å; G176-D179 PolarHBondContact N-OD2 3.12Å; G176-D179 PolarHBondContact O-N 3.25Å; S177-D179 VanDerWaalsContact C-N 3.31Å; S177-D179 PolarHBondContact O-N 3.15Å; D179-V209 HydrophobicContact CB-CG1 3.88Å; D179-V209 HydrophobicContact CB-CG2 4.43Å; D179-G212 WeakPolarHBondContact OD1-CA 3.26Å | ||
| 180 | I | 84.3 | Confident | 75.1 | Confident | 40 Ų | 40 | 58.7 Ų | 58.7 | 21% | 0.205 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 123.2 | 173.5 | -56.3 | -178.8 | 0 | 0 | 0 | 109.2 | T125 C126 I211 | T125-I180 HydrophobicContact CG2-CG2 3.48Å; T125-I180 VanDerWaalsContact CG2-CG2 3.48Å; C126-I180 CarbonylContact O-C 3.59Å; C126-I180 WeakPolarHBondContact O-CA 3.42Å; I180-I211 HydrophobicContact CD1-CB 3.96Å; I180-I211 HydrophobicContact CD1-CD1 3.96Å; I180-I211 HydrophobicContact CD1-CG1 4.23Å; I180-I211 HydrophobicContact CG1-CB 4.4Å; I180-I211 PolarHBondContact N-O 3.33Å |
| 181 | V | 78.1 | Confident | 74.3 | Confident | 12 Ų | 12 | 58.8 Ų | 58.8 | 7% | 0.073 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 145.9 | 179.4 | -65.9 | 0 | 0 | 0 | 0 | 111.1 | C126 I128 I156 | C126-V181 HydrophobicContact CB-CG2 3.95Å; C126-V181 PolarHBondContact N-O 3.06Å; C126-V181 PolarHBondContact O-N 3.33Å; I128-V181 HydrophobicContact CD1-CB 4.18Å; I128-V181 HydrophobicContact CD1-CG1 3.46Å; I128-V181 VanDerWaalsContact CD1-CG1 3.46Å; I128-V181 HydrophobicContact CD1-CG2 3.71Å; I128-V181 HydrophobicContact CG1-CG2 4.36Å; I156-V181 HydrophobicContact CD1-CG2 4.08Å |
| 182 | L | 82.3 | Confident | 73.2 | Confident | 88 Ų | 88 | 64.4 Ų | 64.4 | 46% | 0.461 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 130.6 | 168.2 | -171.4 | 70.7 | 0 | 0 | 0 | 108.3 | ||
| 183 | A | 77.2 | Confident | 71.8 | Confident | 2 Ų | 2 | 66.9 Ų | 66.9 | 2% | 0.017 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 158.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L123 V124 C201 | L123-A183 WeakPolarHBondContact CA-O 3.42Å; V124-A183 HydrophobicContact CG2-CB 4.24Å; V124-A183 VanDerWaalsContact CG2-O 3.25Å; V124-A183 WeakPolarHBondContact CG2-O 3.44Å; V124-A183 PolarHBondContact N-O 3.13Å; V124-A183 PolarHBondContact O-N 3.27Å; A183-C201 HydrophobicContact CB-CB 3.49Å; A183-C201 VanDerWaalsContact CB-CB 3.49Å; A183-C201 VanDerWaalsContact CB-SG 3.52Å |
| 184 | K | 80.4 | Confident | 70.7 | Confident | 86 Ų | 86 | 69.5 Ų | 69.5 | 37% | 0.374 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 128.6 | 174.9 | -172.2 | 175.1 | -176.1 | 172.3 | 0 | 110.6 | G121 L123 H186 C201 C202 | G121-K184 WeakPolarHBondContact O-CE 3.25Å; L123-K184 HydrophobicContact CD2-CB 4.21Å; K184-H186 PolarHBondContact O-N 2.83Å; K184-C201 WeakPolarHBondContact O-CA 3.48Å; K184-C202 PolarHBondContact N-O 3.45Å; K184-C202 PolarHBondContact O-N 3.22Å |
| 185 | V | 79.3 | Confident | 69.6 | Low | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.006 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 115.8 | 179.3 | -179 | 0 | 0 | 0 | 0 | 110 | P118 G121 S122 V124 C198 | P118-V185 HydrophobicContact CB-CG2 4.17Å; G121-V185 PolarHBondContact N-O 2.84Å; S122-V185 PolarHBondContact O-N 2.88Å; S122-V185 VanDerWaalsContact O-N 3.08Å; V124-V185 HydrophobicContact CB-CG2 4.41Å; V124-V185 HydrophobicContact CG1-CG2 3.62Å; V124-V185 HydrophobicContact CG2-CG2 3.82Å; V185-C198 HydrophobicContact CG1-CB 4.36Å |
| 186 | H | 76.4 | Confident | 68.6 | Low | 103 Ų | 103 | 66.2 Ų | 66.2 | 48% | 0.477 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | -45.9 | 177.6 | -171.4 | 97.9 | 0 | 0 | 0 | 112.5 | I120 K184 E200 | I120-H186 VanDerWaalsContact CG2-O 3.29Å; I120-H186 WeakPolarHBondContact CG2-O 3.44Å; K184-H186 PolarHBondContact O-N 2.83Å; H186-E200 HydrophobicContact CB-CB 3.68Å; H186-E200 WeakPolarHBondContact CB-O 3.37Å; H186-E200 IonicContact CD2-OE2 2.84Å; H186-E200 PolarHBondContact CD2-OE2 2.8Å; H186-E200 IonicContact CG-OE2 3.61Å; H186-E200 PolarHBondContact N-O 2.86Å; H186-E200 IonicContact NE2-OE2 3.65Å |
| 187 | K | 74.2 | Confident | 67.3 | Low | 81 Ų | 81 | 71.1 Ų | 71.1 | 35% | 0.352 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 141.3 | 174.4 | -80.7 | 165.1 | -158.4 | 157.5 | 0 | 111.1 | F189 E200 | K187-F189 HydrophobicContact CB-CD2 4.18Å; K187-F189 HydrophobicContact CB-CE2 3.66Å; K187-F189 HydrophobicContact CB-CZ 4.32Å; K187-F189 HydrophobicContact CD-CE2 3.93Å; K187-F189 HydrophobicContact CD-CZ 3.97Å; K187-F189 HydrophobicContact CG-CE2 4.28Å; K187-E200 WeakPolarHBondContact CD-OE2 3.17Å; K187-E200 WeakPolarHBondContact CE-OE2 3.42Å; K187-E200 IonicContact NZ-OE1 2.66Å; K187-E200 PolarHBondContact NZ-OE1 2.86Å; K187-E200 IonicContact NZ-OE2 2.96Å; K187-E200 PolarHBondContact NZ-OE2 3.19Å |
| 188 | M | 72.1 | Confident | 65.6 | Low | 68 Ų | 68 | 66.9 Ų | 66.9 | 34% | 0.335 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 114.8 | 171.5 | -170.9 | -164.8 | 164.6 | 0 | 0 | 107.3 | L117 I120 I196 | L117-M188 HydrophobicContact CD1-CE 3.96Å; L117-M188 HydrophobicContact CD2-CE 3.69Å; L117-M188 HydrophobicContact CD2-SD 4.08Å; L117-M188 HydrophobicContact CG-CE 3.93Å; L117-M188 HydrophobicContact CG-SD 4.49Å; I120-M188 HydrophobicContact CG1-CB 4.39Å; M188-I196 HydrophobicContact CE-CB 4.46Å; M188-I196 HydrophobicContact CE-CD1 3.9Å; M188-I196 HydrophobicContact CE-CG1 3.78Å; M188-I196 HydrophobicContact CE-CG2 3.92Å; M188-I196 HydrophobicContact CG-CG2 3.49Å; M188-I196 VanDerWaalsContact CG-CG2 3.49Å; M188-I196 HydrophobicContact SD-CG2 4.39Å |
| 189 | F | 64.2 | Low | 63.9 | Low | 99 Ų | 99 | 66.9 Ų | 66.9 | 43% | 0.434 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 118.5 | 170.9 | -69.3 | -80.2 | 0 | 0 | 0 | 109.1 | K187 R197 E199 | K187-F189 HydrophobicContact CB-CD2 4.18Å; K187-F189 HydrophobicContact CB-CE2 3.66Å; K187-F189 HydrophobicContact CB-CZ 4.32Å; K187-F189 HydrophobicContact CD-CE2 3.93Å; K187-F189 HydrophobicContact CD-CZ 3.97Å; K187-F189 HydrophobicContact CG-CE2 4.28Å; F189-R197 PolarHBondContact N-O 3.34Å; F189-R197 VanDerWaalsContact N-O 3.13Å; F189-R197 PolarHBondContact O-N 2.82Å; F189-E199 HydrophobicContact CD2-CB 3.97Å; F189-E199 HydrophobicContact CD2-CG 3.79Å; F189-E199 HydrophobicContact CE2-CB 4.07Å; F189-E199 HydrophobicContact CE2-CG 4.3Å |
| 190 | G | 60.5 | Low | 62.3 | Low | 75 Ų | 75 | 68.2 Ų | 68.2 | 77% | 0.773 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 119.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 191 | C | 48.9 | Very low | 60.7 | Low | 80 Ų | 80 | 66.5 Ų | 66.5 | 54% | 0.541 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 134.1 | 162.8 | -153.6 | 0 | 0 | 0 | 0 | 106.3 | ||
| 192 | S | 48.3 | Very low | 59.3 | Low | 119 Ų | 119 | 68.4 Ų | 68.4 | 83% | 0.832 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -39 | 136.8 | -167.1 | -58.1 | 0 | 0 | 0 | 0 | 114.9 | ||
| 193 | D | 44.9 | Very low | 57.9 | Low | 141 Ų | 141 | 66.3 Ų | 66.3 | 75% | 0.754 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 40.3 | 97.8 | 172.1 | -78.8 | -5.6 | 0 | 0 | 0 | 116.5 | ||
| 194 | R | 49.4 | Very low | 56.6 | Low | 206 Ų | 206 | 72.4 Ų | 72.4 | 78% | 0.777 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.8 | 4.1 | 159 | -47.4 | 169.6 | -142.1 | -169.4 | 3.8 | 117.4 | ||
| 195 | A | 43.5 | Very low | 55.1 | Low | 35 Ų | 35 | 76.2 Ų | 76.2 | 29% | 0.289 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 81.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | R197 | A195-R197 PolarHBondContact O-N 2.83Å; A195-R197 VanDerWaalsContact O-N 3.11Å |
| 196 | I | 49.6 | Very low | 53.5 | Low | 14 Ų | 14 | 84.6 Ų | 84.6 | 7% | 0.072 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 107.8 | 159.6 | -59.2 | 167.9 | 0 | 0 | 0 | 106.2 | L117 P118 Y152 M188 C198 | L117-I196 HydrophobicContact CD1-CD1 3.21Å; L117-I196 HydrophobicContact CD1-CG1 4.26Å; L117-I196 HydrophobicContact CG-CD1 3.93Å; P118-I196 HydrophobicContact CG-CD1 3.78Å; P118-I196 HydrophobicContact CG-CG2 4.11Å; Y152-I196 HydrophobicContact CD1-CB 3.98Å; Y152-I196 HydrophobicContact CD1-CD1 3.46Å; Y152-I196 VanDerWaalsContact CD1-CD1 3.46Å; Y152-I196 HydrophobicContact CD1-CG1 3.8Å; Y152-I196 HydrophobicContact CD2-CD1 4.35Å; Y152-I196 HydrophobicContact CE1-CD1 3.27Å; Y152-I196 HydrophobicContact CE1-CG1 3.93Å; Y152-I196 HydrophobicContact CE2-CD1 4.17Å; Y152-I196 HydrophobicContact CG-CB 4.36Å; Y152-I196 HydrophobicContact CG-CD1 4.02Å; M188-I196 HydrophobicContact CE-CB 4.46Å; M188-I196 HydrophobicContact CE-CD1 3.9Å; M188-I196 HydrophobicContact CE-CG1 3.78Å; M188-I196 HydrophobicContact CE-CG2 3.92Å; M188-I196 HydrophobicContact CG-CG2 3.49Å; M188-I196 VanDerWaalsContact CG-CG2 3.49Å; M188-I196 HydrophobicContact SD-CG2 4.39Å; I196-C198 PolarHBondContact O-N 3.37Å |
| 197 | R | 48.8 | Very low | 52.1 | Low | 115 Ų | 115 | 90.5 Ų | 90.5 | 43% | 0.434 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 106 | 170.3 | -67 | -168.7 | -155 | 176.6 | 5.4 | 108.9 | S153 F189 A195 E199 | S153-R197 VanDerWaalsContact O-CA 3.31Å; S153-R197 WeakPolarHBondContact O-CA 3.25Å; F189-R197 PolarHBondContact N-O 3.34Å; F189-R197 VanDerWaalsContact N-O 3.13Å; F189-R197 PolarHBondContact O-N 2.82Å; A195-R197 PolarHBondContact O-N 2.83Å; A195-R197 VanDerWaalsContact O-N 3.11Å; R197-E199 HydrophobicContact CB-CG 3.78Å; R197-E199 WeakPolarHBondContact CD-OE1 3.35Å; R197-E199 IonicContact NH1-OE1 3.71Å; R197-E199 PolarHBondContact O-N 2.91Å |
| 198 | C | 49.7 | Very low | 50.9 | Low | 0 Ų | 0 | 93.4 Ų | 93.4 | 0% | 0 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 96.9 | 159.5 | -62.4 | 0 | 0 | 0 | 0 | 106.4 | I140 G154 V155 V185 I196 E200 | I140-C198 HydrophobicContact CD1-CB 4.21Å; I140-C198 VanDerWaalsContact CD1-SG 3.54Å; G154-C198 CarbonylContact C-O 3.58Å; G154-C198 WeakPolarHBondContact CA-O 3.35Å; V155-C198 PolarHBondContact N-O 2.98Å; V185-C198 HydrophobicContact CG1-CB 4.36Å; I196-C198 PolarHBondContact O-N 3.37Å; C198-E200 VanDerWaalsContact C-N 3.33Å |
| 199 | E | 48.6 | Very low | 50 | Low | 30 Ų | 30 | 92.1 Ų | 92.1 | 14% | 0.14 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | -4.9 | -176 | -66.8 | -158.2 | 167.5 | 0 | 0 | 113.8 | V155 R157 F189 R197 | V155-E199 CarbonylContact O-C 3.44Å; V155-E199 VanDerWaalsContact O-C 3.28Å; R157-E199 IonicContact CZ-OE2 3.88Å; R157-E199 IonicContact NH2-OE2 3.69Å; R157-E199 PolarHBondContact NH2-OE2 3.27Å; F189-E199 HydrophobicContact CD2-CB 3.97Å; F189-E199 HydrophobicContact CD2-CG 3.79Å; F189-E199 HydrophobicContact CE2-CB 4.07Å; F189-E199 HydrophobicContact CE2-CG 4.3Å; R197-E199 HydrophobicContact CB-CG 3.78Å; R197-E199 WeakPolarHBondContact CD-OE1 3.35Å; R197-E199 IonicContact NH1-OE1 3.71Å; R197-E199 PolarHBondContact O-N 2.91Å |
| 200 | E | 47.5 | Very low | 49.5 | Very low | 38 Ų | 38 | 91.4 Ų | 91.4 | 18% | 0.178 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 104.9 | -179.4 | -68.4 | 179.1 | -178.4 | 0 | 0 | 107.6 | D160 H186 K187 C198 | D160-E200 WeakPolarHBondContact OD2-CG 3.43Å; H186-E200 HydrophobicContact CB-CB 3.68Å; H186-E200 WeakPolarHBondContact CB-O 3.37Å; H186-E200 IonicContact CD2-OE2 2.84Å; H186-E200 PolarHBondContact CD2-OE2 2.8Å; H186-E200 IonicContact CG-OE2 3.61Å; H186-E200 PolarHBondContact N-O 2.86Å; H186-E200 IonicContact NE2-OE2 3.65Å; K187-E200 WeakPolarHBondContact CD-OE2 3.17Å; K187-E200 WeakPolarHBondContact CE-OE2 3.42Å; K187-E200 IonicContact NZ-OE1 2.66Å; K187-E200 PolarHBondContact NZ-OE1 2.86Å; K187-E200 IonicContact NZ-OE2 2.96Å; K187-E200 PolarHBondContact NZ-OE2 3.19Å; C198-E200 VanDerWaalsContact C-N 3.33Å |
| 201 | C | 50.1 | Low | 49.4 | Very low | 3 Ų | 3 | 93.4 Ų | 93.4 | 2% | 0.02 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 95 | -180 | -101.1 | 0 | 0 | 0 | 0 | 107.2 | I156 A183 K184 I203 | I156-C201 HydrophobicContact CG1-CB 3.97Å; A183-C201 HydrophobicContact CB-CB 3.49Å; A183-C201 VanDerWaalsContact CB-CB 3.49Å; A183-C201 VanDerWaalsContact CB-SG 3.52Å; K184-C201 WeakPolarHBondContact O-CA 3.48Å; C201-I203 PolarHBondContact O-N 2.89Å; C201-I203 VanDerWaalsContact O-N 3.16Å |
| 202 | C | 48.8 | Very low | 49.7 | Very low | 52 Ų | 52 | 90.5 Ų | 90.5 | 35% | 0.351 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 118.8 | 174 | -67.5 | 0 | 0 | 0 | 0 | 107.8 | K184 E204 | K184-C202 PolarHBondContact N-O 3.45Å; K184-C202 PolarHBondContact O-N 3.22Å; C202-E204 PolarHBondContact O-N 3.14Å |
| 203 | I | 53.3 | Low | 49.9 | Very low | 45 Ų | 45 | 91.1 Ų | 91.1 | 23% | 0.231 | 46% | 0.457 | C | S | . | . | trans | -78.6 | 99.8 | 168.2 | -56.4 | 173.8 | 0 | 0 | 0 | 104.7 | I156 T161 V175 C201 E205 | I156-I203 HydrophobicContact CD1-CD1 4.5Å; I156-I203 HydrophobicContact CG2-CD1 4.4Å; T161-I203 HydrophobicContact CG2-CD1 4.19Å; V175-I203 HydrophobicContact CG2-CD1 4.41Å; C201-I203 PolarHBondContact O-N 2.89Å; C201-I203 VanDerWaalsContact O-N 3.16Å; I203-E205 PolarHBondContact O-N 3.1Å; I203-E205 VanDerWaalsContact O-N 3.08Å | ||
| 204 | E | 49.7 | Very low | 50.3 | Low | 130 Ų | 130 | 93.1 Ų | 93.1 | 61% | 0.607 | 45% | 0.454 | S | S | * | . | trans | -66.5 | 109.8 | 165.9 | -81.9 | -177.7 | 171.9 | 0 | 0 | 107.1 | C202 E206 | C202-E204 PolarHBondContact O-N 3.14Å; E204-E206 PolarHBondContact O-N 2.86Å | ||
| 205 | E | 49.8 | Very low | 50.1 | Low | 166 Ų | 166 | 86.9 Ų | 86.9 | 78% | 0.776 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 73 | 174 | -77.6 | -169.9 | 141.1 | 0 | 0 | 110.3 | I203 | I203-E205 PolarHBondContact O-N 3.1Å; I203-E205 VanDerWaalsContact O-N 3.08Å |
| 206 | E | 46.5 | Very low | 49.9 | Very low | 177 Ų | 177 | 93.1 Ų | 93.1 | 83% | 0.827 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.6 | -24.7 | 164.8 | -71 | -144.1 | 147.1 | 0 | 0 | 114.2 | E204 | E204-E206 PolarHBondContact O-N 2.86Š|
| 207 | R | 45.2 | Very low | 49.4 | Very low | 226 Ų | 226 | 96.4 Ų | 96.4 | 85% | 0.853 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -144.1 | 100.8 | -179.9 | -68.4 | -171.8 | -177.5 | -154.3 | -1.4 | 113.9 | ||
| 208 | K | 48.9 | Very low | 49 | Very low | 142 Ų | 142 | 96.5 Ų | 96.5 | 62% | 0.617 | 51% | 0.512 | S | S | * | . | trans | -20.9 | 133.6 | 162.3 | -63.2 | 161.9 | -176.3 | 174.8 | 0 | 114.7 | A210 L218 | K208-A210 PolarHBondContact O-N 3.32Å; K208-L218 WeakPolarHBondContact CE-O 3.24Å; K208-L218 PolarHBondContact NZ-O 3.08Å | ||
| 209 | V | 53.6 | Low | 48.4 | Very low | 41 Ų | 41 | 107.6 Ų | 107.6 | 25% | 0.248 | 55% | 0.554 | C | S | . | * | trans | -16.9 | 102.4 | 157.7 | -179.5 | 0 | 0 | 0 | 0 | 111.8 | D179 I211 | D179-V209 HydrophobicContact CB-CG1 3.88Å; D179-V209 HydrophobicContact CB-CG2 4.43Å; V209-I211 VanDerWaalsContact C-N 3.31Å | ||
| 210 | A | 55 | Low | 47.8 | Very low | 85 Ų | 85 | 110.7 Ų | 110.7 | 70% | 0.702 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -73.2 | -29.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | K208 | K208-A210 PolarHBondContact O-N 3.32Š|
| 211 | I | 58.2 | Low | 47.5 | Very low | 116 Ų | 116 | 116.5 Ų | 116.5 | 60% | 0.595 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -145.4 | 110.3 | -178.7 | -50.6 | 179 | 0 | 0 | 0 | 106.6 | I180 V209 | I180-I211 HydrophobicContact CD1-CB 3.96Å; I180-I211 HydrophobicContact CD1-CD1 3.96Å; I180-I211 HydrophobicContact CD1-CG1 4.23Å; I180-I211 HydrophobicContact CG1-CB 4.4Å; I180-I211 PolarHBondContact N-O 3.33Å; V209-I211 VanDerWaalsContact C-N 3.31Å |
| 212 | G | 54.2 | Low | 47 | Very low | 20 Ų | 20 | 121.9 Ų | 121.9 | 21% | 0.206 | 65% | 0.648 | C | S | . | * | trans | -172.8 | 140.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | D179 R214 A215 | D179-G212 WeakPolarHBondContact OD1-CA 3.26Å; G212-R214 PolarHBondContact O-N 3.46Å; G212-A215 PolarHBondContact O-N 3.19Å | ||
| 213 | S | 53 | Low | 46.7 | Very low | 132 Ų | 132 | 124.8 Ų | 124.8 | 92% | 0.923 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | -9.9 | -179 | -41.3 | 0 | 0 | 0 | 0 | 112.5 | ||
| 214 | R | 52.9 | Low | 46.1 | Very low | 183 Ų | 183 | 126 Ų | 126 | 69% | 0.691 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.8 | 22.6 | 179.9 | -74.2 | -175.6 | 167.9 | 173.3 | -1.8 | 115.1 | G212 L216 | G212-R214 PolarHBondContact O-N 3.46Å; R214-L216 PolarHBondContact O-N 3.48Å |
| 215 | A | 46.5 | Very low | 45.4 | Very low | 75 Ų | 75 | 124.8 Ų | 124.8 | 62% | 0.62 | 70% | 0.696 | S | S | * | * | trans | -59.8 | -5.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | G212 | G212-A215 PolarHBondContact O-N 3.19Š| ||
| 216 | L | 39.2 | Very low | 44.8 | Very low | 165 Ų | 165 | 123.6 Ų | 123.6 | 86% | 0.864 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -101.1 | 92.4 | -179.9 | -73.8 | 158.5 | 0 | 0 | 0 | 110.6 | R214 | R214-L216 PolarHBondContact O-N 3.48Š|
| 217 | A | 38.5 | Very low | 44.6 | Very low | 84 Ų | 84 | 122.1 Ų | 122.1 | 69% | 0.694 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -178.9 | -24.4 | 148.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | R219 | A217-R219 VanDerWaalsContact C-N 3.29Å; A217-R219 PolarHBondContact O-N 3.04Å |
| 218 | L | 40.6 | Very low | 44.4 | Very low | 116 Ų | 116 | 115.5 Ų | 115.5 | 61% | 0.607 | 68% | 0.681 | S | S | * | * | trans | -86.1 | 66.2 | -174 | -75.5 | 169.9 | 0 | 0 | 0 | 112.6 | K208 L221 | K208-L218 WeakPolarHBondContact CE-O 3.24Å; K208-L218 PolarHBondContact NZ-O 3.08Å; L218-L221 HydrophobicContact CD2-CD1 4.48Å | ||
| 219 | R | 36.5 | Very low | 44.2 | Very low | 234 Ų | 234 | 118.5 Ų | 118.5 | 88% | 0.883 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -104.1 | 6.3 | 167.4 | -112.7 | -174.9 | -173.8 | -161.8 | 1.9 | 113.5 | A217 | A217-R219 VanDerWaalsContact C-N 3.29Å; A217-R219 PolarHBondContact O-N 3.04Å |
| 220 | S | 36.3 | Very low | 43.8 | Very low | 94 Ų | 94 | 121.9 Ų | 121.9 | 66% | 0.657 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -145.9 | 16.3 | -157.5 | -32.8 | 0 | 0 | 0 | 0 | 119.7 | ||
| 221 | L | 41.3 | Very low | 43.2 | Very low | 160 Ų | 160 | 125.8 Ų | 125.8 | 84% | 0.838 | 72% | 0.719 | S | S | * | * | trans | -116.9 | 13.3 | 178.4 | -84.7 | 150.6 | 0 | 0 | 0 | 115 | L218 | L218-L221 HydrophobicContact CD2-CD1 4.48Š| ||
| 222 | S | 39 | Very low | 43 | Very low | 116 Ų | 116 | 123.6 Ų | 123.6 | 81% | 0.811 | 73% | 0.726 | S | S | * | * | trans | -100.2 | 66.9 | 169.3 | 62.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 223 | S | 43.2 | Very low | 42.5 | Very low | 113 Ų | 113 | 133 Ų | 133 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | 171.3 | 125.1 | 164.2 | 54.4 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 224 | G | 39.2 | Very low | 42 | Very low | 70 Ų | 70 | 133.1 Ų | 133.1 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | cis | -165.1 | -176.8 | 4.9 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 225 | P | 36.5 | Very low | 41.4 | Very low | 106 Ų | 106 | 130.5 Ų | 130.5 | 69% | 0.688 | 78% | 0.777 | S | S | * | * | trans | -87.6 | 170.1 | -170.7 | 39.1 | -35 | 0 | 0 | 0 | 112.3 | ||||
| 226 | D | 36 | Very low | 41.1 | Very low | 141 Ų | 141 | 133.6 Ų | 133.6 | 75% | 0.754 | 79% | 0.786 | S | S | * | * | trans | 80 | 152.4 | 153.6 | -50.8 | -36 | 0 | 0 | 0 | 120.7 | ||||
| 227 | D | 42.3 | Very low | 41.3 | Very low | 145 Ų | 145 | 131.7 Ų | 131.7 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | trans | 98.2 | 74.9 | 160.7 | -52.7 | -18.8 | 0 | 0 | 0 | 119.7 | ||||
| 228 | S | 41.8 | Very low | 41.4 | Very low | 87 Ų | 87 | 134.7 Ų | 134.7 | 61% | 0.608 | 79% | 0.786 | S | S | * | * | 50.2 | 143.7 | 104 | 76.6 | 0 | 0 | 0 | 0 | 123 | |||||
| 229 | Y | 44.6 | Very low | 41.5 | Very low | 206 Ų | 206 | 135.9 Ų | 135.9 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | trans | 80.8 | 106.5 | 152.9 | -67.3 | -71.2 | 0 | 0 | 0 | 121.5 | ||||
| 230 | T | 45.7 | Very low | 41.8 | Very low | 111 Ų | 111 | 128.9 Ų | 128.9 | 68% | 0.681 | 79% | 0.792 | S | S | * | * | 30.3 | 126.3 | 125.6 | 60.2 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 231 | N | 41.8 | Very low | 42.3 | Very low | 167 Ų | 167 | 131.6 Ų | 131.6 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | -164.8 | 129.8 | 129.3 | -80.5 | -35 | 0 | 0 | 0 | 104.9 | |||||
| 232 | G | 53.8 | Low | 42.4 | Very low | 70 Ų | 70 | 129.3 Ų | 129.3 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | cis | 105.4 | 82.1 | 40.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 233 | T | 44.6 | Very low | 42.7 | Very low | 219 Ų | 219 | 130.5 Ų | 130.5 | 100% | 1.344 | 80% | 0.799 | S | S | * | * | trans | -159.1 | 0 | 143.2 | -42.1 | 0 | 0 | 0 | 0 | 107.7 |
Retrieved 233 of 233 residues in 89.6 ms
(Link to these results)