| 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 | 41.4 | Very low | 50.6 | Low | 251 Ų | 251 | 148.1 Ų | 148.1 | 100% | 1.236 | 77% | 0.766 | S | S | * | * | 0 | 93.3 | 0 | -123.1 | 164.7 | 179.4 | 0 | 0 | 107.3 | |||||
| 2 | M | 37.2 | Very low | 51.6 | Low | 191 Ų | 191 | 143.6 Ų | 143.6 | 94% | 0.941 | 75% | 0.75 | S | S | * | * | trans | -93.4 | 115.7 | 178.4 | -87.8 | -172.1 | 158.1 | 0 | 0 | 108.7 | K4 | M2-K4 PolarHBondContact O-N 3.38Š| ||
| 3 | M | 42.9 | Very low | 52.3 | Low | 183 Ų | 183 | 141.4 Ų | 141.4 | 90% | 0.901 | 74% | 0.738 | S | S | * | * | trans | -79.8 | 109.3 | 179.4 | -159.6 | 148.2 | 71 | 0 | 0 | 108.6 | I5 | M3-I5 PolarHBondContact O-N 3.17Š| ||
| 4 | K | 47.8 | Very low | 52.9 | Low | 202 Ų | 202 | 140.6 Ų | 140.6 | 88% | 0.878 | 73% | 0.731 | S | S | * | * | trans | -78 | 113.8 | 173.5 | -74.9 | -176.2 | 174.3 | -179.1 | 0 | 108.7 | M2 | M2-K4 PolarHBondContact O-N 3.38Š| ||
| 5 | I | 54.6 | Low | 53.4 | Low | 140 Ų | 140 | 138.8 Ų | 138.8 | 72% | 0.718 | 72% | 0.722 | S | S | * | * | trans | -84.9 | 127.3 | 172.8 | -60.2 | 166.9 | 0 | 0 | 0 | 107.7 | M3 | M3-I5 PolarHBondContact O-N 3.17Š| ||
| 6 | P | 52 | Low | 53.9 | Low | 91 Ų | 91 | 137.4 Ų | 137.4 | 59% | 0.591 | 72% | 0.715 | S | S | * | * | trans | -74.3 | 130.6 | -178.6 | 28.7 | -31.1 | 0 | 0 | 0 | 110.9 | G8 | P6-G8 PolarHBondContact O-N 2.81Š| ||
| 7 | W | 54.1 | Low | 54.2 | Low | 244 Ų | 244 | 136.4 Ų | 136.4 | 92% | 0.924 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | 5 | -178 | -95.1 | -6.8 | 0 | 0 | 0 | 116 | ||
| 8 | G | 56.3 | Low | 54.4 | Low | 59 Ų | 59 | 135.1 Ų | 135.1 | 61% | 0.608 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -12.7 | -179 | 0 | 0 | 0 | 0 | 0 | 115.6 | P6 | P6-G8 PolarHBondContact O-N 2.81Š|
| 9 | S | 53.6 | Low | 54.5 | Low | 73 Ų | 73 | 134.3 Ų | 134.3 | 51% | 0.51 | 70% | 0.7 | S | S | . | * | S | Bend | trans | -97.8 | -7.3 | -167.2 | -43.7 | 0 | 0 | 0 | 0 | 114.8 | L13 | S9-L13 PolarHBondContact O-N 3.46Š|
| 10 | I | 58.8 | Low | 54.6 | Low | 109 Ų | 109 | 130.9 Ų | 130.9 | 56% | 0.559 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -71.9 | -42.4 | -174.8 | -55.4 | 175 | 0 | 0 | 0 | 113.1 | V12 M14 | I10-V12 PolarHBondContact O-N 3.49Å; I10-M14 PolarHBondContact O-N 3.33Å; I10-M14 VanDerWaalsContact O-N 3.16Å |
| 11 | P | 58.1 | Low | 54.5 | Low | 86 Ų | 86 | 131 Ų | 131 | 56% | 0.558 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -73.3 | -28.5 | -176 | 27.4 | -31.2 | 0 | 0 | 0 | 112.7 | L15 | P11-L15 WeakPolarHBondContact O-CB 3.5Å; P11-L15 PolarHBondContact O-N 3.5Å; P11-L15 VanDerWaalsContact O-N 3.12Å |
| 12 | V | 63 | Low | 55.2 | Low | 94 Ų | 94 | 125.4 Ų | 125.4 | 57% | 0.57 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -73.6 | -39.8 | 178.4 | -178 | 0 | 0 | 0 | 0 | 111.1 | I10 M14 L15 L16 | I10-V12 PolarHBondContact O-N 3.49Å; V12-M14 VanDerWaalsContact C-N 3.32Å; V12-L15 PolarHBondContact O-N 3.37Å; V12-L16 HydrophobicContact CG1-CD1 4.19Å; V12-L16 PolarHBondContact O-N 3.43Å; V12-L16 VanDerWaalsContact O-N 3.13Å |
| 13 | L | 59.7 | Low | 56 | Low | 115 Ų | 115 | 124 Ų | 124 | 60% | 0.602 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -68.6 | -33.7 | 177 | -159.2 | 74 | 0 | 0 | 0 | 111.7 | S9 L17 | S9-L13 PolarHBondContact O-N 3.46Å; L13-L17 WeakPolarHBondContact O-CD1 3.47Å; L13-L17 PolarHBondContact O-N 2.96Å; L13-L17 VanDerWaalsContact O-N 3.17Å |
| 14 | M | 61.6 | Low | 56.5 | Low | 130 Ų | 130 | 122.7 Ų | 122.7 | 64% | 0.64 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -73.2 | -35.5 | 177.2 | -147.3 | -170.1 | -177.4 | 0 | 0 | 112.6 | I10 V12 L17 L18 | I10-M14 PolarHBondContact O-N 3.33Å; I10-M14 VanDerWaalsContact O-N 3.16Å; V12-M14 VanDerWaalsContact C-N 3.32Å; M14-L17 PolarHBondContact O-N 3.16Å; M14-L18 WeakPolarHBondContact O-CD1 3.49Å; M14-L18 PolarHBondContact O-N 3.44Å; M14-L18 VanDerWaalsContact O-N 3.12Å |
| 15 | L | 60.6 | Low | 56.8 | Low | 114 Ų | 114 | 118.3 Ų | 118.3 | 60% | 0.597 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -69.4 | -36.1 | 175.3 | -163.6 | 72.4 | 0 | 0 | 0 | 112.4 | P11 V12 L18 L19 | P11-L15 WeakPolarHBondContact O-CB 3.5Å; P11-L15 PolarHBondContact O-N 3.5Å; P11-L15 VanDerWaalsContact O-N 3.12Å; V12-L15 PolarHBondContact O-N 3.37Å; L15-L18 PolarHBondContact O-N 3.42Å; L15-L19 PolarHBondContact O-N 3.12Å |
| 16 | L | 60.7 | Low | 56.9 | Low | 116 Ų | 116 | 119.4 Ų | 119.4 | 61% | 0.607 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -67.4 | -32.7 | 172.4 | -86.7 | 154.9 | 0 | 0 | 0 | 112.8 | V12 | V12-L16 HydrophobicContact CG1-CD1 4.19Å; V12-L16 PolarHBondContact O-N 3.43Å; V12-L16 VanDerWaalsContact O-N 3.13Å |
| 17 | L | 59.3 | Low | 56.7 | Low | 121 Ų | 121 | 119.6 Ų | 119.6 | 63% | 0.634 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -71.7 | -34.1 | 174 | -109.7 | 114.3 | 0 | 0 | 0 | 112.8 | L13 M14 G20 | L13-L17 WeakPolarHBondContact O-CD1 3.47Å; L13-L17 PolarHBondContact O-N 2.96Å; L13-L17 VanDerWaalsContact O-N 3.17Å; M14-L17 PolarHBondContact O-N 3.16Å; L17-G20 PolarHBondContact O-N 3.46Å |
| 18 | L | 57.8 | Low | 56.6 | Low | 113 Ų | 113 | 116.2 Ų | 116.2 | 59% | 0.592 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -73.7 | -29.8 | 178.6 | -80.5 | 156.4 | 0 | 0 | 0 | 113.1 | M14 L15 G20 | M14-L18 WeakPolarHBondContact O-CD1 3.49Å; M14-L18 PolarHBondContact O-N 3.44Å; M14-L18 VanDerWaalsContact O-N 3.12Å; L15-L18 PolarHBondContact O-N 3.42Å; L18-G20 VanDerWaalsContact C-N 3.29Å; L18-G20 PolarHBondContact O-N 3.13Å |
| 19 | L | 56.8 | Low | 56.4 | Low | 120 Ų | 120 | 120.8 Ų | 120.8 | 63% | 0.628 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -9.9 | 175.6 | -74.2 | 164.1 | 0 | 0 | 0 | 113.8 | L15 | L15-L19 PolarHBondContact O-N 3.12Š|
| 20 | G | 54.9 | Low | 56.4 | Low | 65 Ų | 65 | 122.1 Ų | 122.1 | 67% | 0.67 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | 1.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | L17 L18 | L17-G20 PolarHBondContact O-N 3.46Å; L18-G20 VanDerWaalsContact C-N 3.29Å; L18-G20 PolarHBondContact O-N 3.13Å |
| 21 | L | 53.6 | Low | 55.9 | Low | 135 Ų | 135 | 122.2 Ų | 122.2 | 71% | 0.707 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -110.8 | 8.5 | -173.2 | -73 | 172.1 | 0 | 0 | 0 | 115.1 | ||
| 22 | I | 56.6 | Low | 55.9 | Low | 133 Ų | 133 | 123.9 Ų | 123.9 | 68% | 0.682 | 70% | 0.701 | S | S | * | * | trans | -107.7 | 78 | 176.1 | 24.3 | 174.4 | 0 | 0 | 0 | 109.8 | ||||
| 23 | D | 52.3 | Low | 55.5 | Low | 161 Ų | 161 | 122.1 Ų | 122.1 | 86% | 0.861 | 70% | 0.702 | S | S | * | * | trans | -160.2 | 66.2 | 152.4 | -92.2 | -33.3 | 0 | 0 | 0 | 108.9 | S25 | D23-S25 VanDerWaalsContact C-N 3.26Å; D23-S25 PolarHBondContact O-N 3.12Å; D23-S25 VanDerWaalsContact O-N 3.14Å | ||
| 24 | I | 53.8 | Low | 55.2 | Low | 155 Ų | 155 | 122.4 Ų | 122.4 | 80% | 0.795 | 71% | 0.711 | S | S | * | * | trans | -81.9 | 84.2 | 163.2 | -56.7 | 177.7 | 0 | 0 | 0 | 106.5 | Q26 | I24-Q26 PolarHBondContact O-N 3.36Å; I24-Q26 VanDerWaalsContact O-N 3.13Å | ||
| 25 | S | 54.1 | Low | 55.2 | Low | 110 Ų | 110 | 121.7 Ų | 121.7 | 77% | 0.769 | 72% | 0.716 | S | S | * | * | trans | -64.4 | 108.6 | 167.9 | -176 | 0 | 0 | 0 | 0 | 108.4 | D23 A27 | D23-S25 VanDerWaalsContact C-N 3.26Å; D23-S25 PolarHBondContact O-N 3.12Å; D23-S25 VanDerWaalsContact O-N 3.14Å; S25-A27 PolarHBondContact O-N 3.22Å; S25-A27 VanDerWaalsContact O-N 3.07Å | ||
| 26 | Q | 56.9 | Low | 55.2 | Low | 163 Ų | 163 | 120.7 Ų | 120.7 | 76% | 0.762 | 72% | 0.724 | S | S | * | * | trans | -63.3 | 107.3 | 170 | -72 | -175.9 | -35.3 | 0 | 0 | 109.2 | I24 Q28 | I24-Q26 PolarHBondContact O-N 3.36Å; I24-Q26 VanDerWaalsContact O-N 3.13Å; Q26-Q28 PolarHBondContact O-N 3.41Å | ||
| 27 | A | 47.3 | Very low | 54.7 | Low | 95 Ų | 95 | 123 Ų | 123 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | trans | -85 | 86.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | S25 L29 | S25-A27 PolarHBondContact O-N 3.22Å; S25-A27 VanDerWaalsContact O-N 3.07Å; A27-L29 PolarHBondContact O-N 3.49Å; A27-L29 VanDerWaalsContact O-N 3.08Å | ||
| 28 | Q | 53.5 | Low | 54.9 | Low | 174 Ų | 174 | 122.5 Ų | 122.5 | 81% | 0.813 | 74% | 0.74 | S | S | * | * | trans | -72.7 | 95 | 163.4 | -74 | -178.6 | -72.2 | 0 | 0 | 108.4 | Q26 S30 | Q26-Q28 PolarHBondContact O-N 3.41Å; Q28-S30 PolarHBondContact O-N 3.45Å; Q28-S30 VanDerWaalsContact O-N 3.13Å | ||
| 29 | L | 50.4 | Low | 54.9 | Low | 154 Ų | 154 | 120.5 Ų | 120.5 | 81% | 0.806 | 75% | 0.746 | S | S | * | * | trans | -80.9 | 84.1 | 170.9 | -161.7 | 81.2 | 0 | 0 | 0 | 109 | A27 | A27-L29 PolarHBondContact O-N 3.49Å; A27-L29 VanDerWaalsContact O-N 3.08Å | ||
| 30 | S | 54.4 | Low | 55.1 | Low | 102 Ų | 102 | 122.6 Ų | 122.6 | 71% | 0.713 | 76% | 0.756 | S | S | * | * | trans | -104 | 80.3 | 164.9 | -173.5 | 0 | 0 | 0 | 0 | 108.7 | Q28 T32 | Q28-S30 PolarHBondContact O-N 3.45Å; Q28-S30 VanDerWaalsContact O-N 3.13Å; S30-T32 VanDerWaalsContact C-N 3.33Å; S30-T32 PolarHBondContact O-N 3.17Å; S30-T32 VanDerWaalsContact O-N 3.16Å | ||
| 31 | C | 48 | Very low | 55.4 | Low | 110 Ų | 110 | 125 Ų | 125 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | trans | -85.2 | 78.3 | 173 | -67.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 32 | T | 58.6 | Low | 55.7 | Low | 121 Ų | 121 | 121.9 Ų | 121.9 | 74% | 0.742 | 76% | 0.761 | S | S | * | * | trans | -104.6 | 96.6 | 155.8 | -42.6 | 0 | 0 | 0 | 0 | 105.8 | S30 | S30-T32 VanDerWaalsContact C-N 3.33Å; S30-T32 PolarHBondContact O-N 3.17Å; S30-T32 VanDerWaalsContact O-N 3.16Å | ||
| 33 | G | 54.9 | Low | 56.1 | Low | 58 Ų | 58 | 123.5 Ų | 123.5 | 60% | 0.598 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 137.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 34 | P | 53 | Low | 56.7 | Low | 120 Ų | 120 | 121.4 Ų | 121.4 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 142.3 | 175.1 | 23.4 | -31.3 | 0 | 0 | 0 | 109.2 | ||
| 35 | P | 62 | Low | 56.8 | Low | 116 Ų | 116 | 117.4 Ų | 117.4 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 146.7 | 174.9 | 21.8 | -30.8 | 0 | 0 | 0 | 110 | I37 | P35-I37 PolarHBondContact O-N 3.48Š|
| 36 | A | 60.8 | Low | 57.2 | Low | 93 Ų | 93 | 118.1 Ų | 118.1 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 126.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | P38 | A36-P38 WeakPolarHBondContact O-CD 3.44Å; A36-P38 VanDerWaalsContact O-N 3.13Å |
| 37 | I | 50.7 | Low | 57.7 | Low | 164 Ų | 164 | 116.2 Ų | 116.2 | 84% | 0.841 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 116.1 | -178.2 | -57.7 | 170.8 | 0 | 0 | 0 | 107.2 | P35 | P35-I37 PolarHBondContact O-N 3.48Š|
| 38 | P | 62.1 | Low | 58.4 | Low | 111 Ų | 111 | 114 Ų | 114 | 72% | 0.721 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 142.6 | 173.5 | -21 | 33.3 | 0 | 0 | 0 | 109.3 | A36 I40 | A36-P38 WeakPolarHBondContact O-CD 3.44Å; A36-P38 VanDerWaalsContact O-N 3.13Å; P38-I40 PolarHBondContact O-N 3.13Å |
| 39 | G | 58.8 | Low | 58.8 | Low | 71 Ų | 71 | 111.8 Ų | 111.8 | 73% | 0.732 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 141.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | P41 | G39-P41 WeakPolarHBondContact O-CD 3.38Š|
| 40 | I | 59.5 | Low | 59.5 | Low | 163 Ų | 163 | 112.3 Ų | 112.3 | 84% | 0.836 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 125.5 | 179.7 | -54 | 172.9 | 0 | 0 | 0 | 107.9 | P38 G42 | P38-I40 PolarHBondContact O-N 3.13Å; I40-G42 PolarHBondContact O-N 3.41Å |
| 41 | P | 62.8 | Low | 59.8 | Low | 115 Ų | 115 | 110.5 Ų | 110.5 | 75% | 0.747 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 140.6 | 174.4 | -25 | 34.1 | 0 | 0 | 0 | 110.9 | G39 | G39-P41 WeakPolarHBondContact O-CD 3.38Š|
| 42 | G | 59.9 | Low | 60.6 | Low | 71 Ų | 71 | 113.9 Ų | 113.9 | 73% | 0.732 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 148.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I40 | I40-G42 PolarHBondContact O-N 3.41Š|
| 43 | I | 63.3 | Low | 61 | Low | 167 Ų | 167 | 114.1 Ų | 114.1 | 86% | 0.856 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 134.7 | 177.4 | -54.1 | 172.6 | 0 | 0 | 0 | 108.8 | ||
| 44 | P | 66.8 | Low | 61.4 | Low | 116 Ų | 116 | 114.2 Ų | 114.2 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 142.7 | 173.6 | -25.1 | 34.2 | 0 | 0 | 0 | 112 | ||
| 45 | G | 55.5 | Low | 62 | Low | 71 Ų | 71 | 114.7 Ų | 114.7 | 73% | 0.732 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 152 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 46 | T | 62.6 | Low | 62.2 | Low | 126 Ų | 126 | 115 Ų | 115 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 148.9 | 175.9 | 52.4 | 0 | 0 | 0 | 0 | 111.3 | ||
| 47 | P | 67.3 | Low | 62.4 | Low | 123 Ų | 123 | 113.7 Ų | 113.7 | 80% | 0.799 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 144.7 | 170.8 | -24.7 | 34.5 | 0 | 0 | 0 | 111.9 | ||
| 48 | G | 60.7 | Low | 63.2 | Low | 49 Ų | 49 | 114 Ų | 114 | 51% | 0.505 | 76% | 0.761 | S | S | . | * | P | Polyproline II helix | trans | -65.3 | 160.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 49 | P | 62.1 | Low | 63.4 | Low | 127 Ų | 127 | 118.6 Ų | 118.6 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -67 | 156 | 177 | 29.5 | -35 | 0 | 0 | 0 | 112 | ||
| 50 | D | 66.1 | Low | 63.7 | Low | 164 Ų | 164 | 118.2 Ų | 118.2 | 88% | 0.877 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 146.6 | 174.5 | -69.8 | -25.3 | 0 | 0 | 0 | 111.8 | ||
| 51 | G | 60.9 | Low | 64.1 | Low | 64 Ų | 64 | 120 Ų | 120 | 66% | 0.66 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 153.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 52 | Q | 65.3 | Low | 64.4 | Low | 182 Ų | 182 | 124.5 Ų | 124.5 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 146.2 | 178.1 | -65.8 | -173 | 15 | 0 | 0 | 112 | ||
| 53 | P | 66.6 | Low | 64.8 | Low | 126 Ų | 126 | 124.2 Ų | 124.2 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 144 | 173.3 | -22.9 | 33.2 | 0 | 0 | 0 | 112.4 | ||
| 54 | G | 61.9 | Low | 64.9 | Low | 60 Ų | 60 | 124.4 Ų | 124.4 | 62% | 0.619 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 155.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 55 | T | 67 | Low | 65.1 | Low | 129 Ų | 129 | 124.7 Ų | 124.7 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 149.5 | 178.4 | 48.5 | 0 | 0 | 0 | 0 | 112.1 | ||
| 56 | P | 65 | Low | 65.7 | Low | 124 Ų | 124 | 125 Ų | 125 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 142.4 | 174.7 | -23 | 33.6 | 0 | 0 | 0 | 112.3 | ||
| 57 | G | 64.6 | Low | 65.5 | Low | 65 Ų | 65 | 127.6 Ų | 127.6 | 67% | 0.67 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -65 | 153.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 58 | I | 68.9 | Low | 65.3 | Low | 170 Ų | 170 | 126.3 Ų | 126.3 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 143.3 | 176.8 | 58 | 174 | 0 | 0 | 0 | 111.6 | ||
| 59 | K | 65.6 | Low | 65.3 | Low | 207 Ų | 207 | 127.6 Ų | 127.6 | 90% | 0.9 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 135.7 | 176.7 | -173.8 | 177.4 | 179.4 | 178.1 | 0 | 109.9 | ||
| 60 | G | 66.3 | Low | 64.8 | Low | 64 Ų | 64 | 129.7 Ų | 129.7 | 66% | 0.66 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 154.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 61 | E | 68 | Low | 64 | Low | 200 Ų | 200 | 131.2 Ų | 131.2 | 94% | 0.935 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -66 | 153.1 | -179.8 | -62.3 | -174.6 | 157.2 | 0 | 0 | 112.4 | ||
| 62 | K | 68.3 | Low | 63.4 | Low | 209 Ų | 209 | 131.4 Ų | 131.4 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 135.8 | 179.1 | -171.3 | 178.9 | 178.6 | -178 | 0 | 109.9 | ||
| 63 | G | 67.4 | Low | 62.2 | Low | 66 Ų | 66 | 131.9 Ų | 131.9 | 68% | 0.68 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -60 | 150.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 64 | L | 65.2 | Low | 61.1 | Low | 171 Ų | 171 | 136.2 Ų | 136.2 | 90% | 0.895 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 146.1 | -179.1 | -66.5 | 168.3 | 0 | 0 | 0 | 111.8 | ||
| 65 | P | 71 | Confident | 60.3 | Low | 121 Ų | 121 | 136.5 Ų | 136.5 | 79% | 0.786 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 146.3 | 173.4 | -19.4 | 31.5 | 0 | 0 | 0 | 112.5 | ||
| 66 | G | 68.3 | Low | 59.3 | Low | 77 Ų | 77 | 139.7 Ų | 139.7 | 79% | 0.794 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 147.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 67 | L | 60.1 | Low | 58.5 | Low | 181 Ų | 181 | 143.9 Ų | 143.9 | 95% | 0.948 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 139.3 | 177.5 | -78.2 | 146.5 | 0 | 0 | 0 | 111.3 | ||
| 68 | A | 61.2 | Low | 58.3 | Low | 97 Ų | 97 | 143.5 Ų | 143.5 | 80% | 0.802 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 137.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 69 | G | 62.3 | Low | 57.8 | Low | 76 Ų | 76 | 142.9 Ų | 142.9 | 78% | 0.784 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 144.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 70 | D | 51.7 | Low | 57.8 | Low | 171 Ų | 171 | 138.7 Ų | 138.7 | 91% | 0.914 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 154.2 | -174 | -70.1 | -39.3 | 0 | 0 | 0 | 114.5 | ||
| 71 | H | 48.5 | Very low | 57.9 | Low | 195 Ų | 195 | 139 Ų | 139 | 90% | 0.903 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 138.7 | -174.2 | -158.3 | 70.3 | 0 | 0 | 0 | 112.8 | ||
| 72 | G | 47.9 | Very low | 57.8 | Low | 69 Ų | 69 | 137.2 Ų | 137.2 | 71% | 0.711 | 82% | 0.821 | S | S | * | * | trans | -164.5 | 141.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 73 | E | 41.2 | Very low | 57.8 | Low | 191 Ų | 191 | 132.6 Ų | 132.6 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | trans | -72.7 | 148.4 | -158.1 | -67.9 | -179.3 | 137.1 | 0 | 0 | 117.6 | ||||
| 74 | F | 41.8 | Very low | 57.8 | Low | 218 Ų | 218 | 132.8 Ų | 132.8 | 96% | 0.956 | 82% | 0.815 | S | S | * | * | trans | -7.6 | 120.8 | 168.9 | -122.6 | -101.7 | 0 | 0 | 0 | 121.4 | ||||
| 75 | G | 46.5 | Very low | 57.9 | Low | 66 Ų | 66 | 132.1 Ų | 132.1 | 68% | 0.68 | 81% | 0.813 | S | S | * | * | trans | -156.7 | 153.2 | 154.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 76 | E | 45.3 | Very low | 57.7 | Low | 195 Ų | 195 | 132.2 Ų | 132.2 | 91% | 0.911 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -24.5 | 138.3 | -166.8 | -66.2 | -177.9 | 132.3 | 0 | 0 | 118.7 | G78 | E76-G78 PolarHBondContact O-N 3.44Š|
| 77 | K | 48.4 | Very low | 57.5 | Low | 212 Ų | 212 | 132 Ų | 132 | 92% | 0.922 | 81% | 0.81 | S | S | * | * | trans | -52.8 | 94.6 | -176.8 | -171.7 | -177 | -169.8 | -179.7 | 0 | 111.6 | ||||
| 78 | G | 59.4 | Low | 57.8 | Low | 58 Ų | 58 | 133.5 Ų | 133.5 | 60% | 0.598 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 147.4 | 167 | 0 | 0 | 0 | 0 | 0 | 110.7 | E76 | E76-G78 PolarHBondContact O-N 3.44Š|
| 79 | D | 60.1 | Low | 58.2 | Low | 156 Ų | 156 | 135.8 Ų | 135.8 | 83% | 0.834 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 143.4 | 175.3 | -69.5 | -48.1 | 0 | 0 | 0 | 110.9 | G81 | D79-G81 PolarHBondContact O-N 3.39Š|
| 80 | P | 65.9 | Low | 58.3 | Low | 120 Ų | 120 | 134.8 Ų | 134.8 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 127 | -180 | -24.9 | 32.6 | 0 | 0 | 0 | 111 | I82 | P80-I82 PolarHBondContact O-N 3.02Š|
| 81 | G | 66.6 | Low | 59.1 | Low | 70 Ų | 70 | 132.8 Ų | 132.8 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 135.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | D79 | D79-G81 PolarHBondContact O-N 3.39Š|
| 82 | I | 65.9 | Low | 59.9 | Low | 162 Ų | 162 | 133.4 Ų | 133.4 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 129.6 | -179 | -48.2 | 170.1 | 0 | 0 | 0 | 108.1 | P80 G84 | P80-I82 PolarHBondContact O-N 3.02Å; I82-G84 PolarHBondContact O-N 3.14Å |
| 83 | P | 69.1 | Low | 60.8 | Low | 112 Ų | 112 | 132.3 Ų | 132.3 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 133.8 | 176.4 | -26.6 | 34 | 0 | 0 | 0 | 111 | N85 | P83-N85 PolarHBondContact O-N 3.07Š|
| 84 | G | 67.1 | Low | 62.1 | Low | 71 Ų | 71 | 129.1 Ų | 129.1 | 73% | 0.732 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -56 | 140.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111 | I82 | I82-G84 PolarHBondContact O-N 3.14Š|
| 85 | N | 67.3 | Low | 63.2 | Low | 157 Ų | 157 | 127.7 Ų | 127.7 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 142.2 | 179.4 | -70.4 | -43.6 | 0 | 0 | 0 | 110.8 | P83 G87 | P83-N85 PolarHBondContact O-N 3.07Å; N85-G87 PolarHBondContact O-N 3.28Å |
| 86 | P | 66.8 | Low | 64.2 | Low | 122 Ų | 122 | 126.6 Ų | 126.6 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 140 | 173.1 | -25 | 33.3 | 0 | 0 | 0 | 111.4 | ||
| 87 | G | 65.1 | Low | 65.2 | Low | 72 Ų | 72 | 123.2 Ų | 123.2 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 146 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | N85 V89 | N85-G87 PolarHBondContact O-N 3.28Å; G87-V89 PolarHBondContact O-N 3.36Å |
| 88 | K | 66.6 | Low | 65.9 | Low | 214 Ų | 214 | 123 Ų | 123 | 93% | 0.93 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 140 | 177.3 | -64.9 | -175.8 | -179.4 | -178.6 | 0 | 110.1 | G90 | K88-G90 PolarHBondContact O-N 3.08Š|
| 89 | V | 68.8 | Low | 66.1 | Low | 144 Ų | 144 | 122.9 Ų | 122.9 | 87% | 0.873 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 130.8 | 172.7 | -178.9 | 0 | 0 | 0 | 0 | 108.6 | G87 | G87-V89 PolarHBondContact O-N 3.36Š|
| 90 | G | 65.3 | Low | 66.8 | Low | 55 Ų | 55 | 118.4 Ų | 118.4 | 57% | 0.567 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -62 | 157 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K88 | K88-G90 PolarHBondContact O-N 3.08Š|
| 91 | P | 68.1 | Low | 66.9 | Low | 129 Ų | 129 | 119.2 Ų | 119.2 | 84% | 0.838 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -61 | 147.9 | 178 | 26.6 | -33.8 | 0 | 0 | 0 | 111.2 | G93 | P91-G93 PolarHBondContact O-N 3Š|
| 92 | K | 65.4 | Low | 66.8 | Low | 209 Ų | 209 | 118.8 Ų | 118.8 | 91% | 0.909 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 133.9 | 172 | -171 | 178.2 | -179.7 | -179.9 | 0 | 108.9 | ||
| 93 | G | 66 | Low | 67.1 | Low | 46 Ų | 46 | 115.2 Ų | 115.2 | 47% | 0.474 | 75% | 0.751 | S | S | . | * | P | Polyproline II helix | trans | -59 | 157.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | P91 | P91-G93 PolarHBondContact O-N 3Š|
| 94 | P | 68.7 | Low | 67.1 | Low | 124 Ų | 124 | 116 Ų | 116 | 81% | 0.805 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 151.8 | 178.5 | 26.4 | -34.1 | 0 | 0 | 0 | 111.4 | G96 | P94-G96 PolarHBondContact O-N 3.35Š|
| 95 | M | 65.8 | Low | 67.2 | Low | 188 Ų | 188 | 115.6 Ų | 115.6 | 93% | 0.926 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 133.3 | 172.8 | -173.3 | 161 | 67.2 | 0 | 0 | 109.4 | ||
| 96 | G | 67.1 | Low | 67.5 | Low | 43 Ų | 43 | 112.4 Ų | 112.4 | 44% | 0.443 | 75% | 0.747 | S | S | . | * | P | Polyproline II helix | trans | -61.5 | 159.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | P94 | P94-G96 PolarHBondContact O-N 3.35Š|
| 97 | P | 66.6 | Low | 67.9 | Low | 123 Ų | 123 | 112.8 Ų | 112.8 | 80% | 0.799 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 147.8 | 178 | 26.4 | -33.8 | 0 | 0 | 0 | 111.2 | G99 | P97-G99 PolarHBondContact O-N 3.23Š|
| 98 | K | 63.3 | Low | 68.1 | Low | 207 Ų | 207 | 112.2 Ų | 112.2 | 90% | 0.9 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 131.7 | 173.4 | -171.4 | 176.4 | 179.7 | 179.2 | 0 | 108.9 | ||
| 99 | G | 63.8 | Low | 68.5 | Low | 57 Ų | 57 | 108.2 Ų | 108.2 | 59% | 0.588 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 146.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | P97 | P97-G99 PolarHBondContact O-N 3.23Š|
| 100 | G | 73.7 | Confident | 68.6 | Low | 62 Ų | 62 | 111 Ų | 111 | 64% | 0.639 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -64 | 163.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 101 | P | 67.9 | Low | 68.3 | Low | 136 Ų | 136 | 111.2 Ų | 111.2 | 88% | 0.883 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 140.1 | 172.4 | -21.7 | 32.7 | 0 | 0 | 0 | 111.3 | ||
| 102 | G | 64.8 | Low | 67.9 | Low | 61 Ų | 61 | 114.3 Ų | 114.3 | 63% | 0.629 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 154.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 103 | A | 71.8 | Confident | 67.4 | Low | 88 Ų | 88 | 108.9 Ų | 108.9 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 150.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111 | G105 | A103-G105 PolarHBondContact O-N 3.13Š|
| 104 | P | 69.6 | Low | 66.9 | Low | 129 Ų | 129 | 110 Ų | 110 | 84% | 0.838 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 139.3 | 170.7 | -24.5 | 33.9 | 0 | 0 | 0 | 111.1 | ||
| 105 | G | 68 | Low | 66 | Low | 61 Ų | 61 | 109.7 Ų | 109.7 | 63% | 0.629 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 151.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A103 | A103-G105 PolarHBondContact O-N 3.13Š|
| 106 | A | 75.5 | Confident | 65.4 | Low | 91 Ų | 91 | 109 Ų | 109 | 75% | 0.752 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 150.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | G108 | A106-G108 PolarHBondContact O-N 3.08Š|
| 107 | P | 74.5 | Confident | 64.4 | Low | 129 Ų | 129 | 116.3 Ų | 116.3 | 84% | 0.838 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 139.1 | 169.2 | -24.7 | 34 | 0 | 0 | 0 | 110.8 | ||
| 108 | G | 69.1 | Low | 63.6 | Low | 60 Ų | 60 | 111.5 Ų | 111.5 | 62% | 0.619 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 155.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A106 | A106-G108 PolarHBondContact O-N 3.08Š|
| 109 | P | 75.4 | Confident | 63.3 | Low | 130 Ų | 130 | 107.4 Ų | 107.4 | 84% | 0.844 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 144.5 | 175.3 | 25.8 | -33.5 | 0 | 0 | 0 | 110.1 | G111 | P109-G111 PolarHBondContact O-N 3.16Š|
| 110 | K | 70 | Confident | 63.9 | Low | 202 Ų | 202 | 107.4 Ų | 107.4 | 88% | 0.878 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 133.3 | 170.7 | -173 | 179.7 | 179.1 | -178.7 | 0 | 108.1 | ||
| 111 | G | 59.4 | Low | 64.4 | Low | 61 Ų | 61 | 109.2 Ų | 109.2 | 63% | 0.629 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 148.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | P109 S113 | P109-G111 PolarHBondContact O-N 3.16Å; G111-S113 PolarHBondContact O-N 3.18Å |
| 112 | E | 59.7 | Low | 65.7 | Low | 194 Ų | 194 | 103.1 Ų | 103.1 | 91% | 0.907 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 140.7 | 176.8 | -64.5 | -171.2 | 153.6 | 0 | 0 | 110.1 | G114 | E112-G114 PolarHBondContact O-N 3.46Š|
| 113 | S | 55.3 | Low | 67.3 | Low | 94 Ų | 94 | 101.4 Ų | 101.4 | 66% | 0.657 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 137.4 | 173.3 | -172.6 | 0 | 0 | 0 | 0 | 108.7 | G111 D115 | G111-S113 PolarHBondContact O-N 3.18Å; S113-D115 CarbonylContact O-C 3.51Å; S113-D115 PolarHBondContact O-N 3.46Å |
| 114 | G | 54.9 | Low | 68.6 | Low | 70 Ų | 70 | 97.4 Ų | 97.4 | 72% | 0.722 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -62.3 | 6.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | E112 Y116 | E112-G114 PolarHBondContact O-N 3.46Å; G114-Y116 VanDerWaalsContact O-CD1 3.22Å; G114-Y116 WeakPolarHBondContact O-CD1 3.39Å; G114-Y116 PolarHBondContact O-N 3.49Å |
| 115 | D | 50.6 | Low | 69.9 | Low | 117 Ų | 117 | 92.7 Ų | 92.7 | 63% | 0.626 | 56% | 0.559 | S | S | * | * | trans | -70.7 | 68.8 | 156.3 | -107.9 | -25.4 | 0 | 0 | 0 | 108.3 | S113 K117 | S113-D115 CarbonylContact O-C 3.51Å; S113-D115 PolarHBondContact O-N 3.46Å; D115-K117 PolarHBondContact O-N 3.21Å; D115-K117 VanDerWaalsContact O-N 3.1Å | ||
| 116 | Y | 51.7 | Low | 71.4 | Confident | 175 Ų | 175 | 89.8 Ų | 89.8 | 69% | 0.686 | 53% | 0.529 | S | S | * | . | trans | -50.5 | 125.1 | 146.5 | 63.1 | -80.1 | 0 | 0 | 0 | 103.9 | G114 A118 | G114-Y116 VanDerWaalsContact O-CD1 3.22Å; G114-Y116 WeakPolarHBondContact O-CD1 3.39Å; G114-Y116 PolarHBondContact O-N 3.49Å; Y116-A118 HydrophobicContact CD2-CB 3.71Å; Y116-A118 HydrophobicContact CE2-CB 3.27Å; Y116-A118 PolarHBondContact O-N 3.33Å | ||
| 117 | K | 47.2 | Very low | 72.5 | Confident | 196 Ų | 196 | 86.1 Ų | 86.1 | 85% | 0.852 | 50% | 0.497 | S | S | * | . | trans | -60.9 | 84.2 | 174.3 | -69.1 | -177.2 | 179.9 | 178.7 | 0 | 106.9 | D115 T119 | D115-K117 PolarHBondContact O-N 3.21Å; D115-K117 VanDerWaalsContact O-N 3.1Å; K117-T119 PolarHBondContact O-N 2.83Å | ||
| 118 | A | 50.2 | Low | 73.6 | Confident | 21 Ų | 21 | 80.3 Ų | 80.3 | 17% | 0.174 | 46% | 0.459 | C | S | . | . | trans | -68.4 | 82.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 104.4 | Y116 Q120 K121 | Y116-A118 HydrophobicContact CD2-CB 3.71Å; Y116-A118 HydrophobicContact CE2-CB 3.27Å; Y116-A118 PolarHBondContact O-N 3.33Å; A118-Q120 PolarHBondContact O-N 2.93Å; A118-K121 HydrophobicContact CB-CG 3.84Å; A118-K121 WeakPolarHBondContact O-CG 3.42Å | ||
| 119 | T | 56.9 | Low | 74.9 | Confident | 122 Ų | 122 | 80.9 Ų | 80.9 | 75% | 0.748 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -58.3 | -23.9 | 165.7 | 41.8 | 0 | 0 | 0 | 0 | 109.5 | K117 | K117-T119 PolarHBondContact O-N 2.83Š|
| 120 | Q | 75.2 | Confident | 75.8 | Confident | 56 Ų | 56 | 76.8 Ų | 76.8 | 26% | 0.262 | 42% | 0.421 | S | S | . | . | trans | -108.7 | 70 | -176.3 | -63.5 | 163 | -2.6 | 0 | 0 | 111.7 | A118 I122 V164 L246 | A118-Q120 PolarHBondContact O-N 2.93Å; Q120-I122 PolarHBondContact O-N 2.78Å; Q120-V164 HydrophobicContact CB-CG1 4.36Å; Q120-V164 HydrophobicContact CB-CG2 4.4Å; Q120-V164 HydrophobicContact CG-CG1 4.21Å; Q120-V164 HydrophobicContact CG-CG2 4.03Å; Q120-L246 HydrophobicContact CB-CD2 4.26Å | ||
| 121 | K | 85.8 | Confident | 76.5 | Confident | 101 Ų | 101 | 71.9 Ų | 71.9 | 44% | 0.439 | 40% | 0.404 | S | S | . | . | trans | -87.7 | 89.7 | 172.5 | -65.7 | -179.8 | -174.9 | -174.9 | 0 | 111 | A118 M149 N150 | A118-K121 HydrophobicContact CB-CG 3.84Å; A118-K121 WeakPolarHBondContact O-CG 3.42Å; K121-M149 HydrophobicContact CB-CE 3.63Å; K121-M149 HydrophobicContact CB-SD 4.5Å; K121-M149 HydrophobicContact CD-CE 3.81Å; K121-M149 HydrophobicContact CG-CE 4.3Å; K121-M149 VanDerWaalsContact O-CB 3.27Å; K121-M149 WeakPolarHBondContact O-CB 3.32Å; K121-N150 PolarHBondContact O-ND2 2.81Å | ||
| 122 | I | 94.6 | Very high | 78.1 | Confident | 7 Ų | 7 | 73.4 Ų | 73.4 | 4% | 0.036 | 40% | 0.401 | C | S | . | . | trans | -103.9 | 117.4 | 177.1 | -61.3 | 167.4 | 0 | 0 | 0 | 109.2 | Q120 N150 N152 F160 V164 Y168 F245 L246 | Q120-I122 PolarHBondContact O-N 2.78Å; I122-N150 HydrophobicContact CG1-CB 4.22Å; I122-N152 HydrophobicContact CG2-CB 3.99Å; I122-F160 HydrophobicContact CG2-CE2 3.75Å; I122-F160 HydrophobicContact CG2-CZ 3.95Å; I122-V164 HydrophobicContact CD1-CB 3.57Å; I122-V164 HydrophobicContact CD1-CG2 3.58Å; I122-Y168 HydrophobicContact CB-CE1 4.22Å; I122-Y168 HydrophobicContact CD1-CE1 4.49Å; I122-Y168 VanDerWaalsContact CD1-OH 3.23Å; I122-Y168 WeakPolarHBondContact CD1-OH 3.11Å; I122-Y168 HydrophobicContact CG2-CE1 3.85Å; I122-F245 CarbonylContact O-C 3.48Å; I122-F245 VanDerWaalsContact O-CA 3.24Å; I122-F245 WeakPolarHBondContact O-CA 3.47Å; I122-F245 WeakPolarHBondContact O-CB 3.4Å; I122-L246 HydrophobicContact CB-CB 4.08Å; I122-L246 PolarHBondContact O-N 2.95Å | ||
| 123 | A | 97.6 | Very high | 79.7 | Confident | 26 Ų | 26 | 69.2 Ų | 69.2 | 22% | 0.215 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 140.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | N148 M149 G244 F245 | A123-N148 CarbonylContact O-C 3.54Å; A123-N148 WeakPolarHBondContact O-CA 3.29Å; A123-M149 HydrophobicContact CB-SD 4.21Å; A123-M149 PolarHBondContact O-N 3.25Å; A123-G244 CarbonylContact C-O 3.6Å; A123-G244 VanDerWaalsContact CA-O 3.32Å; A123-G244 WeakPolarHBondContact CA-O 3.44Å; A123-F245 HydrophobicContact CB-CB 3.86Å |
| 124 | F | 98.7 | Very high | 81.7 | Confident | 3 Ų | 3 | 65 Ų | 65 | 1% | 0.013 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 153.6 | 169.5 | 78.5 | -81.2 | 0 | 0 | 0 | 111.6 | T147 N148 Y153 F160 F170 F242 S243 G244 | F124-T147 CarbonylContact C-O 3.55Å; F124-T147 WeakPolarHBondContact CA-O 3.23Å; F124-T147 WeakPolarHBondContact CB-O 3.45Å; F124-N148 HydrophobicContact CB-CB 4.48Å; F124-Y153 HydrophobicContact CB-CG 4.31Å; F124-Y153 AromaticContact CD2-CD1 3.95Å; F124-Y153 HydrophobicContact CD2-CD1 3.95Å; F124-Y153 AromaticContact CD2-CD2 3.51Å; F124-Y153 HydrophobicContact CD2-CD2 3.51Å; F124-Y153 HydrophobicContact CD2-CE2 4.18Å; F124-Y153 AromaticContact CD2-CG 3.39Å; F124-Y153 HydrophobicContact CD2-CG 3.39Å; F124-Y153 AromaticContact CE2-CD2 3.37Å; F124-Y153 HydrophobicContact CE2-CD2 3.37Å; F124-Y153 AromaticContact CE2-CE2 3.78Å; F124-Y153 HydrophobicContact CE2-CE2 3.78Å; F124-Y153 AromaticContact CE2-CG 3.8Å; F124-Y153 HydrophobicContact CE2-CG 3.8Å; F124-Y153 VanDerWaalsContact CG-CB 3.47Å; F124-Y153 HydrophobicContact CG-CD2 4.17Å; F124-Y153 AromaticContact CG-CG 3.84Å; F124-Y153 HydrophobicContact CG-CG 3.84Å; F124-Y153 AromaticContact CZ-CD2 3.92Å; F124-Y153 HydrophobicContact CZ-CD2 3.92Å; F124-Y153 HydrophobicContact CZ-CE2 4.49Å; F124-F160 AromaticContact CD1-CD2 3.54Å; F124-F160 HydrophobicContact CD1-CD2 3.54Å; F124-F160 HydrophobicContact CD1-CE2 4.07Å; F124-F160 HydrophobicContact CD1-CG 4.48Å; F124-F160 HydrophobicContact CE1-CB 4Å; F124-F160 AromaticContact CE1-CD2 3.44Å; F124-F160 HydrophobicContact CE1-CD2 3.44Å; F124-F160 VanDerWaalsContact CE1-CD2 3.44Å; F124-F160 HydrophobicContact CE1-CE2 4.19Å; F124-F160 AromaticContact CE1-CG 3.97Å; F124-F160 HydrophobicContact CE1-CG 3.97Å; F124-F160 HydrophobicContact CZ-CB 4.25Å; F124-F160 HydrophobicContact CZ-CD2 4.45Å; F124-F170 HydrophobicContact CE1-CD1 4.15Å; F124-F170 AromaticContact CE1-CE1 3.9Å; F124-F170 HydrophobicContact CE1-CE1 3.9Å; F124-F170 HydrophobicContact CZ-CD1 4.25Å; F124-F170 HydrophobicContact CZ-CE1 4.34Å; F124-F242 AromaticContact CE2-CD1 3.68Å; F124-F242 HydrophobicContact CE2-CD1 3.68Å; F124-F242 AromaticContact CE2-CE1 3.94Å; F124-F242 HydrophobicContact CE2-CE1 3.94Å; F124-F242 HydrophobicContact CE2-CG 4.1Å; F124-F242 WeakPolarHBondContact CE2-O 3.48Å; F124-F242 AromaticContact CZ-CD1 3.84Å; F124-F242 HydrophobicContact CZ-CD1 3.84Å; F124-F242 AromaticContact CZ-CE1 3.62Å; F124-F242 HydrophobicContact CZ-CE1 3.62Å; F124-F242 HydrophobicContact CZ-CE2 4.37Å; F124-F242 HydrophobicContact CZ-CG 4.31Å; F124-F242 AromaticContact CZ-CZ 3.9Å; F124-F242 HydrophobicContact CZ-CZ 3.9Å; F124-S243 CarbonylContact O-C 3.57Å; F124-S243 WeakPolarHBondContact O-CA 3.37Å; F124-S243 WeakPolarHBondContact O-CB 3.4Å; F124-G244 VanDerWaalsContact CD1-O 3.32Å; F124-G244 WeakPolarHBondContact CD1-O 3.31Å; F124-G244 VanDerWaalsContact CE1-N 3.29Å; F124-G244 PolarHBondContact N-O 3.29Å; F124-G244 PolarHBondContact O-N 3.07Å |
| 125 | S | 98.8 | Very high | 83.7 | Confident | 31 Ų | 31 | 71.2 Ų | 71.2 | 22% | 0.217 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 123.5 | 167.8 | -77.3 | 0 | 0 | 0 | 0 | 107.4 | I146 T147 F242 S243 | S125-I146 WeakPolarHBondContact O-CA 3.47Å; S125-I146 WeakPolarHBondContact O-CB 3.32Å; S125-I146 PolarHBondContact O-N 3.02Å; S125-T147 PolarHBondContact N-O 3.38Å; S125-T147 PolarHBondContact O-N 2.82Å; S125-T147 VanDerWaalsContact O-N 3.1Å; S125-F242 WeakPolarHBondContact CA-O 3.07Å; S125-S243 WeakPolarHBondContact CB-OG 3.36Å; S125-S243 PolarHBondContact OG-OG 2.92Å |
| 126 | A | 98.7 | Very high | 85.9 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 136.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | F142 H144 Y153 I241 F242 | A126-F142 HydrophobicContact CB-CB 3.78Å; A126-F142 WeakPolarHBondContact O-CB 3.25Å; A126-F142 WeakPolarHBondContact O-CD1 3.31Å; A126-H144 CarbonylContact C-O 3.51Å; A126-H144 VanDerWaalsContact CA-O 3.26Å; A126-H144 WeakPolarHBondContact CA-O 3.47Å; A126-Y153 HydrophobicContact CB-CD1 3.98Å; A126-Y153 HydrophobicContact CB-CE1 3.34Å; A126-I241 CarbonylContact O-C 3.57Å; A126-I241 WeakPolarHBondContact O-CA 3.43Å; A126-F242 PolarHBondContact N-O 2.96Å; A126-F242 PolarHBondContact O-N 2.69Å |
| 127 | T | 98.5 | Very high | 88.1 | Confident | 13 Ų | 13 | 67.8 Ų | 67.8 | 8% | 0.08 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 153.4 | 174.8 | 48.9 | 0 | 0 | 0 | 0 | 111.1 | F142 D143 H144 I146 S240 I241 | T127-F142 CarbonylContact O-C 3.6Å; T127-F142 VanDerWaalsContact O-C 3.31Å; T127-F142 WeakPolarHBondContact O-CA 3.4Å; T127-D143 PolarHBondContact O-N 3.42Å; T127-D143 VanDerWaalsContact O-N 3.09Å; T127-H144 PolarHBondContact N-O 3.02Å; T127-H144 PolarHBondContact O-N 3.23Å; T127-H144 PolarHBondContact OG1-ND1 2.77Å; T127-H144 PolarHBondContact OG1-O 2.69Å; T127-I146 HydrophobicContact CG2-CD1 3.72Å; T127-I146 HydrophobicContact CG2-CG1 4.48Å; T127-S240 CarbonylContact C-O 3.5Å; T127-S240 WeakPolarHBondContact CA-O 3.4Å; T127-I241 HydrophobicContact CG2-CB 3.97Å; T127-I241 HydrophobicContact CG2-CD1 4.3Å; T127-I241 HydrophobicContact CG2-CG1 4.07Å |
| 128 | R | 97.8 | Very high | 90.5 | Very high | 8 Ų | 8 | 62.2 Ų | 62.2 | 3% | 0.03 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 126.2 | 171.2 | 178.3 | 176.6 | 177.6 | 79.3 | -0.6 | 109.1 | I130 V132 R141 F142 D143 G234 S240 | R128-I130 PolarHBondContact NE-O 3.11Å; R128-I130 PolarHBondContact NH2-O 3.11Å; R128-V132 PolarHBondContact NH2-O 2.92Å; R128-R141 PolarHBondContact NH1-O 3.45Å; R128-F142 HydrophobicContact CB-CD1 3.83Å; R128-F142 HydrophobicContact CB-CE1 4.29Å; R128-F142 HydrophobicContact CB-CG 4.34Å; R128-D143 WeakPolarHBondContact CA-OD1 3.16Å; R128-G234 CarbonylContact O-C 3.51Å; R128-G234 WeakPolarHBondContact O-CA 3.16Å; R128-S240 PolarHBondContact N-O 3.09Å |
| 129 | T | 96.2 | Very high | 92.8 | Very high | 71 Ų | 71 | 62.9 Ų | 62.9 | 44% | 0.436 | 32% | 0.324 | S | S | . | . | trans | -114.5 | -9.1 | 171.4 | 72.9 | 0 | 0 | 0 | 0 | 112.5 | N131 D143 H144 G234 | T129-N131 PolarHBondContact O-ND2 2.84Å; T129-D143 PolarHBondContact N-OD1 2.95Å; T129-D143 PolarHBondContact OG1-OD2 2.59Å; T129-H144 HydrophobicContact CG2-CB 3.82Å; T129-G234 CarbonylContact C-O 3.58Å | ||
| 130 | I | 93.3 | Very high | 94.8 | Very high | 44 Ų | 44 | 57.2 Ų | 57.2 | 23% | 0.226 | 29% | 0.289 | C | S | . | . | trans | -77.3 | 126.4 | 177.2 | -59.9 | 160.9 | 0 | 0 | 0 | 110.7 | R128 V132 R141 D143 | R128-I130 PolarHBondContact NE-O 3.11Å; R128-I130 PolarHBondContact NH2-O 3.11Å; I130-V132 HydrophobicContact CG2-CB 3.88Å; I130-V132 HydrophobicContact CG2-CG2 3.7Å; I130-R141 HydrophobicContact CD1-CG 4.39Å; I130-D143 HydrophobicContact CD1-CB 3.62Å; I130-D143 WeakPolarHBondContact CD1-OD1 3.47Å; I130-D143 HydrophobicContact CG1-CB 4.27Å; I130-D143 WeakPolarHBondContact CG1-OD1 3.48Å; I130-D143 PolarHBondContact N-OD1 2.83Å | ||
| 131 | N | 86.6 | Confident | 95.9 | Very high | 99 Ų | 99 | 59 Ų | 59 | 53% | 0.529 | 29% | 0.294 | S | S | . | . | trans | -106 | 19.8 | 178.1 | -68.9 | -59.8 | 0 | 0 | 0 | 114 | T129 G234 | T129-N131 PolarHBondContact O-ND2 2.84Å; N131-G234 PolarHBondContact ND2-O 2.97Å; N131-G234 PolarHBondContact OD1-N 3.44Å; N131-G234 PolarHBondContact OD1-O 3.35Å | ||
| 132 | V | 92.6 | Very high | 96.5 | Very high | 94 Ų | 94 | 54.3 Ų | 54.3 | 57% | 0.57 | 27% | 0.273 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 130.9 | 172.7 | 179.5 | 0 | 0 | 0 | 0 | 109.6 | R128 I130 L134 | R128-V132 PolarHBondContact NH2-O 2.92Å; I130-V132 HydrophobicContact CG2-CB 3.88Å; I130-V132 HydrophobicContact CG2-CG2 3.7Å; V132-L134 PolarHBondContact O-N 3.44Å |
| 133 | P | 92.7 | Very high | 96.7 | Very high | 105 Ų | 105 | 55.8 Ų | 55.8 | 68% | 0.682 | 28% | 0.281 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 132.6 | 176 | -25.6 | 34.3 | 0 | 0 | 0 | 112 | ||
| 134 | L | 96.6 | Very high | 96.7 | Very high | 7 Ų | 7 | 59.2 Ų | 59.2 | 4% | 0.037 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -84.3 | 138.8 | 179.8 | -68.7 | 162.9 | 0 | 0 | 0 | 110.6 | V132 I140 A226 N230 L232 | V132-L134 PolarHBondContact O-N 3.44Å; L134-I140 HydrophobicContact CD1-CD1 4.25Å; L134-I140 HydrophobicContact CD1-CG1 4Å; L134-I140 HydrophobicContact CD1-CG2 4.22Å; L134-I140 HydrophobicContact CD2-CG1 4.49Å; L134-A226 HydrophobicContact CB-CB 3.75Å; L134-A226 HydrophobicContact CD1-CB 4.18Å; L134-A226 HydrophobicContact CG-CB 4.4Å; L134-N230 HydrophobicContact CB-CB 4.32Å; L134-N230 PolarHBondContact O-ND2 2.72Å; L134-L232 HydrophobicContact CD1-CB 4.1Å; L134-L232 HydrophobicContact CD1-CD2 3.66Å |
| 135 | R | 97.6 | Very high | 96.7 | Very high | 200 Ų | 200 | 61.7 Ų | 61.7 | 76% | 0.755 | 31% | 0.307 | S | S | * | . | P | Polyproline II helix | trans | -91.2 | 158.8 | 171.1 | -63 | -177 | -179.5 | 129.5 | -0.3 | 110.6 | D137 Q138 A226 | R135-D137 PolarHBondContact O-N 2.86Å; R135-Q138 HydrophobicContact CB-CB 4.43Å; R135-Q138 WeakPolarHBondContact O-CB 3.19Å; R135-Q138 PolarHBondContact O-N 3.44Å; R135-A226 WeakPolarHBondContact O-CB 3.42Å |
| 136 | R | 97.8 | Very high | 96.6 | Very high | 142 Ų | 142 | 65 Ų | 65 | 54% | 0.536 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 139.8 | 170.5 | -164.1 | -165.7 | -170.4 | -96.6 | 3.5 | 110.3 | Q138 D228 | R136-Q138 PolarHBondContact O-N 3.43Å; R136-Q138 VanDerWaalsContact O-N 3.07Å; R136-D228 WeakPolarHBondContact CB-OD1 3.33Å; R136-D228 WeakPolarHBondContact CD-OD1 3.22Å; R136-D228 WeakPolarHBondContact CG-OD1 3.37Å; R136-D228 IonicContact NE-OD1 3.33Å; R136-D228 IonicContact NE-OD2 3.23Å; R136-D228 PolarHBondContact NE-OD2 2.82Å |
| 137 | D | 97.4 | Very high | 96.6 | Very high | 77 Ų | 77 | 67.8 Ų | 67.8 | 41% | 0.412 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | 3.2 | 178.8 | -48.7 | -52.8 | 0 | 0 | 0 | 115.2 | R135 Q225 A226 | R135-D137 PolarHBondContact O-N 2.86Å; D137-Q225 WeakPolarHBondContact O-CG 3.38Å; D137-Q225 PolarHBondContact O-NE2 2.86Å; D137-A226 PolarHBondContact N-O 3.47Å |
| 138 | Q | 97.9 | Very high | 96.6 | Very high | 80 Ų | 80 | 68.5 Ų | 68.5 | 37% | 0.374 | 34% | 0.342 | S | S | . | . | trans | -74.3 | 135.3 | 174.7 | -171.3 | 179.6 | -4 | 0 | 0 | 111 | R135 R136 I140 Q225 A226 | R135-Q138 HydrophobicContact CB-CB 4.43Å; R135-Q138 WeakPolarHBondContact O-CB 3.19Å; R135-Q138 PolarHBondContact O-N 3.44Å; R136-Q138 PolarHBondContact O-N 3.43Å; R136-Q138 VanDerWaalsContact O-N 3.07Å; Q138-I140 PolarHBondContact O-N 3.19Å; Q138-Q225 WeakPolarHBondContact O-CA 3.36Å; Q138-A226 PolarHBondContact O-N 3.1Å | ||
| 139 | T | 98.1 | Very high | 96.4 | Very high | 35 Ų | 35 | 72.2 Ų | 72.2 | 22% | 0.215 | 36% | 0.361 | C | S | . | . | B | Isolated β-bridge | trans | -63.5 | 129.9 | 169.5 | -58 | 0 | 0 | 0 | 0 | 110.5 | R141 S157 K159 F223 | T139-R141 PolarHBondContact O-N 2.85Å; T139-S157 WeakPolarHBondContact CG2-O 3.44Å; T139-K159 HydrophobicContact CG2-CG 4.32Å; T139-F223 HydrophobicContact CG2-CB 4.1Å; T139-F223 HydrophobicContact CG2-CD2 3.68Å; T139-F223 HydrophobicContact CG2-CE2 4.42Å; T139-F223 HydrophobicContact CG2-CG 4.12Å |
| 140 | I | 98.4 | Very high | 96.3 | Very high | 2 Ų | 2 | 72.8 Ų | 72.8 | 1% | 0.01 | 36% | 0.362 | C | S | . | . | trans | -80.4 | 115.1 | 177.2 | -54.1 | -178.8 | 0 | 0 | 0 | 108.2 | L134 Q138 F142 V182 L224 A226 L232 | L134-I140 HydrophobicContact CD1-CD1 4.25Å; L134-I140 HydrophobicContact CD1-CG1 4Å; L134-I140 HydrophobicContact CD1-CG2 4.22Å; L134-I140 HydrophobicContact CD2-CG1 4.49Å; Q138-I140 PolarHBondContact O-N 3.19Å; I140-F142 HydrophobicContact CB-CE2 4.11Å; I140-F142 HydrophobicContact CG2-CD2 4.3Å; I140-F142 HydrophobicContact CG2-CE2 3.58Å; I140-F142 HydrophobicContact CG2-CZ 3.9Å; I140-V182 HydrophobicContact CD1-CG1 3.91Å; I140-V182 HydrophobicContact CD1-CG2 4.14Å; I140-L224 HydrophobicContact CB-CB 4.19Å; I140-L224 HydrophobicContact CD1-CB 4.18Å; I140-L224 HydrophobicContact CG1-CB 4.43Å; I140-L224 PolarHBondContact N-O 2.88Å; I140-A226 HydrophobicContact CD1-CB 4.24Å; I140-A226 HydrophobicContact CG1-CB 4Å; I140-L232 HydrophobicContact CD1-CD2 4.37Å; I140-L232 HydrophobicContact CG2-CD2 3.58Å | ||
| 141 | R | 98.2 | Very high | 96.4 | Very high | 95 Ų | 95 | 76.4 Ų | 76.4 | 36% | 0.358 | 38% | 0.381 | S | S | . | . | trans | -87.6 | 125.5 | 178.6 | -172.3 | -177.8 | 167.5 | -171.7 | -9.6 | 110.8 | R128 I130 T139 D143 P155 R156 | R128-R141 PolarHBondContact NH1-O 3.45Å; I130-R141 HydrophobicContact CD1-CG 4.39Å; T139-R141 PolarHBondContact O-N 2.85Å; R141-D143 HydrophobicContact CG-CB 4.3Å; R141-P155 WeakPolarHBondContact CD-O 3.42Å; R141-P155 WeakPolarHBondContact CG-O 3.25Å; R141-P155 PolarHBondContact NE-O 2.87Å; R141-R156 VanDerWaalsContact CD-O 3.3Å; R141-R156 WeakPolarHBondContact CD-O 3.47Å; R141-R156 PolarHBondContact NE-O 3.2Å | ||
| 142 | F | 98.4 | Very high | 97 | Very high | 2 Ų | 2 | 71.9 Ų | 71.9 | 1% | 0.009 | 36% | 0.357 | C | S | . | . | trans | -107.1 | 99.2 | 165.4 | -55.8 | -107.3 | 0 | 0 | 0 | 107.4 | A126 T127 R128 I140 Y153 L224 F242 | A126-F142 HydrophobicContact CB-CB 3.78Å; A126-F142 WeakPolarHBondContact O-CB 3.25Å; A126-F142 WeakPolarHBondContact O-CD1 3.31Å; T127-F142 CarbonylContact O-C 3.6Å; T127-F142 VanDerWaalsContact O-C 3.31Å; T127-F142 WeakPolarHBondContact O-CA 3.4Å; R128-F142 HydrophobicContact CB-CD1 3.83Å; R128-F142 HydrophobicContact CB-CE1 4.29Å; R128-F142 HydrophobicContact CB-CG 4.34Å; I140-F142 HydrophobicContact CB-CE2 4.11Å; I140-F142 HydrophobicContact CG2-CD2 4.3Å; I140-F142 HydrophobicContact CG2-CE2 3.58Å; I140-F142 HydrophobicContact CG2-CZ 3.9Å; F142-Y153 WeakPolarHBondContact CA-OH 3.47Å; F142-Y153 VanDerWaalsContact CB-OH 3.28Å; F142-Y153 WeakPolarHBondContact CB-OH 3.46Å; F142-Y153 PolarHBondContact N-OH 3.42Å; F142-Y153 WeakPolarHBondContact O-CE1 3.22Å; F142-Y153 PolarHBondContact O-OH 3.46Å; F142-L224 HydrophobicContact CE2-CB 4.42Å; F142-L224 HydrophobicContact CE2-CD1 3.78Å; F142-L224 HydrophobicContact CE2-CG 4.49Å; F142-L224 HydrophobicContact CZ-CD1 3.75Å; F142-F242 HydrophobicContact CD1-CB 3.88Å; F142-F242 HydrophobicContact CD2-CB 3.66Å; F142-F242 HydrophobicContact CD2-CD1 4.27Å; F142-F242 HydrophobicContact CD2-CG 4.38Å; F142-F242 HydrophobicContact CE1-CB 3.83Å; F142-F242 HydrophobicContact CE2-CB 3.63Å; F142-F242 HydrophobicContact CE2-CD1 4.39Å; F142-F242 HydrophobicContact CE2-CG 4.26Å; F142-F242 HydrophobicContact CG-CB 3.82Å; F142-F242 HydrophobicContact CZ-CB 3.72Å | ||
| 143 | D | 97.9 | Very high | 97.3 | Very high | 37 Ų | 37 | 67.7 Ų | 67.7 | 20% | 0.198 | 33% | 0.331 | C | S | . | . | trans | -88.4 | -21.1 | -162.7 | 57.2 | -74.1 | 0 | 0 | 0 | 114.1 | T127 R128 T129 I130 R141 | T127-D143 PolarHBondContact O-N 3.42Å; T127-D143 VanDerWaalsContact O-N 3.09Å; R128-D143 WeakPolarHBondContact CA-OD1 3.16Å; T129-D143 PolarHBondContact N-OD1 2.95Å; T129-D143 PolarHBondContact OG1-OD2 2.59Å; I130-D143 HydrophobicContact CD1-CB 3.62Å; I130-D143 WeakPolarHBondContact CD1-OD1 3.47Å; I130-D143 HydrophobicContact CG1-CB 4.27Å; I130-D143 WeakPolarHBondContact CG1-OD1 3.48Å; I130-D143 PolarHBondContact N-OD1 2.83Å; R141-D143 HydrophobicContact CG-CB 4.3Å | ||
| 144 | H | 98.1 | Very high | 97.5 | Very high | 99 Ų | 99 | 66.9 Ų | 66.9 | 46% | 0.458 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 107.1 | -177.9 | -178 | -83.6 | 0 | 0 | 0 | 110.4 | A126 T127 T129 | A126-H144 CarbonylContact C-O 3.51Å; A126-H144 VanDerWaalsContact CA-O 3.26Å; A126-H144 WeakPolarHBondContact CA-O 3.47Å; T127-H144 PolarHBondContact N-O 3.02Å; T127-H144 PolarHBondContact O-N 3.23Å; T127-H144 PolarHBondContact OG1-ND1 2.77Å; T127-H144 PolarHBondContact OG1-O 2.69Å; T129-H144 HydrophobicContact CG2-CB 3.82Å |
| 145 | V | 98.6 | Very high | 97.6 | Very high | 54 Ų | 54 | 67.9 Ų | 67.9 | 33% | 0.327 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 126.4 | -178.9 | 176.9 | 0 | 0 | 0 | 0 | 110.3 | N148 P155 | V145-N148 HydrophobicContact CG1-CB 3.6Å; V145-P155 HydrophobicContact CG2-CB 3.73Å; V145-P155 HydrophobicContact CG2-CG 3.81Å |
| 146 | I | 98.1 | Very high | 97.6 | Very high | 100 Ų | 100 | 68 Ų | 68 | 51% | 0.513 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | -50 | 167.8 | -58.7 | 175.2 | 0 | 0 | 0 | 109.1 | S125 T127 I241 | S125-I146 WeakPolarHBondContact O-CA 3.47Å; S125-I146 WeakPolarHBondContact O-CB 3.32Å; S125-I146 PolarHBondContact O-N 3.02Å; T127-I146 HydrophobicContact CG2-CD1 3.72Å; T127-I146 HydrophobicContact CG2-CG1 4.48Å; I146-I241 HydrophobicContact CD1-CD1 4.03Å |
| 147 | T | 98.3 | Very high | 97.6 | Very high | 60 Ų | 60 | 63.3 Ų | 63.3 | 37% | 0.368 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 141.5 | 178.9 | -56.6 | 0 | 0 | 0 | 0 | 109 | F124 S125 M149 | F124-T147 CarbonylContact C-O 3.55Å; F124-T147 WeakPolarHBondContact CA-O 3.23Å; F124-T147 WeakPolarHBondContact CB-O 3.45Å; S125-T147 PolarHBondContact N-O 3.38Å; S125-T147 PolarHBondContact O-N 2.82Å; S125-T147 VanDerWaalsContact O-N 3.1Å; T147-M149 HydrophobicContact CG2-CG 3.87Å |
| 148 | N | 97.7 | Very high | 97.6 | Very high | 28 Ų | 28 | 59.7 Ų | 59.7 | 15% | 0.15 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 68.3 | 173.4 | -168 | 11.4 | 0 | 0 | 0 | 111.1 | A123 F124 V145 N150 N151 N152 Y153 | A123-N148 CarbonylContact O-C 3.54Å; A123-N148 WeakPolarHBondContact O-CA 3.29Å; F124-N148 HydrophobicContact CB-CB 4.48Å; V145-N148 HydrophobicContact CG1-CB 3.6Å; N148-N150 PolarHBondContact O-N 2.76Å; N148-N151 PolarHBondContact O-N 2.92Å; N148-N151 WeakPolarHBondContact OD1-CA 3.35Å; N148-N152 PolarHBondContact OD1-N 2.77Å; N148-Y153 PolarHBondContact ND2-O 2.84Å; N148-Y153 PolarHBondContact OD1-N 2.95Å |
| 149 | M | 94.8 | Very high | 97.6 | Very high | 85 Ų | 85 | 59.1 Ų | 59.1 | 42% | 0.419 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 129.5 | 179 | -56.9 | -179.7 | 75 | 0 | 0 | 109.8 | K121 A123 T147 N151 | K121-M149 HydrophobicContact CB-CE 3.63Å; K121-M149 HydrophobicContact CB-SD 4.5Å; K121-M149 HydrophobicContact CD-CE 3.81Å; K121-M149 HydrophobicContact CG-CE 4.3Å; K121-M149 VanDerWaalsContact O-CB 3.27Å; K121-M149 WeakPolarHBondContact O-CB 3.32Å; A123-M149 HydrophobicContact CB-SD 4.21Å; A123-M149 PolarHBondContact O-N 3.25Å; T147-M149 HydrophobicContact CG2-CG 3.87Å; M149-N151 PolarHBondContact O-N 2.97Å |
| 150 | N | 92.5 | Very high | 97.7 | Very high | 84 Ų | 84 | 57.4 Ų | 57.4 | 45% | 0.449 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.2 | 11.2 | -175.3 | -68.6 | -53.9 | 0 | 0 | 0 | 116.4 | K121 I122 N148 N152 K163 | K121-N150 PolarHBondContact O-ND2 2.81Å; I122-N150 HydrophobicContact CG1-CB 4.22Å; N148-N150 PolarHBondContact O-N 2.76Å; N150-N152 PolarHBondContact O-N 2.6Å; N150-N152 PolarHBondContact O-OD1 3.1Å; N150-K163 PolarHBondContact O-NZ 3.41Å |
| 151 | N | 96.8 | Very high | 97.7 | Very high | 119 Ų | 119 | 59.7 Ų | 59.7 | 64% | 0.636 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 48.1 | 170.2 | -58 | -55.1 | 0 | 0 | 0 | 113.4 | N148 M149 K163 | N148-N151 PolarHBondContact O-N 2.92Å; N148-N151 WeakPolarHBondContact OD1-CA 3.35Å; M149-N151 PolarHBondContact O-N 2.97Å; N151-K163 PolarHBondContact O-NZ 2.71Å |
| 152 | N | 97.9 | Very high | 97.6 | Very high | 5 Ų | 5 | 55.3 Ų | 55.3 | 3% | 0.027 | 28% | 0.279 | C | S | . | . | trans | -89.8 | -18.8 | 177.3 | -76.2 | 59.6 | 0 | 0 | 0 | 112.5 | I122 N148 N150 F160 T161 K163 | I122-N152 HydrophobicContact CG2-CB 3.99Å; N148-N152 PolarHBondContact OD1-N 2.77Å; N150-N152 PolarHBondContact O-N 2.6Å; N150-N152 PolarHBondContact O-OD1 3.1Å; N152-F160 HydrophobicContact CB-CD2 3.78Å; N152-F160 HydrophobicContact CB-CE2 3.32Å; N152-F160 HydrophobicContact CB-CZ 3.94Å; N152-F160 CarbonylContact O-C 3.49Å; N152-F160 WeakPolarHBondContact O-CA 3.37Å; N152-T161 PolarHBondContact ND2-O 3.32Å; N152-T161 PolarHBondContact O-N 3.19Å; N152-K163 WeakPolarHBondContact ND2-CB 3.39Å; N152-K163 WeakPolarHBondContact ND2-CG 3.06Å; N152-K163 PolarHBondContact ND2-N 3.23Å | ||
| 153 | Y | 98.7 | Very high | 97.4 | Very high | 5 Ų | 5 | 59.9 Ų | 59.9 | 2% | 0.02 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 130.1 | 174.6 | 179.4 | -101.3 | 0 | 0 | 0 | 111.1 | F124 A126 F142 N148 P155 G158 F160 F242 | F124-Y153 HydrophobicContact CB-CG 4.31Å; F124-Y153 AromaticContact CD2-CD1 3.95Å; F124-Y153 HydrophobicContact CD2-CD1 3.95Å; F124-Y153 AromaticContact CD2-CD2 3.51Å; F124-Y153 HydrophobicContact CD2-CD2 3.51Å; F124-Y153 HydrophobicContact CD2-CE2 4.18Å; F124-Y153 AromaticContact CD2-CG 3.39Å; F124-Y153 HydrophobicContact CD2-CG 3.39Å; F124-Y153 AromaticContact CE2-CD2 3.37Å; F124-Y153 HydrophobicContact CE2-CD2 3.37Å; F124-Y153 AromaticContact CE2-CE2 3.78Å; F124-Y153 HydrophobicContact CE2-CE2 3.78Å; F124-Y153 AromaticContact CE2-CG 3.8Å; F124-Y153 HydrophobicContact CE2-CG 3.8Å; F124-Y153 VanDerWaalsContact CG-CB 3.47Å; F124-Y153 HydrophobicContact CG-CD2 4.17Å; F124-Y153 AromaticContact CG-CG 3.84Å; F124-Y153 HydrophobicContact CG-CG 3.84Å; F124-Y153 AromaticContact CZ-CD2 3.92Å; F124-Y153 HydrophobicContact CZ-CD2 3.92Å; F124-Y153 HydrophobicContact CZ-CE2 4.49Å; A126-Y153 HydrophobicContact CB-CD1 3.98Å; A126-Y153 HydrophobicContact CB-CE1 3.34Å; F142-Y153 WeakPolarHBondContact CA-OH 3.47Å; F142-Y153 VanDerWaalsContact CB-OH 3.28Å; F142-Y153 WeakPolarHBondContact CB-OH 3.46Å; F142-Y153 PolarHBondContact N-OH 3.42Å; F142-Y153 WeakPolarHBondContact O-CE1 3.22Å; F142-Y153 PolarHBondContact O-OH 3.46Å; N148-Y153 PolarHBondContact ND2-O 2.84Å; N148-Y153 PolarHBondContact OD1-N 2.95Å; Y153-P155 HydrophobicContact CD1-CB 4.48Å; Y153-P155 HydrophobicContact CE1-CB 3.97Å; Y153-P155 WeakPolarHBondContact O-CD 3.38Å; Y153-G158 WeakPolarHBondContact OH-CA 3.37Å; Y153-F160 HydrophobicContact CD2-CB 4.41Å; Y153-F242 HydrophobicContact CE2-CD1 4.08Å; Y153-F242 HydrophobicContact CE2-CE1 4.4Å |
| 154 | E | 98.4 | Very high | 97.2 | Very high | 88 Ų | 88 | 59.2 Ų | 59.2 | 41% | 0.411 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 99.9 | 178.7 | 175.7 | 49.7 | -107.9 | 0 | 0 | 110.2 | R156 S157 G158 K159 | E154-R156 PolarHBondContact O-N 3.2Å; E154-R156 VanDerWaalsContact OE1-CB 3.26Å; E154-R156 WeakPolarHBondContact OE1-CB 3.46Å; E154-R156 WeakPolarHBondContact OE1-CG 3.48Å; E154-R156 PolarHBondContact OE1-N 2.9Å; E154-S157 WeakPolarHBondContact CB-OG 3.4Å; E154-S157 WeakPolarHBondContact CG-OG 3.42Å; E154-S157 PolarHBondContact O-N 2.84Å; E154-S157 VanDerWaalsContact O-N 3.08Å; E154-S157 PolarHBondContact O-OG 3.33Å; E154-G158 PolarHBondContact O-N 2.84Å; E154-K159 PolarHBondContact N-O 2.88Å |
| 155 | P | 98.1 | Very high | 97.1 | Very high | 29 Ų | 29 | 55.6 Ų | 55.6 | 19% | 0.188 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -18.1 | -173.5 | 28 | -36.4 | 0 | 0 | 0 | 113.7 | R141 V145 Y153 | R141-P155 WeakPolarHBondContact CD-O 3.42Å; R141-P155 WeakPolarHBondContact CG-O 3.25Å; R141-P155 PolarHBondContact NE-O 2.87Å; V145-P155 HydrophobicContact CG2-CB 3.73Å; V145-P155 HydrophobicContact CG2-CG 3.81Å; Y153-P155 HydrophobicContact CD1-CB 4.48Å; Y153-P155 HydrophobicContact CE1-CB 3.97Å; Y153-P155 WeakPolarHBondContact O-CD 3.38Å |
| 156 | R | 97.4 | Very high | 96.9 | Very high | 201 Ų | 201 | 53 Ų | 53 | 76% | 0.758 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -31.3 | 174.3 | -62.7 | 179.6 | -175.6 | -104.7 | -0.4 | 112.3 | R141 E154 | R141-R156 VanDerWaalsContact CD-O 3.3Å; R141-R156 WeakPolarHBondContact CD-O 3.47Å; R141-R156 PolarHBondContact NE-O 3.2Å; E154-R156 PolarHBondContact O-N 3.2Å; E154-R156 VanDerWaalsContact OE1-CB 3.26Å; E154-R156 WeakPolarHBondContact OE1-CB 3.46Å; E154-R156 WeakPolarHBondContact OE1-CG 3.48Å; E154-R156 PolarHBondContact OE1-N 2.9Å |
| 157 | S | 97.4 | Very high | 96.8 | Very high | 45 Ų | 45 | 51.2 Ų | 51.2 | 32% | 0.315 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -24.7 | -177.7 | 73.4 | 0 | 0 | 0 | 0 | 113.5 | T139 E154 K159 | T139-S157 WeakPolarHBondContact CG2-O 3.44Å; E154-S157 WeakPolarHBondContact CB-OG 3.4Å; E154-S157 WeakPolarHBondContact CG-OG 3.42Å; E154-S157 PolarHBondContact O-N 2.84Å; E154-S157 VanDerWaalsContact O-N 3.08Å; E154-S157 PolarHBondContact O-OG 3.33Å; S157-K159 VanDerWaalsContact C-N 3.33Å; S157-K159 WeakPolarHBondContact OG-CB 3.45Å; S157-K159 PolarHBondContact OG-N 2.87Å |
| 158 | G | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80 | 13.5 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114 | Y153 E154 F223 | Y153-G158 WeakPolarHBondContact OH-CA 3.37Å; E154-G158 PolarHBondContact O-N 2.84Å; G158-F223 WeakPolarHBondContact O-CB 3.45Å |
| 159 | K | 98.6 | Very high | 96.8 | Very high | 68 Ų | 68 | 50.7 Ų | 50.7 | 30% | 0.296 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 136.4 | -175 | -57.7 | -174.9 | 175.8 | 179.7 | 0 | 111.7 | T139 E154 S157 F223 | T139-K159 HydrophobicContact CG2-CG 4.32Å; E154-K159 PolarHBondContact N-O 2.88Å; S157-K159 VanDerWaalsContact C-N 3.33Å; S157-K159 WeakPolarHBondContact OG-CB 3.45Å; S157-K159 PolarHBondContact OG-N 2.87Å; K159-F223 HydrophobicContact CB-CB 4.37Å; K159-F223 HydrophobicContact CD-CD1 4.08Å; K159-F223 HydrophobicContact CD-CE1 4.41Å; K159-F223 HydrophobicContact CG-CB 3.91Å; K159-F223 HydrophobicContact CG-CD1 3.93Å; K159-F223 HydrophobicContact CG-CG 4.01Å |
| 160 | F | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 135.1 | 161 | 174 | -88.9 | 0 | 0 | 0 | 108.9 | I122 F124 N152 Y153 C162 Y168 F170 L216 N221 V222 | I122-F160 HydrophobicContact CG2-CE2 3.75Å; I122-F160 HydrophobicContact CG2-CZ 3.95Å; F124-F160 AromaticContact CD1-CD2 3.54Å; F124-F160 HydrophobicContact CD1-CD2 3.54Å; F124-F160 HydrophobicContact CD1-CE2 4.07Å; F124-F160 HydrophobicContact CD1-CG 4.48Å; F124-F160 HydrophobicContact CE1-CB 4Å; F124-F160 AromaticContact CE1-CD2 3.44Å; F124-F160 HydrophobicContact CE1-CD2 3.44Å; F124-F160 VanDerWaalsContact CE1-CD2 3.44Å; F124-F160 HydrophobicContact CE1-CE2 4.19Å; F124-F160 AromaticContact CE1-CG 3.97Å; F124-F160 HydrophobicContact CE1-CG 3.97Å; F124-F160 HydrophobicContact CZ-CB 4.25Å; F124-F160 HydrophobicContact CZ-CD2 4.45Å; N152-F160 HydrophobicContact CB-CD2 3.78Å; N152-F160 HydrophobicContact CB-CE2 3.32Å; N152-F160 HydrophobicContact CB-CZ 3.94Å; N152-F160 CarbonylContact O-C 3.49Å; N152-F160 WeakPolarHBondContact O-CA 3.37Å; Y153-F160 HydrophobicContact CD2-CB 4.41Å; F160-C162 HydrophobicContact CE1-CB 4.19Å; F160-Y168 HydrophobicContact CE1-CD1 4.32Å; F160-Y168 HydrophobicContact CE1-CE1 4.18Å; F160-Y168 HydrophobicContact CE2-CE1 4.38Å; F160-Y168 AromaticContact CZ-CD1 3.87Å; F160-Y168 HydrophobicContact CZ-CD1 3.87Å; F160-Y168 AromaticContact CZ-CE1 3.49Å; F160-Y168 HydrophobicContact CZ-CE1 3.49Å; F160-Y168 VanDerWaalsContact CZ-CE1 3.49Å; F160-F170 HydrophobicContact CB-CE1 4.1Å; F160-F170 AromaticContact CD1-CE1 3.78Å; F160-F170 HydrophobicContact CD1-CE1 3.78Å; F160-F170 AromaticContact CD1-CZ 3.64Å; F160-F170 HydrophobicContact CD1-CZ 3.64Å; F160-F170 HydrophobicContact CD2-CE1 4.31Å; F160-F170 HydrophobicContact CE1-CE1 4.28Å; F160-F170 AromaticContact CE1-CZ 3.82Å; F160-F170 HydrophobicContact CE1-CZ 3.82Å; F160-F170 AromaticContact CG-CE1 3.8Å; F160-F170 HydrophobicContact CG-CE1 3.8Å; F160-F170 HydrophobicContact CG-CZ 4.15Å; F160-F170 HydrophobicContact CZ-CZ 4.46Å; F160-L216 HydrophobicContact CD1-CD1 4.27Å; F160-L216 HydrophobicContact CE1-CD1 3.82Å; F160-N221 CarbonylContact O-C 3.57Å; F160-N221 WeakPolarHBondContact O-CA 3.48Å; F160-V222 HydrophobicContact CD1-CB 4.45Å; F160-V222 PolarHBondContact N-O 2.84Å; F160-V222 PolarHBondContact O-N 2.95Å |
| 161 | T | 98.4 | Very high | 97.3 | Very high | 50 Ų | 50 | 43.7 Ų | 43.7 | 31% | 0.307 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 124.9 | 173.5 | -56 | 0 | 0 | 0 | 0 | 109.6 | N152 K163 E220 N221 | N152-T161 PolarHBondContact ND2-O 3.32Å; N152-T161 PolarHBondContact O-N 3.19Å; T161-K163 PolarHBondContact O-N 3.33Å; T161-E220 WeakPolarHBondContact CA-O 3.49Å; T161-N221 PolarHBondContact OG1-OD1 3.4Å |
| 162 | C | 97.6 | Very high | 97.4 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.014 | 18% | 0.183 | C | C | . | . | trans | -68.5 | 126.1 | 179.8 | -176.3 | 0 | 0 | 0 | 0 | 110.9 | F160 V164 L216 E217 G219 E220 | F160-C162 HydrophobicContact CE1-CB 4.19Å; C162-V164 VanDerWaalsContact SG-C 3.58Å; C162-V164 PolarHBondContact SG-O 3.26Å; C162-L216 HydrophobicContact CB-CB 4.05Å; C162-L216 HydrophobicContact CB-CD1 4.18Å; C162-E217 VanDerWaalsContact CB-O 3.31Å; C162-E217 WeakPolarHBondContact CB-O 3.47Å; C162-G219 PolarHBondContact O-N 2.8Å; C162-E220 PolarHBondContact N-O 3.09Å | ||
| 163 | K | 94.4 | Very high | 97.5 | Very high | 98 Ų | 98 | 42 Ų | 42 | 43% | 0.426 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -107.8 | -30.8 | 172.2 | -64.8 | 178.2 | -168.6 | 166.2 | 0 | 112.3 | N150 N151 N152 T161 Q218 | N150-K163 PolarHBondContact O-NZ 3.41Å; N151-K163 PolarHBondContact O-NZ 2.71Å; N152-K163 WeakPolarHBondContact ND2-CB 3.39Å; N152-K163 WeakPolarHBondContact ND2-CG 3.06Å; N152-K163 PolarHBondContact ND2-N 3.23Å; T161-K163 PolarHBondContact O-N 3.33Å; K163-Q218 PolarHBondContact O-NE2 3.49Å |
| 164 | V | 93.6 | Very high | 97.4 | Very high | 23 Ų | 23 | 41.8 Ų | 41.8 | 14% | 0.139 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -116.7 | 113.2 | 178.6 | 175.8 | 0 | 0 | 0 | 0 | 107.7 | Q120 I122 C162 Y168 L246 P249 | Q120-V164 HydrophobicContact CB-CG1 4.36Å; Q120-V164 HydrophobicContact CB-CG2 4.4Å; Q120-V164 HydrophobicContact CG-CG1 4.21Å; Q120-V164 HydrophobicContact CG-CG2 4.03Å; I122-V164 HydrophobicContact CD1-CB 3.57Å; I122-V164 HydrophobicContact CD1-CG2 3.58Å; C162-V164 VanDerWaalsContact SG-C 3.58Å; C162-V164 PolarHBondContact SG-O 3.26Å; V164-Y168 WeakPolarHBondContact O-CE2 3.27Å; V164-Y168 PolarHBondContact O-OH 2.9Å; V164-L246 HydrophobicContact CG1-CD2 4.26Å; V164-P249 HydrophobicContact CG1-CB 4.02Å |
| 165 | P | 94.8 | Very high | 97.4 | Very high | 23 Ų | 23 | 38.3 Ų | 38.3 | 15% | 0.149 | 18% | 0.184 | C | C | . | . | trans | -56.5 | 145.7 | 175.5 | -23.1 | 33.2 | 0 | 0 | 0 | 112.1 | L216 Q218 D250 | P165-L216 WeakPolarHBondContact CA-O 3.26Å; P165-Q218 HydrophobicContact CG-CB 4.08Å; P165-D250 HydrophobicContact CB-CB 4.34Å; P165-D250 WeakPolarHBondContact CB-OD2 3.36Å; P165-D250 PolarHBondContact O-N 3.4Å | ||
| 166 | G | 94.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 153.4 | -165.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y168 K215 L216 F248 D250 | G166-Y168 WeakPolarHBondContact O-CD2 3.32Å; G166-K215 WeakPolarHBondContact O-CA 3.32Å; G166-L216 PolarHBondContact N-O 3.05Å; G166-L216 VanDerWaalsContact N-O 3.11Å; G166-L216 PolarHBondContact O-N 3.07Å; G166-F248 WeakPolarHBondContact CA-O 3.42Å; G166-D250 PolarHBondContact N-OD2 3.03Å |
| 167 | L | 96.4 | Very high | 97.3 | Very high | 63 Ų | 63 | 35.5 Ų | 35.5 | 33% | 0.33 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 125.9 | 178.5 | -73.8 | 167.5 | 0 | 0 | 0 | 110.6 | V213 K215 L247 F248 | L167-V213 HydrophobicContact CD2-CG1 4.22Å; L167-K215 HydrophobicContact CD2-CB 3.79Å; L167-K215 HydrophobicContact CD2-CG 4.3Å; L167-L247 HydrophobicContact CB-CB 4.35Å; L167-L247 WeakPolarHBondContact O-CB 3.49Å; L167-L247 PolarHBondContact O-N 3.21Å; L167-F248 HydrophobicContact CD1-CD2 4.21Å; L167-F248 PolarHBondContact N-O 3.4Å; L167-F248 PolarHBondContact O-N 3.03Å |
| 168 | Y | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 145.6 | 178.6 | -72.4 | -98.2 | 0 | 0 | 0 | 110.7 | I122 F160 V164 G166 F170 V213 L214 L216 F245 L246 | I122-Y168 HydrophobicContact CB-CE1 4.22Å; I122-Y168 HydrophobicContact CD1-CE1 4.49Å; I122-Y168 VanDerWaalsContact CD1-OH 3.23Å; I122-Y168 WeakPolarHBondContact CD1-OH 3.11Å; I122-Y168 HydrophobicContact CG2-CE1 3.85Å; F160-Y168 HydrophobicContact CE1-CD1 4.32Å; F160-Y168 HydrophobicContact CE1-CE1 4.18Å; F160-Y168 HydrophobicContact CE2-CE1 4.38Å; F160-Y168 AromaticContact CZ-CD1 3.87Å; F160-Y168 HydrophobicContact CZ-CD1 3.87Å; F160-Y168 AromaticContact CZ-CE1 3.49Å; F160-Y168 HydrophobicContact CZ-CE1 3.49Å; F160-Y168 VanDerWaalsContact CZ-CE1 3.49Å; V164-Y168 WeakPolarHBondContact O-CE2 3.27Å; V164-Y168 PolarHBondContact O-OH 2.9Å; G166-Y168 WeakPolarHBondContact O-CD2 3.32Å; Y168-F170 VanDerWaalsContact CB-CE2 3.45Å; Y168-F170 HydrophobicContact CD1-CZ 4.46Å; Y168-F170 HydrophobicContact CG-CE2 4.29Å; Y168-F170 HydrophobicContact CG-CZ 4.33Å; Y168-V213 CarbonylContact O-C 3.48Å; Y168-V213 VanDerWaalsContact O-CA 3.29Å; Y168-V213 WeakPolarHBondContact O-CA 3.37Å; Y168-L214 PolarHBondContact N-O 3.35Å; Y168-L214 PolarHBondContact O-N 3.26Å; Y168-L216 HydrophobicContact CD2-CB 4.05Å; Y168-L216 HydrophobicContact CD2-CD1 3.8Å; Y168-L216 HydrophobicContact CD2-CG 4.04Å; Y168-L216 HydrophobicContact CE2-CB 4.28Å; Y168-L216 HydrophobicContact CE2-CD1 4.33Å; Y168-L216 HydrophobicContact CG-CD1 4.06Å; Y168-F245 WeakPolarHBondContact CA-O 3.24Å; Y168-L246 HydrophobicContact CD1-CB 4.09Å; Y168-L246 HydrophobicContact CD1-CD1 4.4Å; Y168-L246 HydrophobicContact CD2-CD1 4.06Å; Y168-L246 HydrophobicContact CE1-CB 3.65Å; Y168-L246 HydrophobicContact CE1-CD1 3.93Å; Y168-L246 HydrophobicContact CE1-CG 4.38Å; Y168-L246 HydrophobicContact CE2-CD1 3.56Å; Y168-L246 HydrophobicContact CG-CD1 4.45Å; Y168-L246 VanDerWaalsContact CZ-CD1 3.5Å |
| 169 | Y | 98.7 | Very high | 97.2 | Very high | 76 Ų | 76 | 37.4 Ų | 37.4 | 30% | 0.298 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 130 | 165.2 | -178.5 | -115.8 | 0 | 0 | 0 | 109.6 | T171 V213 G244 F245 | Y169-T171 HydrophobicContact CD1-CG2 4.49Å; Y169-T171 HydrophobicContact CE1-CG2 3.91Å; Y169-V213 HydrophobicContact CD2-CG2 3.73Å; Y169-V213 HydrophobicContact CE2-CG2 4.49Å; Y169-G244 CarbonylContact O-C 3.59Å; Y169-G244 WeakPolarHBondContact O-CA 3.37Å; Y169-F245 AromaticContact CD1-CE1 3.62Å; Y169-F245 HydrophobicContact CD1-CE1 3.62Å; Y169-F245 AromaticContact CD1-CZ 3.65Å; Y169-F245 HydrophobicContact CD1-CZ 3.65Å; Y169-F245 HydrophobicContact CE1-CE1 4.5Å; Y169-F245 HydrophobicContact CG-CE1 4.47Å; Y169-F245 HydrophobicContact CG-CZ 4.28Å; Y169-F245 PolarHBondContact N-O 2.93Å; Y169-F245 PolarHBondContact O-N 2.99Å |
| 170 | F | 98.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 139.2 | 172.9 | -65.3 | -85.6 | 0 | 0 | 0 | 109.3 | F124 F160 Y168 G211 M212 L214 L216 V222 F242 S243 | F124-F170 HydrophobicContact CE1-CD1 4.15Å; F124-F170 AromaticContact CE1-CE1 3.9Å; F124-F170 HydrophobicContact CE1-CE1 3.9Å; F124-F170 HydrophobicContact CZ-CD1 4.25Å; F124-F170 HydrophobicContact CZ-CE1 4.34Å; F160-F170 HydrophobicContact CB-CE1 4.1Å; F160-F170 AromaticContact CD1-CE1 3.78Å; F160-F170 HydrophobicContact CD1-CE1 3.78Å; F160-F170 AromaticContact CD1-CZ 3.64Å; F160-F170 HydrophobicContact CD1-CZ 3.64Å; F160-F170 HydrophobicContact CD2-CE1 4.31Å; F160-F170 HydrophobicContact CE1-CE1 4.28Å; F160-F170 AromaticContact CE1-CZ 3.82Å; F160-F170 HydrophobicContact CE1-CZ 3.82Å; F160-F170 AromaticContact CG-CE1 3.8Å; F160-F170 HydrophobicContact CG-CE1 3.8Å; F160-F170 HydrophobicContact CG-CZ 4.15Å; F160-F170 HydrophobicContact CZ-CZ 4.46Å; Y168-F170 VanDerWaalsContact CB-CE2 3.45Å; Y168-F170 HydrophobicContact CD1-CZ 4.46Å; Y168-F170 HydrophobicContact CG-CE2 4.29Å; Y168-F170 HydrophobicContact CG-CZ 4.33Å; F170-G211 CarbonylContact O-C 3.31Å; F170-G211 WeakPolarHBondContact O-CA 3.34Å; F170-M212 PolarHBondContact N-O 2.73Å; F170-M212 PolarHBondContact O-N 2.97Å; F170-L214 HydrophobicContact CD2-CB 4.41Å; F170-L214 HydrophobicContact CD2-CD1 3.97Å; F170-L214 HydrophobicContact CD2-CG 4.39Å; F170-L214 HydrophobicContact CE2-CB 4.32Å; F170-L214 HydrophobicContact CE2-CD1 4.21Å; F170-L216 HydrophobicContact CE2-CD1 3.75Å; F170-L216 HydrophobicContact CZ-CD1 3.68Å; F170-V222 HydrophobicContact CD1-CB 4.41Å; F170-V222 HydrophobicContact CD1-CG1 3.88Å; F170-V222 HydrophobicContact CD2-CG1 4.05Å; F170-V222 HydrophobicContact CE1-CB 3.91Å; F170-V222 HydrophobicContact CE1-CG1 3.89Å; F170-V222 HydrophobicContact CE1-CG2 4.4Å; F170-V222 HydrophobicContact CE2-CB 4.18Å; F170-V222 HydrophobicContact CE2-CG1 4.07Å; F170-V222 HydrophobicContact CE2-CG2 3.85Å; F170-V222 HydrophobicContact CG-CG1 3.95Å; F170-V222 HydrophobicContact CZ-CB 3.8Å; F170-V222 HydrophobicContact CZ-CG1 4Å; F170-V222 HydrophobicContact CZ-CG2 3.78Å; F170-F242 HydrophobicContact CB-CE2 4.18Å; F170-F242 HydrophobicContact CD1-CE2 4.16Å; F170-F242 AromaticContact CD1-CZ 3.88Å; F170-F242 HydrophobicContact CD1-CZ 3.88Å; F170-S243 WeakPolarHBondContact CA-O 3.25Å |
| 171 | T | 98.9 | Very high | 97.2 | Very high | 21 Ų | 21 | 34.5 Ų | 34.5 | 13% | 0.129 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 149.5 | 177.6 | -174.3 | 0 | 0 | 0 | 0 | 110.6 | Y169 G210 F242 S243 | Y169-T171 HydrophobicContact CD1-CG2 4.49Å; Y169-T171 HydrophobicContact CE1-CG2 3.91Å; T171-G210 WeakPolarHBondContact CA-O 3.17Å; T171-F242 WeakPolarHBondContact O-CD2 3.5Å; T171-S243 PolarHBondContact N-O 2.89Å; T171-S243 PolarHBondContact O-N 2.88Å; T171-S243 VanDerWaalsContact O-O 3.08Å |
| 172 | Y | 98.8 | Very high | 97.2 | Very high | 7 Ų | 7 | 32.2 Ų | 32.2 | 3% | 0.027 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 155.1 | 170.3 | 77.3 | -88.9 | 0 | 0 | 0 | 111 | A174 V182 F197 T208 T209 G210 L224 I241 | Y172-A174 HydrophobicContact CD2-CB 3.79Å; Y172-A174 HydrophobicContact CE2-CB 3.72Å; Y172-V182 HydrophobicContact CE2-CG2 4.43Å; Y172-F197 AromaticContact CE1-CD2 3.88Å; Y172-F197 HydrophobicContact CE1-CD2 3.88Å; Y172-F197 HydrophobicContact CE1-CE2 4.46Å; Y172-F197 HydrophobicContact CE1-CG 4.46Å; Y172-F197 WeakPolarHBondContact OH-CB 3.36Å; Y172-T208 HydrophobicContact CE2-CG2 4.4Å; Y172-T209 VanDerWaalsContact O-CA 3.26Å; Y172-T209 WeakPolarHBondContact O-CA 3.3Å; Y172-T209 WeakPolarHBondContact O-CB 3.39Å; Y172-T209 PolarHBondContact O-OG1 2.91Å; Y172-G210 WeakPolarHBondContact CD1-O 3.26Å; Y172-G210 PolarHBondContact N-O 3.33Å; Y172-G210 PolarHBondContact O-N 2.04Å; Y172-L224 HydrophobicContact CD1-CD1 3.87Å; Y172-L224 HydrophobicContact CD1-CD2 4.01Å; Y172-L224 HydrophobicContact CD2-CD1 4.31Å; Y172-L224 HydrophobicContact CE1-CD2 4.36Å; Y172-L224 HydrophobicContact CG-CD1 3.7Å; Y172-I241 CarbonylContact C-O 3.49Å; Y172-I241 WeakPolarHBondContact CA-O 3.5Å; Y172-I241 VanDerWaalsContact CB-O 3.23Å; Y172-I241 WeakPolarHBondContact CB-O 3.14Å |
| 173 | H | 98.6 | Very high | 97.3 | Very high | 82 Ų | 82 | 32.9 Ų | 32.9 | 38% | 0.38 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 128 | 165 | -57.7 | -95.4 | 0 | 0 | 0 | 107.2 | V207 T208 T209 S240 I241 | H173-V207 HydrophobicContact CB-CG2 4.11Å; H173-T208 CarbonylContact C-O 3.53Å; H173-T208 WeakPolarHBondContact CA-O 3.02Å; H173-T209 PolarHBondContact CE1-OG1 2.76Å; H173-T209 VanDerWaalsContact CE1-OG1 3.26Å; H173-T209 PolarHBondContact ND1-OG1 2.9Å; H173-S240 CarbonylContact O-C 3.42Å; H173-S240 VanDerWaalsContact O-CA 3.25Å; H173-S240 WeakPolarHBondContact O-CA 3.16Å; H173-I241 HydrophobicContact CB-CG2 3.87Å; H173-I241 PolarHBondContact N-O 3.48Å; H173-I241 PolarHBondContact O-N 3.41Å |
| 174 | A | 98.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.008 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 116.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y172 L180 V207 T208 L232 S240 | Y172-A174 HydrophobicContact CD2-CB 3.79Å; Y172-A174 HydrophobicContact CE2-CB 3.72Å; A174-L180 HydrophobicContact CB-CD2 3.68Å; A174-V207 WeakPolarHBondContact O-CA 3.43Å; A174-T208 HydrophobicContact CB-CG2 4.07Å; A174-T208 PolarHBondContact N-O 2.85Å; A174-T208 PolarHBondContact O-N 2.87Å; A174-L232 HydrophobicContact CB-CD1 3.53Å; A174-S240 WeakPolarHBondContact CA-OG 3.18Å |
| 175 | S | 97.9 | Very high | 97.7 | Very high | 15 Ų | 15 | 28 Ų | 28 | 11% | 0.105 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 138.4 | 168.1 | -65.8 | 0 | 0 | 0 | 0 | 110.2 | Q206 L233 A238 N239 S240 | S175-Q206 CarbonylContact C-O 3.57Å; S175-Q206 WeakPolarHBondContact CA-O 3.49Å; S175-L233 PolarHBondContact O-N 3.31Å; S175-A238 VanDerWaalsContact OG-C 3.28Å; S175-N239 PolarHBondContact OG-O 2.82Å; S175-N239 VanDerWaalsContact OG-O 3.07Å; S175-S240 PolarHBondContact N-OG 3.41Å |
| 176 | S | 97.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 155.2 | -178.8 | 170.4 | 0 | 0 | 0 | 0 | 110.6 | G178 F205 Q206 S231 | S176-G178 PolarHBondContact OG-N 2.91Å; S176-G178 PolarHBondContact OG-O 2.88Å; S176-F205 WeakPolarHBondContact O-CA 3.16Å; S176-Q206 PolarHBondContact N-O 2.87Å; S176-Q206 PolarHBondContact O-N 3.13Å; S176-S231 WeakPolarHBondContact CA-O 3.39Å; S176-S231 WeakPolarHBondContact CB-O 3.45Å; S176-S231 PolarHBondContact OG-O 3.47Å |
| 177 | R | 95.5 | Very high | 97.9 | Very high | 171 Ų | 171 | 31.6 Ų | 31.6 | 65% | 0.645 | 15% | 0.147 | S | C | * | . | S | Bend | trans | -116.7 | 17.6 | 168.6 | 62 | 175.4 | -176 | 169.1 | 2 | 113.2 | T204 F205 S231 L233 | R177-T204 CarbonylContact C-O 3.59Å; R177-T204 WeakPolarHBondContact CA-O 3.45Å; R177-F205 HydrophobicContact CB-CD1 4.34Å; R177-F205 HydrophobicContact CB-CE1 4.28Å; R177-S231 PolarHBondContact N-OG 2.9Å; R177-L233 HydrophobicContact CB-CD1 4.1Å; R177-L233 HydrophobicContact CG-CD1 4.3Å; R177-L233 HydrophobicContact CG-CD2 4.16Å; R177-L233 HydrophobicContact CG-CG 4.44Å |
| 178 | G | 95.9 | Very high | 97.8 | Very high | 11 Ų | 11 | 35.7 Ų | 35.7 | 11% | 0.113 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -173.7 | -158.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S176 L180 A201 S231 | S176-G178 PolarHBondContact OG-N 2.91Å; S176-G178 PolarHBondContact OG-O 2.88Å; G178-L180 PolarHBondContact O-N 3.01Å; G178-A201 WeakPolarHBondContact CA-O 3.19Å; G178-S231 WeakPolarHBondContact CA-OG 3.5Å; G178-S231 PolarHBondContact N-OG 2.7Å; G178-S231 VanDerWaalsContact N-OG 3.08Å |
| 179 | N | 98 | Very high | 97.4 | Very high | 73 Ų | 73 | 45.1 Ų | 45.1 | 39% | 0.39 | 20% | 0.202 | S | C | . | . | trans | -70.6 | 124.9 | 179.4 | -57.4 | -20.6 | 0 | 0 | 0 | 110.7 | Y200 A201 K229 S231 | N179-Y200 HydrophobicContact CB-CD1 3.77Å; N179-Y200 HydrophobicContact CB-CE1 3.99Å; N179-Y200 HydrophobicContact CB-CG 4.38Å; N179-Y200 WeakPolarHBondContact OD1-CD1 3.36Å; N179-A201 PolarHBondContact OD1-O 2.77Å; N179-K229 HydrophobicContact CB-CB 4.22Å; N179-K229 HydrophobicContact CB-CG 4.13Å; N179-K229 CarbonylContact O-C 3.55Å; N179-S231 WeakPolarHBondContact O-CB 3.42Å; N179-S231 PolarHBondContact O-N 2.74Å | ||
| 180 | L | 98.4 | Very high | 97 | Very high | 4 Ų | 4 | 52.4 Ų | 52.4 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 124.3 | 179.5 | 179.5 | 61.7 | 0 | 0 | 0 | 109.8 | A174 G178 V182 C198 D199 T208 K229 L232 | A174-L180 HydrophobicContact CB-CD2 3.68Å; G178-L180 PolarHBondContact O-N 3.01Å; L180-V182 HydrophobicContact CD1-CG2 3.96Å; L180-V182 HydrophobicContact CD2-CG2 4.39Å; L180-V182 HydrophobicContact CG-CG2 4.05Å; L180-C198 WeakPolarHBondContact O-CA 3Å; L180-D199 PolarHBondContact N-O 2.71Å; L180-D199 PolarHBondContact O-N 3.31Å; L180-T208 HydrophobicContact CD2-CG2 3.98Å; L180-K229 WeakPolarHBondContact CA-O 3.27Å; L180-L232 HydrophobicContact CD1-CB 4.13Å; L180-L232 HydrophobicContact CD1-CD1 4.48Å; L180-L232 HydrophobicContact CD2-CD1 3.82Å |
| 181 | C | 98.6 | Very high | 96.8 | Very high | 4 Ų | 4 | 53.9 Ų | 53.9 | 3% | 0.027 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 132.1 | 167.5 | -65.9 | 0 | 0 | 0 | 0 | 109.7 | T196 F197 C198 T227 K229 | C181-T196 HydrophobicContact CB-CG2 4.21Å; C181-F197 CarbonylContact C-O 3.35Å; C181-F197 WeakPolarHBondContact CA-O 3.14Å; C181-C198 HydrophobicContact CB-CB 4.12Å; C181-C198 WeakPolarHBondContact CB-SG 3.46Å; C181-C198 WeakPolarHBondContact SG-CB 3.21Å; C181-C198 CovalentContact SG-SG 2.04Å; C181-C198 PolarHBondContact SG-SG 2.82Å; C181-T227 HydrophobicContact CB-CG2 4.08Å; C181-T227 VanDerWaalsContact CB-OG1 3.27Å; C181-T227 WeakPolarHBondContact CB-OG1 3.17Å; C181-T227 WeakPolarHBondContact O-CG2 3.23Å; C181-T227 PolarHBondContact O-OG1 3.3Å; C181-K229 HydrophobicContact CB-CB 4Å; C181-K229 PolarHBondContact N-O 3.39Å |
| 182 | V | 98.6 | Very high | 96.7 | Very high | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.012 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 129.7 | -178 | -176.9 | 0 | 0 | 0 | 0 | 109.4 | I140 Y172 L180 T196 F197 L224 | I140-V182 HydrophobicContact CD1-CG1 3.91Å; I140-V182 HydrophobicContact CD1-CG2 4.14Å; Y172-V182 HydrophobicContact CE2-CG2 4.43Å; L180-V182 HydrophobicContact CD1-CG2 3.96Å; L180-V182 HydrophobicContact CD2-CG2 4.39Å; L180-V182 HydrophobicContact CG-CG2 4.05Å; V182-T196 WeakPolarHBondContact O-CA 3.4Å; V182-F197 PolarHBondContact N-O 2.97Å; V182-F197 PolarHBondContact O-N 2.91Å; V182-L224 HydrophobicContact CG1-CB 3.72Å; V182-L224 HydrophobicContact CG1-CD1 4.21Å; V182-L224 HydrophobicContact CG1-CD2 3.83Å; V182-L224 HydrophobicContact CG1-CG 4.11Å |
| 183 | N | 98.8 | Very high | 96.7 | Very high | 16 Ų | 16 | 65.4 Ų | 65.4 | 9% | 0.086 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 128.9 | 171.5 | -65.8 | -25.2 | 0 | 0 | 0 | 109.5 | M185 K193 V195 T196 L224 Q225 | N183-M185 HydrophobicContact CB-CG 4.44Å; N183-M185 HydrophobicContact CB-SD 3.68Å; N183-K193 HydrophobicContact CB-CD 4.15Å; N183-K193 HydrophobicContact CB-CG 4.13Å; N183-K193 WeakPolarHBondContact OD1-CD 3.48Å; N183-V195 WeakPolarHBondContact CA-O 3.27Å; N183-T196 WeakPolarHBondContact OD1-CG2 3.17Å; N183-T196 PolarHBondContact OD1-OG1 3.41Å; N183-L224 CarbonylContact O-C 3.48Å; N183-L224 WeakPolarHBondContact O-CA 3.37Å; N183-Q225 HydrophobicContact CB-CB 4.15Å; N183-Q225 PolarHBondContact N-O 2.82Å; N183-Q225 PolarHBondContact O-N 2.96Å |
| 184 | L | 98.8 | Very high | 96.7 | Very high | 6 Ų | 6 | 63.7 Ų | 63.7 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 118.8 | 164.7 | -178.7 | 66.8 | 0 | 0 | 0 | 108.4 | V194 V195 M212 L214 V222 L224 | L184-V194 PolarHBondContact O-N 2.87Å; L184-V195 HydrophobicContact CB-CG2 3.86Å; L184-V195 HydrophobicContact CD2-CG2 4.14Å; L184-V195 PolarHBondContact N-O 2.9Å; L184-M212 HydrophobicContact CD2-CB 3.48Å; L184-M212 VanDerWaalsContact CD2-CB 3.48Å; L184-M212 HydrophobicContact CD2-CG 4.05Å; L184-L214 HydrophobicContact CD2-CD1 4.25Å; L184-V222 HydrophobicContact CD1-CG1 3.74Å; L184-L224 HydrophobicContact CB-CD2 4.42Å; L184-L224 HydrophobicContact CD1-CD2 3.73Å |
| 185 | M | 98.6 | Very high | 96.7 | Very high | 13 Ų | 13 | 65.6 Ų | 65.6 | 6% | 0.064 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 142 | -175.6 | -53.5 | -57.4 | -72.1 | 0 | 0 | 110.4 | N183 A191 Q192 K193 V222 F223 Q225 | N183-M185 HydrophobicContact CB-CG 4.44Å; N183-M185 HydrophobicContact CB-SD 3.68Å; M185-A191 HydrophobicContact CB-CB 4.2Å; M185-Q192 CarbonylContact C-O 3.54Å; M185-Q192 WeakPolarHBondContact CA-O 3.41Å; M185-K193 HydrophobicContact CE-CB 4.13Å; M185-K193 HydrophobicContact SD-CB 3.81Å; M185-K193 HydrophobicContact SD-CG 4.07Å; M185-V222 VanDerWaalsContact O-CA 3.31Å; M185-V222 WeakPolarHBondContact O-CA 3.33Å; M185-F223 HydrophobicContact CB-CD1 4.15Å; M185-F223 HydrophobicContact CB-CD2 3.96Å; M185-F223 HydrophobicContact CB-CE1 3.85Å; M185-F223 HydrophobicContact CB-CE2 3.66Å; M185-F223 HydrophobicContact CB-CG 4.2Å; M185-F223 HydrophobicContact CB-CZ 3.6Å; M185-F223 HydrophobicContact CG-CD2 4.02Å; M185-F223 HydrophobicContact CG-CE2 3.61Å; M185-F223 HydrophobicContact CG-CZ 3.97Å; M185-F223 PolarHBondContact N-O 3.25Å; M185-F223 PolarHBondContact O-N 3.48Å; M185-Q225 HydrophobicContact CG-CB 3.59Å; M185-Q225 HydrophobicContact SD-CB 4.23Å; M185-Q225 PolarHBondContact SD-OE1 3.07Å |
| 186 | R | 98.3 | Very high | 96.7 | Very high | 91 Ų | 91 | 67.3 Ų | 67.3 | 34% | 0.343 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 137.4 | 172.9 | 179.5 | -177 | 62.4 | 178.1 | -1.5 | 110.9 | A191 Q192 V194 K215 L216 N221 V222 | R186-A191 CarbonylContact O-C 3.56Å; R186-A191 WeakPolarHBondContact O-CA 3.5Å; R186-Q192 PolarHBondContact N-O 3.17Å; R186-Q192 PolarHBondContact O-N 3.08Å; R186-V194 HydrophobicContact CB-CG2 3.55Å; R186-K215 PolarHBondContact NH1-O 2.73Å; R186-L216 HydrophobicContact CG-CD2 3.95Å; R186-N221 CarbonylContact C-O 3.48Å; R186-N221 VanDerWaalsContact CA-O 3.25Å; R186-N221 WeakPolarHBondContact CA-O 3.28Å; R186-V222 HydrophobicContact CG-CG2 4.42Å |
| 187 | G | 94.3 | Very high | 96.8 | Very high | 7 Ų | 7 | 69.9 Ų | 69.9 | 7% | 0.072 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 149.6 | -175.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | N221 | G187-N221 PolarHBondContact N-O 3.2Å; G187-N221 WeakPolarHBondContact O-CA 3.4Å; G187-N221 VanDerWaalsContact O-CB 3.25Å; G187-N221 WeakPolarHBondContact O-CB 3.26Å; G187-N221 PolarHBondContact O-N 3.4Å; G187-N221 PolarHBondContact O-ND2 2.79Å |
| 188 | R | 94.3 | Very high | 97 | Very high | 148 Ų | 148 | 64.9 Ų | 64.9 | 56% | 0.558 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -88.5 | -106.3 | -178 | -60.6 | -177.1 | -179.1 | -156.6 | -1.3 | 111.4 | Q218 E220 N221 | R188-Q218 PolarHBondContact NH2-O 2.77Å; R188-Q218 VanDerWaalsContact NH2-O 3.08Å; R188-E220 HydrophobicContact CG-CG 4.1Å; R188-N221 PolarHBondContact O-ND2 2.86Å |
| 189 | E | 89.5 | Confident | 97.1 | Very high | 198 Ų | 198 | 67.1 Ų | 67.1 | 93% | 0.925 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -71.6 | -40.7 | 176.3 | -62.1 | -169.8 | 165.3 | 0 | 0 | 112.3 | ||
| 190 | R | 91.7 | Very high | 97.1 | Very high | 230 Ų | 230 | 69.8 Ų | 69.8 | 87% | 0.868 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -107.7 | 100.8 | 173.3 | -67.5 | -176 | -177.9 | -176.6 | 0.7 | 109 | ||
| 191 | A | 94.6 | Very high | 97 | Very high | 32 Ų | 32 | 70 Ų | 70 | 26% | 0.264 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 136.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | M185 R186 F223 | M185-A191 HydrophobicContact CB-CB 4.2Å; R186-A191 CarbonylContact O-C 3.56Å; R186-A191 WeakPolarHBondContact O-CA 3.5Å; A191-F223 HydrophobicContact CB-CE1 3.62Å; A191-F223 HydrophobicContact CB-CZ 3.68Å |
| 192 | Q | 97.1 | Very high | 96.9 | Very high | 151 Ų | 151 | 80.1 Ų | 80.1 | 71% | 0.706 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 149.3 | 173.4 | -65 | -177.4 | -7.2 | 0 | 0 | 109.9 | M185 R186 V194 | M185-Q192 CarbonylContact C-O 3.54Å; M185-Q192 WeakPolarHBondContact CA-O 3.41Å; R186-Q192 PolarHBondContact N-O 3.17Å; R186-Q192 PolarHBondContact O-N 3.08Å; Q192-V194 PolarHBondContact O-N 2.79Å |
| 193 | K | 98.3 | Very high | 96.6 | Very high | 119 Ų | 119 | 87.4 Ų | 87.4 | 52% | 0.517 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 123 | 174.3 | -174.1 | 179.9 | 77.5 | 160.5 | 0 | 109.5 | N183 M185 T196 | N183-K193 HydrophobicContact CB-CD 4.15Å; N183-K193 HydrophobicContact CB-CG 4.13Å; N183-K193 WeakPolarHBondContact OD1-CD 3.48Å; M185-K193 HydrophobicContact CE-CB 4.13Å; M185-K193 HydrophobicContact SD-CB 3.81Å; M185-K193 HydrophobicContact SD-CG 4.07Å; K193-T196 VanDerWaalsContact CD-OG1 3.32Å; K193-T196 WeakPolarHBondContact CD-OG1 3.14Å; K193-T196 PolarHBondContact NZ-OG1 3.26Å |
| 194 | V | 98.1 | Very high | 96.5 | Very high | 46 Ų | 46 | 90.4 Ų | 90.4 | 28% | 0.279 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | -56.4 | 172.7 | -176.4 | 0 | 0 | 0 | 0 | 109.3 | L184 R186 Q192 M212 L214 | L184-V194 PolarHBondContact O-N 2.87Å; R186-V194 HydrophobicContact CB-CG2 3.55Å; Q192-V194 PolarHBondContact O-N 2.79Å; V194-M212 HydrophobicContact CG1-CE 4.43Å; V194-M212 HydrophobicContact CG1-CG 4.37Å; V194-L214 HydrophobicContact CG1-CD2 4.02Å; V194-L214 HydrophobicContact CG2-CD2 4.39Å |
| 195 | V | 98.5 | Very high | 96.3 | Very high | 40 Ų | 40 | 97.2 Ų | 97.2 | 24% | 0.242 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 158.8 | -177.9 | -74.3 | 0 | 0 | 0 | 0 | 110.8 | N183 L184 F197 M212 | N183-V195 WeakPolarHBondContact CA-O 3.27Å; L184-V195 HydrophobicContact CB-CG2 3.86Å; L184-V195 HydrophobicContact CD2-CG2 4.14Å; L184-V195 PolarHBondContact N-O 2.9Å; V195-F197 HydrophobicContact CB-CE2 4.36Å; V195-F197 HydrophobicContact CB-CZ 4.47Å; V195-F197 HydrophobicContact CG2-CD2 4.14Å; V195-F197 HydrophobicContact CG2-CE2 3.37Å; V195-F197 HydrophobicContact CG2-CZ 3.68Å; V195-M212 HydrophobicContact CB-CE 4.25Å; V195-M212 HydrophobicContact CG1-CE 3.51Å; V195-M212 HydrophobicContact CG2-CE 3.7Å |
| 196 | T | 98.7 | Very high | 96.2 | Very high | 52 Ų | 52 | 98.3 Ų | 98.3 | 32% | 0.319 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 128.2 | 166.8 | -56 | 0 | 0 | 0 | 0 | 108.2 | C181 V182 N183 K193 | C181-T196 HydrophobicContact CB-CG2 4.21Å; V182-T196 WeakPolarHBondContact O-CA 3.4Å; N183-T196 WeakPolarHBondContact OD1-CG2 3.17Å; N183-T196 PolarHBondContact OD1-OG1 3.41Å; K193-T196 VanDerWaalsContact CD-OG1 3.32Å; K193-T196 WeakPolarHBondContact CD-OG1 3.14Å; K193-T196 PolarHBondContact NZ-OG1 3.26Å |
| 197 | F | 98.7 | Very high | 96.2 | Very high | 53 Ų | 53 | 98.6 Ų | 98.6 | 23% | 0.232 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 129.6 | 169.1 | -63.1 | -77.4 | 0 | 0 | 0 | 108.2 | Y172 C181 V182 V195 | Y172-F197 AromaticContact CE1-CD2 3.88Å; Y172-F197 HydrophobicContact CE1-CD2 3.88Å; Y172-F197 HydrophobicContact CE1-CE2 4.46Å; Y172-F197 HydrophobicContact CE1-CG 4.46Å; Y172-F197 WeakPolarHBondContact OH-CB 3.36Å; C181-F197 CarbonylContact C-O 3.35Å; C181-F197 WeakPolarHBondContact CA-O 3.14Å; V182-F197 PolarHBondContact N-O 2.97Å; V182-F197 PolarHBondContact O-N 2.91Å; V195-F197 HydrophobicContact CB-CE2 4.36Å; V195-F197 HydrophobicContact CB-CZ 4.47Å; V195-F197 HydrophobicContact CG2-CD2 4.14Å; V195-F197 HydrophobicContact CG2-CE2 3.37Å; V195-F197 HydrophobicContact CG2-CZ 3.68Å |
| 198 | C | 98.4 | Very high | 96.4 | Very high | 66 Ų | 66 | 98.9 Ų | 98.9 | 45% | 0.446 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 135 | -178.7 | -78.5 | 0 | 0 | 0 | 0 | 109.7 | L180 C181 Y200 | L180-C198 WeakPolarHBondContact O-CA 3Å; C181-C198 HydrophobicContact CB-CB 4.12Å; C181-C198 WeakPolarHBondContact CB-SG 3.46Å; C181-C198 WeakPolarHBondContact SG-CB 3.21Å; C181-C198 CovalentContact SG-SG 2.04Å; C181-C198 PolarHBondContact SG-SG 2.82Å; C198-Y200 HydrophobicContact CB-CE2 3.88Å |
| 199 | D | 98.4 | Very high | 96.6 | Very high | 59 Ų | 59 | 95.3 Ų | 95.3 | 32% | 0.316 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 134.8 | 176.8 | -156.1 | -17.1 | 0 | 0 | 0 | 109.6 | L180 Q206 T208 | L180-D199 PolarHBondContact N-O 2.71Å; L180-D199 PolarHBondContact O-N 3.31Å; D199-Q206 PolarHBondContact O-NE2 2.85Å; D199-T208 HydrophobicContact CB-CG2 4.12Å; D199-T208 WeakPolarHBondContact CB-OG1 3.41Å; D199-T208 WeakPolarHBondContact OD2-CB 3.44Å; D199-T208 PolarHBondContact OD2-OG1 2.83Å |
| 200 | Y | 97.9 | Very high | 97 | Very high | 128 Ų | 128 | 86 Ų | 86 | 50% | 0.502 | 42% | 0.424 | S | S | . | . | trans | -119.9 | 116.6 | -166.5 | -72.4 | -111.4 | 0 | 0 | 0 | 109.5 | N179 C198 | N179-Y200 HydrophobicContact CB-CD1 3.77Å; N179-Y200 HydrophobicContact CB-CE1 3.99Å; N179-Y200 HydrophobicContact CB-CG 4.38Å; N179-Y200 WeakPolarHBondContact OD1-CD1 3.36Å; C198-Y200 HydrophobicContact CB-CE2 3.88Å | ||
| 201 | A | 96 | Very high | 97.3 | Very high | 9 Ų | 9 | 76.3 Ų | 76.3 | 7% | 0.074 | 40% | 0.395 | C | S | . | . | trans | -109.4 | 139.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | G178 N179 T204 Q206 | G178-A201 WeakPolarHBondContact CA-O 3.19Å; N179-A201 PolarHBondContact OD1-O 2.77Å; A201-T204 HydrophobicContact CB-CG2 3.84Å; A201-Q206 HydrophobicContact CB-CB 4.33Å; A201-Q206 VanDerWaalsContact CB-CD 3.49Å; A201-Q206 HydrophobicContact CB-CG 3.94Å | ||
| 202 | Y | 96.7 | Very high | 97.4 | Very high | 217 Ų | 217 | 77.4 Ų | 77.4 | 85% | 0.851 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -119.4 | 121.5 | 169.6 | -176.7 | -97.9 | 0 | 0 | 0 | 110 | T204 | Y202-T204 PolarHBondContact O-N 3.27Å; Y202-T204 VanDerWaalsContact O-N 3.09Å |
| 203 | N | 93.5 | Very high | 97.5 | Very high | 155 Ų | 155 | 73.9 Ų | 73.9 | 83% | 0.829 | 38% | 0.384 | S | S | * | . | S | Bend | trans | 49.5 | 34.7 | 177.6 | -160 | 36.4 | 0 | 0 | 0 | 114.7 | ||
| 204 | T | 95.4 | Very high | 97.5 | Very high | 78 Ų | 78 | 68.6 Ų | 68.6 | 48% | 0.479 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -148 | 164.7 | 179.7 | -167.7 | 0 | 0 | 0 | 0 | 110.8 | R177 A201 Y202 | R177-T204 CarbonylContact C-O 3.59Å; R177-T204 WeakPolarHBondContact CA-O 3.45Å; A201-T204 HydrophobicContact CB-CG2 3.84Å; Y202-T204 PolarHBondContact O-N 3.27Å; Y202-T204 VanDerWaalsContact O-N 3.09Å |
| 205 | F | 95.2 | Very high | 97.4 | Very high | 150 Ų | 150 | 71.3 Ų | 71.3 | 66% | 0.658 | 37% | 0.369 | S | S | * | . | trans | -92.1 | 143.8 | 168.3 | -70.3 | -98.4 | 0 | 0 | 0 | 109.6 | S176 R177 L233 | S176-F205 WeakPolarHBondContact O-CA 3.16Å; R177-F205 HydrophobicContact CB-CD1 4.34Å; R177-F205 HydrophobicContact CB-CE1 4.28Å; F205-L233 HydrophobicContact CD1-CD1 3.85Å; F205-L233 HydrophobicContact CE1-CD1 3.83Å | ||
| 206 | Q | 97.1 | Very high | 97.4 | Very high | 35 Ų | 35 | 69.4 Ų | 69.4 | 16% | 0.164 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 161.7 | 175.3 | 71.4 | 179.9 | 16.9 | 0 | 0 | 111.1 | S175 S176 D199 A201 | S175-Q206 CarbonylContact C-O 3.57Å; S175-Q206 WeakPolarHBondContact CA-O 3.49Å; S176-Q206 PolarHBondContact N-O 2.87Å; S176-Q206 PolarHBondContact O-N 3.13Å; D199-Q206 PolarHBondContact O-NE2 2.85Å; A201-Q206 HydrophobicContact CB-CB 4.33Å; A201-Q206 VanDerWaalsContact CB-CD 3.49Å; A201-Q206 HydrophobicContact CB-CG 3.94Å |
| 207 | V | 98.1 | Very high | 97.3 | Very high | 97 Ų | 97 | 71.3 Ų | 71.3 | 59% | 0.588 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 123.5 | 161 | 59.9 | 0 | 0 | 0 | 0 | 107.7 | H173 A174 | H173-V207 HydrophobicContact CB-CG2 4.11Å; A174-V207 WeakPolarHBondContact O-CA 3.43Å |
| 208 | T | 97.6 | Very high | 97.1 | Very high | 13 Ų | 13 | 74.7 Ų | 74.7 | 8% | 0.08 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 159.3 | 175.1 | -165.9 | 0 | 0 | 0 | 0 | 110.2 | Y172 H173 A174 L180 D199 | Y172-T208 HydrophobicContact CE2-CG2 4.4Å; H173-T208 CarbonylContact C-O 3.53Å; H173-T208 WeakPolarHBondContact CA-O 3.02Å; A174-T208 HydrophobicContact CB-CG2 4.07Å; A174-T208 PolarHBondContact N-O 2.85Å; A174-T208 PolarHBondContact O-N 2.87Å; L180-T208 HydrophobicContact CD2-CG2 3.98Å; D199-T208 HydrophobicContact CB-CG2 4.12Å; D199-T208 WeakPolarHBondContact CB-OG1 3.41Å; D199-T208 WeakPolarHBondContact OD2-CB 3.44Å; D199-T208 PolarHBondContact OD2-OG1 2.83Å |
| 209 | T | 98.6 | Very high | 97 | Very high | 73 Ų | 73 | 73 Ų | 73 | 45% | 0.448 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 152.4 | -178.5 | -173 | 0 | 0 | 0 | 0 | 111.4 | Y172 H173 | Y172-T209 VanDerWaalsContact O-CA 3.26Å; Y172-T209 WeakPolarHBondContact O-CA 3.3Å; Y172-T209 WeakPolarHBondContact O-CB 3.39Å; Y172-T209 PolarHBondContact O-OG1 2.91Å; H173-T209 PolarHBondContact CE1-OG1 2.76Å; H173-T209 VanDerWaalsContact CE1-OG1 3.26Å; H173-T209 PolarHBondContact ND1-OG1 2.9Å |
| 210 | G | 97.9 | Very high | 97 | Very high | 4 Ų | 4 | 71.9 Ų | 71.9 | 4% | 0.041 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 144.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109 | T171 Y172 | T171-G210 WeakPolarHBondContact CA-O 3.17Å; Y172-G210 WeakPolarHBondContact CD1-O 3.26Å; Y172-G210 PolarHBondContact N-O 3.33Å; Y172-G210 PolarHBondContact O-N 2.04Å |
| 211 | G | 97.8 | Very high | 97 | Very high | 26 Ų | 26 | 67 Ų | 67 | 27% | 0.268 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 155.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | F170 | F170-G211 CarbonylContact O-C 3.31Å; F170-G211 WeakPolarHBondContact O-CA 3.34Å |
| 212 | M | 98.3 | Very high | 97.1 | Very high | 54 Ų | 54 | 66.5 Ų | 66.5 | 27% | 0.266 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 136.9 | 179.5 | -171.4 | 62.1 | 67.5 | 0 | 0 | 110.4 | F170 L184 V194 V195 L214 | F170-M212 PolarHBondContact N-O 2.73Å; F170-M212 PolarHBondContact O-N 2.97Å; L184-M212 HydrophobicContact CD2-CB 3.48Å; L184-M212 VanDerWaalsContact CD2-CB 3.48Å; L184-M212 HydrophobicContact CD2-CG 4.05Å; V194-M212 HydrophobicContact CG1-CE 4.43Å; V194-M212 HydrophobicContact CG1-CG 4.37Å; V195-M212 HydrophobicContact CB-CE 4.25Å; V195-M212 HydrophobicContact CG1-CE 3.51Å; V195-M212 HydrophobicContact CG2-CE 3.7Å; M212-L214 HydrophobicContact CB-CG 4.46Å; M212-L214 HydrophobicContact CG-CD2 3.62Å; M212-L214 HydrophobicContact CG-CG 3.83Å |
| 213 | V | 98.6 | Very high | 97.2 | Very high | 77 Ų | 77 | 56.7 Ų | 56.7 | 47% | 0.467 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 127.4 | 164.6 | 179.8 | 0 | 0 | 0 | 0 | 108.2 | L167 Y168 Y169 L247 | L167-V213 HydrophobicContact CD2-CG1 4.22Å; Y168-V213 CarbonylContact O-C 3.48Å; Y168-V213 VanDerWaalsContact O-CA 3.29Å; Y168-V213 WeakPolarHBondContact O-CA 3.37Å; Y169-V213 HydrophobicContact CD2-CG2 3.73Å; Y169-V213 HydrophobicContact CE2-CG2 4.49Å; V213-L247 HydrophobicContact CG1-CD1 4.03Å; V213-L247 HydrophobicContact CG2-CD1 4.33Å |
| 214 | L | 97.9 | Very high | 97.5 | Very high | 8 Ų | 8 | 49.4 Ų | 49.4 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 129.4 | 179.7 | -65.4 | 176.7 | 0 | 0 | 0 | 109.9 | Y168 F170 L184 V194 M212 L216 V222 | Y168-L214 PolarHBondContact N-O 3.35Å; Y168-L214 PolarHBondContact O-N 3.26Å; F170-L214 HydrophobicContact CD2-CB 4.41Å; F170-L214 HydrophobicContact CD2-CD1 3.97Å; F170-L214 HydrophobicContact CD2-CG 4.39Å; F170-L214 HydrophobicContact CE2-CB 4.32Å; F170-L214 HydrophobicContact CE2-CD1 4.21Å; L184-L214 HydrophobicContact CD2-CD1 4.25Å; V194-L214 HydrophobicContact CG1-CD2 4.02Å; V194-L214 HydrophobicContact CG2-CD2 4.39Å; M212-L214 HydrophobicContact CB-CG 4.46Å; M212-L214 HydrophobicContact CG-CD2 3.62Å; M212-L214 HydrophobicContact CG-CG 3.83Å; L214-L216 HydrophobicContact CB-CD2 4.07Å; L214-L216 HydrophobicContact CB-CG 4.34Å; L214-V222 HydrophobicContact CD1-CG1 4.27Å; L214-V222 HydrophobicContact CD1-CG2 4.08Å |
| 215 | K | 97.1 | Very high | 97.6 | Very high | 103 Ų | 103 | 47 Ų | 47 | 45% | 0.448 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 130.3 | 158.5 | -166.5 | 171.1 | -177.6 | 172.2 | 0 | 108.4 | G166 L167 R186 D250 | G166-K215 WeakPolarHBondContact O-CA 3.32Å; L167-K215 HydrophobicContact CD2-CB 3.79Å; L167-K215 HydrophobicContact CD2-CG 4.3Å; R186-K215 PolarHBondContact NH1-O 2.73Å; K215-D250 WeakPolarHBondContact CE-OD1 3.37Å; K215-D250 WeakPolarHBondContact CE-OD2 3.46Å; K215-D250 IonicContact NZ-OD1 3.68Å; K215-D250 PolarHBondContact NZ-OD1 3.42Å; K215-D250 IonicContact NZ-OD2 3.73Å |
| 216 | L | 97.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 140.6 | -178.4 | -62.1 | -177.1 | 0 | 0 | 0 | 111.3 | F160 C162 P165 G166 Y168 F170 R186 L214 E220 V222 | F160-L216 HydrophobicContact CD1-CD1 4.27Å; F160-L216 HydrophobicContact CE1-CD1 3.82Å; C162-L216 HydrophobicContact CB-CB 4.05Å; C162-L216 HydrophobicContact CB-CD1 4.18Å; P165-L216 WeakPolarHBondContact CA-O 3.26Å; G166-L216 PolarHBondContact N-O 3.05Å; G166-L216 VanDerWaalsContact N-O 3.11Å; G166-L216 PolarHBondContact O-N 3.07Å; Y168-L216 HydrophobicContact CD2-CB 4.05Å; Y168-L216 HydrophobicContact CD2-CD1 3.8Å; Y168-L216 HydrophobicContact CD2-CG 4.04Å; Y168-L216 HydrophobicContact CE2-CB 4.28Å; Y168-L216 HydrophobicContact CE2-CD1 4.33Å; Y168-L216 HydrophobicContact CG-CD1 4.06Å; F170-L216 HydrophobicContact CE2-CD1 3.75Å; F170-L216 HydrophobicContact CZ-CD1 3.68Å; R186-L216 HydrophobicContact CG-CD2 3.95Å; L214-L216 HydrophobicContact CB-CD2 4.07Å; L214-L216 HydrophobicContact CB-CG 4.34Å; L216-E220 WeakPolarHBondContact CA-OE2 3.46Å; L216-V222 HydrophobicContact CD1-CG2 3.77Å; L216-V222 HydrophobicContact CD2-CG2 3.7Å; L216-V222 HydrophobicContact CG-CG2 4.39Å |
| 217 | E | 96.3 | Very high | 97.8 | Very high | 92 Ų | 92 | 39.1 Ų | 39.1 | 43% | 0.43 | 22% | 0.218 | S | C | . | . | trans | -93.2 | 157.1 | 168.9 | -60.6 | -59.9 | 154.7 | 0 | 0 | 111.2 | C162 G219 E220 | C162-E217 VanDerWaalsContact CB-O 3.31Å; C162-E217 WeakPolarHBondContact CB-O 3.47Å; E217-G219 PolarHBondContact O-N 2.9Å; E217-E220 HydrophobicContact CB-CG 4.16Å; E217-E220 PolarHBondContact N-OE2 2.88Å; E217-E220 WeakPolarHBondContact O-CB 3.15Å; E217-E220 PolarHBondContact O-N 2.88Å; E217-E220 VanDerWaalsContact O-N 3.09Å | ||
| 218 | Q | 95.4 | Very high | 97.8 | Very high | 124 Ų | 124 | 39.1 Ų | 39.1 | 58% | 0.579 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 132.8 | 177.2 | -171 | 177.9 | 61 | 0 | 0 | 111.2 | K163 P165 R188 E220 | K163-Q218 PolarHBondContact O-NE2 3.49Å; P165-Q218 HydrophobicContact CG-CB 4.08Å; R188-Q218 PolarHBondContact NH2-O 2.77Å; R188-Q218 VanDerWaalsContact NH2-O 3.08Å; Q218-E220 VanDerWaalsContact C-N 3.33Å |
| 219 | G | 95.9 | Very high | 97.8 | Very high | 32 Ų | 32 | 42.4 Ų | 42.4 | 33% | 0.33 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | -4.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | C162 E217 | C162-G219 PolarHBondContact O-N 2.8Å; E217-G219 PolarHBondContact O-N 2.9Å |
| 220 | E | 98.2 | Very high | 97.7 | Very high | 34 Ų | 34 | 42 Ų | 42 | 16% | 0.159 | 22% | 0.224 | C | C | . | . | trans | -70.9 | 142.4 | 171.1 | -68.9 | -162.4 | 107.2 | 0 | 0 | 111.9 | T161 C162 R188 L216 E217 Q218 | T161-E220 WeakPolarHBondContact CA-O 3.49Å; C162-E220 PolarHBondContact N-O 3.09Å; R188-E220 HydrophobicContact CG-CG 4.1Å; L216-E220 WeakPolarHBondContact CA-OE2 3.46Å; E217-E220 HydrophobicContact CB-CG 4.16Å; E217-E220 PolarHBondContact N-OE2 2.88Å; E217-E220 WeakPolarHBondContact O-CB 3.15Å; E217-E220 PolarHBondContact O-N 2.88Å; E217-E220 VanDerWaalsContact O-N 3.09Å; Q218-E220 VanDerWaalsContact C-N 3.33Å | ||
| 221 | N | 98.4 | Very high | 97.7 | Very high | 25 Ų | 25 | 43 Ų | 43 | 13% | 0.134 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 144.1 | 177 | -57.5 | -61.9 | 0 | 0 | 0 | 111.3 | F160 T161 R186 G187 R188 F223 | F160-N221 CarbonylContact O-C 3.57Å; F160-N221 WeakPolarHBondContact O-CA 3.48Å; T161-N221 PolarHBondContact OG1-OD1 3.4Å; R186-N221 CarbonylContact C-O 3.48Å; R186-N221 VanDerWaalsContact CA-O 3.25Å; R186-N221 WeakPolarHBondContact CA-O 3.28Å; G187-N221 PolarHBondContact N-O 3.2Å; G187-N221 WeakPolarHBondContact O-CA 3.4Å; G187-N221 VanDerWaalsContact O-CB 3.25Å; G187-N221 WeakPolarHBondContact O-CB 3.26Å; G187-N221 PolarHBondContact O-N 3.4Å; G187-N221 PolarHBondContact O-ND2 2.79Å; R188-N221 PolarHBondContact O-ND2 2.86Å; N221-F223 HydrophobicContact CB-CD1 4.39Å |
| 222 | V | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 131.8 | 167.4 | -179.2 | 0 | 0 | 0 | 0 | 109.4 | F160 F170 L184 M185 R186 L214 L216 F242 | F160-V222 HydrophobicContact CD1-CB 4.45Å; F160-V222 PolarHBondContact N-O 2.84Å; F160-V222 PolarHBondContact O-N 2.95Å; F170-V222 HydrophobicContact CD1-CB 4.41Å; F170-V222 HydrophobicContact CD1-CG1 3.88Å; F170-V222 HydrophobicContact CD2-CG1 4.05Å; F170-V222 HydrophobicContact CE1-CB 3.91Å; F170-V222 HydrophobicContact CE1-CG1 3.89Å; F170-V222 HydrophobicContact CE1-CG2 4.4Å; F170-V222 HydrophobicContact CE2-CB 4.18Å; F170-V222 HydrophobicContact CE2-CG1 4.07Å; F170-V222 HydrophobicContact CE2-CG2 3.85Å; F170-V222 HydrophobicContact CG-CG1 3.95Å; F170-V222 HydrophobicContact CZ-CB 3.8Å; F170-V222 HydrophobicContact CZ-CG1 4Å; F170-V222 HydrophobicContact CZ-CG2 3.78Å; L184-V222 HydrophobicContact CD1-CG1 3.74Å; M185-V222 VanDerWaalsContact O-CA 3.31Å; M185-V222 WeakPolarHBondContact O-CA 3.33Å; R186-V222 HydrophobicContact CG-CG2 4.42Å; L214-V222 HydrophobicContact CD1-CG1 4.27Å; L214-V222 HydrophobicContact CD1-CG2 4.08Å; L216-V222 HydrophobicContact CD1-CG2 3.77Å; L216-V222 HydrophobicContact CD2-CG2 3.7Å; L216-V222 HydrophobicContact CG-CG2 4.39Å; V222-F242 HydrophobicContact CG1-CZ 4.41Å |
| 223 | F | 98.8 | Very high | 97.4 | Very high | 11 Ų | 11 | 41.1 Ų | 41.1 | 5% | 0.048 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 163.4 | 178.5 | 59.5 | -86.4 | 0 | 0 | 0 | 112 | T139 G158 K159 M185 A191 N221 Q225 | T139-F223 HydrophobicContact CG2-CB 4.1Å; T139-F223 HydrophobicContact CG2-CD2 3.68Å; T139-F223 HydrophobicContact CG2-CE2 4.42Å; T139-F223 HydrophobicContact CG2-CG 4.12Å; G158-F223 WeakPolarHBondContact O-CB 3.45Å; K159-F223 HydrophobicContact CB-CB 4.37Å; K159-F223 HydrophobicContact CD-CD1 4.08Å; K159-F223 HydrophobicContact CD-CE1 4.41Å; K159-F223 HydrophobicContact CG-CB 3.91Å; K159-F223 HydrophobicContact CG-CD1 3.93Å; K159-F223 HydrophobicContact CG-CG 4.01Å; M185-F223 HydrophobicContact CB-CD1 4.15Å; M185-F223 HydrophobicContact CB-CD2 3.96Å; M185-F223 HydrophobicContact CB-CE1 3.85Å; M185-F223 HydrophobicContact CB-CE2 3.66Å; M185-F223 HydrophobicContact CB-CG 4.2Å; M185-F223 HydrophobicContact CB-CZ 3.6Å; M185-F223 HydrophobicContact CG-CD2 4.02Å; M185-F223 HydrophobicContact CG-CE2 3.61Å; M185-F223 HydrophobicContact CG-CZ 3.97Å; M185-F223 PolarHBondContact N-O 3.25Å; M185-F223 PolarHBondContact O-N 3.48Å; A191-F223 HydrophobicContact CB-CE1 3.62Å; A191-F223 HydrophobicContact CB-CZ 3.68Å; N221-F223 HydrophobicContact CB-CD1 4.39Å; F223-Q225 HydrophobicContact CD2-CB 4.39Å; F223-Q225 HydrophobicContact CE2-CB 4.17Å |
| 224 | L | 98.8 | Very high | 96.9 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 137.4 | 172.6 | -60.4 | -178.9 | 0 | 0 | 0 | 110 | I140 F142 Y172 V182 N183 L184 F242 | I140-L224 HydrophobicContact CB-CB 4.19Å; I140-L224 HydrophobicContact CD1-CB 4.18Å; I140-L224 HydrophobicContact CG1-CB 4.43Å; I140-L224 PolarHBondContact N-O 2.88Å; F142-L224 HydrophobicContact CE2-CB 4.42Å; F142-L224 HydrophobicContact CE2-CD1 3.78Å; F142-L224 HydrophobicContact CE2-CG 4.49Å; F142-L224 HydrophobicContact CZ-CD1 3.75Å; Y172-L224 HydrophobicContact CD1-CD1 3.87Å; Y172-L224 HydrophobicContact CD1-CD2 4.01Å; Y172-L224 HydrophobicContact CD2-CD1 4.31Å; Y172-L224 HydrophobicContact CE1-CD2 4.36Å; Y172-L224 HydrophobicContact CG-CD1 3.7Å; V182-L224 HydrophobicContact CG1-CB 3.72Å; V182-L224 HydrophobicContact CG1-CD1 4.21Å; V182-L224 HydrophobicContact CG1-CD2 3.83Å; V182-L224 HydrophobicContact CG1-CG 4.11Å; N183-L224 CarbonylContact O-C 3.48Å; N183-L224 WeakPolarHBondContact O-CA 3.37Å; L184-L224 HydrophobicContact CB-CD2 4.42Å; L184-L224 HydrophobicContact CD1-CD2 3.73Å; L224-F242 HydrophobicContact CD1-CB 4.24Å; L224-F242 HydrophobicContact CD1-CD2 3.85Å; L224-F242 HydrophobicContact CD1-CE2 4.33Å; L224-F242 HydrophobicContact CD1-CG 3.97Å; L224-F242 HydrophobicContact CD2-CE2 4.34Å; L224-F242 HydrophobicContact CG-CD1 4.47Å; L224-F242 HydrophobicContact CG-CD2 4.15Å; L224-F242 HydrophobicContact CG-CE1 4.47Å; L224-F242 HydrophobicContact CG-CE2 4.16Å; L224-F242 HydrophobicContact CG-CG 4.32Å; L224-F242 HydrophobicContact CG-CZ 4.32Å |
| 225 | Q | 98.6 | Very high | 96.3 | Very high | 28 Ų | 28 | 42 Ų | 42 | 13% | 0.131 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 135.4 | 179.5 | 179.7 | -175.2 | 67.6 | 0 | 0 | 110.3 | D137 Q138 N183 M185 F223 | D137-Q225 WeakPolarHBondContact O-CG 3.38Å; D137-Q225 PolarHBondContact O-NE2 2.86Å; Q138-Q225 WeakPolarHBondContact O-CA 3.36Å; N183-Q225 HydrophobicContact CB-CB 4.15Å; N183-Q225 PolarHBondContact N-O 2.82Å; N183-Q225 PolarHBondContact O-N 2.96Å; M185-Q225 HydrophobicContact CG-CB 3.59Å; M185-Q225 HydrophobicContact SD-CB 4.23Å; M185-Q225 PolarHBondContact SD-OE1 3.07Å; F223-Q225 HydrophobicContact CD2-CB 4.39Å; F223-Q225 HydrophobicContact CE2-CB 4.17Å |
| 226 | A | 98.2 | Very high | 95.7 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 2% | 0.017 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 154.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | L134 R135 D137 Q138 I140 | L134-A226 HydrophobicContact CB-CB 3.75Å; L134-A226 HydrophobicContact CD1-CB 4.18Å; L134-A226 HydrophobicContact CG-CB 4.4Å; R135-A226 WeakPolarHBondContact O-CB 3.42Å; D137-A226 PolarHBondContact N-O 3.47Å; Q138-A226 PolarHBondContact O-N 3.1Å; I140-A226 HydrophobicContact CD1-CB 4.24Å; I140-A226 HydrophobicContact CG1-CB 4Å |
| 227 | T | 98.4 | Very high | 95.3 | Very high | 16 Ų | 16 | 49.7 Ų | 49.7 | 10% | 0.098 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | -171.3 | 174.4 | 69.5 | 0 | 0 | 0 | 0 | 109.8 | C181 K229 | C181-T227 HydrophobicContact CB-CG2 4.08Å; C181-T227 VanDerWaalsContact CB-OG1 3.27Å; C181-T227 WeakPolarHBondContact CB-OG1 3.17Å; C181-T227 WeakPolarHBondContact O-CG2 3.23Å; C181-T227 PolarHBondContact O-OG1 3.3Å; T227-K229 PolarHBondContact O-N 2.93Å; T227-K229 PolarHBondContact OG1-N 2.87Å; T227-K229 VanDerWaalsContact OG1-N 3.13Å; T227-K229 PolarHBondContact OG1-O 3.37Å |
| 228 | D | 97.4 | Very high | 95.1 | Very high | 97 Ų | 97 | 46.1 Ų | 46.1 | 52% | 0.519 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | -20.6 | 171.2 | -54.1 | -52.6 | 0 | 0 | 0 | 112.9 | R136 N230 | R136-D228 WeakPolarHBondContact CB-OD1 3.33Å; R136-D228 WeakPolarHBondContact CD-OD1 3.22Å; R136-D228 WeakPolarHBondContact CG-OD1 3.37Å; R136-D228 IonicContact NE-OD1 3.33Å; R136-D228 IonicContact NE-OD2 3.23Å; R136-D228 PolarHBondContact NE-OD2 2.82Å; D228-N230 PolarHBondContact O-N 2.82Å |
| 229 | K | 98 | Very high | 95.2 | Very high | 82 Ų | 82 | 44.2 Ų | 44.2 | 36% | 0.357 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 90.2 | 176.2 | -65 | 82.6 | -178.5 | 171 | 0 | 106.7 | N179 L180 C181 T227 | N179-K229 HydrophobicContact CB-CB 4.22Å; N179-K229 HydrophobicContact CB-CG 4.13Å; N179-K229 CarbonylContact O-C 3.55Å; L180-K229 WeakPolarHBondContact CA-O 3.27Å; C181-K229 HydrophobicContact CB-CB 4Å; C181-K229 PolarHBondContact N-O 3.39Å; T227-K229 PolarHBondContact O-N 2.93Å; T227-K229 PolarHBondContact OG1-N 2.87Å; T227-K229 VanDerWaalsContact OG1-N 3.13Å; T227-K229 PolarHBondContact OG1-O 3.37Å |
| 230 | N | 96.8 | Very high | 95.3 | Very high | 66 Ų | 66 | 42.7 Ų | 42.7 | 35% | 0.353 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 20.6 | -161.2 | 64.7 | -8.7 | 0 | 0 | 0 | 113.7 | L134 D228 L232 | L134-N230 HydrophobicContact CB-CB 4.32Å; L134-N230 PolarHBondContact O-ND2 2.72Å; D228-N230 PolarHBondContact O-N 2.82Å; N230-L232 PolarHBondContact O-N 2.94Å |
| 231 | S | 96.5 | Very high | 95.3 | Very high | 24 Ų | 24 | 43 Ų | 43 | 17% | 0.168 | 24% | 0.24 | C | C | . | . | trans | -70.6 | 80.3 | 177.8 | -168 | 0 | 0 | 0 | 0 | 110.2 | S176 R177 G178 N179 | S176-S231 WeakPolarHBondContact CA-O 3.39Å; S176-S231 WeakPolarHBondContact CB-O 3.45Å; S176-S231 PolarHBondContact OG-O 3.47Å; R177-S231 PolarHBondContact N-OG 2.9Å; G178-S231 WeakPolarHBondContact CA-OG 3.5Å; G178-S231 PolarHBondContact N-OG 2.7Å; G178-S231 VanDerWaalsContact N-OG 3.08Å; N179-S231 WeakPolarHBondContact O-CB 3.42Å; N179-S231 PolarHBondContact O-N 2.74Å | ||
| 232 | L | 96.8 | Very high | 95.3 | Very high | 21 Ų | 21 | 41.9 Ų | 41.9 | 11% | 0.11 | 23% | 0.234 | C | C | . | . | trans | -114.7 | 128.8 | 179 | -175.2 | 69.7 | 0 | 0 | 0 | 109.7 | L134 I140 A174 L180 N230 S240 | L134-L232 HydrophobicContact CD1-CB 4.1Å; L134-L232 HydrophobicContact CD1-CD2 3.66Å; I140-L232 HydrophobicContact CD1-CD2 4.37Å; I140-L232 HydrophobicContact CG2-CD2 3.58Å; A174-L232 HydrophobicContact CB-CD1 3.53Å; L180-L232 HydrophobicContact CD1-CB 4.13Å; L180-L232 HydrophobicContact CD1-CD1 4.48Å; L180-L232 HydrophobicContact CD2-CD1 3.82Å; N230-L232 PolarHBondContact O-N 2.94Å; L232-S240 WeakPolarHBondContact CD1-OG 3.5Å | ||
| 233 | L | 94.3 | Very high | 95.3 | Very high | 20 Ų | 20 | 42.6 Ų | 42.6 | 11% | 0.105 | 24% | 0.239 | C | C | . | . | B | Isolated β-bridge | trans | -104.4 | 144.5 | 176.8 | -60.7 | 177.1 | 0 | 0 | 0 | 110.6 | S175 R177 F205 S240 | S175-L233 PolarHBondContact O-N 3.31Å; R177-L233 HydrophobicContact CB-CD1 4.1Å; R177-L233 HydrophobicContact CG-CD1 4.3Å; R177-L233 HydrophobicContact CG-CD2 4.16Å; R177-L233 HydrophobicContact CG-CG 4.44Å; F205-L233 HydrophobicContact CD1-CD1 3.85Å; F205-L233 HydrophobicContact CE1-CD1 3.83Å; L233-S240 VanDerWaalsContact O-CB 3.27Å; L233-S240 WeakPolarHBondContact O-CB 3.35Å; L233-S240 PolarHBondContact O-OG 3.28Å |
| 234 | G | 87.6 | Confident | 95.3 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -145.5 | 85.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110 | R128 T129 N131 | R128-G234 CarbonylContact O-C 3.51Å; R128-G234 WeakPolarHBondContact O-CA 3.16Å; T129-G234 CarbonylContact C-O 3.58Å; N131-G234 PolarHBondContact ND2-O 2.97Å; N131-G234 PolarHBondContact OD1-N 3.44Å; N131-G234 PolarHBondContact OD1-O 3.35Å | ||
| 235 | M | 84.4 | Confident | 95.3 | Very high | 104 Ų | 104 | 46 Ų | 46 | 51% | 0.512 | 25% | 0.254 | S | S | . | . | B | Isolated β-bridge | trans | -147.1 | 163.3 | 180 | 62.8 | -174.1 | -68.5 | 0 | 0 | 111.6 | G237 A238 N239 | M235-G237 PolarHBondContact O-N 2.81Å; M235-A238 HydrophobicContact CG-CB 4.05Å; M235-A238 PolarHBondContact N-O 2.58Å; M235-A238 CarbonylContact O-C 3.11Å; M235-A238 PolarHBondContact O-N 3.47Å; M235-N239 PolarHBondContact O-N 3.01Å; M235-N239 PolarHBondContact O-ND2 2.83Å |
| 236 | E | 84.3 | Confident | 95.2 | Very high | 184 Ų | 184 | 45.7 Ų | 45.7 | 86% | 0.86 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 130.8 | 170.9 | -165.1 | 173.2 | -178.7 | 0 | 0 | 109.9 | A238 | E236-A238 VanDerWaalsContact C-N 3.32Å; E236-A238 PolarHBondContact O-N 3.08Å |
| 237 | G | 88.9 | Confident | 94.9 | Very high | 79 Ų | 79 | 48.3 Ų | 48.3 | 81% | 0.814 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86 | -12.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | M235 | M235-G237 PolarHBondContact O-N 2.81Š|
| 238 | A | 92.9 | Very high | 94.4 | Very high | 18 Ų | 18 | 54.1 Ų | 54.1 | 15% | 0.149 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | -148.6 | 70.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | S175 M235 E236 | S175-A238 VanDerWaalsContact OG-C 3.28Å; M235-A238 HydrophobicContact CG-CB 4.05Å; M235-A238 PolarHBondContact N-O 2.58Å; M235-A238 CarbonylContact O-C 3.11Å; M235-A238 PolarHBondContact O-N 3.47Å; E236-A238 VanDerWaalsContact C-N 3.32Å; E236-A238 PolarHBondContact O-N 3.08Å |
| 239 | N | 96.4 | Very high | 93.8 | Very high | 84 Ų | 84 | 52.1 Ų | 52.1 | 45% | 0.449 | 28% | 0.283 | S | S | . | . | trans | -79.2 | 140 | -173.6 | -60.6 | 101.9 | 0 | 0 | 0 | 112.5 | S175 M235 | S175-N239 PolarHBondContact OG-O 2.82Å; S175-N239 VanDerWaalsContact OG-O 3.07Å; M235-N239 PolarHBondContact O-N 3.01Å; M235-N239 PolarHBondContact O-ND2 2.83Å | ||
| 240 | S | 98.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 129.9 | 160.6 | -68.5 | 0 | 0 | 0 | 0 | 109.7 | T127 R128 H173 A174 S175 L232 L233 | T127-S240 CarbonylContact C-O 3.5Å; T127-S240 WeakPolarHBondContact CA-O 3.4Å; R128-S240 PolarHBondContact N-O 3.09Å; H173-S240 CarbonylContact O-C 3.42Å; H173-S240 VanDerWaalsContact O-CA 3.25Å; H173-S240 WeakPolarHBondContact O-CA 3.16Å; A174-S240 WeakPolarHBondContact CA-OG 3.18Å; S175-S240 PolarHBondContact N-OG 3.41Å; L232-S240 WeakPolarHBondContact CD1-OG 3.5Å; L233-S240 VanDerWaalsContact O-CB 3.27Å; L233-S240 WeakPolarHBondContact O-CB 3.35Å; L233-S240 PolarHBondContact O-OG 3.28Å |
| 241 | I | 98.7 | Very high | 92 | Very high | 39 Ų | 39 | 56.5 Ų | 56.5 | 20% | 0.2 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 142.1 | -175.6 | -172.1 | 170.8 | 0 | 0 | 0 | 110.6 | A126 T127 I146 Y172 H173 | A126-I241 CarbonylContact O-C 3.57Å; A126-I241 WeakPolarHBondContact O-CA 3.43Å; T127-I241 HydrophobicContact CG2-CB 3.97Å; T127-I241 HydrophobicContact CG2-CD1 4.3Å; T127-I241 HydrophobicContact CG2-CG1 4.07Å; I146-I241 HydrophobicContact CD1-CD1 4.03Å; Y172-I241 CarbonylContact C-O 3.49Å; Y172-I241 WeakPolarHBondContact CA-O 3.5Å; Y172-I241 VanDerWaalsContact CB-O 3.23Å; Y172-I241 WeakPolarHBondContact CB-O 3.14Å; H173-I241 HydrophobicContact CB-CG2 3.87Å; H173-I241 PolarHBondContact N-O 3.48Å; H173-I241 PolarHBondContact O-N 3.41Å |
| 242 | F | 98.9 | Very high | 90.3 | Very high | 2 Ų | 2 | 64.7 Ų | 64.7 | 1% | 0.009 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 132.5 | 169.3 | 179.3 | -138.9 | 0 | 0 | 0 | 109.5 | F124 S125 A126 F142 Y153 F170 T171 V222 L224 | F124-F242 AromaticContact CE2-CD1 3.68Å; F124-F242 HydrophobicContact CE2-CD1 3.68Å; F124-F242 AromaticContact CE2-CE1 3.94Å; F124-F242 HydrophobicContact CE2-CE1 3.94Å; F124-F242 HydrophobicContact CE2-CG 4.1Å; F124-F242 WeakPolarHBondContact CE2-O 3.48Å; F124-F242 AromaticContact CZ-CD1 3.84Å; F124-F242 HydrophobicContact CZ-CD1 3.84Å; F124-F242 AromaticContact CZ-CE1 3.62Å; F124-F242 HydrophobicContact CZ-CE1 3.62Å; F124-F242 HydrophobicContact CZ-CE2 4.37Å; F124-F242 HydrophobicContact CZ-CG 4.31Å; F124-F242 AromaticContact CZ-CZ 3.9Å; F124-F242 HydrophobicContact CZ-CZ 3.9Å; S125-F242 WeakPolarHBondContact CA-O 3.07Å; A126-F242 PolarHBondContact N-O 2.96Å; A126-F242 PolarHBondContact O-N 2.69Å; F142-F242 HydrophobicContact CD1-CB 3.88Å; F142-F242 HydrophobicContact CD2-CB 3.66Å; F142-F242 HydrophobicContact CD2-CD1 4.27Å; F142-F242 HydrophobicContact CD2-CG 4.38Å; F142-F242 HydrophobicContact CE1-CB 3.83Å; F142-F242 HydrophobicContact CE2-CB 3.63Å; F142-F242 HydrophobicContact CE2-CD1 4.39Å; F142-F242 HydrophobicContact CE2-CG 4.26Å; F142-F242 HydrophobicContact CG-CB 3.82Å; F142-F242 HydrophobicContact CZ-CB 3.72Å; Y153-F242 HydrophobicContact CE2-CD1 4.08Å; Y153-F242 HydrophobicContact CE2-CE1 4.4Å; F170-F242 HydrophobicContact CB-CE2 4.18Å; F170-F242 HydrophobicContact CD1-CE2 4.16Å; F170-F242 AromaticContact CD1-CZ 3.88Å; F170-F242 HydrophobicContact CD1-CZ 3.88Å; T171-F242 WeakPolarHBondContact O-CD2 3.5Å; V222-F242 HydrophobicContact CG1-CZ 4.41Å; L224-F242 HydrophobicContact CD1-CB 4.24Å; L224-F242 HydrophobicContact CD1-CD2 3.85Å; L224-F242 HydrophobicContact CD1-CE2 4.33Å; L224-F242 HydrophobicContact CD1-CG 3.97Å; L224-F242 HydrophobicContact CD2-CE2 4.34Å; L224-F242 HydrophobicContact CG-CD1 4.47Å; L224-F242 HydrophobicContact CG-CD2 4.15Å; L224-F242 HydrophobicContact CG-CE1 4.47Å; L224-F242 HydrophobicContact CG-CE2 4.16Å; L224-F242 HydrophobicContact CG-CG 4.32Å; L224-F242 HydrophobicContact CG-CZ 4.32Å |
| 243 | S | 98.9 | Very high | 88 | Confident | 15 Ų | 15 | 68.3 Ų | 68.3 | 11% | 0.105 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 154.4 | -174.6 | -61.3 | 0 | 0 | 0 | 0 | 111.2 | F124 S125 F170 T171 | F124-S243 CarbonylContact O-C 3.57Å; F124-S243 WeakPolarHBondContact O-CA 3.37Å; F124-S243 WeakPolarHBondContact O-CB 3.4Å; S125-S243 WeakPolarHBondContact CB-OG 3.36Å; S125-S243 PolarHBondContact OG-OG 2.92Å; F170-S243 WeakPolarHBondContact CA-O 3.25Å; T171-S243 PolarHBondContact N-O 2.89Å; T171-S243 PolarHBondContact O-N 2.88Å; T171-S243 VanDerWaalsContact O-O 3.08Å |
| 244 | G | 98.7 | Very high | 87.7 | Confident | 1 Ų | 1 | 70.8 Ų | 70.8 | 1% | 0.01 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.4 | 152.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A123 F124 Y169 | A123-G244 CarbonylContact C-O 3.6Å; A123-G244 VanDerWaalsContact CA-O 3.32Å; A123-G244 WeakPolarHBondContact CA-O 3.44Å; F124-G244 VanDerWaalsContact CD1-O 3.32Å; F124-G244 WeakPolarHBondContact CD1-O 3.31Å; F124-G244 VanDerWaalsContact CE1-N 3.29Å; F124-G244 PolarHBondContact N-O 3.29Å; F124-G244 PolarHBondContact O-N 3.07Å; Y169-G244 CarbonylContact O-C 3.59Å; Y169-G244 WeakPolarHBondContact O-CA 3.37Å |
| 245 | F | 98.1 | Very high | 87.7 | Confident | 84 Ų | 84 | 74.5 Ų | 74.5 | 37% | 0.368 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 153 | -177.6 | 55.4 | -88.3 | 0 | 0 | 0 | 112 | I122 A123 Y168 Y169 L247 | I122-F245 CarbonylContact O-C 3.48Å; I122-F245 VanDerWaalsContact O-CA 3.24Å; I122-F245 WeakPolarHBondContact O-CA 3.47Å; I122-F245 WeakPolarHBondContact O-CB 3.4Å; A123-F245 HydrophobicContact CB-CB 3.86Å; Y168-F245 WeakPolarHBondContact CA-O 3.24Å; Y169-F245 AromaticContact CD1-CE1 3.62Å; Y169-F245 HydrophobicContact CD1-CE1 3.62Å; Y169-F245 AromaticContact CD1-CZ 3.65Å; Y169-F245 HydrophobicContact CD1-CZ 3.65Å; Y169-F245 HydrophobicContact CE1-CE1 4.5Å; Y169-F245 HydrophobicContact CG-CE1 4.47Å; Y169-F245 HydrophobicContact CG-CZ 4.28Å; Y169-F245 PolarHBondContact N-O 2.93Å; Y169-F245 PolarHBondContact O-N 2.99Å; F245-L247 HydrophobicContact CD2-CD2 3.88Å; F245-L247 HydrophobicContact CE2-CD2 3.38Å; F245-L247 HydrophobicContact CZ-CD2 4.34Å |
| 246 | L | 95.8 | Very high | 87.9 | Confident | 22 Ų | 22 | 72.8 Ų | 72.8 | 12% | 0.115 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 128.4 | 174.4 | 179.7 | 69 | 0 | 0 | 0 | 109.4 | Q120 I122 V164 Y168 P249 | Q120-L246 HydrophobicContact CB-CD2 4.26Å; I122-L246 HydrophobicContact CB-CB 4.08Å; I122-L246 PolarHBondContact O-N 2.95Å; V164-L246 HydrophobicContact CG1-CD2 4.26Å; Y168-L246 HydrophobicContact CD1-CB 4.09Å; Y168-L246 HydrophobicContact CD1-CD1 4.4Å; Y168-L246 HydrophobicContact CD2-CD1 4.06Å; Y168-L246 HydrophobicContact CE1-CB 3.65Å; Y168-L246 HydrophobicContact CE1-CD1 3.93Å; Y168-L246 HydrophobicContact CE1-CG 4.38Å; Y168-L246 HydrophobicContact CE2-CD1 3.56Å; Y168-L246 HydrophobicContact CG-CD1 4.45Å; Y168-L246 VanDerWaalsContact CZ-CD1 3.5Å; L246-P249 HydrophobicContact CD2-CB 4.08Å; L246-P249 HydrophobicContact CD2-CG 4.46Å |
| 247 | L | 93 | Very high | 88.1 | Confident | 57 Ų | 57 | 66.3 Ų | 66.3 | 30% | 0.298 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | -57.1 | 172.4 | -59.7 | 176.4 | 0 | 0 | 0 | 110.1 | L167 V213 F245 | L167-L247 HydrophobicContact CB-CB 4.35Å; L167-L247 WeakPolarHBondContact O-CB 3.49Å; L167-L247 PolarHBondContact O-N 3.21Å; V213-L247 HydrophobicContact CG1-CD1 4.03Å; V213-L247 HydrophobicContact CG2-CD1 4.33Å; F245-L247 HydrophobicContact CD2-CD2 3.88Å; F245-L247 HydrophobicContact CE2-CD2 3.38Å; F245-L247 HydrophobicContact CZ-CD2 4.34Å |
| 248 | F | 86.9 | Confident | 88 | Confident | 138 Ų | 138 | 65.5 Ų | 65.5 | 61% | 0.605 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 119.2 | -176.5 | -53.5 | -66.7 | 0 | 0 | 0 | 109 | G166 L167 | G166-F248 WeakPolarHBondContact CA-O 3.42Å; L167-F248 HydrophobicContact CD1-CD2 4.21Å; L167-F248 PolarHBondContact N-O 3.4Å; L167-F248 PolarHBondContact O-N 3.03Å |
| 249 | P | 86.4 | Confident | 87.7 | Confident | 55 Ų | 55 | 68.7 Ų | 68.7 | 36% | 0.357 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 150.1 | 169 | 27.5 | -31.1 | 0 | 0 | 0 | 110.3 | V164 L246 | V164-P249 HydrophobicContact CG1-CB 4.02Å; L246-P249 HydrophobicContact CD2-CB 4.08Å; L246-P249 HydrophobicContact CD2-CG 4.46Å |
| 250 | D | 83.9 | Confident | 87.1 | Confident | 46 Ų | 46 | 67.6 Ų | 67.6 | 25% | 0.246 | 36% | 0.357 | C | S | . | . | trans | -67.2 | 139.4 | 168.2 | -73.4 | -36.8 | 0 | 0 | 0 | 109.6 | P165 G166 K215 E252 A253 | P165-D250 HydrophobicContact CB-CB 4.34Å; P165-D250 WeakPolarHBondContact CB-OD2 3.36Å; P165-D250 PolarHBondContact O-N 3.4Å; G166-D250 PolarHBondContact N-OD2 3.03Å; K215-D250 WeakPolarHBondContact CE-OD1 3.37Å; K215-D250 WeakPolarHBondContact CE-OD2 3.46Å; K215-D250 IonicContact NZ-OD1 3.68Å; K215-D250 PolarHBondContact NZ-OD1 3.42Å; K215-D250 IonicContact NZ-OD2 3.73Å; D250-E252 PolarHBondContact O-N 3.09Å; D250-A253 PolarHBondContact O-N 3.48Å | ||
| 251 | M | 72 | Confident | 86.2 | Confident | 194 Ų | 194 | 72.8 Ų | 72.8 | 96% | 0.956 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -6.9 | -171 | -67.4 | -76.1 | -74.3 | 0 | 0 | 114.7 | ||
| 252 | E | 60.8 | Low | 85.2 | Confident | 195 Ų | 195 | 75.6 Ų | 75.6 | 91% | 0.911 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.6 | 9.1 | -174.9 | -65.3 | -178.4 | 168.9 | 0 | 0 | 113.6 | D250 | D250-E252 PolarHBondContact O-N 3.09Š|
| 253 | A | 48.9 | Very low | 84 | Confident | 98 Ų | 98 | 82.3 Ų | 82.3 | 81% | 0.81 | 44% | 0.435 | S | S | * | . | trans | -87.3 | 0 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | D250 | D250-A253 PolarHBondContact O-N 3.48Š|
Retrieved 253 of 253 residues in 315 ms
(Link to these results)