| 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 | 88.6 | Confident | 92.9 | Very high | 143 Ų | 143 | 112.4 Ų | 112.4 | 70% | 0.704 | 61% | 0.606 | S | S | * | * | 0 | 130 | 0 | -174.8 | 170.6 | 176.1 | 0 | 0 | 106 | F8 V9 D10 | M1-F8 WeakPolarHBondContact O-CA 3.32Å; M1-V9 HydrophobicContact CB-CG2 4.05Å; M1-V9 HydrophobicContact CG-CG2 4.08Å; M1-V9 PolarHBondContact O-N 2.79Å; M1-V9 VanDerWaalsContact O-N 3.07Å; M1-D10 VanDerWaalsContact CB-OD1 3.24Å; M1-D10 WeakPolarHBondContact CB-OD1 3.4Å; M1-D10 WeakPolarHBondContact CB-OD2 3.26Å; M1-D10 VanDerWaalsContact N-CG 3.27Å; M1-D10 PolarHBondContact N-OD2 2.77Å | |||
| 2 | Q | 92.6 | Very high | 93 | Very high | 116 Ų | 116 | 114.4 Ų | 114.4 | 54% | 0.542 | 60% | 0.6 | S | S | . | * | B | Isolated β-bridge | trans | -108.9 | 133.3 | 179.5 | -162.3 | 174.6 | 5 | 0 | 0 | 107.2 | G6 E7 | Q2-G6 WeakPolarHBondContact CG-O 3.21Å; Q2-G6 PolarHBondContact NE2-O 2.84Å; Q2-E7 CarbonylContact C-O 3.45Å; Q2-E7 VanDerWaalsContact CA-O 3.27Å; Q2-E7 WeakPolarHBondContact CA-O 3.46Å |
| 3 | N | 92.9 | Very high | 93.1 | Very high | 51 Ų | 51 | 115 Ų | 115 | 27% | 0.273 | 61% | 0.611 | S | S | . | * | trans | -78 | 175.3 | 173.1 | 69.2 | 9.8 | 0 | 0 | 0 | 110.6 | A5 G6 E7 V9 | N3-A5 PolarHBondContact O-N 3.14Å; N3-A5 VanDerWaalsContact O-N 3.17Å; N3-A5 WeakPolarHBondContact OD1-CA 3.43Å; N3-A5 WeakPolarHBondContact OD1-CB 3.48Å; N3-A5 PolarHBondContact OD1-N 3.27Å; N3-A5 VanDerWaalsContact OD1-N 3.09Å; N3-G6 PolarHBondContact O-N 3.31Å; N3-G6 PolarHBondContact OD1-N 3.27Å; N3-E7 PolarHBondContact N-O 3.47Å; N3-E7 PolarHBondContact ND2-OE2 2.71Å; N3-E7 WeakPolarHBondContact OD1-CB 3.45Å; N3-E7 PolarHBondContact OD1-N 3.32Å; N3-V9 HydrophobicContact CB-CG1 4.03Å | ||
| 4 | D | 94.1 | Very high | 93.3 | Very high | 182 Ų | 182 | 109.5 Ų | 109.5 | 97% | 0.973 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -20.1 | 179.8 | -60.3 | -28 | 0 | 0 | 0 | 113.2 | G6 | D4-G6 VanDerWaalsContact C-N 3.29Š|
| 5 | A | 93.9 | Very high | 93.5 | Very high | 81 Ų | 81 | 109.2 Ų | 109.2 | 67% | 0.669 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -2.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | N3 E7 | N3-A5 PolarHBondContact O-N 3.14Å; N3-A5 VanDerWaalsContact O-N 3.17Å; N3-A5 WeakPolarHBondContact OD1-CA 3.43Å; N3-A5 WeakPolarHBondContact OD1-CB 3.48Å; N3-A5 PolarHBondContact OD1-N 3.27Å; N3-A5 VanDerWaalsContact OD1-N 3.09Å; A5-E7 HydrophobicContact CB-CG 4.4Å |
| 6 | G | 92.6 | Very high | 93.8 | Very high | 34 Ų | 34 | 110.6 Ų | 110.6 | 35% | 0.351 | 57% | 0.572 | S | S | . | * | S | Bend | trans | 86.5 | 10.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q2 N3 D4 | Q2-G6 WeakPolarHBondContact CG-O 3.21Å; Q2-G6 PolarHBondContact NE2-O 2.84Å; N3-G6 PolarHBondContact O-N 3.31Å; N3-G6 PolarHBondContact OD1-N 3.27Å; D4-G6 VanDerWaalsContact C-N 3.29Å |
| 7 | E | 93.8 | Very high | 94 | Very high | 122 Ų | 122 | 104.1 Ų | 104.1 | 57% | 0.57 | 54% | 0.539 | S | S | * | . | trans | -94.1 | 141.7 | -176.7 | -53.8 | 173.7 | 139.6 | 0 | 0 | 111.8 | Q2 N3 A5 V9 | Q2-E7 CarbonylContact C-O 3.45Å; Q2-E7 VanDerWaalsContact CA-O 3.27Å; Q2-E7 WeakPolarHBondContact CA-O 3.46Å; N3-E7 PolarHBondContact N-O 3.47Å; N3-E7 PolarHBondContact ND2-OE2 2.71Å; N3-E7 WeakPolarHBondContact OD1-CB 3.45Å; N3-E7 PolarHBondContact OD1-N 3.32Å; A5-E7 HydrophobicContact CB-CG 4.4Å; E7-V9 PolarHBondContact O-N 3.46Å | ||
| 8 | F | 92 | Very high | 94.2 | Very high | 170 Ų | 170 | 100.7 Ų | 100.7 | 75% | 0.746 | 53% | 0.526 | S | S | * | . | B | Isolated β-bridge | trans | -77.1 | 115.3 | 173.3 | -73.6 | -82.3 | 0 | 0 | 0 | 110.5 | M1 | M1-F8 WeakPolarHBondContact O-CA 3.32Å |
| 9 | V | 94.7 | Very high | 94.4 | Very high | 81 Ų | 81 | 96.4 Ų | 96.4 | 49% | 0.491 | 51% | 0.506 | S | S | . | . | trans | -101.3 | -5.5 | -177.3 | -65.2 | 0 | 0 | 0 | 0 | 114 | M1 N3 E7 | M1-V9 HydrophobicContact CB-CG2 4.05Å; M1-V9 HydrophobicContact CG-CG2 4.08Å; M1-V9 PolarHBondContact O-N 2.79Å; M1-V9 VanDerWaalsContact O-N 3.07Å; N3-V9 HydrophobicContact CB-CG1 4.03Å; E7-V9 PolarHBondContact O-N 3.46Å | ||
| 10 | D | 92.8 | Very high | 94.4 | Very high | 77 Ų | 77 | 94 Ų | 94 | 41% | 0.412 | 50% | 0.498 | S | S | . | . | trans | -78.8 | 140.8 | 179.6 | -74 | -17.8 | 0 | 0 | 0 | 112 | M1 | M1-D10 VanDerWaalsContact CB-OD1 3.24Å; M1-D10 WeakPolarHBondContact CB-OD1 3.4Å; M1-D10 WeakPolarHBondContact CB-OD2 3.26Å; M1-D10 VanDerWaalsContact N-CG 3.27Å; M1-D10 PolarHBondContact N-OD2 2.77Å | ||
| 11 | L | 93.8 | Very high | 94.6 | Very high | 179 Ų | 179 | 95.4 Ų | 95.4 | 94% | 0.937 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -65 | -38.6 | 172.6 | -67 | 173.5 | 0 | 0 | 0 | 112.5 | ||
| 12 | Y | 94.1 | Very high | 94.9 | Very high | 137 Ų | 137 | 95.8 Ų | 95.8 | 54% | 0.537 | 50% | 0.499 | S | S | . | . | trans | -163.1 | 158.2 | 176.1 | 71.9 | -75.8 | 0 | 0 | 0 | 110.4 | P14 | Y12-P14 HydrophobicContact CD2-CB 4.38Å; Y12-P14 HydrophobicContact CE2-CB 3.75Å | ||
| 13 | V | 94.2 | Very high | 95.1 | Very high | 122 Ų | 122 | 95.3 Ų | 95.3 | 74% | 0.739 | 50% | 0.499 | S | S | * | . | trans | -96.2 | 115.8 | 169.8 | -178.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 14 | P | 96.2 | Very high | 95.4 | Very high | 38 Ų | 38 | 93.2 Ų | 93.2 | 25% | 0.247 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 153.8 | -178.3 | 28.2 | -35.1 | 0 | 0 | 0 | 111.8 | Y12 I23 | Y12-P14 HydrophobicContact CD2-CB 4.38Å; Y12-P14 HydrophobicContact CE2-CB 3.75Å; P14-I23 HydrophobicContact CB-CG2 3.7Å; P14-I23 HydrophobicContact CG-CG2 3.45Å; P14-I23 VanDerWaalsContact CG-CG2 3.45Å |
| 15 | R | 97.1 | Very high | 95.5 | Very high | 105 Ų | 105 | 86.5 Ų | 86.5 | 40% | 0.396 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 144.3 | 173.8 | -64.4 | 178.4 | -64.4 | 144.3 | 8.7 | 109.8 | I24 | R15-I24 HydrophobicContact CB-CB 4.46Å; R15-I24 HydrophobicContact CB-CD1 4.16Å; R15-I24 WeakPolarHBondContact O-CB 3.38Å; R15-I24 PolarHBondContact O-N 3.22Å |
| 16 | K | 97.8 | Very high | 95.6 | Very high | 131 Ų | 131 | 86.5 Ų | 86.5 | 57% | 0.57 | 46% | 0.461 | S | S | * | . | B | Isolated β-bridge | trans | -103.7 | 141.2 | 169.7 | -72.2 | -176.9 | -74.5 | -179.2 | 0 | 109.4 | S18 R22 I23 | K16-S18 PolarHBondContact O-N 3.17Å; K16-R22 WeakPolarHBondContact CA-O 3.45Å; K16-I23 HydrophobicContact CG-CG1 4.26Å |
| 17 | C | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 93 Ų | 93 | 0% | 0 | 48% | 0.48 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 121.3 | 170.8 | -178.2 | 0 | 0 | 0 | 0 | 109.1 | A19 S20 N21 R22 A54 C56 | C17-A19 PolarHBondContact O-N 2.88Å; C17-S20 PolarHBondContact O-N 3.45Å; C17-S20 PolarHBondContact SG-OG 3.18Å; C17-N21 VanDerWaalsContact O-CA 3.27Å; C17-N21 WeakPolarHBondContact O-CA 3.48Å; C17-N21 PolarHBondContact O-N 3.14Å; C17-R22 HydrophobicContact CB-CB 4.5Å; C17-R22 WeakPolarHBondContact CB-O 3.46Å; C17-R22 PolarHBondContact N-O 3.03Å; C17-A54 CarbonylContact C-O 3.59Å; C17-A54 WeakPolarHBondContact CA-O 3.41Å; C17-C56 HydrophobicContact CB-CB 3.92Å; C17-C56 PolarHBondContact SG-N 3.22Å; C17-C56 VanDerWaalsContact SG-N 3.38Å; C17-C56 VanDerWaalsContact SG-SG 3.62Å |
| 18 | S | 97.6 | Very high | 96 | Very high | 44 Ų | 44 | 89.3 Ų | 89.3 | 31% | 0.308 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -28.4 | 178.4 | -55.1 | 0 | 0 | 0 | 0 | 112.2 | K16 A54 | K16-S18 PolarHBondContact O-N 3.17Å; S18-A54 PolarHBondContact N-O 3.3Å; S18-A54 PolarHBondContact OG-N 2.92Å; S18-A54 PolarHBondContact OG-O 3.36Å |
| 19 | A | 96.8 | Very high | 96.3 | Very high | 19 Ų | 19 | 88.5 Ų | 88.5 | 16% | 0.157 | 46% | 0.463 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -43 | -178 | 0 | 0 | 0 | 0 | 0 | 113.3 | C17 I55 R71 | C17-A19 PolarHBondContact O-N 2.88Å; A19-I55 HydrophobicContact CB-CD1 3.99Å; A19-R71 PolarHBondContact O-NH2 2.74Å |
| 20 | S | 96.2 | Very high | 96.4 | Very high | 48 Ų | 48 | 86.8 Ų | 86.8 | 34% | 0.336 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121 | 0.2 | -167.8 | 63.5 | 0 | 0 | 0 | 0 | 114.9 | C17 R22 | C17-S20 PolarHBondContact O-N 3.45Å; C17-S20 PolarHBondContact SG-OG 3.18Å; S20-R22 PolarHBondContact O-N 2.86Å |
| 21 | N | 96.8 | Very high | 96.6 | Very high | 124 Ų | 124 | 84.2 Ų | 84.2 | 66% | 0.663 | 45% | 0.445 | S | S | * | . | trans | 57.1 | 8.7 | -173.3 | -67.6 | -42.6 | 0 | 0 | 0 | 115.4 | C17 | C17-N21 VanDerWaalsContact O-CA 3.27Å; C17-N21 WeakPolarHBondContact O-CA 3.48Å; C17-N21 PolarHBondContact O-N 3.14Å | ||
| 22 | R | 95.9 | Very high | 96.8 | Very high | 150 Ų | 150 | 77.7 Ų | 77.7 | 57% | 0.566 | 41% | 0.41 | S | S | * | . | trans | -69.3 | 137.6 | 175.1 | -173.8 | 179.2 | -65.5 | -175.5 | 0.1 | 110.6 | K16 C17 S20 I24 A58 | K16-R22 WeakPolarHBondContact CA-O 3.45Å; C17-R22 HydrophobicContact CB-CB 4.5Å; C17-R22 WeakPolarHBondContact CB-O 3.46Å; C17-R22 PolarHBondContact N-O 3.03Å; S20-R22 PolarHBondContact O-N 2.86Å; R22-I24 PolarHBondContact O-N 3.42Å; R22-A58 VanDerWaalsContact NH1-CB 3.31Å | ||
| 23 | I | 97.2 | Very high | 97 | Very high | 107 Ų | 107 | 76.1 Ų | 76.1 | 55% | 0.549 | 41% | 0.408 | S | S | . | . | B | Isolated β-bridge | trans | -63.9 | 133.3 | 172.8 | -65.7 | 171.8 | 0 | 0 | 0 | 110.2 | P14 K16 | P14-I23 HydrophobicContact CB-CG2 3.7Å; P14-I23 HydrophobicContact CG-CG2 3.45Å; P14-I23 VanDerWaalsContact CG-CG2 3.45Å; K16-I23 HydrophobicContact CG-CG1 4.26Å |
| 24 | I | 97.7 | Very high | 97.1 | Very high | 7 Ų | 7 | 73.4 Ų | 73.4 | 4% | 0.036 | 39% | 0.389 | C | S | . | . | trans | -89.2 | 111.9 | 172.7 | -63.9 | 164 | 0 | 0 | 0 | 107.8 | R15 R22 D28 S31 A54 C56 | R15-I24 HydrophobicContact CB-CB 4.46Å; R15-I24 HydrophobicContact CB-CD1 4.16Å; R15-I24 WeakPolarHBondContact O-CB 3.38Å; R15-I24 PolarHBondContact O-N 3.22Å; R22-I24 PolarHBondContact O-N 3.42Å; I24-D28 HydrophobicContact CG2-CB 4.14Å; I24-S31 WeakPolarHBondContact CG2-OG 3.2Å; I24-A54 HydrophobicContact CD1-CB 3.85Å; I24-C56 HydrophobicContact CG1-CB 3.86Å | ||
| 25 | G | 96.6 | Very high | 97.2 | Very high | 40 Ų | 40 | 76.1 Ų | 76.1 | 41% | 0.412 | 40% | 0.401 | S | S | . | . | trans | -72.8 | 158.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | K27 D28 | G25-K27 PolarHBondContact O-N 3.17Å; G25-K27 VanDerWaalsContact O-N 3.16Å; G25-D28 PolarHBondContact O-N 2.88Å; G25-D28 VanDerWaalsContact O-N 3.1Å | ||
| 26 | A | 96.9 | Very high | 97.1 | Very high | 81 Ų | 81 | 73.2 Ų | 73.2 | 67% | 0.669 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -22 | -178 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 27 | K | 97.6 | Very high | 97.1 | Very high | 172 Ų | 172 | 69.6 Ų | 69.6 | 75% | 0.748 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | 9.8 | 177.8 | -62.3 | -62.4 | -173.4 | 179.6 | 0 | 113.7 | G25 H29 | G25-K27 PolarHBondContact O-N 3.17Å; G25-K27 VanDerWaalsContact O-N 3.16Å; K27-H29 PolarHBondContact O-CD2 2.9Å; K27-H29 PolarHBondContact O-N 3.46Å |
| 28 | D | 97.1 | Very high | 97 | Very high | 44 Ų | 44 | 73.4 Ų | 73.4 | 24% | 0.235 | 41% | 0.405 | C | S | . | . | trans | -77.7 | 78.9 | 170.8 | -173.7 | 2.8 | 0 | 0 | 0 | 110 | I24 G25 A30 S31 G57 | I24-D28 HydrophobicContact CG2-CB 4.14Å; G25-D28 PolarHBondContact O-N 2.88Å; G25-D28 VanDerWaalsContact O-N 3.1Å; D28-A30 PolarHBondContact O-N 2.62Å; D28-A30 PolarHBondContact OD1-N 2.84Å; D28-S31 WeakPolarHBondContact O-CB 3.46Å; D28-S31 PolarHBondContact O-N 3.46Å; D28-S31 VanDerWaalsContact O-N 3.08Å; D28-S31 PolarHBondContact O-OG 3.12Å; D28-S31 PolarHBondContact OD1-N 3.11Å; D28-S31 VanDerWaalsContact OD1-N 3.13Å; D28-G57 WeakPolarHBondContact OD1-CA 3.23Å; D28-G57 PolarHBondContact OD1-N 3.24Å; D28-G57 PolarHBondContact OD2-N 3.17Å | ||
| 29 | H | 97.5 | Very high | 96.9 | Very high | 153 Ų | 153 | 75.3 Ų | 75.3 | 71% | 0.708 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -15.3 | 179.2 | -60.7 | -61.5 | 0 | 0 | 0 | 113.4 | K27 | K27-H29 PolarHBondContact O-CD2 2.9Å; K27-H29 PolarHBondContact O-N 3.46Å |
| 30 | A | 97.6 | Very high | 96.9 | Very high | 45 Ų | 45 | 77.4 Ų | 77.4 | 37% | 0.372 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | D28 R60 | D28-A30 PolarHBondContact O-N 2.62Å; D28-A30 PolarHBondContact OD1-N 2.84Å; A30-R60 WeakPolarHBondContact O-CD 3.44Å; A30-R60 PolarHBondContact O-NH1 2.55Å |
| 31 | S | 97.1 | Very high | 96.7 | Very high | 23 Ų | 23 | 85 Ų | 85 | 16% | 0.161 | 45% | 0.451 | C | S | . | . | trans | -66.5 | 146.7 | 174.1 | 68.4 | 0 | 0 | 0 | 0 | 112 | I24 D28 I55 | I24-S31 WeakPolarHBondContact CG2-OG 3.2Å; D28-S31 WeakPolarHBondContact O-CB 3.46Å; D28-S31 PolarHBondContact O-N 3.46Å; D28-S31 VanDerWaalsContact O-N 3.08Å; D28-S31 PolarHBondContact O-OG 3.12Å; D28-S31 PolarHBondContact OD1-N 3.11Å; D28-S31 VanDerWaalsContact OD1-N 3.13Å; S31-I55 VanDerWaalsContact CA-O 3.31Å; S31-I55 WeakPolarHBondContact CA-O 3.33Å | ||
| 32 | I | 97.6 | Very high | 96.7 | Very high | 41 Ų | 41 | 85.6 Ų | 85.6 | 21% | 0.21 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 157.6 | 175.3 | 63.9 | -177.3 | 0 | 0 | 0 | 110.8 | I34 A54 I55 | I32-I34 HydrophobicContact CD1-CD1 3.48Å; I32-I34 VanDerWaalsContact CD1-CD1 3.48Å; I32-I34 HydrophobicContact CD1-CG1 3.95Å; I32-I34 HydrophobicContact CG1-CD1 4.3Å; I32-I34 HydrophobicContact CG1-CG1 4.31Å; I32-A54 WeakPolarHBondContact O-CA 3.5Å; I32-I55 HydrophobicContact CD1-CB 4.49Å; I32-I55 HydrophobicContact CG1-CB 4Å; I32-I55 PolarHBondContact N-O 2.77Å; I32-I55 PolarHBondContact O-N 3.12Å |
| 33 | Q | 97.6 | Very high | 96.7 | Very high | 105 Ų | 105 | 82.5 Ų | 82.5 | 49% | 0.491 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 122.3 | 166.8 | -173.4 | 168.6 | -36.3 | 0 | 0 | 107.7 | T52 Y53 | Q33-T52 HydrophobicContact CG-CG2 3.45Å; Q33-T52 VanDerWaalsContact CG-CG2 3.45Å; Q33-Y53 CarbonylContact C-O 3.58Å; Q33-Y53 WeakPolarHBondContact CA-O 3.28Å |
| 34 | I | 96.9 | Very high | 96.6 | Very high | 65 Ų | 65 | 79.8 Ų | 79.8 | 33% | 0.333 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 133.8 | -178.2 | -63.5 | 171.4 | 0 | 0 | 0 | 108.1 | I32 I36 T52 Y53 I69 | I32-I34 HydrophobicContact CD1-CD1 3.48Å; I32-I34 VanDerWaalsContact CD1-CD1 3.48Å; I32-I34 HydrophobicContact CD1-CG1 3.95Å; I32-I34 HydrophobicContact CG1-CD1 4.3Å; I32-I34 HydrophobicContact CG1-CG1 4.31Å; I34-I36 HydrophobicContact CG2-CG1 4.28Å; I34-T52 CarbonylContact O-C 3.57Å; I34-T52 WeakPolarHBondContact O-CA 3.35Å; I34-Y53 PolarHBondContact N-O 2.96Å; I34-Y53 PolarHBondContact O-N 2.86Å; I34-I69 HydrophobicContact CD1-CD1 3.87Å |
| 35 | N | 97.6 | Very high | 96.6 | Very high | 95 Ų | 95 | 88.6 Ų | 88.6 | 51% | 0.508 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 121.5 | 170.6 | -65.3 | -22.2 | 0 | 0 | 0 | 108.8 | T52 | N35-T52 WeakPolarHBondContact OD1-CB 3.27Å; N35-T52 VanDerWaalsContact OD1-CG2 3.31Å; N35-T52 WeakPolarHBondContact OD1-CG2 3.45Å; N35-T52 PolarHBondContact OD1-OG1 3.28Å |
| 36 | I | 96.4 | Very high | 96.6 | Very high | 43 Ų | 43 | 92.9 Ų | 92.9 | 22% | 0.221 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 121 | 172.6 | -53.9 | -163.4 | 0 | 0 | 0 | 108.3 | I34 S50 K51 Y53 V78 | I34-I36 HydrophobicContact CG2-CG1 4.28Å; I36-S50 CarbonylContact O-C 3.48Å; I36-S50 WeakPolarHBondContact O-CA 3.48Å; I36-S50 WeakPolarHBondContact O-CB 3.37Å; I36-K51 PolarHBondContact N-O 3.46Å; I36-K51 PolarHBondContact O-N 3.24Å; I36-Y53 HydrophobicContact CD1-CD2 3.93Å; I36-Y53 HydrophobicContact CD1-CE2 3.58Å; I36-Y53 HydrophobicContact CG1-CD2 4.09Å; I36-Y53 HydrophobicContact CG1-CE2 3.94Å; I36-V78 HydrophobicContact CG2-CG1 4.03Å |
| 37 | A | 96.9 | Very high | 96.5 | Very high | 56 Ų | 56 | 92.3 Ų | 92.3 | 46% | 0.463 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 132.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | F46 | A37-F46 HydrophobicContact CB-CD2 3.55Å; A37-F46 HydrophobicContact CB-CE2 3.66Å |
| 38 | E | 96.3 | Very high | 96.4 | Very high | 79 Ų | 79 | 86.4 Ų | 86.4 | 37% | 0.369 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 145.8 | 167.4 | -65.9 | -170.8 | 179.8 | 0 | 0 | 110.3 | F46 N47 Q49 | E38-F46 WeakPolarHBondContact O-CD2 3.46Å; E38-N47 WeakPolarHBondContact CB-ND2 3.18Å; E38-N47 WeakPolarHBondContact CB-OD1 3.43Å; E38-N47 PolarHBondContact O-N 2.87Å; E38-N47 VanDerWaalsContact O-N 3.12Å; E38-N47 PolarHBondContact O-OD1 2.71Å; E38-N47 VanDerWaalsContact O-OD1 3.11Å; E38-Q49 HydrophobicContact CB-CB 4.33Å; E38-Q49 PolarHBondContact N-O 2.85Å |
| 39 | V | 95.9 | Very high | 96.3 | Very high | 84 Ų | 84 | 90.1 Ų | 90.1 | 51% | 0.509 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 144.4 | -179.2 | -61.6 | 0 | 0 | 0 | 0 | 110.6 | R45 | V39-R45 CarbonylContact C-O 3.57Å; V39-R45 WeakPolarHBondContact CA-O 3.28Å |
| 40 | D | 95.2 | Very high | 96.3 | Very high | 63 Ų | 63 | 85.3 Ų | 85.3 | 34% | 0.337 | 47% | 0.468 | S | S | . | . | trans | -63 | 133.2 | 169.2 | 173.6 | -104.9 | 0 | 0 | 0 | 110.2 | V42 T43 G44 R45 | D40-V42 VanDerWaalsContact C-N 3.25Å; D40-V42 PolarHBondContact O-N 2.82Å; D40-V42 PolarHBondContact OD1-N 2.85Å; D40-V42 VanDerWaalsContact OD1-N 3.14Å; D40-T43 WeakPolarHBondContact CB-OG1 3.36Å; D40-T43 WeakPolarHBondContact OD1-CB 3.14Å; D40-T43 WeakPolarHBondContact OD1-CG2 3.34Å; D40-T43 PolarHBondContact OD1-N 3.21Å; D40-T43 PolarHBondContact OD1-OG1 3.38Å; D40-G44 VanDerWaalsContact O-CA 3.26Å; D40-G44 WeakPolarHBondContact O-CA 3.17Å; D40-G44 PolarHBondContact O-N 3.06Å; D40-R45 PolarHBondContact N-O 2.85Å | ||
| 41 | K | 93.1 | Very high | 96.2 | Very high | 209 Ų | 209 | 86.2 Ų | 86.2 | 91% | 0.909 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -22 | -171.2 | -65.7 | -177.6 | -179.1 | 177.4 | 0 | 113.6 | ||
| 42 | V | 96.3 | Very high | 96.2 | Very high | 136 Ų | 136 | 88.2 Ų | 88.2 | 82% | 0.824 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -46.4 | -176.8 | -178.5 | 0 | 0 | 0 | 0 | 110.7 | D40 | D40-V42 VanDerWaalsContact C-N 3.25Å; D40-V42 PolarHBondContact O-N 2.82Å; D40-V42 PolarHBondContact OD1-N 2.85Å; D40-V42 VanDerWaalsContact OD1-N 3.14Å |
| 43 | T | 95.9 | Very high | 96.2 | Very high | 84 Ų | 84 | 86.7 Ų | 86.7 | 52% | 0.515 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -17.4 | -173.2 | 63.4 | 0 | 0 | 0 | 0 | 113.6 | D40 R45 | D40-T43 WeakPolarHBondContact CB-OG1 3.36Å; D40-T43 WeakPolarHBondContact OD1-CB 3.14Å; D40-T43 WeakPolarHBondContact OD1-CG2 3.34Å; D40-T43 PolarHBondContact OD1-N 3.21Å; D40-T43 PolarHBondContact OD1-OG1 3.38Å; T43-R45 PolarHBondContact O-N 3.45Å; T43-R45 PolarHBondContact OG1-N 3.3Å |
| 44 | G | 95.1 | Very high | 96.2 | Very high | 51 Ų | 51 | 82.2 Ų | 82.2 | 53% | 0.526 | 45% | 0.447 | S | S | . | . | trans | 67.7 | 9.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | D40 | D40-G44 VanDerWaalsContact O-CA 3.26Å; D40-G44 WeakPolarHBondContact O-CA 3.17Å; D40-G44 PolarHBondContact O-N 3.06Å | ||
| 45 | R | 96.8 | Very high | 96.3 | Very high | 191 Ų | 191 | 79.1 Ų | 79.1 | 72% | 0.721 | 43% | 0.432 | S | S | * | . | trans | -89.3 | 152.6 | -178.8 | -67.1 | -179.5 | 175 | 166.6 | -1 | 110.9 | V39 D40 T43 N47 | V39-R45 CarbonylContact C-O 3.57Å; V39-R45 WeakPolarHBondContact CA-O 3.28Å; D40-R45 PolarHBondContact N-O 2.85Å; T43-R45 PolarHBondContact O-N 3.45Å; T43-R45 PolarHBondContact OG1-N 3.3Å; R45-N47 PolarHBondContact O-N 3.23Å | ||
| 46 | F | 97.2 | Very high | 96.3 | Very high | 130 Ų | 130 | 74.7 Ų | 74.7 | 57% | 0.57 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55.3 | 128.5 | 174 | 177.7 | -126.3 | 0 | 0 | 0 | 111 | A37 E38 G48 Q49 | A37-F46 HydrophobicContact CB-CD2 3.55Å; A37-F46 HydrophobicContact CB-CE2 3.66Å; E38-F46 WeakPolarHBondContact O-CD2 3.46Å; F46-G48 VanDerWaalsContact CE1-CA 3.47Å; F46-Q49 WeakPolarHBondContact CE2-O 3.35Å |
| 47 | N | 95.1 | Very high | 96.4 | Very high | 70 Ų | 70 | 73 Ų | 73 | 37% | 0.374 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 3.2 | -176 | 69.6 | 5.5 | 0 | 0 | 0 | 113.7 | E38 R45 Q49 | E38-N47 WeakPolarHBondContact CB-ND2 3.18Å; E38-N47 WeakPolarHBondContact CB-OD1 3.43Å; E38-N47 PolarHBondContact O-N 2.87Å; E38-N47 VanDerWaalsContact O-N 3.12Å; E38-N47 PolarHBondContact O-OD1 2.71Å; E38-N47 VanDerWaalsContact O-OD1 3.11Å; R45-N47 PolarHBondContact O-N 3.23Å; N47-Q49 VanDerWaalsContact C-N 3.32Å; N47-Q49 WeakPolarHBondContact OD1-CA 3.38Å; N47-Q49 WeakPolarHBondContact OD1-CB 3.22Å; N47-Q49 PolarHBondContact OD1-N 2.8Å; N47-Q49 PolarHBondContact OD1-O 3.46Å |
| 48 | G | 95.2 | Very high | 96.4 | Very high | 47 Ų | 47 | 71.1 Ų | 71.1 | 49% | 0.485 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 88.9 | -13 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | F46 | F46-G48 VanDerWaalsContact CE1-CA 3.47Å |
| 49 | Q | 96 | Very high | 96.4 | Very high | 123 Ų | 123 | 68.3 Ų | 68.3 | 58% | 0.575 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 151.9 | 178.7 | -58.2 | -59.7 | -39.2 | 0 | 0 | 111.1 | E38 F46 N47 | E38-Q49 HydrophobicContact CB-CB 4.33Å; E38-Q49 PolarHBondContact N-O 2.85Å; F46-Q49 WeakPolarHBondContact CE2-O 3.35Å; N47-Q49 VanDerWaalsContact C-N 3.32Å; N47-Q49 WeakPolarHBondContact OD1-CA 3.38Å; N47-Q49 WeakPolarHBondContact OD1-CB 3.22Å; N47-Q49 PolarHBondContact OD1-N 2.8Å; N47-Q49 PolarHBondContact OD1-O 3.46Å |
| 50 | S | 96.8 | Very high | 96.5 | Very high | 51 Ų | 51 | 69.5 Ų | 69.5 | 36% | 0.357 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 147.9 | 177 | 67 | 0 | 0 | 0 | 0 | 111.3 | I36 | I36-S50 CarbonylContact O-C 3.48Å; I36-S50 WeakPolarHBondContact O-CA 3.48Å; I36-S50 WeakPolarHBondContact O-CB 3.37Å |
| 51 | K | 95.8 | Very high | 96.6 | Very high | 65 Ų | 65 | 76.8 Ų | 76.8 | 28% | 0.283 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 123.1 | 173.7 | -155.7 | 142.2 | -170.1 | -178.1 | 0 | 109.9 | I36 Y53 D76 | I36-K51 PolarHBondContact N-O 3.46Å; I36-K51 PolarHBondContact O-N 3.24Å; K51-Y53 HydrophobicContact CG-CE1 4.45Å; K51-D76 HydrophobicContact CD-CB 3.98Å; K51-D76 WeakPolarHBondContact CE-OD1 3.49Å; K51-D76 WeakPolarHBondContact CE-OD2 3.42Å; K51-D76 VanDerWaalsContact NZ-CB 3.34Å; K51-D76 IonicContact NZ-OD1 2.71Å; K51-D76 PolarHBondContact NZ-OD1 3.04Å; K51-D76 IonicContact NZ-OD2 3.46Å; K51-D76 PolarHBondContact NZ-OD2 2.77Å |
| 52 | T | 97.1 | Very high | 96.8 | Very high | 65 Ų | 65 | 72.4 Ų | 72.4 | 40% | 0.399 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 129.5 | -173.7 | -58.1 | 0 | 0 | 0 | 0 | 111.3 | Q33 I34 N35 | Q33-T52 HydrophobicContact CG-CG2 3.45Å; Q33-T52 VanDerWaalsContact CG-CG2 3.45Å; I34-T52 CarbonylContact O-C 3.57Å; I34-T52 WeakPolarHBondContact O-CA 3.35Å; N35-T52 WeakPolarHBondContact OD1-CB 3.27Å; N35-T52 VanDerWaalsContact OD1-CG2 3.31Å; N35-T52 WeakPolarHBondContact OD1-CG2 3.45Å; N35-T52 PolarHBondContact OD1-OG1 3.28Å |
| 53 | Y | 97.6 | Very high | 96.8 | Very high | 9 Ų | 9 | 68.2 Ų | 68.2 | 4% | 0.035 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 140.3 | 171.1 | -56 | -67.1 | 0 | 0 | 0 | 110.8 | Q33 I34 I36 K51 L72 D76 | Q33-Y53 CarbonylContact C-O 3.58Å; Q33-Y53 WeakPolarHBondContact CA-O 3.28Å; I34-Y53 PolarHBondContact N-O 2.96Å; I34-Y53 PolarHBondContact O-N 2.86Å; I36-Y53 HydrophobicContact CD1-CD2 3.93Å; I36-Y53 HydrophobicContact CD1-CE2 3.58Å; I36-Y53 HydrophobicContact CG1-CD2 4.09Å; I36-Y53 HydrophobicContact CG1-CE2 3.94Å; K51-Y53 HydrophobicContact CG-CE1 4.45Å; Y53-L72 HydrophobicContact CD1-CB 4.12Å; Y53-L72 HydrophobicContact CD1-CD1 3.89Å; Y53-L72 HydrophobicContact CD1-CG 4.45Å; Y53-L72 HydrophobicContact CE1-CB 3.79Å; Y53-L72 HydrophobicContact CE1-CD1 4.41Å; Y53-L72 HydrophobicContact CE1-CG 4.49Å; Y53-L72 HydrophobicContact CG-CD1 4.33Å; Y53-D76 VanDerWaalsContact CE1-OD2 3.28Å; Y53-D76 WeakPolarHBondContact CE1-OD2 3.44Å; Y53-D76 WeakPolarHBondContact OH-CB 3.38Å; Y53-D76 PolarHBondContact OH-OD2 3.24Å |
| 54 | A | 98 | Very high | 96.9 | Very high | 10 Ų | 10 | 69 Ų | 69 | 8% | 0.083 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 124.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | C17 S18 I24 I32 | C17-A54 CarbonylContact C-O 3.59Å; C17-A54 WeakPolarHBondContact CA-O 3.41Å; S18-A54 PolarHBondContact N-O 3.3Å; S18-A54 PolarHBondContact OG-N 2.92Å; S18-A54 PolarHBondContact OG-O 3.36Å; I24-A54 HydrophobicContact CD1-CB 3.85Å; I32-A54 WeakPolarHBondContact O-CA 3.5Å |
| 55 | I | 98.2 | Very high | 97 | Very high | 1 Ų | 1 | 67.5 Ų | 67.5 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 126.7 | 177.3 | -52.7 | -62.4 | 0 | 0 | 0 | 108.5 | A19 S31 I32 I59 R60 I69 L72 | A19-I55 HydrophobicContact CB-CD1 3.99Å; S31-I55 VanDerWaalsContact CA-O 3.31Å; S31-I55 WeakPolarHBondContact CA-O 3.33Å; I32-I55 HydrophobicContact CD1-CB 4.49Å; I32-I55 HydrophobicContact CG1-CB 4Å; I32-I55 PolarHBondContact N-O 2.77Å; I32-I55 PolarHBondContact O-N 3.12Å; I55-I59 HydrophobicContact CG2-CB 3.93Å; I55-I59 HydrophobicContact CG2-CG2 3.87Å; I55-R60 HydrophobicContact CG2-CG 3.87Å; I55-I69 HydrophobicContact CD1-CG1 4.38Å; I55-I69 HydrophobicContact CG1-CG1 4.31Å; I55-L72 HydrophobicContact CD1-CD1 4.27Å |
| 56 | C | 97.9 | Very high | 97 | Very high | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.014 | 34% | 0.335 | C | S | . | . | trans | -74.7 | 154.6 | 177.7 | 65.4 | 0 | 0 | 0 | 0 | 111.8 | C17 I24 A58 I59 R60 | C17-C56 HydrophobicContact CB-CB 3.92Å; C17-C56 PolarHBondContact SG-N 3.22Å; C17-C56 VanDerWaalsContact SG-N 3.38Å; C17-C56 VanDerWaalsContact SG-SG 3.62Å; I24-C56 HydrophobicContact CG1-CB 3.86Å; C56-A58 PolarHBondContact O-N 3.34Å; C56-I59 PolarHBondContact O-N 2.75Å; C56-R60 PolarHBondContact O-N 3.37Å | ||
| 57 | G | 97.6 | Very high | 97 | Very high | 6 Ų | 6 | 61.6 Ų | 61.6 | 6% | 0.062 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.9 | -27.9 | -178 | 0 | 0 | 0 | 0 | 0 | 113.6 | D28 R60 R61 | D28-G57 WeakPolarHBondContact OD1-CA 3.23Å; D28-G57 PolarHBondContact OD1-N 3.24Å; D28-G57 PolarHBondContact OD2-N 3.17Å; G57-R60 PolarHBondContact O-N 2.96Å; G57-R61 WeakPolarHBondContact O-CB 3.49Å; G57-R61 PolarHBondContact O-N 2.79Å |
| 58 | A | 97.1 | Very high | 97.1 | Very high | 18 Ų | 18 | 58.7 Ų | 58.7 | 15% | 0.149 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.8 | -45.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R22 C56 R61 M62 | R22-A58 VanDerWaalsContact NH1-CB 3.31Å; C56-A58 PolarHBondContact O-N 3.34Å; A58-R61 PolarHBondContact O-N 3.5Å; A58-M62 WeakPolarHBondContact O-CG 3.45Å; A58-M62 PolarHBondContact O-N 3.09Å |
| 59 | I | 97.2 | Very high | 97.2 | Very high | 19 Ų | 19 | 58.4 Ų | 58.4 | 10% | 0.097 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.4 | -42.6 | 177.5 | -64.9 | -66.4 | 0 | 0 | 0 | 110.2 | I55 C56 R61 M62 G63 E64 | I55-I59 HydrophobicContact CG2-CB 3.93Å; I55-I59 HydrophobicContact CG2-CG2 3.87Å; C56-I59 PolarHBondContact O-N 2.75Å; I59-R61 VanDerWaalsContact C-N 3.34Å; I59-R61 PolarHBondContact O-N 2.81Å; I59-M62 HydrophobicContact CD1-CE 3.36Å; I59-M62 HydrophobicContact CG1-CE 4.32Å; I59-M62 PolarHBondContact O-N 2.78Å; I59-G63 PolarHBondContact O-N 3.07Å; I59-E64 HydrophobicContact CG2-CB 4.19Å; I59-E64 PolarHBondContact O-N 2.95Å |
| 60 | R | 97.3 | Very high | 97.2 | Very high | 109 Ų | 109 | 55.2 Ų | 55.2 | 41% | 0.411 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.3 | -40.9 | 177.3 | -66.6 | -178.4 | 70.2 | -155.3 | 1.4 | 113.2 | A30 I55 C56 G57 M62 G63 | A30-R60 WeakPolarHBondContact O-CD 3.44Å; A30-R60 PolarHBondContact O-NH1 2.55Å; I55-R60 HydrophobicContact CG2-CG 3.87Å; C56-R60 PolarHBondContact O-N 3.37Å; G57-R60 PolarHBondContact O-N 2.96Å; R60-M62 VanDerWaalsContact C-N 3.29Å; R60-M62 PolarHBondContact O-N 3.39Å; R60-G63 PolarHBondContact O-N 3.07Å |
| 61 | R | 97.3 | Very high | 97.2 | Very high | 217 Ų | 217 | 58.5 Ų | 58.5 | 82% | 0.819 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -68.1 | -29.1 | 178.1 | -176 | 174.9 | 59.6 | -167.8 | -1.8 | 112.9 | G57 A58 I59 G63 | G57-R61 WeakPolarHBondContact O-CB 3.49Å; G57-R61 PolarHBondContact O-N 2.79Å; A58-R61 PolarHBondContact O-N 3.5Å; I59-R61 VanDerWaalsContact C-N 3.34Å; I59-R61 PolarHBondContact O-N 2.81Å; R61-G63 PolarHBondContact O-N 2.82Å |
| 62 | M | 96.9 | Very high | 97.2 | Very high | 117 Ų | 117 | 56.4 Ų | 56.4 | 58% | 0.576 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -74.8 | -13.6 | 176.2 | -68.7 | -175.3 | -53.9 | 0 | 0 | 113.1 | A58 I59 R60 E64 | A58-M62 WeakPolarHBondContact O-CG 3.45Å; A58-M62 PolarHBondContact O-N 3.09Å; I59-M62 HydrophobicContact CD1-CE 3.36Å; I59-M62 HydrophobicContact CG1-CE 4.32Å; I59-M62 PolarHBondContact O-N 2.78Å; R60-M62 VanDerWaalsContact C-N 3.29Å; R60-M62 PolarHBondContact O-N 3.39Å; M62-E64 VanDerWaalsContact C-N 3.28Å; M62-E64 HydrophobicContact CB-CG 4.05Å |
| 63 | G | 96.9 | Very high | 97.2 | Very high | 48 Ų | 48 | 53.5 Ų | 53.5 | 50% | 0.495 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.5 | -13.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | I59 R60 R61 S65 | I59-G63 PolarHBondContact O-N 3.07Å; R60-G63 PolarHBondContact O-N 3.07Å; R61-G63 PolarHBondContact O-N 2.82Å; G63-S65 PolarHBondContact O-N 2.99Å |
| 64 | E | 97.4 | Very high | 97.1 | Very high | 99 Ų | 99 | 55.8 Ų | 55.8 | 46% | 0.463 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | 15.8 | -176.4 | -58.2 | -60.9 | 154.7 | 0 | 0 | 114.8 | I59 M62 S68 | I59-E64 HydrophobicContact CG2-CB 4.19Å; I59-E64 PolarHBondContact O-N 2.95Å; M62-E64 VanDerWaalsContact C-N 3.28Å; M62-E64 HydrophobicContact CB-CG 4.05Å; E64-S68 VanDerWaalsContact O-CB 3.23Å; E64-S68 WeakPolarHBondContact O-CB 3.41Å; E64-S68 PolarHBondContact O-N 2.9Å; E64-S68 PolarHBondContact O-OG 3.38Å |
| 65 | S | 97.1 | Very high | 96.9 | Very high | 21 Ų | 21 | 59.3 Ų | 59.3 | 15% | 0.147 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -75.7 | -35.6 | -175.1 | -171.5 | 0 | 0 | 0 | 0 | 112.6 | G63 I69 | G63-S65 PolarHBondContact O-N 2.99Å; S65-I69 WeakPolarHBondContact O-CD1 3.31Å; S65-I69 VanDerWaalsContact O-CG1 3.28Å; S65-I69 WeakPolarHBondContact O-CG1 3.48Å; S65-I69 PolarHBondContact O-N 3.4Å |
| 66 | D | 97.1 | Very high | 96.7 | Very high | 118 Ų | 118 | 62.3 Ų | 62.3 | 63% | 0.631 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -72.2 | -48 | -179.1 | 71.3 | -51.3 | 0 | 0 | 0 | 110.5 | S68 I69 L70 | D66-S68 VanDerWaalsContact C-N 3.3Å; D66-S68 PolarHBondContact O-N 3.43Å; D66-I69 PolarHBondContact O-N 3.19Å; D66-I69 VanDerWaalsContact O-N 3.12Å; D66-L70 WeakPolarHBondContact O-CB 3.49Å; D66-L70 PolarHBondContact O-N 2.95Å |
| 67 | D | 97 | Very high | 96.5 | Very high | 79 Ų | 79 | 65 Ų | 65 | 42% | 0.422 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58 | -44.9 | 176.3 | 178.7 | 69.1 | 0 | 0 | 0 | 111 | I69 L70 R71 | D67-I69 VanDerWaalsContact C-N 3.33Å; D67-I69 PolarHBondContact O-N 3.45Å; D67-L70 PolarHBondContact O-N 3.47Å; D67-R71 WeakPolarHBondContact O-CB 3.33Å; D67-R71 PolarHBondContact O-N 2.99Å |
| 68 | S | 97.2 | Very high | 96.3 | Very high | 9 Ų | 9 | 68.1 Ų | 68.1 | 6% | 0.063 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -57.1 | -44.7 | 176.4 | -70.7 | 0 | 0 | 0 | 0 | 112.5 | E64 D66 L72 | E64-S68 VanDerWaalsContact O-CB 3.23Å; E64-S68 WeakPolarHBondContact O-CB 3.41Å; E64-S68 PolarHBondContact O-N 2.9Å; E64-S68 PolarHBondContact O-OG 3.38Å; D66-S68 VanDerWaalsContact C-N 3.3Å; D66-S68 PolarHBondContact O-N 3.43Å; S68-L72 WeakPolarHBondContact O-CB 3.47Å; S68-L72 WeakPolarHBondContact O-CD1 3.33Å; S68-L72 WeakPolarHBondContact O-CG 3.4Å; S68-L72 PolarHBondContact O-N 2.97Å |
| 69 | I | 96.9 | Very high | 96.2 | Very high | 41 Ų | 41 | 69.1 Ų | 69.1 | 21% | 0.21 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -69.2 | -43.1 | 179 | -70 | 169 | 0 | 0 | 0 | 110.3 | I34 I55 S65 D66 D67 R71 L72 A73 | I34-I69 HydrophobicContact CD1-CD1 3.87Å; I55-I69 HydrophobicContact CD1-CG1 4.38Å; I55-I69 HydrophobicContact CG1-CG1 4.31Å; S65-I69 WeakPolarHBondContact O-CD1 3.31Å; S65-I69 VanDerWaalsContact O-CG1 3.28Å; S65-I69 WeakPolarHBondContact O-CG1 3.48Å; S65-I69 PolarHBondContact O-N 3.4Å; D66-I69 PolarHBondContact O-N 3.19Å; D66-I69 VanDerWaalsContact O-N 3.12Å; D67-I69 VanDerWaalsContact C-N 3.33Å; D67-I69 PolarHBondContact O-N 3.45Å; I69-R71 VanDerWaalsContact C-N 3.34Å; I69-R71 PolarHBondContact O-N 3.42Å; I69-L72 PolarHBondContact O-N 2.86Å; I69-A73 WeakPolarHBondContact O-CB 3.27Å; I69-A73 PolarHBondContact O-N 3.43Å |
| 70 | L | 96.8 | Very high | 96 | Very high | 55 Ų | 55 | 71 Ų | 71 | 29% | 0.288 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58.8 | -47.1 | 177.8 | 177.7 | 61.2 | 0 | 0 | 0 | 111 | D66 D67 A73 K74 V79 F83 | D66-L70 WeakPolarHBondContact O-CB 3.49Å; D66-L70 PolarHBondContact O-N 2.95Å; D67-L70 PolarHBondContact O-N 3.47Å; L70-A73 PolarHBondContact O-N 3.36Å; L70-K74 HydrophobicContact CD1-CG 4.38Å; L70-K74 WeakPolarHBondContact O-CB 3.44Å; L70-K74 WeakPolarHBondContact O-CG 3.42Å; L70-K74 PolarHBondContact O-N 3.2Å; L70-V79 HydrophobicContact CD1-CG1 4.07Å; L70-V79 HydrophobicContact CD1-CG2 4.25Å; L70-F83 HydrophobicContact CD1-CD1 4.07Å; L70-F83 HydrophobicContact CD1-CE1 4.06Å; L70-F83 HydrophobicContact CD2-CD1 4.4Å; L70-F83 HydrophobicContact CD2-CE1 4.05Å |
| 71 | R | 96.2 | Very high | 95.7 | Very high | 121 Ų | 121 | 74.9 Ų | 74.9 | 46% | 0.457 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.7 | -44.9 | 177.8 | -175.1 | 179.1 | 60.7 | 78.4 | -2.3 | 112 | A19 D67 I69 A75 | A19-R71 PolarHBondContact O-NH2 2.74Å; D67-R71 WeakPolarHBondContact O-CB 3.33Å; D67-R71 PolarHBondContact O-N 2.99Å; I69-R71 VanDerWaalsContact C-N 3.34Å; I69-R71 PolarHBondContact O-N 3.42Å; R71-A75 WeakPolarHBondContact O-CB 3.24Å; R71-A75 PolarHBondContact O-N 2.69Å |
| 72 | L | 96.6 | Very high | 95.3 | Very high | 21 Ų | 21 | 71.7 Ų | 71.7 | 11% | 0.11 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -63.2 | -47 | 176.6 | -72.3 | 168.9 | 0 | 0 | 0 | 111.2 | Y53 I55 S68 I69 K74 A75 D76 | Y53-L72 HydrophobicContact CD1-CB 4.12Å; Y53-L72 HydrophobicContact CD1-CD1 3.89Å; Y53-L72 HydrophobicContact CD1-CG 4.45Å; Y53-L72 HydrophobicContact CE1-CB 3.79Å; Y53-L72 HydrophobicContact CE1-CD1 4.41Å; Y53-L72 HydrophobicContact CE1-CG 4.49Å; Y53-L72 HydrophobicContact CG-CD1 4.33Å; I55-L72 HydrophobicContact CD1-CD1 4.27Å; S68-L72 WeakPolarHBondContact O-CB 3.47Å; S68-L72 WeakPolarHBondContact O-CD1 3.33Å; S68-L72 WeakPolarHBondContact O-CG 3.4Å; S68-L72 PolarHBondContact O-N 2.97Å; I69-L72 PolarHBondContact O-N 2.86Å; L72-K74 PolarHBondContact O-N 3.17Å; L72-A75 WeakPolarHBondContact O-CB 3.44Å; L72-A75 PolarHBondContact O-N 3.43Å; L72-D76 WeakPolarHBondContact O-CB 3.31Å; L72-D76 PolarHBondContact O-N 2.94Å |
| 73 | A | 96.2 | Very high | 94.3 | Very high | 4 Ų | 4 | 74.3 Ų | 74.3 | 3% | 0.033 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -64.4 | -36.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I69 L70 G77 V78 V79 | I69-A73 WeakPolarHBondContact O-CB 3.27Å; I69-A73 PolarHBondContact O-N 3.43Å; L70-A73 PolarHBondContact O-N 3.36Å; A73-G77 PolarHBondContact O-N 3.46Å; A73-G77 VanDerWaalsContact O-N 3.17Å; A73-V78 HydrophobicContact CB-CB 4.1Å; A73-V78 HydrophobicContact CB-CG1 4.45Å; A73-V78 WeakPolarHBondContact O-CB 3.16Å; A73-V78 PolarHBondContact O-N 2.94Å; A73-V79 HydrophobicContact CB-CB 4.48Å; A73-V79 HydrophobicContact CB-CG2 3.78Å; A73-V79 PolarHBondContact O-N 3.31Å; A73-V79 VanDerWaalsContact O-N 3.17Å |
| 74 | K | 95.9 | Very high | 94.2 | Very high | 56 Ų | 56 | 75.7 Ų | 75.7 | 24% | 0.243 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -64.6 | -45.7 | 171.1 | -77.4 | -174.7 | -175.5 | -171 | 0 | 111.7 | L70 L72 D76 G77 V79 F83 | L70-K74 HydrophobicContact CD1-CG 4.38Å; L70-K74 WeakPolarHBondContact O-CB 3.44Å; L70-K74 WeakPolarHBondContact O-CG 3.42Å; L70-K74 PolarHBondContact O-N 3.2Å; L72-K74 PolarHBondContact O-N 3.17Å; K74-D76 PolarHBondContact O-N 3.39Å; K74-G77 PolarHBondContact O-N 3.16Å; K74-G77 VanDerWaalsContact O-N 3.14Å; K74-V79 HydrophobicContact CG-CB 3.8Å; K74-V79 HydrophobicContact CG-CG1 3.76Å; K74-F83 PolarHBondContact NZ-O 3.19Å; K74-F83 PolarHBondContact NZ-OXT 3.13Å |
| 75 | A | 94.4 | Very high | 94.1 | Very high | 84 Ų | 84 | 74.4 Ų | 74.4 | 69% | 0.694 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -60.6 | -38.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R71 L72 G77 | R71-A75 WeakPolarHBondContact O-CB 3.24Å; R71-A75 PolarHBondContact O-N 2.69Å; L72-A75 WeakPolarHBondContact O-CB 3.44Å; L72-A75 PolarHBondContact O-N 3.43Å; A75-G77 VanDerWaalsContact C-N 3.29Å; A75-G77 PolarHBondContact O-N 3.1Å |
| 76 | D | 94.4 | Very high | 93.9 | Very high | 65 Ų | 65 | 77.4 Ų | 77.4 | 35% | 0.348 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | 5 | 179.7 | -76.9 | -37.4 | 0 | 0 | 0 | 114.5 | K51 Y53 L72 K74 V78 | K51-D76 HydrophobicContact CD-CB 3.98Å; K51-D76 WeakPolarHBondContact CE-OD1 3.49Å; K51-D76 WeakPolarHBondContact CE-OD2 3.42Å; K51-D76 VanDerWaalsContact NZ-CB 3.34Å; K51-D76 IonicContact NZ-OD1 2.71Å; K51-D76 PolarHBondContact NZ-OD1 3.04Å; K51-D76 IonicContact NZ-OD2 3.46Å; K51-D76 PolarHBondContact NZ-OD2 2.77Å; Y53-D76 VanDerWaalsContact CE1-OD2 3.28Å; Y53-D76 WeakPolarHBondContact CE1-OD2 3.44Å; Y53-D76 WeakPolarHBondContact OH-CB 3.38Å; Y53-D76 PolarHBondContact OH-OD2 3.24Å; L72-D76 WeakPolarHBondContact O-CB 3.31Å; L72-D76 PolarHBondContact O-N 2.94Å; K74-D76 PolarHBondContact O-N 3.39Å; D76-V78 HydrophobicContact CB-CG2 4.41Å; D76-V78 PolarHBondContact O-N 3.22Å |
| 77 | G | 93.1 | Very high | 93.7 | Very high | 57 Ų | 57 | 75 Ų | 75 | 59% | 0.588 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.9 | 14.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | A73 K74 A75 | A73-G77 PolarHBondContact O-N 3.46Å; A73-G77 VanDerWaalsContact O-N 3.17Å; K74-G77 PolarHBondContact O-N 3.16Å; K74-G77 VanDerWaalsContact O-N 3.14Å; A75-G77 VanDerWaalsContact C-N 3.29Å; A75-G77 PolarHBondContact O-N 3.1Å |
| 78 | V | 93.1 | Very high | 93.5 | Very high | 72 Ų | 72 | 74.8 Ų | 74.8 | 44% | 0.436 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -75 | -41.1 | 173.9 | 177.8 | 0 | 0 | 0 | 0 | 110.2 | I36 A73 D76 | I36-V78 HydrophobicContact CG2-CG1 4.03Å; A73-V78 HydrophobicContact CB-CB 4.1Å; A73-V78 HydrophobicContact CB-CG1 4.45Å; A73-V78 WeakPolarHBondContact O-CB 3.16Å; A73-V78 PolarHBondContact O-N 2.94Å; D76-V78 HydrophobicContact CB-CG2 4.41Å; D76-V78 PolarHBondContact O-N 3.22Å |
| 79 | V | 95.1 | Very high | 93.2 | Very high | 40 Ų | 40 | 79.1 Ų | 79.1 | 24% | 0.242 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -99.9 | 143 | 173.5 | 176.1 | 0 | 0 | 0 | 0 | 109 | L70 A73 K74 F83 | L70-V79 HydrophobicContact CD1-CG1 4.07Å; L70-V79 HydrophobicContact CD1-CG2 4.25Å; A73-V79 HydrophobicContact CB-CB 4.48Å; A73-V79 HydrophobicContact CB-CG2 3.78Å; A73-V79 PolarHBondContact O-N 3.31Å; A73-V79 VanDerWaalsContact O-N 3.17Å; K74-V79 HydrophobicContact CG-CB 3.8Å; K74-V79 HydrophobicContact CG-CG1 3.76Å; V79-F83 HydrophobicContact CG1-CB 4.05Å; V79-F83 HydrophobicContact CG1-CD1 4.37Å; V79-F83 HydrophobicContact CG1-CG 4.25Å |
| 80 | A | 93.3 | Very high | 93 | Very high | 57 Ų | 57 | 81.9 Ų | 81.9 | 47% | 0.471 | 45% | 0.45 | S | S | . | . | trans | -61 | 141.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | N82 F83 | A80-N82 WeakPolarHBondContact CB-OD1 3.42Å; A80-N82 PolarHBondContact O-N 3.08Å; A80-F83 WeakPolarHBondContact O-CB 3.36Å; A80-F83 PolarHBondContact O-N 3.32Å | ||
| 81 | K | 90.1 | Very high | 92.7 | Very high | 192 Ų | 192 | 83.9 Ų | 83.9 | 84% | 0.835 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -19.5 | -175.1 | -66.3 | -173.9 | 178.7 | -177.9 | 0 | 114.1 | ||
| 82 | N | 89.6 | Confident | 92.4 | Very high | 149 Ų | 149 | 80.8 Ų | 80.8 | 80% | 0.797 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | 7.1 | -178.8 | 61.6 | -34.9 | 0 | 0 | 0 | 113.5 | A80 | A80-N82 WeakPolarHBondContact CB-OD1 3.42Å; A80-N82 PolarHBondContact O-N 3.08Å |
| 83 | F | 76.8 | Confident | 92 | Very high | 173 Ų | 173 | 86.3 Ų | 86.3 | 76% | 0.759 | 50% | 0.495 | S | S | * | . | trans | -77.9 | 0 | 169.5 | -171.3 | -95.2 | 0 | 0 | 0 | 111.2 | L70 K74 V79 A80 | L70-F83 HydrophobicContact CD1-CD1 4.07Å; L70-F83 HydrophobicContact CD1-CE1 4.06Å; L70-F83 HydrophobicContact CD2-CD1 4.4Å; L70-F83 HydrophobicContact CD2-CE1 4.05Å; K74-F83 PolarHBondContact NZ-O 3.19Å; K74-F83 PolarHBondContact NZ-OXT 3.13Å; V79-F83 HydrophobicContact CG1-CB 4.05Å; V79-F83 HydrophobicContact CG1-CD1 4.37Å; V79-F83 HydrophobicContact CG1-CG 4.25Å; A80-F83 WeakPolarHBondContact O-CB 3.36Å; A80-F83 PolarHBondContact O-N 3.32Å |
Retrieved 83 of 83 residues in 165.9 ms
(Link to these results)