| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 43.7 | Very low | 52.4 | Low | 244 Ų | 244 | 148.8 Ų | 148.8 | 100% | 1.202 | 83% | 0.826 | S | S | * | * | 0 | 120 | 0 | -65.5 | 177.3 | -158.4 | 0 | 0 | 108.5 | |||||
| 2 | R | 42.7 | Very low | 53.1 | Low | 222 Ų | 222 | 151.2 Ų | 151.2 | 84% | 0.838 | 83% | 0.83 | S | S | * | * | trans | 32.1 | 111.7 | 145.7 | -96.2 | 172.8 | 77.2 | 175.5 | 1.9 | 118.8 | ||||
| 3 | N | 49.4 | Very low | 53.4 | Low | 131 Ų | 131 | 150.3 Ų | 150.3 | 70% | 0.701 | 82% | 0.823 | S | S | * | * | 170 | 122.6 | 85.7 | -86.7 | -23.1 | 0 | 0 | 0 | 109.5 | |||||
| 4 | H | 53.1 | Low | 53.6 | Low | 184 Ų | 184 | 146 Ų | 146 | 85% | 0.852 | 81% | 0.809 | S | S | * | * | trans | -72.6 | 135 | 169.7 | -76 | -87.4 | 0 | 0 | 0 | 110.3 | ||||
| 5 | V | 52.6 | Low | 53.6 | Low | 141 Ų | 141 | 146.1 Ų | 146.1 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | trans | -78.4 | 115.9 | 161.8 | 177.2 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 6 | L | 58.1 | Low | 53.7 | Low | 166 Ų | 166 | 145.8 Ų | 145.8 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | trans | -111.3 | 113.7 | 169.6 | -82.5 | 168.3 | 0 | 0 | 0 | 109.2 | ||||
| 7 | A | 58.4 | Low | 53.7 | Low | 92 Ų | 92 | 142.5 Ų | 142.5 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | trans | -66.7 | 156.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 8 | A | 52.8 | Low | 53.8 | Low | 104 Ų | 104 | 143 Ų | 143 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -58.5 | 135.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 9 | S | 55.6 | Low | 54.1 | Low | 113 Ų | 113 | 143.8 Ų | 143.8 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | trans | -144.4 | 83.6 | 156.6 | 63.9 | 0 | 0 | 0 | 0 | 108.6 | S11 | S9-S11 PolarHBondContact O-N 3.48Š| ||
| 10 | I | 57.3 | Low | 53.8 | Low | 169 Ų | 169 | 140 Ų | 140 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | trans | -91.1 | 103.8 | 167.4 | -65.8 | 172.9 | 0 | 0 | 0 | 107.5 | ||||
| 11 | S | 52.5 | Low | 53.7 | Low | 71 Ų | 71 | 141 Ų | 141 | 50% | 0.497 | 79% | 0.794 | S | S | . | * | trans | -11.6 | 114.8 | 165.1 | -155 | 0 | 0 | 0 | 0 | 117.5 | S9 L13 | S9-S11 PolarHBondContact O-N 3.48Å; S11-L13 PolarHBondContact O-N 3.26Å; S11-L13 WeakPolarHBondContact OG-CD1 3.48Å | ||
| 12 | M | 61.7 | Low | 54.1 | Low | 177 Ų | 177 | 135.6 Ų | 135.6 | 87% | 0.872 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -72.6 | 7.5 | 165 | -77.7 | -74.9 | -74.9 | 0 | 0 | 113.6 | ||
| 13 | L | 57 | Low | 54.5 | Low | 140 Ų | 140 | 130.7 Ų | 130.7 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | G | 310 helix | trans | -83 | -7 | -175.2 | -82.8 | 100.4 | 0 | 0 | 0 | 115.4 | S11 | S11-L13 PolarHBondContact O-N 3.26Å; S11-L13 WeakPolarHBondContact OG-CD1 3.48Å |
| 14 | S | 56.1 | Low | 54.8 | Low | 90 Ų | 90 | 129.9 Ų | 129.9 | 63% | 0.629 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -85.1 | -9.2 | -173.9 | -51.4 | 0 | 0 | 0 | 0 | 115.1 | ||
| 15 | L | 53.2 | Low | 54.8 | Low | 148 Ų | 148 | 130 Ų | 130 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -88.6 | -14.8 | -177.3 | -104.3 | 84.6 | 0 | 0 | 0 | 115.1 | ||
| 16 | L | 54.8 | Low | 54.8 | Low | 141 Ų | 141 | 126.9 Ų | 126.9 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -83.7 | -11.4 | -177.9 | -82.8 | 156.5 | 0 | 0 | 0 | 113.9 | I18 | L16-I18 VanDerWaalsContact C-N 3.33Å; L16-I18 PolarHBondContact O-N 3.4Å |
| 17 | A | 53.4 | Low | 54.5 | Low | 90 Ų | 90 | 123.9 Ų | 123.9 | 74% | 0.744 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -81.8 | -3.4 | -176 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 18 | I | 57 | Low | 54.3 | Low | 151 Ų | 151 | 122.6 Ų | 122.6 | 77% | 0.774 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -103.9 | -4 | -172.7 | -53.6 | -179.9 | 0 | 0 | 0 | 113 | L16 | L16-I18 VanDerWaalsContact C-N 3.33Å; L16-I18 PolarHBondContact O-N 3.4Å |
| 19 | M | 58.3 | Low | 54.4 | Low | 159 Ų | 159 | 120.9 Ų | 120.9 | 78% | 0.783 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -104.9 | 21.2 | -175.8 | -60.1 | -164.8 | -59.5 | 0 | 0 | 114.8 | ||
| 20 | G | 48.3 | Very low | 54.4 | Low | 66 Ų | 66 | 122.7 Ų | 122.7 | 68% | 0.68 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -94.3 | -21.6 | -163.6 | 0 | 0 | 0 | 0 | 0 | 119 | ||
| 21 | D | 51.8 | Low | 54.4 | Low | 162 Ų | 162 | 120.1 Ų | 120.1 | 87% | 0.866 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -149.2 | 33.1 | -153.8 | -116 | -18.6 | 0 | 0 | 0 | 117.9 | ||
| 22 | T | 51.3 | Low | 54.6 | Low | 130 Ų | 130 | 123.3 Ų | 123.3 | 80% | 0.798 | 69% | 0.692 | S | S | * | * | trans | -146.7 | 94.2 | 172.8 | 52.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 23 | D | 51.8 | Low | 54.5 | Low | 119 Ų | 119 | 118.7 Ų | 118.7 | 64% | 0.636 | 67% | 0.671 | S | S | * | * | trans | -176.5 | 4 | 142.2 | -107.2 | -22.4 | 0 | 0 | 0 | 118.2 | K25 | D23-K25 PolarHBondContact O-N 3.22Š| ||
| 24 | S | 55.2 | Low | 55.1 | Low | 114 Ų | 114 | 115 Ų | 115 | 80% | 0.797 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -9.4 | -172.3 | -42.2 | 0 | 0 | 0 | 0 | 116.6 | ||
| 25 | K | 53.7 | Low | 56.7 | Low | 187 Ų | 187 | 115.5 Ų | 115.5 | 81% | 0.813 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | -23.3 | -177.1 | -78.1 | -177.2 | 178.3 | 171.4 | 0 | 114.2 | D23 S28 | D23-K25 PolarHBondContact O-N 3.22Å; K25-S28 PolarHBondContact O-OG 3.49Å |
| 26 | T | 53 | Low | 58.7 | Low | 75 Ų | 75 | 115.1 Ų | 115.1 | 46% | 0.46 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -79.2 | -34.3 | -178 | -30.4 | 0 | 0 | 0 | 0 | 110.8 | S28 S29 F30 | T26-S28 VanDerWaalsContact C-N 3.34Å; T26-S28 PolarHBondContact O-N 2.88Å; T26-S29 PolarHBondContact O-N 2.04Å; T26-S29 PolarHBondContact O-OG 2.78Å; T26-F30 HydrophobicContact CG2-CE2 4.43Å; T26-F30 WeakPolarHBondContact O-CD2 3.5Å |
| 27 | D | 51.3 | Low | 60.7 | Low | 103 Ų | 103 | 109.5 Ų | 109.5 | 55% | 0.551 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.6 | -32.9 | 178 | -78.5 | -22.3 | 0 | 0 | 0 | 113.2 | S29 F30 L31 | D27-S29 VanDerWaalsContact C-N 3.34Å; D27-S29 PolarHBondContact O-N 3.38Å; D27-F30 PolarHBondContact O-N 3.39Å; D27-L31 VanDerWaalsContact O-CG 3.28Å; D27-L31 WeakPolarHBondContact O-CG 3.4Å; D27-L31 PolarHBondContact O-N 2.91Å |
| 28 | S | 54.4 | Low | 62.8 | Low | 65 Ų | 65 | 108.5 Ų | 108.5 | 46% | 0.455 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -67.3 | -34.1 | -177.6 | 72.1 | 0 | 0 | 0 | 0 | 112.7 | K25 T26 L31 M32 | K25-S28 PolarHBondContact O-OG 3.49Å; T26-S28 VanDerWaalsContact C-N 3.34Å; T26-S28 PolarHBondContact O-N 2.88Å; S28-L31 PolarHBondContact O-N 3.24Å; S28-M32 WeakPolarHBondContact O-CB 3.46Å; S28-M32 WeakPolarHBondContact O-CG 3.42Å; S28-M32 PolarHBondContact O-N 3.37Å |
| 29 | S | 55.8 | Low | 64.7 | Low | 69 Ų | 69 | 105.1 Ų | 105.1 | 48% | 0.483 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -70.1 | -36.1 | 179.7 | 55.6 | 0 | 0 | 0 | 0 | 112.4 | T26 D27 D33 | T26-S29 PolarHBondContact O-N 2.04Å; T26-S29 PolarHBondContact O-OG 2.78Å; D27-S29 VanDerWaalsContact C-N 3.34Å; D27-S29 PolarHBondContact O-N 3.38Å; S29-D33 PolarHBondContact O-N 2.9Å; S29-D33 VanDerWaalsContact O-N 3.14Å |
| 30 | F | 54.5 | Low | 66.6 | Low | 151 Ų | 151 | 99.8 Ų | 99.8 | 66% | 0.662 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -71.8 | -37.7 | 175.5 | -76.5 | -78.3 | 0 | 0 | 0 | 112.1 | T26 D27 D33 S34 | T26-F30 HydrophobicContact CG2-CE2 4.43Å; T26-F30 WeakPolarHBondContact O-CD2 3.5Å; D27-F30 PolarHBondContact O-N 3.39Å; F30-D33 PolarHBondContact O-N 2.81Å; F30-S34 PolarHBondContact O-N 2.77Å |
| 31 | L | 58.2 | Low | 68.9 | Low | 114 Ų | 114 | 101.3 Ų | 101.3 | 60% | 0.597 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -67.2 | -36.1 | 175.8 | -69.8 | 171 | 0 | 0 | 0 | 112.4 | D27 S28 S34 | D27-L31 VanDerWaalsContact O-CG 3.28Å; D27-L31 WeakPolarHBondContact O-CG 3.4Å; D27-L31 PolarHBondContact O-N 2.91Å; S28-L31 PolarHBondContact O-N 3.24Å; L31-S34 PolarHBondContact O-N 3.19Å |
| 32 | M | 56.4 | Low | 71.2 | Confident | 139 Ų | 139 | 97.7 Ų | 97.7 | 69% | 0.685 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -70 | -41.1 | 176.6 | -72 | -72.5 | 105.7 | 0 | 0 | 112.2 | S28 S34 Q35 | S28-M32 WeakPolarHBondContact O-CB 3.46Å; S28-M32 WeakPolarHBondContact O-CG 3.42Å; S28-M32 PolarHBondContact O-N 3.37Å; M32-S34 PolarHBondContact O-N 3.01Å; M32-Q35 PolarHBondContact O-N 3.42Å |
| 33 | D | 59.8 | Low | 73.4 | Confident | 80 Ų | 80 | 95.6 Ų | 95.6 | 43% | 0.428 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.3 | -23.4 | 177.8 | -159.8 | 42.7 | 0 | 0 | 0 | 112.4 | S29 F30 Q35 R36 | S29-D33 PolarHBondContact O-N 2.9Å; S29-D33 VanDerWaalsContact O-N 3.14Å; F30-D33 PolarHBondContact O-N 2.81Å; D33-Q35 VanDerWaalsContact C-N 3.26Å; D33-Q35 PolarHBondContact O-N 2.85Å; D33-R36 WeakPolarHBondContact O-CG 3.12Å; D33-R36 WeakPolarHBondContact OD1-CD 3.37Å; D33-R36 IonicContact OD1-CZ 3.64Å; D33-R36 IonicContact OD1-NE 3.23Å; D33-R36 PolarHBondContact OD1-NE 3.03Å; D33-R36 IonicContact OD1-NH1 3.72Å; D33-R36 IonicContact OD1-NH2 3.68Å; D33-R36 PolarHBondContact OD1-NH2 3.05Å; D33-R36 VanDerWaalsContact OD1-NH2 3.12Å; D33-R36 IonicContact OD2-CZ 3.12Å; D33-R36 IonicContact OD2-NE 2.85Å; D33-R36 IonicContact OD2-NH2 3.8Å; D33-R36 PolarHBondContact OD2-NH2 2.77Å |
| 34 | S | 69.7 | Low | 75.6 | Confident | 62 Ų | 62 | 93.7 Ų | 93.7 | 43% | 0.434 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -12 | 177.2 | -169.3 | 0 | 0 | 0 | 0 | 114.2 | F30 L31 M32 | F30-S34 PolarHBondContact O-N 2.77Å; L31-S34 PolarHBondContact O-N 3.19Å; M32-S34 PolarHBondContact O-N 3.01Å |
| 35 | Q | 88.9 | Confident | 77.6 | Confident | 101 Ų | 101 | 90.5 Ų | 90.5 | 47% | 0.472 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -9.5 | -177.5 | -66.7 | -60.8 | -32.9 | 0 | 0 | 113.5 | M32 D33 G65 H66 | M32-Q35 PolarHBondContact O-N 3.42Å; D33-Q35 VanDerWaalsContact C-N 3.26Å; D33-Q35 PolarHBondContact O-N 2.85Å; Q35-G65 CarbonylContact O-C 3.53Å; Q35-G65 WeakPolarHBondContact O-CA 3.3Å; Q35-H66 WeakPolarHBondContact O-CB 3.09Å; Q35-H66 PolarHBondContact O-N 3.05Å; Q35-H66 PolarHBondContact O-ND1 3.29Å; Q35-H66 VanDerWaalsContact O-ND1 3.14Å; Q35-H66 PolarHBondContact OE1-CE1 3.43Å; Q35-H66 PolarHBondContact OE1-ND1 3.05Å |
| 36 | R | 94.9 | Very high | 79.7 | Confident | 139 Ų | 139 | 83.1 Ų | 83.1 | 53% | 0.525 | 43% | 0.428 | S | S | . | . | B | Isolated β-bridge | trans | -73.6 | 156.7 | 177.9 | 75 | -173.2 | 165.3 | 161 | -18 | 111.4 | D33 M38 H66 | D33-R36 WeakPolarHBondContact O-CG 3.12Å; D33-R36 WeakPolarHBondContact OD1-CD 3.37Å; D33-R36 IonicContact OD1-CZ 3.64Å; D33-R36 IonicContact OD1-NE 3.23Å; D33-R36 PolarHBondContact OD1-NE 3.03Å; D33-R36 IonicContact OD1-NH1 3.72Å; D33-R36 IonicContact OD1-NH2 3.68Å; D33-R36 PolarHBondContact OD1-NH2 3.05Å; D33-R36 VanDerWaalsContact OD1-NH2 3.12Å; D33-R36 IonicContact OD2-CZ 3.12Å; D33-R36 IonicContact OD2-NE 2.85Å; D33-R36 IonicContact OD2-NH2 3.8Å; D33-R36 PolarHBondContact OD2-NH2 2.77Å; R36-M38 PolarHBondContact O-N 3.38Å; R36-H66 CarbonylContact C-O 3.54Å; R36-H66 WeakPolarHBondContact CA-O 3.46Å |
| 37 | C | 97.2 | Very high | 81.8 | Confident | 23 Ų | 23 | 82.7 Ų | 82.7 | 16% | 0.155 | 43% | 0.429 | C | S | . | . | S | Bend | trans | -53.9 | 114.1 | 171.9 | 178 | 0 | 0 | 0 | 0 | 111.7 | E64 H66 C94 C126 | C37-E64 WeakPolarHBondContact CA-O 3.5Å; C37-H66 PolarHBondContact N-O 3Å; C37-C94 WeakPolarHBondContact CA-SG 3.39Å; C37-C94 HydrophobicContact CB-CB 3.65Å; C37-C94 WeakPolarHBondContact CB-SG 3.27Å; C37-C94 WeakPolarHBondContact SG-CA 3.4Å; C37-C94 WeakPolarHBondContact SG-CB 3.46Å; C37-C94 CovalentContact SG-SG 2.03Å; C37-C94 PolarHBondContact SG-SG 2.88Å; C37-C126 VanDerWaalsContact CB-SG 3.55Å |
| 38 | M | 96.6 | Very high | 83.9 | Confident | 70 Ų | 70 | 80.5 Ų | 80.5 | 35% | 0.345 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 171.4 | -178.7 | 68.8 | -177.3 | -72 | 0 | 0 | 112.6 | R36 H40 C63 E64 | R36-M38 PolarHBondContact O-N 3.38Å; M38-H40 WeakPolarHBondContact CG-NE2 3.47Å; M38-C63 WeakPolarHBondContact O-CA 3.36Å; M38-E64 PolarHBondContact N-O 3.33Å; M38-E64 PolarHBondContact O-N 3.44Å; M38-E64 VanDerWaalsContact O-N 3.1Å |
| 39 | R | 98 | Very high | 86 | Confident | 80 Ų | 80 | 83 Ų | 83 | 30% | 0.302 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 121 | -178.3 | -172 | 173.7 | 72.2 | 96.5 | 7.1 | 110.5 | H41 A61 I121 L122 | R39-H41 PolarHBondContact NH1-CE1 3.1Å; R39-H41 PolarHBondContact NH1-NE2 2.73Å; R39-H41 PolarHBondContact NH2-CE1 2.8Å; R39-H41 PolarHBondContact NH2-NE2 2.64Å; R39-A61 HydrophobicContact CG-CB 4.09Å; R39-I121 WeakPolarHBondContact CD-O 3.37Å; R39-I121 HydrophobicContact CG-CG2 4.44Å; R39-I121 PolarHBondContact NH1-O 3.38Å; R39-L122 VanDerWaalsContact CD-O 3.25Å; R39-L122 WeakPolarHBondContact CD-O 3.26Å; R39-L122 PolarHBondContact NE-O 3.47Å |
| 40 | H | 97.2 | Very high | 87.9 | Confident | 47 Ų | 47 | 86.9 Ų | 86.9 | 22% | 0.218 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 136.9 | 176.6 | -61.8 | -99.1 | 0 | 0 | 0 | 110.8 | M38 A61 R62 | M38-H40 WeakPolarHBondContact CG-NE2 3.47Å; H40-A61 CarbonylContact O-C 3.52Å; H40-A61 VanDerWaalsContact O-CA 3.24Å; H40-A61 WeakPolarHBondContact O-CA 3.4Å; H40-R62 HydrophobicContact CB-CG 4.19Å; H40-R62 PolarHBondContact N-O 3Å; H40-R62 PolarHBondContact O-N 3.03Å |
| 41 | H | 98.2 | Very high | 89.8 | Confident | 97 Ų | 97 | 85.6 Ų | 85.6 | 45% | 0.449 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 144.3 | 172.6 | -64.1 | 94.1 | 0 | 0 | 0 | 110.5 | R39 L59 L60 Y120 | R39-H41 PolarHBondContact NH1-CE1 3.1Å; R39-H41 PolarHBondContact NH1-NE2 2.73Å; R39-H41 PolarHBondContact NH2-CE1 2.8Å; R39-H41 PolarHBondContact NH2-NE2 2.64Å; H41-L59 HydrophobicContact CB-CD1 4.18Å; H41-L60 WeakPolarHBondContact CA-O 3.16Å; H41-Y120 PolarHBondContact CD2-OH 3.34Å; H41-Y120 PolarHBondContact NE2-OH 3.46Å |
| 42 | Y | 98.6 | Very high | 91.6 | Very high | 86 Ų | 86 | 88.5 Ų | 88.5 | 34% | 0.337 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 159.1 | 172.8 | 69.1 | -74.9 | 0 | 0 | 0 | 109.9 | D44 L60 R62 | Y42-D44 HydrophobicContact CD2-CB 4.14Å; Y42-D44 HydrophobicContact CE2-CB 3.84Å; Y42-L60 HydrophobicContact CD1-CB 4.06Å; Y42-L60 HydrophobicContact CD2-CB 4.42Å; Y42-L60 HydrophobicContact CE1-CB 3.53Å; Y42-L60 HydrophobicContact CE2-CB 3.96Å; Y42-L60 HydrophobicContact CE2-CD1 3.81Å; Y42-L60 HydrophobicContact CE2-CG 4.48Å; Y42-L60 HydrophobicContact CG-CB 4.47Å; Y42-L60 VanDerWaalsContact CZ-CB 3.49Å; Y42-L60 PolarHBondContact N-O 2.81Å; Y42-L60 PolarHBondContact O-N 3.47Å; Y42-L60 VanDerWaalsContact O-O 3.12Å; Y42-L60 WeakPolarHBondContact OH-CD1 3.2Å; Y42-R62 HydrophobicContact CD1-CB 4.33Å; Y42-R62 HydrophobicContact CD1-CG 3.87Å; Y42-R62 HydrophobicContact CE1-CB 3.8Å; Y42-R62 HydrophobicContact CE1-CG 3.83Å |
| 43 | V | 98.2 | Very high | 93.5 | Very high | 86 Ų | 86 | 82.9 Ų | 82.9 | 52% | 0.521 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 134.3 | 175 | -177.9 | 0 | 0 | 0 | 0 | 108.4 | M57 V58 L59 | V43-M57 HydrophobicContact CG1-CB 4.13Å; V43-M57 HydrophobicContact CG1-CE 3.67Å; V43-V58 WeakPolarHBondContact CA-O 3.45Å; V43-L59 HydrophobicContact CG2-CD1 3.99Å |
| 44 | D | 98.1 | Very high | 95.3 | Very high | 79 Ų | 79 | 82.1 Ų | 82.1 | 42% | 0.422 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 157.6 | 178 | -164 | 11.6 | 0 | 0 | 0 | 111.8 | Y42 M57 V58 L60 | Y42-D44 HydrophobicContact CD2-CB 4.14Å; Y42-D44 HydrophobicContact CE2-CB 3.84Å; D44-M57 CarbonylContact O-C 3.5Å; D44-M57 WeakPolarHBondContact O-CA 3.45Å; D44-V58 PolarHBondContact N-O 3.43Å; D44-V58 PolarHBondContact O-N 2.86Å; D44-L60 HydrophobicContact CB-CD1 3.75Å |
| 45 | S | 97.7 | Very high | 96.6 | Very high | 47 Ų | 47 | 82.6 Ų | 82.6 | 33% | 0.329 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 107.7 | 179.5 | 177.8 | 0 | 0 | 0 | 0 | 110.7 | S47 S55 | S45-S47 PolarHBondContact O-N 2.88Å; S45-S55 WeakPolarHBondContact OG-CB 3.46Å |
| 46 | I | 97.3 | Very high | 97 | Very high | 32 Ų | 32 | 82.9 Ų | 82.9 | 16% | 0.164 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 116.5 | 172.3 | -58.3 | -174.7 | 0 | 0 | 0 | 108.9 | S55 K56 V58 L104 L106 A116 Y118 | I46-S55 WeakPolarHBondContact O-CA 3.24Å; I46-K56 PolarHBondContact N-O 3.26Å; I46-K56 PolarHBondContact O-N 3.5Å; I46-V58 HydrophobicContact CD1-CB 4.17Å; I46-V58 HydrophobicContact CD1-CG1 4.44Å; I46-V58 HydrophobicContact CD1-CG2 3.85Å; I46-V58 HydrophobicContact CG1-CB 4.43Å; I46-V58 HydrophobicContact CG1-CG2 4.14Å; I46-L104 HydrophobicContact CB-CD2 4.36Å; I46-L104 HydrophobicContact CD1-CD2 4.28Å; I46-L106 HydrophobicContact CG2-CD1 4.44Å; I46-A116 HydrophobicContact CG2-CB 4.11Å; I46-Y118 HydrophobicContact CD1-CD1 4.07Å; I46-Y118 HydrophobicContact CD1-CE1 4.2Å |
| 47 | S | 96.7 | Very high | 97.1 | Very high | 67 Ų | 67 | 82.2 Ų | 82.2 | 47% | 0.469 | 43% | 0.426 | S | S | . | . | trans | -126.3 | 155.4 | 174.2 | 64.4 | 0 | 0 | 0 | 0 | 110.5 | S45 | S45-S47 PolarHBondContact O-N 2.88Š| ||
| 48 | H | 96.8 | Very high | 97.1 | Very high | 57 Ų | 57 | 81.9 Ų | 81.9 | 26% | 0.264 | 42% | 0.423 | S | S | . | . | trans | -85.6 | 130.2 | 174.9 | -169.6 | -67.3 | 0 | 0 | 0 | 109 | L50 Y51 C53 L106 L114 | H48-L50 VanDerWaalsContact C-N 3.33Å; H48-L50 PolarHBondContact ND1-N 3.5Å; H48-L50 PolarHBondContact O-N 2.9Å; H48-Y51 AromaticContact CD2-CD2 3.99Å; H48-Y51 AromaticContact CE1-CD2 3.2Å; H48-Y51 WeakPolarHBondContact CE1-CD2 3.37Å; H48-Y51 AromaticContact CE1-CE2 3.77Å; H48-Y51 AromaticContact ND1-CD2 3.53Å; H48-Y51 PolarHBondContact ND1-N 3.24Å; H48-Y51 AromaticContact NE2-CD2 3.47Å; H48-Y51 WeakPolarHBondContact NE2-CD2 3.46Å; H48-Y51 AromaticContact NE2-CE2 3.95Å; H48-C53 HydrophobicContact CB-CB 4.17Å; H48-L106 HydrophobicContact CB-CD1 4.41Å; H48-L114 VanDerWaalsContact CD2-CD1 3.45Å; H48-L114 WeakPolarHBondContact CD2-CD1 3.36Å | ||
| 49 | P | 96.8 | Very high | 97.2 | Very high | 117 Ų | 117 | 82.8 Ų | 82.8 | 76% | 0.76 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -68.2 | -28.8 | -172.5 | 24.5 | -34.8 | 0 | 0 | 0 | 114.3 | ||
| 50 | L | 96 | Very high | 97.2 | Very high | 151 Ų | 151 | 79.9 Ų | 79.9 | 79% | 0.791 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -107.7 | -53.2 | -177.7 | -57.6 | 174.2 | 0 | 0 | 0 | 114.1 | H48 | H48-L50 VanDerWaalsContact C-N 3.33Å; H48-L50 PolarHBondContact ND1-N 3.5Å; H48-L50 PolarHBondContact O-N 2.9Å |
| 51 | Y | 95.3 | Very high | 97.3 | Very high | 124 Ų | 124 | 78 Ų | 78 | 49% | 0.486 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -77.7 | 141.1 | -178.8 | -59.9 | -70.5 | 0 | 0 | 0 | 113.1 | H48 C53 M112 L114 | H48-Y51 AromaticContact CD2-CD2 3.99Å; H48-Y51 AromaticContact CE1-CD2 3.2Å; H48-Y51 WeakPolarHBondContact CE1-CD2 3.37Å; H48-Y51 AromaticContact CE1-CE2 3.77Å; H48-Y51 AromaticContact ND1-CD2 3.53Å; H48-Y51 PolarHBondContact ND1-N 3.24Å; H48-Y51 AromaticContact NE2-CD2 3.47Å; H48-Y51 WeakPolarHBondContact NE2-CD2 3.46Å; H48-Y51 AromaticContact NE2-CE2 3.95Å; Y51-C53 PolarHBondContact O-N 3.41Å; Y51-M112 HydrophobicContact CD1-CE 3.9Å; Y51-M112 HydrophobicContact CD2-CE 4.31Å; Y51-M112 HydrophobicContact CE1-CE 4.26Å; Y51-M112 HydrophobicContact CG-CE 3.94Å; Y51-L114 HydrophobicContact CD2-CD1 3.53Å; Y51-L114 HydrophobicContact CE2-CD1 4.25Å; Y51-L114 HydrophobicContact CG-CD1 4.12Å |
| 52 | K | 95.6 | Very high | 97.3 | Very high | 175 Ų | 175 | 77.9 Ų | 77.9 | 76% | 0.761 | 41% | 0.408 | S | S | * | . | trans | -69.4 | 92.5 | 171.2 | -170.3 | 178 | -175.3 | 176.4 | 0 | 110 | C108 S109 | K52-C108 CarbonylContact O-C 3.59Å; K52-C108 WeakPolarHBondContact O-CA 3.38Å; K52-S109 PolarHBondContact O-N 2.99Å | ||
| 53 | C | 97.1 | Very high | 97.3 | Very high | 21 Ų | 21 | 75 Ų | 75 | 14% | 0.142 | 40% | 0.4 | C | S | . | . | B | Isolated β-bridge | trans | -116.4 | 155.2 | 177.7 | -52.4 | 0 | 0 | 0 | 0 | 111.9 | H48 Y51 S55 L106 R107 C108 | H48-C53 HydrophobicContact CB-CB 4.17Å; Y51-C53 PolarHBondContact O-N 3.41Å; C53-S55 PolarHBondContact O-N 3.31Å; C53-L106 HydrophobicContact CB-CB 4.22Å; C53-L106 HydrophobicContact CB-CD1 4.5Å; C53-R107 CarbonylContact C-O 3.56Å; C53-R107 VanDerWaalsContact CA-O 3.3Å; C53-R107 WeakPolarHBondContact CA-O 3.28Å; C53-C108 HydrophobicContact CB-CB 4Å; C53-C108 WeakPolarHBondContact CB-SG 3.17Å; C53-C108 WeakPolarHBondContact SG-CB 3.27Å; C53-C108 CovalentContact SG-SG 2.04Å; C53-C108 PolarHBondContact SG-SG 2.95Å |
| 54 | S | 96.4 | Very high | 97.3 | Very high | 63 Ų | 63 | 75.3 Ų | 75.3 | 44% | 0.441 | 40% | 0.395 | S | S | . | . | trans | -64.7 | 114.6 | 170 | 63.2 | 0 | 0 | 0 | 0 | 109.5 | R107 | S54-R107 PolarHBondContact N-O 3.49Å; S54-R107 PolarHBondContact OG-N 3.21Å; S54-R107 PolarHBondContact OG-O 3.44Å | ||
| 55 | S | 96.6 | Very high | 97.1 | Very high | 73 Ų | 73 | 72.8 Ų | 72.8 | 51% | 0.51 | 39% | 0.388 | S | S | . | . | trans | -62.3 | 147.3 | 172.2 | -53.6 | 0 | 0 | 0 | 0 | 110.7 | S45 I46 C53 | S45-S55 WeakPolarHBondContact OG-CB 3.46Å; I46-S55 WeakPolarHBondContact O-CA 3.24Å; C53-S55 PolarHBondContact O-N 3.31Å | ||
| 56 | K | 97.5 | Very high | 97.1 | Very high | 106 Ų | 106 | 76.5 Ų | 76.5 | 46% | 0.461 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 130 | 177.6 | -165.3 | -176.8 | -176.9 | 175.5 | 0 | 111.6 | I46 L104 L106 | I46-K56 PolarHBondContact N-O 3.26Å; I46-K56 PolarHBondContact O-N 3.5Å; K56-L104 HydrophobicContact CB-CD2 4.03Å; K56-L104 HydrophobicContact CD-CD1 3.31Å; K56-L104 HydrophobicContact CD-CD2 3.73Å; K56-L104 HydrophobicContact CD-CG 4.08Å; K56-L104 HydrophobicContact CG-CD2 4.37Å; K56-L106 HydrophobicContact CB-CD2 4.22Å |
| 57 | M | 97.8 | Very high | 97 | Very high | 125 Ų | 125 | 76.2 Ų | 76.2 | 62% | 0.616 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72 | 131.7 | 172.1 | -60.7 | -59.5 | -81.6 | 0 | 0 | 110.7 | V43 D44 | V43-M57 HydrophobicContact CG1-CB 4.13Å; V43-M57 HydrophobicContact CG1-CE 3.67Å; D44-M57 CarbonylContact O-C 3.5Å; D44-M57 WeakPolarHBondContact O-CA 3.45Å |
| 58 | V | 97.8 | Very high | 96.9 | Very high | 16 Ų | 16 | 78.6 Ų | 78.6 | 10% | 0.097 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 135 | -177.1 | 179.4 | 0 | 0 | 0 | 0 | 110 | V43 D44 I46 L60 L104 Y118 | V43-V58 WeakPolarHBondContact CA-O 3.45Å; D44-V58 PolarHBondContact N-O 3.43Å; D44-V58 PolarHBondContact O-N 2.86Å; I46-V58 HydrophobicContact CD1-CB 4.17Å; I46-V58 HydrophobicContact CD1-CG1 4.44Å; I46-V58 HydrophobicContact CD1-CG2 3.85Å; I46-V58 HydrophobicContact CG1-CB 4.43Å; I46-V58 HydrophobicContact CG1-CG2 4.14Å; V58-L60 HydrophobicContact CG1-CD2 3.95Å; V58-L60 HydrophobicContact CG1-CG 4.39Å; V58-L60 PolarHBondContact O-N 3.19Å; V58-L104 HydrophobicContact CG2-CD2 3.82Å; V58-Y118 HydrophobicContact CG1-CE1 4.27Å; V58-Y118 HydrophobicContact CG1-CE2 4.36Å; V58-Y118 VanDerWaalsContact CG1-OH 3.27Å; V58-Y118 WeakPolarHBondContact CG1-OH 3.19Å |
| 59 | L | 98 | Very high | 96.7 | Very high | 89 Ų | 89 | 79.8 Ų | 79.8 | 47% | 0.466 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 119.1 | 168.2 | -176.9 | 70.1 | 0 | 0 | 0 | 109.7 | H41 V43 Y120 | H41-L59 HydrophobicContact CB-CD1 4.18Å; V43-L59 HydrophobicContact CG2-CD1 3.99Å; L59-Y120 WeakPolarHBondContact O-CE2 3.29Å |
| 60 | L | 98.5 | Very high | 96.6 | Very high | 19 Ų | 19 | 78.4 Ų | 78.4 | 10% | 0.099 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 169.6 | 177 | -62.4 | 177.6 | 0 | 0 | 0 | 110.2 | H41 Y42 D44 V58 Y118 | H41-L60 WeakPolarHBondContact CA-O 3.16Å; Y42-L60 HydrophobicContact CD1-CB 4.06Å; Y42-L60 HydrophobicContact CD2-CB 4.42Å; Y42-L60 HydrophobicContact CE1-CB 3.53Å; Y42-L60 HydrophobicContact CE2-CB 3.96Å; Y42-L60 HydrophobicContact CE2-CD1 3.81Å; Y42-L60 HydrophobicContact CE2-CG 4.48Å; Y42-L60 HydrophobicContact CG-CB 4.47Å; Y42-L60 VanDerWaalsContact CZ-CB 3.49Å; Y42-L60 PolarHBondContact N-O 2.81Å; Y42-L60 PolarHBondContact O-N 3.47Å; Y42-L60 VanDerWaalsContact O-O 3.12Å; Y42-L60 WeakPolarHBondContact OH-CD1 3.2Å; D44-L60 HydrophobicContact CB-CD1 3.75Å; V58-L60 HydrophobicContact CG1-CD2 3.95Å; V58-L60 HydrophobicContact CG1-CG 4.39Å; V58-L60 PolarHBondContact O-N 3.19Å; L60-Y118 HydrophobicContact CD2-CD2 3.58Å; L60-Y118 HydrophobicContact CD2-CE2 3.46Å; L60-Y118 VanDerWaalsContact CD2-CE2 3.46Å; L60-Y118 HydrophobicContact CD2-CG 4.37Å |
| 61 | A | 98.5 | Very high | 96.6 | Very high | 8 Ų | 8 | 75.4 Ų | 75.4 | 7% | 0.066 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 149.3 | 172 | 0 | 0 | 0 | 0 | 0 | 109 | R39 H40 Y120 I121 | R39-A61 HydrophobicContact CG-CB 4.09Å; H40-A61 CarbonylContact O-C 3.52Å; H40-A61 VanDerWaalsContact O-CA 3.24Å; H40-A61 WeakPolarHBondContact O-CA 3.4Å; A61-Y120 HydrophobicContact CB-CE2 4.33Å; A61-I121 HydrophobicContact CB-CB 4.06Å; A61-I121 WeakPolarHBondContact O-CD1 3.49Å |
| 62 | R | 98.3 | Very high | 96.7 | Very high | 95 Ų | 95 | 76.5 Ų | 76.5 | 36% | 0.358 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 155.6 | 175.7 | 60.3 | -169.4 | -173.1 | 80.4 | 10 | 110.3 | H40 Y42 E64 | H40-R62 HydrophobicContact CB-CG 4.19Å; H40-R62 PolarHBondContact N-O 3Å; H40-R62 PolarHBondContact O-N 3.03Å; Y42-R62 HydrophobicContact CD1-CB 4.33Å; Y42-R62 HydrophobicContact CD1-CG 3.87Å; Y42-R62 HydrophobicContact CE1-CB 3.8Å; Y42-R62 HydrophobicContact CE1-CG 3.83Å; R62-E64 IonicContact CZ-OE2 2.8Å; R62-E64 IonicContact NH1-OE1 3.11Å; R62-E64 PolarHBondContact NH1-OE1 3.49Å; R62-E64 IonicContact NH1-OE2 3.02Å; R62-E64 PolarHBondContact NH1-OE2 2.8Å; R62-E64 IonicContact NH2-OE2 3.66Å; R62-E64 PolarHBondContact NH2-OE2 3.38Å |
| 63 | C | 98.1 | Very high | 96.7 | Very high | 25 Ų | 25 | 71.7 Ų | 71.7 | 17% | 0.169 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 130.2 | 172.4 | -59.9 | 0 | 0 | 0 | 0 | 109 | M38 R95 C124 | M38-C63 WeakPolarHBondContact O-CA 3.36Å; C63-R95 VanDerWaalsContact SG-C 3.58Å; C63-C124 WeakPolarHBondContact CA-SG 3.29Å; C63-C124 HydrophobicContact CB-CB 3.69Å; C63-C124 WeakPolarHBondContact CB-SG 3.41Å; C63-C124 WeakPolarHBondContact SG-CB 3.39Å; C63-C124 CovalentContact SG-SG 2.03Å; C63-C124 PolarHBondContact SG-SG 3.47Å |
| 64 | E | 97.5 | Very high | 96.6 | Very high | 92 Ų | 92 | 75 Ų | 75 | 43% | 0.43 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 152.5 | 177.9 | 178.2 | 170.6 | -130.2 | 0 | 0 | 109.6 | C37 M38 R62 | C37-E64 WeakPolarHBondContact CA-O 3.5Å; M38-E64 PolarHBondContact N-O 3.33Å; M38-E64 PolarHBondContact O-N 3.44Å; M38-E64 VanDerWaalsContact O-N 3.1Å; R62-E64 IonicContact CZ-OE2 2.8Å; R62-E64 IonicContact NH1-OE1 3.11Å; R62-E64 PolarHBondContact NH1-OE1 3.49Å; R62-E64 IonicContact NH1-OE2 3.02Å; R62-E64 PolarHBondContact NH1-OE2 2.8Å; R62-E64 IonicContact NH2-OE2 3.66Å; R62-E64 PolarHBondContact NH2-OE2 3.38Å |
| 65 | G | 95.8 | Very high | 96.4 | Very high | 26 Ų | 26 | 76.8 Ų | 76.8 | 27% | 0.268 | 43% | 0.428 | S | S | . | . | S | Bend | trans | 125.8 | 177.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q35 | Q35-G65 CarbonylContact O-C 3.53Å; Q35-G65 WeakPolarHBondContact O-CA 3.3Å |
| 66 | H | 96.2 | Very high | 96.2 | Very high | 126 Ų | 126 | 77.4 Ų | 77.4 | 58% | 0.583 | 43% | 0.425 | S | S | * | . | B | Isolated β-bridge | trans | -96 | 137.8 | -176.4 | -59.3 | 84.8 | 0 | 0 | 0 | 110.5 | Q35 R36 C37 | Q35-H66 WeakPolarHBondContact O-CB 3.09Å; Q35-H66 PolarHBondContact O-N 3.05Å; Q35-H66 PolarHBondContact O-ND1 3.29Å; Q35-H66 VanDerWaalsContact O-ND1 3.14Å; Q35-H66 PolarHBondContact OE1-CE1 3.43Å; Q35-H66 PolarHBondContact OE1-ND1 3.05Å; R36-H66 CarbonylContact C-O 3.54Å; R36-H66 WeakPolarHBondContact CA-O 3.46Å; C37-H66 PolarHBondContact N-O 3Å |
| 67 | C | 96.1 | Very high | 95.8 | Very high | 26 Ų | 26 | 78.3 Ų | 78.3 | 18% | 0.176 | 44% | 0.439 | C | S | . | . | trans | -81.4 | 145.5 | 168.9 | -67 | 0 | 0 | 0 | 0 | 110 | Q69 H92 C126 | C67-Q69 VanDerWaalsContact C-N 3.26Å; C67-Q69 PolarHBondContact O-N 3.14Å; C67-H92 HydrophobicContact CB-CB 3.75Å; C67-C126 WeakPolarHBondContact CA-SG 3.35Å; C67-C126 HydrophobicContact CB-CB 3.79Å; C67-C126 WeakPolarHBondContact CB-SG 3.01Å; C67-C126 WeakPolarHBondContact SG-CB 3.5Å; C67-C126 CovalentContact SG-SG 2.03Å; C67-C126 PolarHBondContact SG-SG 2.73Å | ||
| 68 | S | 94.3 | Very high | 95.3 | Very high | 117 Ų | 117 | 75 Ų | 75 | 82% | 0.818 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -71.6 | -23.6 | -179.6 | 52.4 | 0 | 0 | 0 | 0 | 112.6 | ||
| 69 | Q | 93.7 | Very high | 94.8 | Very high | 82 Ų | 82 | 83.9 Ų | 83.9 | 38% | 0.383 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -77.4 | 120.9 | 177.3 | -57.1 | 89.3 | -23.1 | 0 | 0 | 110.9 | C67 H92 | C67-Q69 VanDerWaalsContact C-N 3.26Å; C67-Q69 PolarHBondContact O-N 3.14Å; Q69-H92 HydrophobicContact CB-CB 4.26Å |
| 70 | A | 94.5 | Very high | 94.3 | Very high | 88 Ų | 88 | 83.1 Ų | 83.1 | 73% | 0.727 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 138.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 71 | S | 95.9 | Very high | 93.6 | Very high | 87 Ų | 87 | 89.2 Ų | 89.2 | 61% | 0.608 | 51% | 0.507 | S | S | * | . | P | Polyproline II helix | trans | -73.1 | 138.4 | 170.2 | 56.9 | 0 | 0 | 0 | 0 | 110.7 | S90 | S71-S90 CarbonylContact C-O 3.52Å; S71-S90 VanDerWaalsContact CA-O 3.29Å; S71-S90 WeakPolarHBondContact CA-O 3.45Å |
| 72 | R | 95.9 | Very high | 92.7 | Very high | 147 Ų | 147 | 93 Ų | 93 | 56% | 0.555 | 53% | 0.528 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 154.2 | 178.9 | 57.7 | 176.1 | 172.8 | 173.3 | -6.2 | 111.7 | E74 S89 S90 | R72-E74 IonicContact NH1-OE1 3.53Å; R72-E74 PolarHBondContact NH1-OE1 3.24Å; R72-S89 CarbonylContact O-C 3.56Å; R72-S89 VanDerWaalsContact O-CA 3.24Å; R72-S89 WeakPolarHBondContact O-CA 3.33Å; R72-S90 PolarHBondContact N-O 3.4Å; R72-S90 PolarHBondContact O-N 3.38Å |
| 73 | S | 95.8 | Very high | 91.7 | Very high | 75 Ų | 75 | 93.2 Ų | 93.2 | 52% | 0.524 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 112.7 | 172.8 | -173.4 | 0 | 0 | 0 | 0 | 108.7 | F87 | S73-F87 WeakPolarHBondContact OG-CB 3.38Å |
| 74 | E | 94.7 | Very high | 90.8 | Very high | 91 Ų | 91 | 101.2 Ų | 101.2 | 43% | 0.425 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.9 | 138 | -177.1 | -67.7 | 167.1 | -161.9 | 0 | 0 | 109.4 | R72 F87 R88 | R72-E74 IonicContact NH1-OE1 3.53Å; R72-E74 PolarHBondContact NH1-OE1 3.24Å; E74-F87 CarbonylContact O-C 3.59Å; E74-F87 VanDerWaalsContact O-CA 3.26Å; E74-F87 WeakPolarHBondContact O-CA 3.41Å; E74-R88 PolarHBondContact N-O 3.34Å; E74-R88 PolarHBondContact O-N 3.14Å |
| 75 | P | 93.8 | Very high | 90.3 | Very high | 100 Ų | 100 | 102 Ų | 102 | 65% | 0.649 | 57% | 0.572 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -68.7 | 144.2 | 177.7 | 29.8 | -34.6 | 0 | 0 | 0 | 111.4 | F87 | P75-F87 HydrophobicContact CB-CD1 4.37Å; P75-F87 HydrophobicContact CB-CE1 4.37Å |
| 76 | L | 90.6 | Very high | 90 | Very high | 85 Ų | 85 | 103 Ų | 103 | 45% | 0.445 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -103 | 123.2 | 173 | -68.8 | 175.8 | 0 | 0 | 0 | 109.9 | P86 R88 | L76-P86 PolarHBondContact N-O 2.87Å; L76-R88 HydrophobicContact CD1-CB 4.21Å; L76-R88 HydrophobicContact CD2-CB 3.99Å; L76-R88 HydrophobicContact CG-CB 4.12Å |
| 77 | V | 89.2 | Confident | 89.8 | Confident | 125 Ų | 125 | 101.8 Ų | 101.8 | 76% | 0.758 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 120.5 | 172.9 | -178.3 | 0 | 0 | 0 | 0 | 108.6 | F79 | V77-F79 HydrophobicContact CG1-CE2 4.28Å; V77-F79 HydrophobicContact CG1-CZ 4.15Å |
| 78 | S | 88.5 | Confident | 89.6 | Confident | 57 Ų | 57 | 108.9 Ų | 108.9 | 40% | 0.399 | 59% | 0.59 | S | S | . | * | trans | -121.1 | 131 | 174.8 | -177.7 | 0 | 0 | 0 | 0 | 109.7 | S80 | S78-S80 VanDerWaalsContact C-N 3.34Å; S78-S80 WeakPolarHBondContact OG-CB 3.25Å; S78-S80 PolarHBondContact OG-N 2.84Å | ||
| 79 | F | 87.2 | Confident | 89.5 | Confident | 201 Ų | 201 | 106.1 Ų | 106.1 | 88% | 0.882 | 57% | 0.571 | S | S | * | * | trans | -91.1 | -2.1 | 170.8 | -59.4 | -79.9 | 0 | 0 | 0 | 112.4 | V77 | V77-F79 HydrophobicContact CG1-CE2 4.28Å; V77-F79 HydrophobicContact CG1-CZ 4.15Å | ||
| 80 | S | 87.7 | Confident | 89.6 | Confident | 74 Ų | 74 | 103.3 Ų | 103.3 | 52% | 0.517 | 56% | 0.56 | S | S | . | * | S | Bend | trans | -69.8 | 146.8 | 170.5 | -174.1 | 0 | 0 | 0 | 0 | 109.6 | S78 V82 | S78-S80 VanDerWaalsContact C-N 3.34Å; S78-S80 WeakPolarHBondContact OG-CB 3.25Å; S78-S80 PolarHBondContact OG-N 2.84Å; S80-V82 PolarHBondContact O-N 3.05Å; S80-V82 VanDerWaalsContact O-N 3.1Å; S80-V82 PolarHBondContact OG-N 2.03Å |
| 81 | T | 83.7 | Confident | 89.7 | Confident | 146 Ų | 146 | 101.5 Ų | 101.5 | 90% | 0.896 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -62.7 | -12.5 | 171.7 | 51.2 | 0 | 0 | 0 | 0 | 113.1 | ||
| 82 | V | 79.5 | Confident | 89.8 | Confident | 87 Ų | 87 | 99.9 Ų | 99.9 | 53% | 0.527 | 52% | 0.524 | S | S | . | . | trans | -117.8 | 115.3 | 180 | -175 | 0 | 0 | 0 | 0 | 110.1 | S80 K84 | S80-V82 PolarHBondContact O-N 3.05Å; S80-V82 VanDerWaalsContact O-N 3.1Å; S80-V82 PolarHBondContact OG-N 2.03Å; V82-K84 HydrophobicContact CG1-CG 4.49Å; V82-K84 PolarHBondContact O-N 3.1Å | ||
| 83 | L | 76.8 | Confident | 89.9 | Confident | 101 Ų | 101 | 94.6 Ų | 94.6 | 53% | 0.529 | 51% | 0.51 | S | S | . | . | trans | -87.8 | 102.9 | 171.5 | -168.2 | 64.8 | 0 | 0 | 0 | 109 | P86 | L83-P86 HydrophobicContact CD2-CB 3.77Å; L83-P86 HydrophobicContact CG-CB 4.2Å | ||
| 84 | K | 79.3 | Confident | 89.9 | Confident | 193 Ų | 193 | 92.3 Ų | 92.3 | 84% | 0.839 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -72.7 | -62.4 | -179.4 | -70.7 | -174.4 | 177.8 | -178.4 | 0 | 112.1 | V82 | V82-K84 HydrophobicContact CG1-CG 4.49Å; V82-K84 PolarHBondContact O-N 3.1Å |
| 85 | Q | 87.1 | Confident | 90.1 | Very high | 108 Ų | 108 | 91.6 Ų | 91.6 | 51% | 0.505 | 49% | 0.487 | S | S | . | . | trans | -128.3 | 110.1 | 180 | 179.5 | 63.3 | 17.5 | 0 | 0 | 107.4 | F87 | Q85-F87 VanDerWaalsContact CG-O 3.29Å; Q85-F87 WeakPolarHBondContact CG-O 3.42Å; Q85-F87 PolarHBondContact NE2-O 2.85Å; Q85-F87 PolarHBondContact O-N 3.46Å | ||
| 86 | P | 89.1 | Confident | 90.3 | Very high | 47 Ų | 47 | 89.9 Ų | 89.9 | 31% | 0.305 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -72.1 | -15.5 | -172.6 | 25 | -32.2 | 0 | 0 | 0 | 113.9 | L76 L83 | L76-P86 PolarHBondContact N-O 2.87Å; L83-P86 HydrophobicContact CD2-CB 3.77Å; L83-P86 HydrophobicContact CG-CB 4.2Å |
| 87 | F | 92.3 | Very high | 90.7 | Very high | 100 Ų | 100 | 91.1 Ų | 91.1 | 44% | 0.439 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 141.7 | -174.2 | -56.3 | -71.7 | 0 | 0 | 0 | 112.4 | S73 E74 P75 Q85 | S73-F87 WeakPolarHBondContact OG-CB 3.38Å; E74-F87 CarbonylContact O-C 3.59Å; E74-F87 VanDerWaalsContact O-CA 3.26Å; E74-F87 WeakPolarHBondContact O-CA 3.41Å; P75-F87 HydrophobicContact CB-CD1 4.37Å; P75-F87 HydrophobicContact CB-CE1 4.37Å; Q85-F87 VanDerWaalsContact CG-O 3.29Å; Q85-F87 WeakPolarHBondContact CG-O 3.42Å; Q85-F87 PolarHBondContact NE2-O 2.85Å; Q85-F87 PolarHBondContact O-N 3.46Å |
| 88 | R | 91.2 | Very high | 91.1 | Very high | 175 Ų | 175 | 88.2 Ų | 88.2 | 66% | 0.66 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 102.8 | 160.2 | -174.4 | 179.2 | -174.6 | -177.9 | 2.2 | 108.1 | E74 L76 | E74-R88 PolarHBondContact N-O 3.34Å; E74-R88 PolarHBondContact O-N 3.14Å; L76-R88 HydrophobicContact CD1-CB 4.21Å; L76-R88 HydrophobicContact CD2-CB 3.99Å; L76-R88 HydrophobicContact CG-CB 4.12Å |
| 89 | S | 93.4 | Very high | 91.6 | Very high | 60 Ų | 60 | 87.5 Ų | 87.5 | 42% | 0.42 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 146.5 | 177 | 53.8 | 0 | 0 | 0 | 0 | 111.8 | R72 | R72-S89 CarbonylContact O-C 3.56Å; R72-S89 VanDerWaalsContact O-CA 3.24Å; R72-S89 WeakPolarHBondContact O-CA 3.33Å |
| 90 | S | 95 | Very high | 92.1 | Very high | 22 Ų | 22 | 84.1 Ų | 84.1 | 15% | 0.154 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 131 | 166 | -172 | 0 | 0 | 0 | 0 | 108.5 | S71 R72 E128 | S71-S90 CarbonylContact C-O 3.52Å; S71-S90 VanDerWaalsContact CA-O 3.29Å; S71-S90 WeakPolarHBondContact CA-O 3.45Å; R72-S90 PolarHBondContact N-O 3.4Å; R72-S90 PolarHBondContact O-N 3.38Å; S90-E128 PolarHBondContact OG-OE1 3.49Å |
| 91 | C | 97.1 | Very high | 92.6 | Very high | 51 Ų | 51 | 86.1 Ų | 86.1 | 35% | 0.345 | 45% | 0.446 | S | S | . | . | trans | -145 | 140.3 | -178.7 | -175 | 0 | 0 | 0 | 0 | 107.8 | E128 C129 | C91-E128 CarbonylContact O-C 3.6Å; C91-E128 VanDerWaalsContact O-CA 3.29Å; C91-E128 WeakPolarHBondContact O-CA 3.27Å; C91-C129 HydrophobicContact CB-CB 4.06Å; C91-C129 PolarHBondContact O-N 2.96Å; C91-C129 PolarHBondContact O-SG 2.83Å; C91-C129 PolarHBondContact SG-SG 3.47Å | ||
| 92 | H | 97.4 | Very high | 93.3 | Very high | 52 Ų | 52 | 82.8 Ų | 82.8 | 24% | 0.241 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 128.1 | 178.3 | -72.4 | 69.2 | 0 | 0 | 0 | 110.4 | C67 Q69 C126 E127 | C67-H92 HydrophobicContact CB-CB 3.75Å; Q69-H92 HydrophobicContact CB-CB 4.26Å; H92-C126 HydrophobicContact CB-CB 4.37Å; H92-E127 CarbonylContact C-O 3.53Å; H92-E127 VanDerWaalsContact CA-O 3.31Å; H92-E127 WeakPolarHBondContact CA-O 3.46Å |
| 93 | C | 97.5 | Very high | 94.2 | Very high | 37 Ų | 37 | 82.2 Ų | 82.2 | 25% | 0.25 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 130.8 | -174.5 | -72.4 | 0 | 0 | 0 | 0 | 109.2 | R95 E127 C129 | C93-R95 HydrophobicContact CB-CG 4.03Å; C93-R95 PolarHBondContact O-N 3.12Å; C93-E127 PolarHBondContact N-O 3.06Å; C93-E127 PolarHBondContact O-N 2.92Å; C93-E127 VanDerWaalsContact O-N 3.17Å; C93-C129 HydrophobicContact CB-CB 4.5Å; C93-C129 WeakPolarHBondContact CB-SG 3.03Å; C93-C129 PolarHBondContact N-SG 3.22Å; C93-C129 WeakPolarHBondContact SG-CB 3.03Å; C93-C129 CovalentContact SG-SG 2.07Å; C93-C129 PolarHBondContact SG-SG 2.89Å |
| 94 | C | 97.7 | Very high | 95.2 | Very high | 27 Ų | 27 | 78.1 Ų | 78.1 | 18% | 0.182 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 107.2 | 174.4 | -175.8 | 0 | 0 | 0 | 0 | 110.4 | C37 | C37-C94 WeakPolarHBondContact CA-SG 3.39Å; C37-C94 HydrophobicContact CB-CB 3.65Å; C37-C94 WeakPolarHBondContact CB-SG 3.27Å; C37-C94 WeakPolarHBondContact SG-CA 3.4Å; C37-C94 WeakPolarHBondContact SG-CB 3.46Å; C37-C94 CovalentContact SG-SG 2.03Å; C37-C94 PolarHBondContact SG-SG 2.88Å |
| 95 | R | 98 | Very high | 96 | Very high | 75 Ų | 75 | 76.4 Ų | 76.4 | 28% | 0.283 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 161.5 | -169.8 | -72.4 | 177.6 | 179.2 | 175.7 | 3.7 | 113.2 | C63 C93 Q97 C124 H125 E127 | C63-R95 VanDerWaalsContact SG-C 3.58Å; C93-R95 HydrophobicContact CB-CG 4.03Å; C93-R95 PolarHBondContact O-N 3.12Å; R95-Q97 PolarHBondContact O-N 2.99Å; R95-C124 WeakPolarHBondContact O-CA 3.41Å; R95-H125 PolarHBondContact N-O 2.85Å; R95-H125 PolarHBondContact O-N 2.88Å; R95-H125 PolarHBondContact O-ND1 3.19Å; R95-E127 HydrophobicContact CB-CG 4.04Å; R95-E127 WeakPolarHBondContact CD-OE1 3Å; R95-E127 HydrophobicContact CG-CG 4.36Å; R95-E127 IonicContact CZ-OE1 2.73Å; R95-E127 IonicContact NE-OE1 2.64Å; R95-E127 IonicContact NH1-OE1 3.46Å; R95-E127 PolarHBondContact NH1-OE1 2.03Å |
| 96 | P | 98.3 | Very high | 96.5 | Very high | 65 Ų | 65 | 71.5 Ų | 71.5 | 42% | 0.422 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 121.7 | 178.6 | -21.3 | 34.5 | 0 | 0 | 0 | 111.9 | I121 | P96-I121 HydrophobicContact CB-CD1 4.08Å; P96-I121 HydrophobicContact CB-CG1 3.97Å; P96-I121 HydrophobicContact CB-CG2 4.15Å; P96-I121 HydrophobicContact CG-CD1 3.52Å; P96-I121 HydrophobicContact CG-CG1 3.96Å |
| 97 | Q | 98.1 | Very high | 96.9 | Very high | 111 Ų | 111 | 77.6 Ų | 77.6 | 52% | 0.519 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | -48.1 | 174.7 | -171.9 | -169.2 | 29.8 | 0 | 0 | 110.9 | R95 S123 H125 | R95-Q97 PolarHBondContact O-N 2.99Å; Q97-S123 WeakPolarHBondContact CB-OG 3.48Å; Q97-S123 PolarHBondContact N-O 2.85Å; Q97-S123 PolarHBondContact OE1-OG 3.28Å; Q97-H125 HydrophobicContact CB-CB 4.1Å; Q97-H125 WeakPolarHBondContact CB-ND1 3.35Å; Q97-H125 HydrophobicContact CG-CB 4.36Å |
| 98 | T | 98.5 | Very high | 97.1 | Very high | 64 Ų | 64 | 73.5 Ų | 73.5 | 39% | 0.393 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 143.3 | 178 | 65.8 | 0 | 0 | 0 | 0 | 110.4 | L122 S123 | T98-L122 PolarHBondContact O-N 3.27Å; T98-L122 WeakPolarHBondContact OG1-CB 3.24Å; T98-S123 PolarHBondContact N-O 2.88Å; T98-S123 PolarHBondContact N-OG 3.28Å; T98-S123 PolarHBondContact O-N 2.81Å; T98-S123 PolarHBondContact OG1-N 2.8Å; T98-S123 PolarHBondContact OG1-OG 3.32Å |
| 99 | S | 98.6 | Very high | 97.4 | Very high | 42 Ų | 42 | 68.5 Ų | 68.5 | 29% | 0.294 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 155.6 | 178.9 | 65.4 | 0 | 0 | 0 | 0 | 111.4 | R119 Y120 | S99-R119 PolarHBondContact OG-NH1 2.95Å; S99-R119 VanDerWaalsContact OG-NH1 3.11Å; S99-Y120 CarbonylContact C-O 3.56Å; S99-Y120 VanDerWaalsContact CA-O 3.27Å; S99-Y120 WeakPolarHBondContact CA-O 3.31Å |
| 100 | K | 98.4 | Very high | 97.4 | Very high | 130 Ų | 130 | 69.8 Ų | 69.8 | 57% | 0.565 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112 | 130.8 | 171.9 | -177.6 | 171.6 | -179 | 171.4 | 0 | 110 | K102 Y120 L122 | K100-K102 PolarHBondContact O-N 3.11Å; K100-Y120 PolarHBondContact N-O 3.48Å; K100-Y120 PolarHBondContact O-N 3.26Å; K100-L122 HydrophobicContact CB-CD1 4.31Å |
| 101 | L | 98.5 | Very high | 97.4 | Very high | 116 Ų | 116 | 72 Ų | 72 | 61% | 0.607 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 129.3 | 170.9 | -174.2 | 65.6 | 0 | 0 | 0 | 109.6 | ||
| 102 | K | 98.3 | Very high | 97.3 | Very high | 76 Ų | 76 | 73 Ų | 73 | 33% | 0.33 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 149.4 | 174.8 | -70.2 | -173.7 | -176.3 | -102.5 | 0 | 109.9 | K100 T117 Y118 Y120 | K100-K102 PolarHBondContact O-N 3.11Å; K102-T117 WeakPolarHBondContact O-CA 2.95Å; K102-Y118 HydrophobicContact CB-CD1 4.28Å; K102-Y118 HydrophobicContact CB-CD2 4.42Å; K102-Y118 HydrophobicContact CB-CE1 3.78Å; K102-Y118 HydrophobicContact CB-CE2 3.92Å; K102-Y118 HydrophobicContact CD-CE2 3.8Å; K102-Y118 WeakPolarHBondContact CD-OH 3.29Å; K102-Y118 HydrophobicContact CG-CE2 4.37Å; K102-Y118 PolarHBondContact N-O 3.38Å; K102-Y118 PolarHBondContact O-N 3.23Å; K102-Y120 HydrophobicContact CD-CG 4.2Å; K102-Y120 VanDerWaalsContact CE-CG 3.49Å |
| 103 | A | 97.8 | Very high | 97.3 | Very high | 74 Ų | 74 | 77.4 Ų | 77.4 | 61% | 0.612 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 143.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | T115 A116 T117 | A103-T115 HydrophobicContact CB-CG2 3.98Å; A103-A116 CarbonylContact C-O 3.53Å; A103-A116 WeakPolarHBondContact CA-O 2.97Å; A103-T117 HydrophobicContact CB-CG2 4.33Å |
| 104 | L | 96.7 | Very high | 97.2 | Very high | 16 Ų | 16 | 77.5 Ų | 77.5 | 8% | 0.084 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 131.8 | 177.7 | 170.9 | 64.6 | 0 | 0 | 0 | 109.8 | I46 K56 V58 L106 T115 A116 | I46-L104 HydrophobicContact CB-CD2 4.36Å; I46-L104 HydrophobicContact CD1-CD2 4.28Å; K56-L104 HydrophobicContact CB-CD2 4.03Å; K56-L104 HydrophobicContact CD-CD1 3.31Å; K56-L104 HydrophobicContact CD-CD2 3.73Å; K56-L104 HydrophobicContact CD-CG 4.08Å; K56-L104 HydrophobicContact CG-CD2 4.37Å; V58-L104 HydrophobicContact CG2-CD2 3.82Å; L104-L106 HydrophobicContact CD2-CD2 3.85Å; L104-L106 HydrophobicContact CG-CD2 4.19Å; L104-T115 CarbonylContact O-C 3.54Å; L104-T115 WeakPolarHBondContact O-CA 3.32Å; L104-A116 PolarHBondContact N-O 3.17Å; L104-A116 PolarHBondContact O-N 2.03Å |
| 105 | R | 97.2 | Very high | 97.2 | Very high | 156 Ų | 156 | 80.5 Ų | 80.5 | 59% | 0.589 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 121 | 173.7 | -62.3 | 179.4 | 73.9 | 173.4 | 8.2 | 110.7 | R113 L114 | R105-R113 VanDerWaalsContact NH2-CD 3.33Å; R105-L114 CarbonylContact C-O 3.59Å; R105-L114 WeakPolarHBondContact CA-O 3.24Å |
| 106 | L | 97.5 | Very high | 97.2 | Very high | 6 Ų | 6 | 78.1 Ų | 78.1 | 3% | 0.031 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 146.1 | 169.4 | -55.5 | -179.1 | 0 | 0 | 0 | 109.7 | I46 H48 C53 K56 L104 R113 L114 | I46-L106 HydrophobicContact CG2-CD1 4.44Å; H48-L106 HydrophobicContact CB-CD1 4.41Å; C53-L106 HydrophobicContact CB-CB 4.22Å; C53-L106 HydrophobicContact CB-CD1 4.5Å; K56-L106 HydrophobicContact CB-CD2 4.22Å; L104-L106 HydrophobicContact CD2-CD2 3.85Å; L104-L106 HydrophobicContact CG-CD2 4.19Å; L106-R113 WeakPolarHBondContact O-CA 2.81Å; L106-L114 PolarHBondContact N-O 3.45Å; L106-L114 PolarHBondContact O-N 2.9Å |
| 107 | R | 97.5 | Very high | 97.2 | Very high | 175 Ų | 175 | 79.9 Ų | 79.9 | 66% | 0.66 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 129.2 | 171.9 | -63.8 | -178.5 | -179.9 | -173.1 | 0.4 | 108.4 | C53 S54 | C53-R107 CarbonylContact C-O 3.56Å; C53-R107 VanDerWaalsContact CA-O 3.3Å; C53-R107 WeakPolarHBondContact CA-O 3.28Å; S54-R107 PolarHBondContact N-O 3.49Å; S54-R107 PolarHBondContact OG-N 3.21Å; S54-R107 PolarHBondContact OG-O 3.44Å |
| 108 | C | 96.8 | Very high | 97.2 | Very high | 14 Ų | 14 | 76.9 Ų | 76.9 | 10% | 0.095 | 43% | 0.43 | C | S | . | . | B | Isolated β-bridge | trans | -116 | 166.3 | -176.5 | -51.8 | 0 | 0 | 0 | 0 | 111.6 | K52 C53 G111 M112 | K52-C108 CarbonylContact O-C 3.59Å; K52-C108 WeakPolarHBondContact O-CA 3.38Å; C53-C108 HydrophobicContact CB-CB 4Å; C53-C108 WeakPolarHBondContact CB-SG 3.17Å; C53-C108 WeakPolarHBondContact SG-CB 3.27Å; C53-C108 CovalentContact SG-SG 2.04Å; C53-C108 PolarHBondContact SG-SG 2.95Å; C108-G111 PolarHBondContact O-N 3.44Å; C108-M112 HydrophobicContact CB-CB 4.27Å; C108-M112 HydrophobicContact CB-CE 4.02Å; C108-M112 PolarHBondContact N-O 2.73Å |
| 109 | S | 96.6 | Very high | 97.2 | Very high | 70 Ų | 70 | 81.7 Ų | 81.7 | 49% | 0.49 | 44% | 0.441 | S | S | . | . | G | 310 helix | trans | -52.3 | 147.3 | 170.4 | 53.4 | 0 | 0 | 0 | 0 | 111.2 | K52 G111 | K52-S109 PolarHBondContact O-N 2.99Å; S109-G111 VanDerWaalsContact C-N 3.3Å; S109-G111 PolarHBondContact O-N 2.07Å |
| 110 | G | 94.2 | Very high | 97.2 | Very high | 87 Ų | 87 | 81.2 Ų | 81.2 | 90% | 0.897 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | 74.9 | 15.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | M112 | G110-M112 PolarHBondContact O-N 2.84Š|
| 111 | G | 93.9 | Very high | 97.2 | Very high | 68 Ų | 68 | 76 Ų | 76 | 70% | 0.701 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | 75.5 | -0.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | C108 S109 | C108-G111 PolarHBondContact O-N 3.44Å; S109-G111 VanDerWaalsContact C-N 3.3Å; S109-G111 PolarHBondContact O-N 2.07Å |
| 112 | M | 95.6 | Very high | 97.2 | Very high | 73 Ų | 73 | 74.6 Ų | 74.6 | 36% | 0.36 | 40% | 0.403 | S | S | . | . | trans | -62.3 | 144.1 | 177.2 | -175.9 | 173.1 | 65.2 | 0 | 0 | 111 | Y51 C108 G110 L114 | Y51-M112 HydrophobicContact CD1-CE 3.9Å; Y51-M112 HydrophobicContact CD2-CE 4.31Å; Y51-M112 HydrophobicContact CE1-CE 4.26Å; Y51-M112 HydrophobicContact CG-CE 3.94Å; C108-M112 HydrophobicContact CB-CB 4.27Å; C108-M112 HydrophobicContact CB-CE 4.02Å; C108-M112 PolarHBondContact N-O 2.73Å; G110-M112 PolarHBondContact O-N 2.84Å; M112-L114 HydrophobicContact CE-CD1 3.91Å; M112-L114 HydrophobicContact CE-CD2 4.08Å; M112-L114 HydrophobicContact CE-CG 4.01Å; M112-L114 HydrophobicContact CG-CD2 4.17Å; M112-L114 HydrophobicContact CG-CG 4.41Å; M112-L114 HydrophobicContact SD-CD2 3.96Å; M112-L114 HydrophobicContact SD-CG 4.44Å | ||
| 113 | R | 96.6 | Very high | 97.2 | Very high | 143 Ų | 143 | 72.4 Ų | 72.4 | 54% | 0.54 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 122.1 | 174.6 | -64.6 | -177.3 | -179.1 | -178.3 | 2.7 | 109.3 | R105 L106 | R105-R113 VanDerWaalsContact NH2-CD 3.33Å; L106-R113 WeakPolarHBondContact O-CA 2.81Å |
| 114 | L | 97.1 | Very high | 97.2 | Very high | 40 Ų | 40 | 70 Ų | 70 | 21% | 0.209 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 143.6 | 178 | -64.3 | -178.3 | 0 | 0 | 0 | 110.5 | H48 Y51 R105 L106 M112 | H48-L114 VanDerWaalsContact CD2-CD1 3.45Å; H48-L114 WeakPolarHBondContact CD2-CD1 3.36Å; Y51-L114 HydrophobicContact CD2-CD1 3.53Å; Y51-L114 HydrophobicContact CE2-CD1 4.25Å; Y51-L114 HydrophobicContact CG-CD1 4.12Å; R105-L114 CarbonylContact C-O 3.59Å; R105-L114 WeakPolarHBondContact CA-O 3.24Å; L106-L114 PolarHBondContact N-O 3.45Å; L106-L114 PolarHBondContact O-N 2.9Å; M112-L114 HydrophobicContact CE-CD1 3.91Å; M112-L114 HydrophobicContact CE-CD2 4.08Å; M112-L114 HydrophobicContact CE-CG 4.01Å; M112-L114 HydrophobicContact CG-CD2 4.17Å; M112-L114 HydrophobicContact CG-CG 4.41Å; M112-L114 HydrophobicContact SD-CD2 3.96Å; M112-L114 HydrophobicContact SD-CG 4.44Å |
| 115 | T | 97.4 | Very high | 97.3 | Very high | 89 Ų | 89 | 72 Ų | 72 | 55% | 0.546 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 116.5 | 177.4 | -58.8 | 0 | 0 | 0 | 0 | 109.4 | A103 L104 T117 | A103-T115 HydrophobicContact CB-CG2 3.98Å; L104-T115 CarbonylContact O-C 3.54Å; L104-T115 WeakPolarHBondContact O-CA 3.32Å; T115-T117 HydrophobicContact CG2-CG2 4.46Å |
| 116 | A | 97.4 | Very high | 97.3 | Very high | 26 Ų | 26 | 66.3 Ų | 66.3 | 22% | 0.215 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 140.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | I46 A103 L104 | I46-A116 HydrophobicContact CG2-CB 4.11Å; A103-A116 CarbonylContact C-O 3.53Å; A103-A116 WeakPolarHBondContact CA-O 2.97Å; L104-A116 PolarHBondContact N-O 3.17Å; L104-A116 PolarHBondContact O-N 2.03Å |
| 117 | T | 98 | Very high | 97.3 | Very high | 101 Ų | 101 | 69 Ų | 69 | 62% | 0.62 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 144.7 | 176.6 | 54.8 | 0 | 0 | 0 | 0 | 110 | K102 A103 T115 | K102-T117 WeakPolarHBondContact O-CA 2.95Å; A103-T117 HydrophobicContact CB-CG2 4.33Å; T115-T117 HydrophobicContact CG2-CG2 4.46Å |
| 118 | Y | 98 | Very high | 97.3 | Very high | 49 Ų | 49 | 66.2 Ų | 66.2 | 19% | 0.192 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 165.1 | 176.6 | 67.1 | -84.4 | 0 | 0 | 0 | 110.5 | I46 V58 L60 K102 | I46-Y118 HydrophobicContact CD1-CD1 4.07Å; I46-Y118 HydrophobicContact CD1-CE1 4.2Å; V58-Y118 HydrophobicContact CG1-CE1 4.27Å; V58-Y118 HydrophobicContact CG1-CE2 4.36Å; V58-Y118 VanDerWaalsContact CG1-OH 3.27Å; V58-Y118 WeakPolarHBondContact CG1-OH 3.19Å; L60-Y118 HydrophobicContact CD2-CD2 3.58Å; L60-Y118 HydrophobicContact CD2-CE2 3.46Å; L60-Y118 VanDerWaalsContact CD2-CE2 3.46Å; L60-Y118 HydrophobicContact CD2-CG 4.37Å; K102-Y118 HydrophobicContact CB-CD1 4.28Å; K102-Y118 HydrophobicContact CB-CD2 4.42Å; K102-Y118 HydrophobicContact CB-CE1 3.78Å; K102-Y118 HydrophobicContact CB-CE2 3.92Å; K102-Y118 HydrophobicContact CD-CE2 3.8Å; K102-Y118 WeakPolarHBondContact CD-OH 3.29Å; K102-Y118 HydrophobicContact CG-CE2 4.37Å; K102-Y118 PolarHBondContact N-O 3.38Å; K102-Y118 PolarHBondContact O-N 3.23Å |
| 119 | R | 98.5 | Very high | 97.2 | Very high | 164 Ų | 164 | 67 Ų | 67 | 62% | 0.619 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 122.8 | 174.2 | -72.8 | -176.6 | 174 | -84.6 | -0.2 | 109.9 | S99 | S99-R119 PolarHBondContact OG-NH1 2.95Å; S99-R119 VanDerWaalsContact OG-NH1 3.11Å |
| 120 | Y | 98.4 | Very high | 96.4 | Very high | 33 Ų | 33 | 68.5 Ų | 68.5 | 13% | 0.129 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 113.1 | 170.8 | -173.3 | -99.2 | 0 | 0 | 0 | 109.5 | H41 L59 A61 S99 K100 K102 L122 | H41-Y120 PolarHBondContact CD2-OH 3.34Å; H41-Y120 PolarHBondContact NE2-OH 3.46Å; L59-Y120 WeakPolarHBondContact O-CE2 3.29Å; A61-Y120 HydrophobicContact CB-CE2 4.33Å; S99-Y120 CarbonylContact C-O 3.56Å; S99-Y120 VanDerWaalsContact CA-O 3.27Å; S99-Y120 WeakPolarHBondContact CA-O 3.31Å; K100-Y120 PolarHBondContact N-O 3.48Å; K100-Y120 PolarHBondContact O-N 3.26Å; K102-Y120 HydrophobicContact CD-CG 4.2Å; K102-Y120 VanDerWaalsContact CE-CG 3.49Å; Y120-L122 HydrophobicContact CD1-CD2 3.8Å; Y120-L122 HydrophobicContact CE1-CD2 4.05Å |
| 121 | I | 98.8 | Very high | 94.8 | Very high | 21 Ų | 21 | 72.3 Ų | 72.3 | 11% | 0.108 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 130.1 | -177 | -61.8 | 170 | 0 | 0 | 0 | 109.7 | R39 A61 P96 | R39-I121 WeakPolarHBondContact CD-O 3.37Å; R39-I121 HydrophobicContact CG-CG2 4.44Å; R39-I121 PolarHBondContact NH1-O 3.38Å; A61-I121 HydrophobicContact CB-CB 4.06Å; A61-I121 WeakPolarHBondContact O-CD1 3.49Å; P96-I121 HydrophobicContact CB-CD1 4.08Å; P96-I121 HydrophobicContact CB-CG1 3.97Å; P96-I121 HydrophobicContact CB-CG2 4.15Å; P96-I121 HydrophobicContact CG-CD1 3.52Å; P96-I121 HydrophobicContact CG-CG1 3.96Å |
| 122 | L | 98.5 | Very high | 94.9 | Very high | 85 Ų | 85 | 72.6 Ų | 72.6 | 45% | 0.445 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | -38.6 | -179.3 | -61.4 | 176.7 | 0 | 0 | 0 | 111.8 | R39 T98 K100 Y120 | R39-L122 VanDerWaalsContact CD-O 3.25Å; R39-L122 WeakPolarHBondContact CD-O 3.26Å; R39-L122 PolarHBondContact NE-O 3.47Å; T98-L122 PolarHBondContact O-N 3.27Å; T98-L122 WeakPolarHBondContact OG1-CB 3.24Å; K100-L122 HydrophobicContact CB-CD1 4.31Å; Y120-L122 HydrophobicContact CD1-CD2 3.8Å; Y120-L122 HydrophobicContact CE1-CD2 4.05Å |
| 123 | S | 98.4 | Very high | 94.8 | Very high | 31 Ų | 31 | 72.5 Ų | 72.5 | 22% | 0.217 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 154.5 | 173.3 | 64 | 0 | 0 | 0 | 0 | 111.7 | Q97 T98 | Q97-S123 WeakPolarHBondContact CB-OG 3.48Å; Q97-S123 PolarHBondContact N-O 2.85Å; Q97-S123 PolarHBondContact OE1-OG 3.28Å; T98-S123 PolarHBondContact N-O 2.88Å; T98-S123 PolarHBondContact N-OG 3.28Å; T98-S123 PolarHBondContact O-N 2.81Å; T98-S123 PolarHBondContact OG1-N 2.8Å; T98-S123 PolarHBondContact OG1-OG 3.32Å |
| 124 | C | 98.3 | Very high | 94.7 | Very high | 23 Ų | 23 | 68.6 Ų | 68.6 | 16% | 0.155 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 150.2 | 177.5 | -61.2 | 0 | 0 | 0 | 0 | 109 | C63 R95 | C63-C124 WeakPolarHBondContact CA-SG 3.29Å; C63-C124 HydrophobicContact CB-CB 3.69Å; C63-C124 WeakPolarHBondContact CB-SG 3.41Å; C63-C124 WeakPolarHBondContact SG-CB 3.39Å; C63-C124 CovalentContact SG-SG 2.03Å; C63-C124 PolarHBondContact SG-SG 3.47Å; R95-C124 WeakPolarHBondContact O-CA 3.41Å |
| 125 | H | 97.9 | Very high | 94.6 | Very high | 59 Ų | 59 | 70.3 Ų | 70.3 | 27% | 0.273 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 166.6 | 174.7 | 74 | -37.2 | 0 | 0 | 0 | 110.9 | R95 Q97 E127 | R95-H125 PolarHBondContact N-O 2.85Å; R95-H125 PolarHBondContact O-N 2.88Å; R95-H125 PolarHBondContact O-ND1 3.19Å; Q97-H125 HydrophobicContact CB-CB 4.1Å; Q97-H125 WeakPolarHBondContact CB-ND1 3.35Å; Q97-H125 HydrophobicContact CG-CB 4.36Å; H125-E127 IonicContact CE1-OE2 3.47Å; H125-E127 PolarHBondContact CE1-OE2 3.31Å; H125-E127 VanDerWaalsContact CE1-OE2 3.23Å; H125-E127 IonicContact NE2-OE2 2.8Å |
| 126 | C | 97.8 | Very high | 94.4 | Very high | 35 Ų | 35 | 69.1 Ų | 69.1 | 24% | 0.236 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 118.1 | 171 | -71.5 | 0 | 0 | 0 | 0 | 109.6 | C37 C67 H92 | C37-C126 VanDerWaalsContact CB-SG 3.55Å; C67-C126 WeakPolarHBondContact CA-SG 3.35Å; C67-C126 HydrophobicContact CB-CB 3.79Å; C67-C126 WeakPolarHBondContact CB-SG 3.01Å; C67-C126 WeakPolarHBondContact SG-CB 3.5Å; C67-C126 CovalentContact SG-SG 2.03Å; C67-C126 PolarHBondContact SG-SG 2.73Å; H92-C126 HydrophobicContact CB-CB 4.37Å |
| 127 | E | 97.4 | Very high | 94.2 | Very high | 64 Ų | 64 | 72 Ų | 72 | 30% | 0.299 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 156.3 | 175 | 66.2 | 176.1 | -155.4 | 0 | 0 | 111 | H92 C93 R95 H125 C129 | H92-E127 CarbonylContact C-O 3.53Å; H92-E127 VanDerWaalsContact CA-O 3.31Å; H92-E127 WeakPolarHBondContact CA-O 3.46Å; C93-E127 PolarHBondContact N-O 3.06Å; C93-E127 PolarHBondContact O-N 2.92Å; C93-E127 VanDerWaalsContact O-N 3.17Å; R95-E127 HydrophobicContact CB-CG 4.04Å; R95-E127 WeakPolarHBondContact CD-OE1 3Å; R95-E127 HydrophobicContact CG-CG 4.36Å; R95-E127 IonicContact CZ-OE1 2.73Å; R95-E127 IonicContact NE-OE1 2.64Å; R95-E127 IonicContact NH1-OE1 3.46Å; R95-E127 PolarHBondContact NH1-OE1 2.03Å; H125-E127 IonicContact CE1-OE2 3.47Å; H125-E127 PolarHBondContact CE1-OE2 3.31Å; H125-E127 VanDerWaalsContact CE1-OE2 3.23Å; H125-E127 IonicContact NE2-OE2 2.8Å; E127-C129 PolarHBondContact O-N 2.82Å |
| 128 | E | 97 | Very high | 93.9 | Very high | 116 Ų | 116 | 69.9 Ų | 69.9 | 54% | 0.542 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 133.8 | 178.1 | -170.1 | 160.8 | -138.2 | 0 | 0 | 110.6 | S90 C91 S130 | S90-E128 PolarHBondContact OG-OE1 3.49Å; C91-E128 CarbonylContact O-C 3.6Å; C91-E128 VanDerWaalsContact O-CA 3.29Å; C91-E128 WeakPolarHBondContact O-CA 3.27Å; E128-S130 PolarHBondContact O-N 3.1Å |
| 129 | C | 94.5 | Very high | 93.6 | Very high | 31 Ų | 31 | 71.5 Ų | 71.5 | 21% | 0.209 | 39% | 0.393 | C | S | . | . | trans | -72.4 | 119 | 178.3 | -46.5 | 0 | 0 | 0 | 0 | 108.2 | C91 C93 E127 S131 | C91-C129 HydrophobicContact CB-CB 4.06Å; C91-C129 PolarHBondContact O-N 2.96Å; C91-C129 PolarHBondContact O-SG 2.83Å; C91-C129 PolarHBondContact SG-SG 3.47Å; C93-C129 HydrophobicContact CB-CB 4.5Å; C93-C129 WeakPolarHBondContact CB-SG 3.03Å; C93-C129 PolarHBondContact N-SG 3.22Å; C93-C129 WeakPolarHBondContact SG-CB 3.03Å; C93-C129 CovalentContact SG-SG 2.07Å; C93-C129 PolarHBondContact SG-SG 2.89Å; E127-C129 PolarHBondContact O-N 2.82Å; C129-S131 PolarHBondContact O-N 3.41Å | ||
| 130 | S | 80.7 | Confident | 93.2 | Very high | 101 Ų | 101 | 63.8 Ų | 63.8 | 71% | 0.706 | 37% | 0.374 | S | S | * | . | trans | -67.2 | 114.5 | 174 | 54.2 | 0 | 0 | 0 | 0 | 110.1 | E128 | E128-S130 PolarHBondContact O-N 3.1Š| ||
| 131 | S | 60.6 | Low | 92.7 | Very high | 167 Ų | 167 | 66.6 Ų | 66.6 | 100% | 1.168 | 40% | 0.396 | S | S | * | . | trans | -76.2 | 0 | 167.6 | 60.6 | 0 | 0 | 0 | 0 | 111.6 | C129 | C129-S131 PolarHBondContact O-N 3.41Š|
Retrieved 131 of 131 residues in 47.1 ms
(Link to these results)