| 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 | 46.9 | Very low | 74.4 | Confident | 227 Ų | 227 | 74.6 Ų | 74.6 | 100% | 1.118 | 39% | 0.394 | S | S | * | . | 0 | 149.1 | 0 | -67.6 | 84.7 | 170 | 0 | 0 | 108.7 | E3 | M1-E3 PolarHBondContact O-N 3.02Š| |||
| 2 | A | 48.7 | Very low | 74.8 | Confident | 56 Ų | 56 | 70.6 Ų | 70.6 | 46% | 0.463 | 37% | 0.374 | S | S | . | . | trans | -70.7 | 114.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | F24 | A2-F24 HydrophobicContact CB-CD1 4.37Å; A2-F24 HydrophobicContact CB-CE1 3.57Å; A2-F24 HydrophobicContact CB-CE2 4.46Å; A2-F24 HydrophobicContact CB-CZ 3.63Å | ||
| 3 | E | 65.7 | Low | 74.9 | Confident | 81 Ų | 81 | 68.6 Ų | 68.6 | 38% | 0.379 | 36% | 0.364 | S | S | . | . | trans | -83.6 | 134.6 | -178.4 | -42.3 | 176.6 | 125.5 | 0 | 0 | 108.2 | M1 G5 N6 R43 | M1-E3 PolarHBondContact O-N 3.02Å; E3-G5 PolarHBondContact O-N 3.44Å; E3-N6 WeakPolarHBondContact CB-ND2 3.27Å; E3-N6 WeakPolarHBondContact O-CB 3.42Å; E3-N6 PolarHBondContact O-N 3.35Å; E3-N6 PolarHBondContact OE2-ND2 3.26Å; E3-R43 IonicContact OE1-CZ 3.38Å; E3-R43 IonicContact OE1-NH1 3.3Å; E3-R43 PolarHBondContact OE1-NH1 3.35Å; E3-R43 IonicContact OE1-NH2 3.75Å; E3-R43 PolarHBondContact OE1-NH2 2.89Å; E3-R43 IonicContact OE2-CZ 3.85Å; E3-R43 IonicContact OE2-NH1 2.73Å; E3-R43 PolarHBondContact OE2-NH1 2.75Å; E3-R43 IonicContact OE2-NH2 2.65Å; E3-R43 PolarHBondContact OE2-NH2 3.02Å; E3-R43 VanDerWaalsContact OE2-NH2 3.11Å | ||
| 4 | V | 68.9 | Low | 75.2 | Confident | 126 Ų | 126 | 69 Ų | 69 | 76% | 0.764 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 130 | -179.6 | 142.4 | 0 | 0 | 0 | 0 | 109.8 | L46 | V4-L46 HydrophobicContact CG1-CD2 4.38Š|
| 5 | G | 76.5 | Confident | 75.7 | Confident | 28 Ų | 28 | 72.9 Ų | 72.9 | 29% | 0.289 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85 | -2 | 176 | 0 | 0 | 0 | 0 | 0 | 115.9 | E3 H54 | E3-G5 PolarHBondContact O-N 3.44Å; G5-H54 WeakPolarHBondContact O-CB 3.09Å; G5-H54 PolarHBondContact O-ND1 3.46Å |
| 6 | N | 85.9 | Confident | 76.4 | Confident | 26 Ų | 26 | 69.4 Ų | 69.4 | 14% | 0.139 | 38% | 0.384 | C | S | . | . | trans | -68.3 | 141 | 175.6 | -74.3 | 1.3 | 0 | 0 | 0 | 111.8 | E3 F24 R25 W40 H54 | E3-N6 WeakPolarHBondContact CB-ND2 3.27Å; E3-N6 WeakPolarHBondContact O-CB 3.42Å; E3-N6 PolarHBondContact O-N 3.35Å; E3-N6 PolarHBondContact OE2-ND2 3.26Å; N6-F24 HydrophobicContact CB-CD1 4.31Å; N6-R25 WeakPolarHBondContact O-CB 3.41Å; N6-R25 PolarHBondContact O-N 3.03Å; N6-W40 PolarHBondContact OD1-NE1 3.27Å; N6-H54 WeakPolarHBondContact CA-O 3.38Å | ||
| 7 | D | 86.8 | Confident | 77 | Confident | 6 Ų | 6 | 75.1 Ų | 75.1 | 3% | 0.032 | 41% | 0.411 | C | S | . | . | B | Isolated β-bridge | trans | -65.8 | 142.7 | 174.4 | -74.1 | -29.4 | 0 | 0 | 0 | 111.4 | Y9 V12 R25 R53 H54 M55 | D7-Y9 PolarHBondContact O-N 3.37Å; D7-Y9 VanDerWaalsContact O-N 3.14Å; D7-V12 HydrophobicContact CB-CG2 3.86Å; D7-R25 IonicContact OD1-CZ 2.81Å; D7-R25 IonicContact OD1-NE 3.41Å; D7-R25 PolarHBondContact OD1-NE 3.35Å; D7-R25 IonicContact OD1-NH2 3.42Å; D7-R25 PolarHBondContact OD1-NH2 3.29Å; D7-R25 IonicContact OD2-NH2 2.73Å; D7-R25 PolarHBondContact OD2-NH2 2.99Å; D7-R53 WeakPolarHBondContact OD2-CA 3.48Å; D7-R53 WeakPolarHBondContact OD2-CG 3.45Å; D7-H54 PolarHBondContact N-O 3.26Å; D7-H54 PolarHBondContact OD2-N 2.81Å; D7-M55 HydrophobicContact CB-CB 4.2Å |
| 8 | C | 87.5 | Confident | 77.5 | Confident | 3 Ų | 3 | 78.3 Ų | 78.3 | 2% | 0.02 | 42% | 0.421 | C | S | . | . | trans | -69.3 | 114.1 | 171 | -177.5 | 0 | 0 | 0 | 0 | 109.2 | F10 F11 V12 C16 F24 R25 H26 | C8-F10 PolarHBondContact O-N 3.31Å; C8-F11 HydrophobicContact CB-CB 3.64Å; C8-F11 PolarHBondContact O-N 3.44Å; C8-F11 VanDerWaalsContact O-N 3.08Å; C8-F11 PolarHBondContact SG-N 2.83Å; C8-V12 WeakPolarHBondContact O-CG2 3.29Å; C8-V12 PolarHBondContact O-N 3.23Å; C8-C16 VanDerWaalsContact SG-SG 3.62Å; C8-F24 VanDerWaalsContact CA-CB 3.48Å; C8-F24 HydrophobicContact CB-CB 3.56Å; C8-R25 PolarHBondContact N-O 3.5Å; C8-H26 WeakPolarHBondContact CB-CD2 3.49Å; C8-H26 VanDerWaalsContact CB-NE2 3.33Å; C8-H26 WeakPolarHBondContact CB-NE2 3.49Å; C8-H26 PolarHBondContact SG-NE2 3.38Å | ||
| 9 | Y | 83.1 | Confident | 77.8 | Confident | 98 Ų | 98 | 76.1 Ų | 76.1 | 38% | 0.384 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -50.2 | -46.2 | 175.2 | 178.9 | -93 | 0 | 0 | 0 | 112.2 | D7 V12 N13 M55 S78 | D7-Y9 PolarHBondContact O-N 3.37Å; D7-Y9 VanDerWaalsContact O-N 3.14Å; Y9-V12 PolarHBondContact O-N 3.07Å; Y9-N13 WeakPolarHBondContact O-CB 3.42Å; Y9-N13 PolarHBondContact O-N 3.26Å; Y9-N13 PolarHBondContact O-ND2 3.29Å; Y9-M55 HydrophobicContact CD2-CE 4.07Å; Y9-M55 HydrophobicContact CD2-SD 3.76Å; Y9-M55 HydrophobicContact CG-SD 4.44Å; Y9-S78 WeakPolarHBondContact OH-CB 3.3Å |
| 10 | F | 84.3 | Confident | 78 | Confident | 124 Ų | 124 | 78.8 Ų | 78.8 | 54% | 0.544 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -67.9 | -38.8 | -179.6 | -67.9 | -74.6 | 0 | 0 | 0 | 112.2 | C8 S14 C16 | C8-F10 PolarHBondContact O-N 3.31Å; F10-S14 CarbonylContact O-C 3.09Å; F10-S14 WeakPolarHBondContact O-CA 3.25Å; F10-S14 WeakPolarHBondContact O-CB 3.45Å; F10-S14 PolarHBondContact O-N 3.44Å; F10-C16 HydrophobicContact CB-CB 4.15Å |
| 11 | F | 83.9 | Confident | 78.3 | Confident | 46 Ų | 46 | 82.9 Ų | 82.9 | 20% | 0.202 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -65.6 | -42.1 | 176.9 | -174.8 | -103.6 | 0 | 0 | 0 | 111.7 | C8 N13 C16 H26 E28 L31 | C8-F11 HydrophobicContact CB-CB 3.64Å; C8-F11 PolarHBondContact O-N 3.44Å; C8-F11 VanDerWaalsContact O-N 3.08Å; C8-F11 PolarHBondContact SG-N 2.83Å; F11-N13 PolarHBondContact O-N 3.27Å; F11-C16 HydrophobicContact CB-CB 4.12Å; F11-H26 VanDerWaalsContact CB-CD2 3.4Å; F11-H26 WeakPolarHBondContact CB-CD2 3.43Å; F11-H26 HydrophobicContact CD1-CB 3.83Å; F11-H26 HydrophobicContact CD2-CB 3.88Å; F11-H26 AromaticContact CD2-CD2 3.86Å; F11-H26 AromaticContact CD2-CG 3.57Å; F11-H26 AromaticContact CD2-ND1 3.75Å; F11-H26 HydrophobicContact CE1-CB 3.78Å; F11-H26 HydrophobicContact CE2-CB 3.85Å; F11-H26 AromaticContact CE2-CG 3.99Å; F11-H26 HydrophobicContact CG-CB 3.87Å; F11-H26 AromaticContact CG-CD2 3.52Å; F11-H26 AromaticContact CG-CG 3.6Å; F11-H26 HydrophobicContact CZ-CB 3.8Å; F11-E28 HydrophobicContact CZ-CG 4.01Å; F11-L31 HydrophobicContact CD1-CD1 3.67Å; F11-L31 HydrophobicContact CE1-CD1 3.5Å; F11-L31 HydrophobicContact CG-CD1 4.46Å; F11-L31 HydrophobicContact CZ-CD1 4.18Å; F11-L31 WeakPolarHBondContact O-CD1 3.48Å |
| 12 | V | 79.9 | Confident | 80.2 | Confident | 26 Ų | 26 | 73 Ų | 73 | 16% | 0.158 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -68.8 | -33.7 | -179.9 | 174 | 0 | 0 | 0 | 0 | 112.4 | D7 C8 Y9 M55 | D7-V12 HydrophobicContact CB-CG2 3.86Å; C8-V12 WeakPolarHBondContact O-CG2 3.29Å; C8-V12 PolarHBondContact O-N 3.23Å; Y9-V12 PolarHBondContact O-N 3.07Å; V12-M55 HydrophobicContact CB-CE 4.34Å; V12-M55 HydrophobicContact CG1-CE 4.18Å |
| 13 | N | 75.7 | Confident | 81.9 | Confident | 45 Ų | 45 | 81.3 Ų | 81.3 | 24% | 0.241 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -108.2 | -14.7 | -172.9 | -66.2 | -96.2 | 0 | 0 | 0 | 114.2 | Y9 F11 S78 | Y9-N13 WeakPolarHBondContact O-CB 3.42Å; Y9-N13 PolarHBondContact O-N 3.26Å; Y9-N13 PolarHBondContact O-ND2 3.29Å; F11-N13 PolarHBondContact O-N 3.27Å; N13-S78 WeakPolarHBondContact OD1-CB 3.4Å; N13-S78 PolarHBondContact OD1-OG 3.41Å |
| 14 | S | 79.1 | Confident | 83 | Confident | 74 Ų | 74 | 81.3 Ų | 81.3 | 52% | 0.517 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -166 | -162.3 | -166.8 | -65.9 | 0 | 0 | 0 | 0 | 111.4 | F10 | F10-S14 CarbonylContact O-C 3.09Å; F10-S14 WeakPolarHBondContact O-CA 3.25Å; F10-S14 WeakPolarHBondContact O-CB 3.45Å; F10-S14 PolarHBondContact O-N 3.44Å |
| 15 | T | 82.1 | Confident | 83.8 | Confident | 127 Ų | 127 | 76.5 Ų | 76.5 | 78% | 0.779 | 40% | 0.398 | S | S | * | . | trans | -90.8 | 119.3 | 172.2 | -51.9 | 0 | 0 | 0 | 0 | 110.8 | I17 | T15-I17 PolarHBondContact O-N 3.23Š| ||
| 16 | C | 87 | Confident | 84.4 | Confident | 17 Ų | 17 | 78.1 Ų | 78.1 | 12% | 0.115 | 40% | 0.398 | C | S | . | . | trans | -78.9 | 111.4 | 172.4 | -175.8 | 0 | 0 | 0 | 0 | 111.1 | C8 F10 F11 K18 G19 C22 H26 | C8-C16 VanDerWaalsContact SG-SG 3.62Å; F10-C16 HydrophobicContact CB-CB 4.15Å; F11-C16 HydrophobicContact CB-CB 4.12Å; C16-K18 PolarHBondContact O-N 3.28Å; C16-G19 PolarHBondContact O-N 3.3Å; C16-C22 VanDerWaalsContact SG-SG 3.7Å; C16-H26 PolarHBondContact SG-CE1 3.3Å; C16-H26 PolarHBondContact SG-NE2 3.35Å; C16-H26 VanDerWaalsContact SG-NE2 3.36Å | ||
| 17 | I | 87.8 | Confident | 84.2 | Confident | 166 Ų | 166 | 77.3 Ų | 77.3 | 85% | 0.851 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -13.7 | 179 | 62.9 | 170.8 | 0 | 0 | 0 | 114.1 | T15 G19 | T15-I17 PolarHBondContact O-N 3.23Å; I17-G19 VanDerWaalsContact C-N 3.28Å; I17-G19 PolarHBondContact O-N 3.5Å |
| 18 | K | 85.6 | Confident | 83.8 | Confident | 133 Ų | 133 | 84.7 Ų | 84.7 | 58% | 0.578 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -13.3 | -179.6 | -61 | -168.7 | 177.7 | -153.3 | 0 | 112.8 | C16 S20 Q21 C22 | C16-K18 PolarHBondContact O-N 3.28Å; K18-S20 PolarHBondContact O-N 2.8Å; K18-Q21 WeakPolarHBondContact O-CA 3.17Å; K18-Q21 WeakPolarHBondContact O-CB 3.36Å; K18-Q21 PolarHBondContact O-N 3.48Å; K18-C22 HydrophobicContact CB-CB 3.88Å; K18-C22 PolarHBondContact O-N 2.88Å |
| 19 | G | 82.8 | Confident | 83.2 | Confident | 37 Ų | 37 | 91.5 Ų | 91.5 | 38% | 0.381 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | 49 | -128.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | C16 I17 Q21 C22 H26 | C16-G19 PolarHBondContact O-N 3.3Å; I17-G19 VanDerWaalsContact C-N 3.28Å; I17-G19 PolarHBondContact O-N 3.5Å; G19-Q21 VanDerWaalsContact C-N 3.26Å; G19-Q21 PolarHBondContact O-N 2.73Å; G19-C22 VanDerWaalsContact O-CB 3.29Å; G19-C22 WeakPolarHBondContact O-CB 3.42Å; G19-C22 PolarHBondContact O-N 2.86Å; G19-H26 PolarHBondContact O-CE1 3.21Å |
| 20 | S | 81.6 | Confident | 82.5 | Confident | 130 Ų | 130 | 86.8 Ų | 86.8 | 91% | 0.909 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -69.5 | -16 | 178.5 | 54.4 | 0 | 0 | 0 | 0 | 114.7 | K18 C22 | K18-S20 PolarHBondContact O-N 2.8Å; S20-C22 VanDerWaalsContact C-N 3.28Å |
| 21 | Q | 85.4 | Confident | 81.8 | Confident | 164 Ų | 164 | 85.1 Ų | 85.1 | 77% | 0.766 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -86.9 | 1.2 | 174.9 | -61.3 | -172.2 | -16.2 | 0 | 0 | 112.6 | K18 G19 R23 | K18-Q21 WeakPolarHBondContact O-CA 3.17Å; K18-Q21 WeakPolarHBondContact O-CB 3.36Å; K18-Q21 PolarHBondContact O-N 3.48Å; G19-Q21 VanDerWaalsContact C-N 3.26Å; G19-Q21 PolarHBondContact O-N 2.73Å; Q21-R23 PolarHBondContact O-N 2.74Å |
| 22 | C | 86.1 | Confident | 80.7 | Confident | 20 Ų | 20 | 86.4 Ų | 86.4 | 14% | 0.135 | 46% | 0.464 | C | S | . | . | trans | -65.9 | 125.5 | 175.9 | -163.5 | 0 | 0 | 0 | 0 | 110.2 | C16 K18 G19 S20 F24 H26 | C16-C22 VanDerWaalsContact SG-SG 3.7Å; K18-C22 HydrophobicContact CB-CB 3.88Å; K18-C22 PolarHBondContact O-N 2.88Å; G19-C22 VanDerWaalsContact O-CB 3.29Å; G19-C22 WeakPolarHBondContact O-CB 3.42Å; G19-C22 PolarHBondContact O-N 2.86Å; S20-C22 VanDerWaalsContact C-N 3.28Å; C22-F24 PolarHBondContact O-N 2.97Å; C22-H26 WeakPolarHBondContact CB-CE1 3.44Å; C22-H26 VanDerWaalsContact CB-NE2 3.34Å; C22-H26 WeakPolarHBondContact CB-NE2 3.36Å; C22-H26 PolarHBondContact SG-NE2 3.43Å | ||
| 23 | R | 85.3 | Confident | 79.9 | Confident | 231 Ų | 231 | 86.6 Ų | 86.6 | 87% | 0.872 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -78.3 | -1.9 | 178 | -57.7 | 173 | 99.7 | 136.1 | 1.7 | 112.8 | Q21 | Q21-R23 PolarHBondContact O-N 2.74Š|
| 24 | F | 87 | Confident | 79.6 | Confident | 81 Ų | 81 | 90 Ų | 90 | 36% | 0.355 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -109.4 | 154 | -178.9 | -61 | -82.6 | 0 | 0 | 0 | 109.5 | A2 N6 C8 C22 H26 | A2-F24 HydrophobicContact CB-CD1 4.37Å; A2-F24 HydrophobicContact CB-CE1 3.57Å; A2-F24 HydrophobicContact CB-CE2 4.46Å; A2-F24 HydrophobicContact CB-CZ 3.63Å; N6-F24 HydrophobicContact CB-CD1 4.31Å; C8-F24 VanDerWaalsContact CA-CB 3.48Å; C8-F24 HydrophobicContact CB-CB 3.56Å; C22-F24 PolarHBondContact O-N 2.97Å; F24-H26 PolarHBondContact O-N 2.87Å |
| 25 | R | 86.9 | Confident | 79.7 | Confident | 24 Ų | 24 | 90.4 Ų | 90.4 | 9% | 0.091 | 48% | 0.484 | C | S | . | . | B | Isolated β-bridge | trans | -67.9 | 130.4 | -175.4 | -167.6 | 178.3 | 75.4 | 147.6 | 6.1 | 111.1 | N6 D7 C8 C27 D47 P48 C50 F52 H54 | N6-R25 WeakPolarHBondContact O-CB 3.41Å; N6-R25 PolarHBondContact O-N 3.03Å; D7-R25 IonicContact OD1-CZ 2.81Å; D7-R25 IonicContact OD1-NE 3.41Å; D7-R25 PolarHBondContact OD1-NE 3.35Å; D7-R25 IonicContact OD1-NH2 3.42Å; D7-R25 PolarHBondContact OD1-NH2 3.29Å; D7-R25 IonicContact OD2-NH2 2.73Å; D7-R25 PolarHBondContact OD2-NH2 2.99Å; C8-R25 PolarHBondContact N-O 3.5Å; R25-C27 HydrophobicContact CG-CB 4.32Å; R25-D47 PolarHBondContact NH1-O 2.99Å; R25-P48 WeakPolarHBondContact CD-O 3.38Å; R25-C50 PolarHBondContact NH1-O 3.47Å; R25-C50 PolarHBondContact NH2-O 2.96Å; R25-F52 PolarHBondContact NH2-O 3.18Å; R25-H54 PolarHBondContact NH1-CE1 2.84Å; R25-H54 VanDerWaalsContact NH1-CE1 3.31Å; R25-H54 PolarHBondContact NH1-ND1 2.71Å |
| 26 | H | 87.9 | Confident | 79.9 | Confident | 63 Ų | 63 | 85.7 Ų | 85.7 | 29% | 0.292 | 46% | 0.455 | S | S | . | . | trans | -111.8 | 91 | 170.4 | -68.9 | 178.5 | 0 | 0 | 0 | 107.9 | C8 F11 C16 G19 C22 F24 | C8-H26 WeakPolarHBondContact CB-CD2 3.49Å; C8-H26 VanDerWaalsContact CB-NE2 3.33Å; C8-H26 WeakPolarHBondContact CB-NE2 3.49Å; C8-H26 PolarHBondContact SG-NE2 3.38Å; F11-H26 VanDerWaalsContact CB-CD2 3.4Å; F11-H26 WeakPolarHBondContact CB-CD2 3.43Å; F11-H26 HydrophobicContact CD1-CB 3.83Å; F11-H26 HydrophobicContact CD2-CB 3.88Å; F11-H26 AromaticContact CD2-CD2 3.86Å; F11-H26 AromaticContact CD2-CG 3.57Å; F11-H26 AromaticContact CD2-ND1 3.75Å; F11-H26 HydrophobicContact CE1-CB 3.78Å; F11-H26 HydrophobicContact CE2-CB 3.85Å; F11-H26 AromaticContact CE2-CG 3.99Å; F11-H26 HydrophobicContact CG-CB 3.87Å; F11-H26 AromaticContact CG-CD2 3.52Å; F11-H26 AromaticContact CG-CG 3.6Å; F11-H26 HydrophobicContact CZ-CB 3.8Å; C16-H26 PolarHBondContact SG-CE1 3.3Å; C16-H26 PolarHBondContact SG-NE2 3.35Å; C16-H26 VanDerWaalsContact SG-NE2 3.36Å; G19-H26 PolarHBondContact O-CE1 3.21Å; C22-H26 WeakPolarHBondContact CB-CE1 3.44Å; C22-H26 VanDerWaalsContact CB-NE2 3.34Å; C22-H26 WeakPolarHBondContact CB-NE2 3.36Å; C22-H26 PolarHBondContact SG-NE2 3.43Å; F24-H26 PolarHBondContact O-N 2.87Å | ||
| 27 | C | 82.6 | Confident | 80 | Confident | 9 Ų | 9 | 85.1 Ų | 85.1 | 6% | 0.061 | 45% | 0.451 | C | S | . | . | trans | -112.1 | 113.9 | 178.6 | -178.1 | 0 | 0 | 0 | 0 | 109.2 | R25 E29 A30 L31 | R25-C27 HydrophobicContact CG-CB 4.32Å; C27-E29 VanDerWaalsContact C-N 3.28Å; C27-E29 PolarHBondContact O-N 3.06Å; C27-A30 HydrophobicContact CB-CB 4.04Å; C27-A30 PolarHBondContact O-N 3.22Å; C27-L31 PolarHBondContact O-N 3.18Å | ||
| 28 | E | 78.9 | Confident | 80 | Confident | 161 Ų | 161 | 81.2 Ų | 81.2 | 75% | 0.752 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -65.6 | -32.3 | 179.5 | -65.5 | -176.4 | 117.6 | 0 | 0 | 111.9 | F11 A30 L31 | F11-E28 HydrophobicContact CZ-CG 4.01Å; E28-A30 VanDerWaalsContact C-N 3.25Å; E28-A30 PolarHBondContact O-N 3.2Å; E28-L31 WeakPolarHBondContact O-CB 3.45Å; E28-L31 PolarHBondContact O-N 3.43Å |
| 29 | E | 73.6 | Confident | 80.2 | Confident | 145 Ų | 145 | 79.3 Ų | 79.3 | 68% | 0.678 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -69.4 | -24 | 177.3 | -61.3 | -148.6 | 94.6 | 0 | 0 | 113.2 | C27 L31 R51 | C27-E29 VanDerWaalsContact C-N 3.28Å; C27-E29 PolarHBondContact O-N 3.06Å; E29-L31 VanDerWaalsContact C-N 3.32Å; E29-R51 HydrophobicContact CB-CB 4.24Å |
| 30 | A | 69.7 | Low | 80.5 | Confident | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 42% | 0.42 | C | S | . | . | G | 310 helix | trans | -83.2 | -11.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | C27 E28 G32 S33 | C27-A30 HydrophobicContact CB-CB 4.04Å; C27-A30 PolarHBondContact O-N 3.22Å; E28-A30 VanDerWaalsContact C-N 3.25Å; E28-A30 PolarHBondContact O-N 3.2Å; A30-G32 PolarHBondContact O-N 3.38Å; A30-S33 PolarHBondContact O-N 3.28Å |
| 31 | L | 69.3 | Low | 80.8 | Confident | 89 Ų | 89 | 79.1 Ų | 79.1 | 47% | 0.466 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | 113.5 | -179.4 | -141.3 | 96.1 | 0 | 0 | 0 | 109.2 | F11 C27 E28 E29 | F11-L31 HydrophobicContact CD1-CD1 3.67Å; F11-L31 HydrophobicContact CE1-CD1 3.5Å; F11-L31 HydrophobicContact CG-CD1 4.46Å; F11-L31 HydrophobicContact CZ-CD1 4.18Å; F11-L31 WeakPolarHBondContact O-CD1 3.48Å; C27-L31 PolarHBondContact O-N 3.18Å; E28-L31 WeakPolarHBondContact O-CB 3.45Å; E28-L31 PolarHBondContact O-N 3.43Å; E29-L31 VanDerWaalsContact C-N 3.32Å |
| 32 | G | 59.7 | Low | 80.9 | Confident | 72 Ų | 72 | 76.2 Ų | 76.2 | 74% | 0.742 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.6 | -9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | A30 D34 | A30-G32 PolarHBondContact O-N 3.38Å; G32-D34 PolarHBondContact O-N 3.03Å |
| 33 | S | 64.3 | Low | 80.9 | Confident | 30 Ų | 30 | 82.1 Ų | 82.1 | 21% | 0.21 | 41% | 0.408 | C | S | . | . | trans | -72 | 114.4 | 168.8 | -177.3 | 0 | 0 | 0 | 0 | 109.4 | A30 T35 R53 | A30-S33 PolarHBondContact O-N 3.28Å; S33-T35 PolarHBondContact O-N 2.76Å; S33-R53 PolarHBondContact O-NE 3.3Å; S33-R53 PolarHBondContact O-NH2 2.88Å | ||
| 34 | D | 68.9 | Low | 81 | Confident | 116 Ų | 116 | 77.7 Ų | 77.7 | 62% | 0.62 | 40% | 0.395 | S | S | * | . | trans | -79 | -8.6 | 175.3 | -158.5 | -121.5 | 0 | 0 | 0 | 112.8 | G32 V36 R53 | G32-D34 PolarHBondContact O-N 3.03Å; D34-V36 PolarHBondContact O-N 3.25Å; D34-R53 IonicContact OD2-CZ 2.8Å; D34-R53 IonicContact OD2-NH1 3.99Å; D34-R53 PolarHBondContact OD2-NH1 3.42Å; D34-R53 IonicContact OD2-NH2 3.18Å | ||
| 35 | T | 80.2 | Confident | 81 | Confident | 83 Ų | 83 | 74.6 Ų | 74.6 | 51% | 0.509 | 38% | 0.383 | S | S | . | . | trans | -84.2 | 116.1 | -178.2 | -52.2 | 0 | 0 | 0 | 0 | 111 | S33 F52 R53 | S33-T35 PolarHBondContact O-N 2.76Å; T35-F52 HydrophobicContact CG2-CD1 3.96Å; T35-F52 HydrophobicContact CG2-CE1 4.19Å; T35-R53 PolarHBondContact O-N 2.87Å | ||
| 36 | V | 86.6 | Confident | 80.8 | Confident | 28 Ų | 28 | 80.1 Ų | 80.1 | 17% | 0.17 | 41% | 0.414 | C | S | . | . | B | Isolated β-bridge | trans | -71.8 | 134.1 | 171.4 | -179.5 | 0 | 0 | 0 | 0 | 109.7 | D34 S38 W40 R53 | D34-V36 PolarHBondContact O-N 3.25Å; V36-S38 PolarHBondContact O-N 3.4Å; V36-W40 HydrophobicContact CG1-CE3 3.57Å; V36-W40 HydrophobicContact CG1-CZ3 3.46Å; V36-W40 VanDerWaalsContact CG1-CZ3 3.46Å; V36-R53 CarbonylContact C-O 3.6Å; V36-R53 WeakPolarHBondContact CA-O 3.39Å |
| 37 | C | 89.3 | Confident | 80.7 | Confident | 6 Ų | 6 | 81 Ų | 81 | 4% | 0.041 | 42% | 0.42 | C | S | . | . | trans | -64.1 | 114.4 | 175.8 | 178.4 | 0 | 0 | 0 | 0 | 110.5 | L39 W40 R41 F52 R53 H54 | C37-L39 VanDerWaalsContact C-N 3.3Å; C37-L39 PolarHBondContact O-N 3.44Å; C37-W40 HydrophobicContact CB-CB 3.63Å; C37-W40 WeakPolarHBondContact O-CB 3.14Å; C37-W40 PolarHBondContact O-N 3.36Å; C37-W40 PolarHBondContact SG-N 3.08Å; C37-R41 PolarHBondContact O-N 3.47Å; C37-F52 HydrophobicContact CB-CB 3.53Å; C37-R53 PolarHBondContact N-O 2.78Å; C37-H54 VanDerWaalsContact CB-CD2 3.41Å; C37-H54 WeakPolarHBondContact CB-CD2 3.35Å | ||
| 38 | S | 89.1 | Confident | 80.4 | Confident | 83 Ų | 83 | 84.7 Ų | 84.7 | 58% | 0.58 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -60.7 | -40 | 178.1 | -57.9 | 0 | 0 | 0 | 0 | 112.2 | V36 W40 R41 E42 | V36-S38 PolarHBondContact O-N 3.4Å; S38-W40 VanDerWaalsContact C-N 3.33Å; S38-W40 PolarHBondContact O-N 3.38Å; S38-R41 WeakPolarHBondContact O-CB 3.35Å; S38-R41 PolarHBondContact O-N 3.36Å; S38-E42 WeakPolarHBondContact O-CG 3.34Å; S38-E42 PolarHBondContact O-N 2.73Å; S38-E42 VanDerWaalsContact O-N 3.08Å |
| 39 | L | 89.6 | Confident | 80.6 | Confident | 93 Ų | 93 | 83.1 Ų | 83.1 | 49% | 0.487 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.4 | -34 | 177.7 | -65.3 | 176.2 | 0 | 0 | 0 | 112.2 | C37 E42 R43 K44 C45 | C37-L39 VanDerWaalsContact C-N 3.3Å; C37-L39 PolarHBondContact O-N 3.44Å; L39-E42 CarbonylContact O-C 3.56Å; L39-E42 PolarHBondContact O-N 2.93Å; L39-R43 PolarHBondContact O-N 3.5Å; L39-K44 HydrophobicContact CB-CB 4.45Å; L39-K44 HydrophobicContact CD2-CB 4.44Å; L39-K44 WeakPolarHBondContact O-CA 3.44Å; L39-K44 PolarHBondContact O-N 3.08Å; L39-C45 HydrophobicContact CB-CB 3.76Å; L39-C45 PolarHBondContact O-N 3.23Å |
| 40 | W | 89.4 | Confident | 81.2 | Confident | 21 Ų | 21 | 76.8 Ų | 76.8 | 8% | 0.08 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -67.4 | -42.2 | 173.6 | 165.1 | 80.7 | 0 | 0 | 0 | 111.1 | N6 V36 C37 S38 E42 R43 C45 H54 M55 E56 | N6-W40 PolarHBondContact OD1-NE1 3.27Å; V36-W40 HydrophobicContact CG1-CE3 3.57Å; V36-W40 HydrophobicContact CG1-CZ3 3.46Å; V36-W40 VanDerWaalsContact CG1-CZ3 3.46Å; C37-W40 HydrophobicContact CB-CB 3.63Å; C37-W40 WeakPolarHBondContact O-CB 3.14Å; C37-W40 PolarHBondContact O-N 3.36Å; C37-W40 PolarHBondContact SG-N 3.08Å; S38-W40 VanDerWaalsContact C-N 3.33Å; S38-W40 PolarHBondContact O-N 3.38Å; W40-E42 PolarHBondContact O-N 3.44Å; W40-R43 WeakPolarHBondContact O-CA 3.33Å; W40-R43 PolarHBondContact O-N 3.31Å; W40-C45 HydrophobicContact CB-CB 3.92Å; W40-H54 AromaticContact CD1-CG 3.44Å; W40-H54 VanDerWaalsContact CD1-CG 3.44Å; W40-H54 AromaticContact CD1-ND1 3.6Å; W40-H54 VanDerWaalsContact CD2-CA 3.49Å; W40-H54 HydrophobicContact CD2-CB 3.97Å; W40-H54 HydrophobicContact CG-CB 3.75Å; W40-H54 AromaticContact CG-CD2 3.72Å; W40-H54 AromaticContact CG-CG 3.55Å; W40-H54 WeakPolarHBondContact CZ2-O 3.49Å; W40-M55 VanDerWaalsContact CH2-CA 3.4Å; W40-E56 HydrophobicContact CH2-CG 3.72Å; W40-E56 HydrophobicContact CZ3-CG 3.79Å |
| 41 | R | 86.1 | Confident | 81.9 | Confident | 143 Ų | 143 | 84.6 Ų | 84.6 | 54% | 0.54 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -58.9 | -34.3 | 175.5 | -173.8 | -179.2 | -81 | 159.8 | -2.9 | 111.6 | C37 S38 R43 E56 | C37-R41 PolarHBondContact O-N 3.47Å; S38-R41 WeakPolarHBondContact O-CB 3.35Å; S38-R41 PolarHBondContact O-N 3.36Å; R41-R43 VanDerWaalsContact C-N 3.3Å; R41-R43 PolarHBondContact O-N 3.22Å; R41-E56 IonicContact CZ-OE1 2.79Å; R41-E56 VanDerWaalsContact CZ-OE1 3.27Å; R41-E56 IonicContact NE-OE1 3.11Å; R41-E56 PolarHBondContact NE-OE1 2.97Å; R41-E56 IonicContact NH2-OE1 2.97Å; R41-E56 PolarHBondContact NH2-OE1 3.49Å |
| 42 | E | 89 | Confident | 82.7 | Confident | 103 Ų | 103 | 84.2 Ų | 84.2 | 48% | 0.481 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 2.8 | 173.1 | -65.5 | -179.1 | 86.2 | 0 | 0 | 114.6 | S38 L39 W40 K44 | S38-E42 WeakPolarHBondContact O-CG 3.34Å; S38-E42 PolarHBondContact O-N 2.73Å; S38-E42 VanDerWaalsContact O-N 3.08Å; L39-E42 CarbonylContact O-C 3.56Å; L39-E42 PolarHBondContact O-N 2.93Å; W40-E42 PolarHBondContact O-N 3.44Å; E42-K44 HydrophobicContact CB-CD 3.94Å; E42-K44 HydrophobicContact CB-CG 4.11Å; E42-K44 PolarHBondContact O-N 3.47Å; E42-K44 IonicContact OE1-NZ 3.27Å; E42-K44 PolarHBondContact OE1-NZ 3.3Å |
| 43 | R | 85.3 | Confident | 83.9 | Confident | 144 Ų | 144 | 81.7 Ų | 81.7 | 54% | 0.543 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 22.5 | -173.7 | -54.5 | -66.6 | -169.4 | 174.1 | 1.5 | 115 | E3 L39 W40 R41 | E3-R43 IonicContact OE1-CZ 3.38Å; E3-R43 IonicContact OE1-NH1 3.3Å; E3-R43 PolarHBondContact OE1-NH1 3.35Å; E3-R43 IonicContact OE1-NH2 3.75Å; E3-R43 PolarHBondContact OE1-NH2 2.89Å; E3-R43 IonicContact OE2-CZ 3.85Å; E3-R43 IonicContact OE2-NH1 2.73Å; E3-R43 PolarHBondContact OE2-NH1 2.75Å; E3-R43 IonicContact OE2-NH2 2.65Å; E3-R43 PolarHBondContact OE2-NH2 3.02Å; E3-R43 VanDerWaalsContact OE2-NH2 3.11Å; L39-R43 PolarHBondContact O-N 3.5Å; W40-R43 WeakPolarHBondContact O-CA 3.33Å; W40-R43 PolarHBondContact O-N 3.31Å; R41-R43 VanDerWaalsContact C-N 3.3Å; R41-R43 PolarHBondContact O-N 3.22Å |
| 44 | K | 88.4 | Confident | 85.1 | Confident | 138 Ų | 138 | 80.3 Ų | 80.3 | 60% | 0.6 | 40% | 0.395 | S | S | * | . | trans | -99.2 | -18 | 179.6 | -65.8 | 172 | -175.4 | 166.2 | 0 | 113.3 | L39 E42 | L39-K44 HydrophobicContact CB-CB 4.45Å; L39-K44 HydrophobicContact CD2-CB 4.44Å; L39-K44 WeakPolarHBondContact O-CA 3.44Å; L39-K44 PolarHBondContact O-N 3.08Å; E42-K44 HydrophobicContact CB-CD 3.94Å; E42-K44 HydrophobicContact CB-CG 4.11Å; E42-K44 PolarHBondContact O-N 3.47Å; E42-K44 IonicContact OE1-NZ 3.27Å; E42-K44 PolarHBondContact OE1-NZ 3.3Å | ||
| 45 | C | 87.1 | Confident | 85.6 | Confident | 16 Ų | 16 | 76.2 Ų | 76.2 | 11% | 0.108 | 37% | 0.372 | C | S | . | . | trans | -87.6 | 118.2 | 177.2 | -163.9 | 0 | 0 | 0 | 0 | 111.1 | L39 W40 H54 | L39-C45 HydrophobicContact CB-CB 3.76Å; L39-C45 PolarHBondContact O-N 3.23Å; W40-C45 HydrophobicContact CB-CB 3.92Å; C45-H54 PolarHBondContact SG-CE1 3.47Å; C45-H54 PolarHBondContact SG-NE2 3.21Å; C45-H54 VanDerWaalsContact SG-NE2 3.41Å | ||
| 46 | L | 81.8 | Confident | 85.5 | Confident | 139 Ų | 139 | 77.5 Ų | 77.5 | 73% | 0.728 | 37% | 0.373 | S | S | * | . | trans | -115.6 | 4.4 | 174.7 | -59.9 | 175 | 0 | 0 | 0 | 112.2 | V4 P48 | V4-L46 HydrophobicContact CG1-CD2 4.38Å; L46-P48 VanDerWaalsContact O-CD 3.27Å; L46-P48 WeakPolarHBondContact O-CD 3.3Å | ||
| 47 | D | 84.9 | Confident | 84.6 | Confident | 81 Ų | 81 | 81.9 Ų | 81.9 | 43% | 0.433 | 39% | 0.392 | S | S | . | . | trans | -74.6 | 114.4 | -174.8 | 178.6 | 13.4 | 0 | 0 | 0 | 111.1 | R25 L49 C50 | R25-D47 PolarHBondContact NH1-O 2.99Å; D47-L49 PolarHBondContact O-N 2.65Å; D47-L49 PolarHBondContact OD1-N 2.94Å; D47-C50 HydrophobicContact CB-CB 4.01Å; D47-C50 WeakPolarHBondContact O-CB 3.46Å; D47-C50 PolarHBondContact O-N 3.02Å; D47-C50 PolarHBondContact OD2-N 3.44Å | ||
| 48 | P | 77.8 | Confident | 83.5 | Confident | 88 Ų | 88 | 87.8 Ų | 87.8 | 57% | 0.571 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -16.9 | 178.1 | 29.9 | -35.4 | 0 | 0 | 0 | 113 | R25 L46 | R25-P48 WeakPolarHBondContact CD-O 3.38Å; L46-P48 VanDerWaalsContact O-CD 3.27Å; L46-P48 WeakPolarHBondContact O-CD 3.3Å |
| 49 | L | 82.3 | Confident | 82.1 | Confident | 127 Ų | 127 | 92 Ų | 92 | 67% | 0.665 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | 11.1 | 177.6 | -61.9 | 177.5 | 0 | 0 | 0 | 112.8 | D47 R51 | D47-L49 PolarHBondContact O-N 2.65Å; D47-L49 PolarHBondContact OD1-N 2.94Å; L49-R51 PolarHBondContact O-N 2.85Å |
| 50 | C | 86.3 | Confident | 80.9 | Confident | 12 Ų | 12 | 90.4 Ų | 90.4 | 8% | 0.081 | 42% | 0.422 | C | S | . | . | trans | -60.9 | 115.4 | 178 | 170.6 | 0 | 0 | 0 | 0 | 110.7 | R25 D47 F52 H54 | R25-C50 PolarHBondContact NH1-O 3.47Å; R25-C50 PolarHBondContact NH2-O 2.96Å; D47-C50 HydrophobicContact CB-CB 4.01Å; D47-C50 WeakPolarHBondContact O-CB 3.46Å; D47-C50 PolarHBondContact O-N 3.02Å; D47-C50 PolarHBondContact OD2-N 3.44Å; C50-F52 PolarHBondContact O-N 2.95Å; C50-F52 VanDerWaalsContact O-N 3.07Å; C50-H54 PolarHBondContact SG-NE2 3.14Å | ||
| 51 | R | 85.2 | Confident | 79.8 | Confident | 164 Ų | 164 | 91.6 Ų | 91.6 | 62% | 0.619 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -60.3 | -10 | 177.3 | 61.5 | -178.7 | 152.3 | -175.2 | -7.9 | 115.9 | E29 L49 | E29-R51 HydrophobicContact CB-CB 4.24Å; L49-R51 PolarHBondContact O-N 2.85Å |
| 52 | F | 85.5 | Confident | 79.5 | Confident | 82 Ų | 82 | 89.6 Ų | 89.6 | 36% | 0.36 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -95.2 | 151.1 | 177.6 | -62.2 | -71.3 | 0 | 0 | 0 | 110.6 | R25 T35 C37 C50 H54 | R25-F52 PolarHBondContact NH2-O 3.18Å; T35-F52 HydrophobicContact CG2-CD1 3.96Å; T35-F52 HydrophobicContact CG2-CE1 4.19Å; C37-F52 HydrophobicContact CB-CB 3.53Å; C50-F52 PolarHBondContact O-N 2.95Å; C50-F52 VanDerWaalsContact O-N 3.07Å; F52-H54 PolarHBondContact O-CD2 3.29Å; F52-H54 VanDerWaalsContact O-CD2 3.3Å; F52-H54 PolarHBondContact O-N 3.41Å |
| 53 | R | 86.1 | Confident | 79.3 | Confident | 19 Ų | 19 | 90.1 Ų | 90.1 | 7% | 0.072 | 45% | 0.446 | C | S | . | . | B | Isolated β-bridge | trans | -70.1 | 130.5 | -175.9 | -168.7 | -176.1 | -68.8 | 166.3 | -3 | 111 | D7 S33 D34 T35 V36 C37 M55 | D7-R53 WeakPolarHBondContact OD2-CA 3.48Å; D7-R53 WeakPolarHBondContact OD2-CG 3.45Å; S33-R53 PolarHBondContact O-NE 3.3Å; S33-R53 PolarHBondContact O-NH2 2.88Å; D34-R53 IonicContact OD2-CZ 2.8Å; D34-R53 IonicContact OD2-NH1 3.99Å; D34-R53 PolarHBondContact OD2-NH1 3.42Å; D34-R53 IonicContact OD2-NH2 3.18Å; T35-R53 PolarHBondContact O-N 2.87Å; V36-R53 CarbonylContact C-O 3.6Å; V36-R53 WeakPolarHBondContact CA-O 3.39Å; C37-R53 PolarHBondContact N-O 2.78Å; R53-M55 HydrophobicContact CG-CB 4.26Å |
| 54 | H | 89.1 | Confident | 79.6 | Confident | 0 Ų | 0 | 87 Ų | 87 | 0% | 0 | 45% | 0.446 | C | S | . | . | trans | -103.8 | 50.7 | 175.4 | -73.1 | -166 | 0 | 0 | 0 | 110.4 | G5 N6 D7 R25 C37 W40 C45 C50 F52 | G5-H54 WeakPolarHBondContact O-CB 3.09Å; G5-H54 PolarHBondContact O-ND1 3.46Å; N6-H54 WeakPolarHBondContact CA-O 3.38Å; D7-H54 PolarHBondContact N-O 3.26Å; D7-H54 PolarHBondContact OD2-N 2.81Å; R25-H54 PolarHBondContact NH1-CE1 2.84Å; R25-H54 VanDerWaalsContact NH1-CE1 3.31Å; R25-H54 PolarHBondContact NH1-ND1 2.71Å; C37-H54 VanDerWaalsContact CB-CD2 3.41Å; C37-H54 WeakPolarHBondContact CB-CD2 3.35Å; W40-H54 AromaticContact CD1-CG 3.44Å; W40-H54 VanDerWaalsContact CD1-CG 3.44Å; W40-H54 AromaticContact CD1-ND1 3.6Å; W40-H54 VanDerWaalsContact CD2-CA 3.49Å; W40-H54 HydrophobicContact CD2-CB 3.97Å; W40-H54 HydrophobicContact CG-CB 3.75Å; W40-H54 AromaticContact CG-CD2 3.72Å; W40-H54 AromaticContact CG-CG 3.55Å; W40-H54 WeakPolarHBondContact CZ2-O 3.49Å; C45-H54 PolarHBondContact SG-CE1 3.47Å; C45-H54 PolarHBondContact SG-NE2 3.21Å; C45-H54 VanDerWaalsContact SG-NE2 3.41Å; C50-H54 PolarHBondContact SG-NE2 3.14Å; F52-H54 PolarHBondContact O-CD2 3.29Å; F52-H54 VanDerWaalsContact O-CD2 3.3Å; F52-H54 PolarHBondContact O-N 3.41Å | ||
| 55 | M | 79.4 | Confident | 79.7 | Confident | 31 Ų | 31 | 80.6 Ų | 80.6 | 15% | 0.153 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -158.5 | 137.2 | 176.2 | 177.9 | 173.9 | 67.1 | 0 | 0 | 108.4 | D7 Y9 V12 W40 R53 M57 | D7-M55 HydrophobicContact CB-CB 4.2Å; Y9-M55 HydrophobicContact CD2-CE 4.07Å; Y9-M55 HydrophobicContact CD2-SD 3.76Å; Y9-M55 HydrophobicContact CG-SD 4.44Å; V12-M55 HydrophobicContact CB-CE 4.34Å; V12-M55 HydrophobicContact CG1-CE 4.18Å; W40-M55 VanDerWaalsContact CH2-CA 3.4Å; R53-M55 HydrophobicContact CG-CB 4.26Å; M55-M57 PolarHBondContact O-N 3.29Å |
| 56 | E | 77.1 | Confident | 79.9 | Confident | 110 Ų | 110 | 86 Ų | 86 | 51% | 0.514 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -78.8 | 118.2 | 168.3 | -60.9 | -141.6 | 109.6 | 0 | 0 | 108.4 | W40 R41 Q58 | W40-E56 HydrophobicContact CH2-CG 3.72Å; W40-E56 HydrophobicContact CZ3-CG 3.79Å; R41-E56 IonicContact CZ-OE1 2.79Å; R41-E56 VanDerWaalsContact CZ-OE1 3.27Å; R41-E56 IonicContact NE-OE1 3.11Å; R41-E56 PolarHBondContact NE-OE1 2.97Å; R41-E56 IonicContact NH2-OE1 2.97Å; R41-E56 PolarHBondContact NH2-OE1 3.49Å; E56-Q58 PolarHBondContact O-N 2.79Å |
| 57 | M | 68.1 | Low | 80.4 | Confident | 119 Ų | 119 | 86.6 Ų | 86.6 | 59% | 0.586 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 123.1 | 163.7 | -172 | 163.2 | 144.1 | 0 | 0 | 106.4 | M55 Q59 | M55-M57 PolarHBondContact O-N 3.29Å; M57-Q59 PolarHBondContact O-N 2.84Å |
| 58 | Q | 65.4 | Low | 80.7 | Confident | 131 Ų | 131 | 84.8 Ų | 84.8 | 61% | 0.612 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -53.4 | 121.1 | 175.2 | -71.3 | -178.2 | 15.7 | 0 | 0 | 107.5 | E56 I80 | E56-Q58 PolarHBondContact O-N 2.79Å; Q58-I80 HydrophobicContact CB-CB 4.45Å; Q58-I80 HydrophobicContact CB-CG2 3.72Å; Q58-I80 VanDerWaalsContact OE1-CD1 3.29Å |
| 59 | Q | 59.8 | Low | 81.2 | Confident | 171 Ų | 171 | 85.6 Ų | 85.6 | 80% | 0.799 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -54.8 | 147.8 | -178.6 | -65 | -173.1 | 5.4 | 0 | 0 | 109.1 | M57 C61 | M57-Q59 PolarHBondContact O-N 2.84Å; Q59-C61 PolarHBondContact O-N 3.27Å |
| 60 | N | 64.3 | Low | 81.7 | Confident | 60 Ų | 60 | 82.7 Ų | 82.7 | 32% | 0.321 | 41% | 0.409 | S | S | . | . | trans | -51 | 115.6 | 173.5 | 49.1 | 75.6 | 0 | 0 | 0 | 108.8 | S62 S98 | N60-S62 PolarHBondContact O-N 2.73Å; N60-S98 PolarHBondContact ND2-O 3.27Å | ||
| 61 | C | 67.6 | Low | 81.7 | Confident | 45 Ų | 45 | 88.7 Ų | 88.7 | 30% | 0.304 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 129.3 | 171.5 | -79.5 | 0 | 0 | 0 | 0 | 107 | Q59 I63 I80 F81 Y82 | Q59-C61 PolarHBondContact O-N 3.27Å; C61-I63 HydrophobicContact CB-CB 4.48Å; C61-I63 PolarHBondContact O-N 3.36Å; C61-I80 PolarHBondContact N-O 3.17Å; C61-F81 HydrophobicContact CB-CD1 4.38Å; C61-Y82 WeakPolarHBondContact O-CB 3.33Å; C61-Y82 PolarHBondContact O-N 3.25Å |
| 62 | S | 78.3 | Confident | 81.8 | Confident | 101 Ų | 101 | 88 Ų | 88 | 71% | 0.706 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.9 | -7.9 | 173 | -56.7 | 0 | 0 | 0 | 0 | 113.9 | N60 | N60-S62 PolarHBondContact O-N 2.73Å |
| 63 | I | 86.6 | Confident | 81.9 | Confident | 114 Ų | 114 | 85.3 Ų | 85.3 | 59% | 0.585 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 125.5 | 176.2 | -56 | 170.6 | 0 | 0 | 0 | 109.2 | C61 F81 Y82 | C61-I63 HydrophobicContact CB-CB 4.48Å; C61-I63 PolarHBondContact O-N 3.36Å; I63-F81 HydrophobicContact CB-CD1 4.21Å; I63-F81 HydrophobicContact CG2-CD1 4.23Å; I63-F81 HydrophobicContact CG2-CE1 4.44Å; I63-Y82 PolarHBondContact O-N 3.38Å |
| 64 | S | 89.6 | Confident | 82.1 | Confident | 80 Ų | 80 | 84.9 Ų | 84.9 | 56% | 0.559 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 142.8 | 177.2 | -58.1 | 0 | 0 | 0 | 0 | 112.9 | F66 Y82 | S64-F66 PolarHBondContact O-N 3.24Å; S64-Y82 CarbonylContact C-O 2.88Å; S64-Y82 WeakPolarHBondContact CA-O 3.45Å |
| 65 | C | 91.2 | Very high | 82.1 | Confident | 2 Ų | 2 | 89.5 Ų | 89.5 | 1% | 0.014 | 48% | 0.478 | C | S | . | . | trans | -69.6 | 114.4 | 175.6 | -171.5 | 0 | 0 | 0 | 0 | 110.5 | W67 E68 F81 Y82 H83 | C65-W67 PolarHBondContact O-N 3.29Å; C65-E68 HydrophobicContact CB-CB 4.09Å; C65-E68 VanDerWaalsContact O-CB 3.27Å; C65-E68 WeakPolarHBondContact O-CB 3.28Å; C65-E68 PolarHBondContact O-N 3.47Å; C65-E68 VanDerWaalsContact O-N 3.08Å; C65-F81 VanDerWaalsContact CA-CB 3.49Å; C65-F81 HydrophobicContact CB-CB 3.62Å; C65-Y82 PolarHBondContact N-O 3.32Å; C65-H83 WeakPolarHBondContact CB-NE2 3.23Å; C65-H83 PolarHBondContact SG-NE2 3.33Å; C65-H83 VanDerWaalsContact SG-NE2 3.38Å | ||
| 66 | F | 92 | Very high | 82.3 | Confident | 129 Ų | 129 | 93.9 Ų | 93.9 | 57% | 0.566 | 50% | 0.496 | S | S | * | . | G | 310 helix | trans | -56 | -38.1 | 174.7 | 173.1 | -98.3 | 0 | 0 | 0 | 112.8 | S64 E68 T69 Q70 | S64-F66 PolarHBondContact O-N 3.24Å; F66-E68 PolarHBondContact O-N 3.28Å; F66-T69 PolarHBondContact O-N 2.98Å; F66-T69 PolarHBondContact O-OG1 3.39Å; F66-Q70 HydrophobicContact CE1-CG 4.16Å; F66-Q70 VanDerWaalsContact CZ-NE2 3.32Å |
| 67 | W | 92 | Very high | 82.4 | Confident | 153 Ų | 153 | 91.2 Ų | 91.2 | 58% | 0.58 | 49% | 0.485 | S | S | * | . | G | 310 helix | trans | -72.2 | -15.4 | -179.2 | -63.9 | 103 | 0 | 0 | 0 | 113.5 | C65 T69 Q70 G73 C74 | C65-W67 PolarHBondContact O-N 3.29Å; W67-T69 PolarHBondContact O-N 3.11Å; W67-Q70 HydrophobicContact CD2-CG 4.49Å; W67-Q70 HydrophobicContact CE3-CB 4.17Å; W67-Q70 HydrophobicContact CE3-CG 3.66Å; W67-Q70 HydrophobicContact CZ3-CG 4.11Å; W67-Q70 PolarHBondContact O-N 2.65Å; W67-G73 CarbonylContact O-C 3.58Å; W67-G73 VanDerWaalsContact O-CA 3.23Å; W67-G73 WeakPolarHBondContact O-CA 3.34Å; W67-C74 HydrophobicContact CB-CB 3.91Å; W67-C74 PolarHBondContact O-N 2.93Å |
| 68 | E | 90.8 | Very high | 82.9 | Confident | 42 Ų | 42 | 86.9 Ų | 86.9 | 20% | 0.196 | 47% | 0.467 | C | S | . | . | G | 310 helix | trans | -62.7 | -30.4 | 173.3 | -176.4 | 175 | -115 | 0 | 0 | 111.8 | C65 F66 H83 S84 K85 | C65-E68 HydrophobicContact CB-CB 4.09Å; C65-E68 VanDerWaalsContact O-CB 3.27Å; C65-E68 WeakPolarHBondContact O-CB 3.28Å; C65-E68 PolarHBondContact O-N 3.47Å; C65-E68 VanDerWaalsContact O-N 3.08Å; F66-E68 PolarHBondContact O-N 3.28Å; E68-H83 VanDerWaalsContact OE1-CA 3.31Å; E68-H83 WeakPolarHBondContact OE1-CA 3.42Å; E68-H83 WeakPolarHBondContact OE1-CB 3.28Å; E68-H83 IonicContact OE1-CD2 3.39Å; E68-H83 IonicContact OE1-CG 3.98Å; E68-S84 PolarHBondContact OE1-N 2.82Å; E68-S84 PolarHBondContact OE1-OG 3.13Å; E68-S84 PolarHBondContact OE2-N 2.86Å; E68-S84 PolarHBondContact OE2-OG 3.33Å; E68-K85 PolarHBondContact OE1-N 3.21Å |
| 69 | T | 89 | Confident | 83.8 | Confident | 106 Ų | 106 | 81.7 Ų | 81.7 | 65% | 0.65 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -88.2 | -6.7 | -179.3 | 64.1 | 0 | 0 | 0 | 0 | 113.7 | F66 W67 | F66-T69 PolarHBondContact O-N 2.98Å; F66-T69 PolarHBondContact O-OG1 3.39Å; W67-T69 PolarHBondContact O-N 3.11Å |
| 70 | Q | 91.7 | Very high | 85 | Confident | 65 Ų | 65 | 75.9 Ų | 75.9 | 30% | 0.304 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -79.7 | 152.3 | 179.4 | -61.6 | -56.7 | -48.7 | 0 | 0 | 110.6 | F66 W67 L72 G73 | F66-Q70 HydrophobicContact CE1-CG 4.16Å; F66-Q70 VanDerWaalsContact CZ-NE2 3.32Å; W67-Q70 HydrophobicContact CD2-CG 4.49Å; W67-Q70 HydrophobicContact CE3-CB 4.17Å; W67-Q70 HydrophobicContact CE3-CG 3.66Å; W67-Q70 HydrophobicContact CZ3-CG 4.11Å; W67-Q70 PolarHBondContact O-N 2.65Å; Q70-L72 PolarHBondContact O-N 3.01Å; Q70-G73 PolarHBondContact O-N 2.91Å |
| 71 | P | 86.6 | Confident | 86.1 | Confident | 138 Ų | 138 | 76.9 Ų | 76.9 | 90% | 0.896 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -30.9 | -177.9 | -24.2 | 32.1 | 0 | 0 | 0 | 113.8 | ||
| 72 | L | 86.8 | Confident | 87 | Confident | 151 Ų | 151 | 76.2 Ų | 76.2 | 79% | 0.791 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -15.8 | 179.5 | -147 | 77.3 | 0 | 0 | 0 | 113.4 | Q70 | Q70-L72 PolarHBondContact O-N 3.01Š|
| 73 | G | 89.3 | Confident | 87.6 | Confident | 25 Ų | 25 | 71.5 Ų | 71.5 | 26% | 0.258 | 38% | 0.378 | S | S | . | . | trans | 66.3 | 178.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114 | W67 Q70 V75 | W67-G73 CarbonylContact O-C 3.58Å; W67-G73 VanDerWaalsContact O-CA 3.23Å; W67-G73 WeakPolarHBondContact O-CA 3.34Å; Q70-G73 PolarHBondContact O-N 2.91Å; G73-V75 PolarHBondContact O-N 2.96Å | ||
| 74 | C | 90.3 | Very high | 87.7 | Confident | 10 Ų | 10 | 69.2 Ų | 69.2 | 7% | 0.068 | 37% | 0.373 | C | S | . | . | trans | -82.6 | 109 | 175.9 | -174 | 0 | 0 | 0 | 0 | 111.3 | W67 K76 C79 H83 R87 I89 | W67-C74 HydrophobicContact CB-CB 3.91Å; W67-C74 PolarHBondContact O-N 2.93Å; C74-K76 VanDerWaalsContact C-N 3.32Å; C74-C79 VanDerWaalsContact SG-SG 3.62Å; C74-H83 VanDerWaalsContact CB-NE2 3.3Å; C74-H83 WeakPolarHBondContact CB-NE2 3.41Å; C74-R87 PolarHBondContact O-NH1 3.04Å; C74-I89 WeakPolarHBondContact O-CD1 3.44Å | ||
| 75 | V | 87.8 | Confident | 87.6 | Confident | 97 Ų | 97 | 72.3 Ų | 72.3 | 59% | 0.588 | 38% | 0.376 | S | S | * | . | trans | -86 | 1.4 | 177.7 | -59.7 | 0 | 0 | 0 | 0 | 114.2 | G73 I77 | G73-V75 PolarHBondContact O-N 2.96Å; V75-I77 PolarHBondContact O-N 3.11Å | ||
| 76 | K | 83.8 | Confident | 87.4 | Confident | 122 Ų | 122 | 75.5 Ų | 75.5 | 53% | 0.53 | 40% | 0.396 | S | S | . | . | trans | -84.1 | 107.9 | 179.2 | -174.1 | 172.3 | -178.2 | 176.6 | 0 | 110 | C74 S78 C79 R87 | C74-K76 VanDerWaalsContact C-N 3.32Å; K76-S78 PolarHBondContact O-N 3.04Å; K76-C79 HydrophobicContact CB-CB 4.1Å; K76-C79 HydrophobicContact CG-CB 4.27Å; K76-C79 VanDerWaalsContact O-CB 3.3Å; K76-C79 WeakPolarHBondContact O-CB 3.4Å; K76-C79 PolarHBondContact O-N 3.32Å; K76-R87 PolarHBondContact O-NH1 3.33Å | ||
| 77 | I | 80.5 | Confident | 87.2 | Confident | 54 Ų | 54 | 70.9 Ų | 70.9 | 28% | 0.277 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -55.4 | 179.7 | -62.1 | 171 | 0 | 0 | 0 | 110.1 | V75 C79 R87 I89 L92 L94 | V75-I77 PolarHBondContact O-N 3.11Å; I77-C79 VanDerWaalsContact C-N 3.29Å; I77-C79 PolarHBondContact O-N 3.38Å; I77-C79 VanDerWaalsContact O-N 3.13Å; I77-R87 PolarHBondContact O-NH2 2.96Å; I77-I89 HydrophobicContact CD1-CG2 4.34Å; I77-I89 HydrophobicContact CG1-CB 4.14Å; I77-I89 HydrophobicContact CG1-CD1 4.22Å; I77-I89 HydrophobicContact CG1-CG2 3.8Å; I77-L92 HydrophobicContact CD1-CD1 4.08Å; I77-L94 HydrophobicContact CB-CD1 4.29Å; I77-L94 HydrophobicContact CG1-CD1 4.48Å; I77-L94 HydrophobicContact CG2-CD1 4.03Å; I77-L94 HydrophobicContact CG2-CD2 4.14Å |
| 78 | S | 77.8 | Confident | 87 | Confident | 28 Ų | 28 | 69.4 Ų | 69.4 | 20% | 0.196 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 49.5 | 179.6 | -37.3 | 0 | 0 | 0 | 0 | 112.7 | Y9 N13 K76 | Y9-S78 WeakPolarHBondContact OH-CB 3.3Å; N13-S78 WeakPolarHBondContact OD1-CB 3.4Å; N13-S78 PolarHBondContact OD1-OG 3.41Å; K76-S78 PolarHBondContact O-N 3.04Å |
| 79 | C | 84.4 | Confident | 86.7 | Confident | 22 Ų | 22 | 68.2 Ų | 68.2 | 15% | 0.149 | 37% | 0.373 | C | S | . | . | trans | -78 | 126.7 | 176.3 | -165.7 | 0 | 0 | 0 | 0 | 110.6 | C74 K76 I77 H83 | C74-C79 VanDerWaalsContact SG-SG 3.62Å; K76-C79 HydrophobicContact CB-CB 4.1Å; K76-C79 HydrophobicContact CG-CB 4.27Å; K76-C79 VanDerWaalsContact O-CB 3.3Å; K76-C79 WeakPolarHBondContact O-CB 3.4Å; K76-C79 PolarHBondContact O-N 3.32Å; I77-C79 VanDerWaalsContact C-N 3.29Å; I77-C79 PolarHBondContact O-N 3.38Å; I77-C79 VanDerWaalsContact O-N 3.13Å; C79-H83 VanDerWaalsContact SG-CE1 3.53Å | ||
| 80 | I | 84 | Confident | 86.3 | Confident | 50 Ų | 50 | 70.4 Ų | 70.4 | 26% | 0.256 | 38% | 0.381 | S | S | . | . | trans | -83 | -16.9 | -176.7 | 67.3 | 174.8 | 0 | 0 | 0 | 113.1 | Q58 C61 | Q58-I80 HydrophobicContact CB-CB 4.45Å; Q58-I80 HydrophobicContact CB-CG2 3.72Å; Q58-I80 VanDerWaalsContact OE1-CD1 3.29Å; C61-I80 PolarHBondContact N-O 3.17Å | ||
| 81 | F | 88 | Confident | 85.7 | Confident | 81 Ų | 81 | 71.1 Ų | 71.1 | 36% | 0.355 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 151.9 | -179.1 | -64.4 | -74.2 | 0 | 0 | 0 | 111.2 | C61 I63 C65 H83 | C61-F81 HydrophobicContact CB-CD1 4.38Å; I63-F81 HydrophobicContact CB-CD1 4.21Å; I63-F81 HydrophobicContact CG2-CD1 4.23Å; I63-F81 HydrophobicContact CG2-CE1 4.44Å; C65-F81 VanDerWaalsContact CA-CB 3.49Å; C65-F81 HydrophobicContact CB-CB 3.62Å; F81-H83 PolarHBondContact O-CE1 2.87Å; F81-H83 VanDerWaalsContact O-CE1 3.32Å; F81-H83 PolarHBondContact O-N 2.83Å; F81-H83 PolarHBondContact O-ND1 3.41Å |
| 82 | Y | 87.7 | Confident | 85.3 | Confident | 31 Ų | 31 | 69 Ų | 69 | 12% | 0.122 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 124.5 | -179.7 | -177.9 | -93.8 | 0 | 0 | 0 | 111.3 | C61 I63 S64 C65 S97 R99 | C61-Y82 WeakPolarHBondContact O-CB 3.33Å; C61-Y82 PolarHBondContact O-N 3.25Å; I63-Y82 PolarHBondContact O-N 3.38Å; S64-Y82 CarbonylContact C-O 2.88Å; S64-Y82 WeakPolarHBondContact CA-O 3.45Å; C65-Y82 PolarHBondContact N-O 3.32Å; Y82-S97 VanDerWaalsContact CE2-O 3.28Å; Y82-S97 WeakPolarHBondContact CE2-O 3.27Å; Y82-R99 HydrophobicContact CE2-CB 4.19Å; Y82-R99 HydrophobicContact CE2-CG 4.41Å; Y82-R99 VanDerWaalsContact CZ-NH2 3.25Å; Y82-R99 PolarHBondContact OH-NH2 3.21Å |
| 83 | H | 89.6 | Confident | 85 | Confident | 2 Ų | 2 | 68.1 Ų | 68.1 | 1% | 0.009 | 38% | 0.377 | C | S | . | . | trans | -107.7 | 128.3 | 170.7 | -67.2 | 79.7 | 0 | 0 | 0 | 109.7 | C65 E68 C74 C79 F81 R87 S97 | C65-H83 WeakPolarHBondContact CB-NE2 3.23Å; C65-H83 PolarHBondContact SG-NE2 3.33Å; C65-H83 VanDerWaalsContact SG-NE2 3.38Å; E68-H83 VanDerWaalsContact OE1-CA 3.31Å; E68-H83 WeakPolarHBondContact OE1-CA 3.42Å; E68-H83 WeakPolarHBondContact OE1-CB 3.28Å; E68-H83 IonicContact OE1-CD2 3.39Å; E68-H83 IonicContact OE1-CG 3.98Å; C74-H83 VanDerWaalsContact CB-NE2 3.3Å; C74-H83 WeakPolarHBondContact CB-NE2 3.41Å; C79-H83 VanDerWaalsContact SG-CE1 3.53Å; F81-H83 PolarHBondContact O-CE1 2.87Å; F81-H83 VanDerWaalsContact O-CE1 3.32Å; F81-H83 PolarHBondContact O-N 2.83Å; F81-H83 PolarHBondContact O-ND1 3.41Å; H83-R87 VanDerWaalsContact CD2-CD 3.45Å; H83-R87 WeakPolarHBondContact CD2-CD 3.3Å; H83-R87 PolarHBondContact CD2-NE 2.79Å; H83-S97 PolarHBondContact N-OG 3.08Å; H83-S97 PolarHBondContact O-N 2.77Å | ||
| 84 | S | 89.2 | Confident | 84.6 | Confident | 66 Ų | 66 | 68.5 Ų | 68.5 | 46% | 0.462 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -82.8 | -25 | 175.3 | 61.4 | 0 | 0 | 0 | 0 | 112.5 | E68 | E68-S84 PolarHBondContact OE1-N 2.82Å; E68-S84 PolarHBondContact OE1-OG 3.13Å; E68-S84 PolarHBondContact OE2-N 2.86Å; E68-S84 PolarHBondContact OE2-OG 3.33Å |
| 85 | K | 86.9 | Confident | 84.2 | Confident | 144 Ų | 144 | 72.2 Ų | 72.2 | 63% | 0.626 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -116.9 | 149.2 | -176.5 | -65.2 | 176.5 | -176.6 | 176 | 0 | 111.8 | E68 | E68-K85 PolarHBondContact OE1-N 3.21Š|
| 86 | P | 86.4 | Confident | 84 | Confident | 69 Ų | 69 | 70.1 Ų | 70.1 | 45% | 0.448 | 39% | 0.385 | S | S | . | . | trans | -63.2 | 155.2 | 169.6 | 26.9 | -33.1 | 0 | 0 | 0 | 111 | F93 L94 | P86-F93 HydrophobicContact CB-CE2 3.59Å; P86-F93 HydrophobicContact CB-CZ 3.68Å; P86-F93 HydrophobicContact CG-CE2 4.32Å; P86-F93 HydrophobicContact CG-CZ 4.48Å; P86-L94 CarbonylContact C-O 3.58Å; P86-L94 VanDerWaalsContact CA-O 3.28Å; P86-L94 WeakPolarHBondContact CA-O 3.36Å | ||
| 87 | R | 88.7 | Confident | 84 | Confident | 33 Ų | 33 | 65.7 Ų | 65.7 | 13% | 0.125 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 144 | -179.1 | -59.8 | 178.3 | -70.7 | 147 | 3.5 | 110.4 | C74 K76 I77 H83 I89 L94 | C74-R87 PolarHBondContact O-NH1 3.04Å; K76-R87 PolarHBondContact O-NH1 3.33Å; I77-R87 PolarHBondContact O-NH2 2.96Å; H83-R87 VanDerWaalsContact CD2-CD 3.45Å; H83-R87 WeakPolarHBondContact CD2-CD 3.3Å; H83-R87 PolarHBondContact CD2-NE 2.79Å; R87-I89 HydrophobicContact CB-CD1 4.39Å; R87-I89 HydrophobicContact CB-CG1 4.29Å; R87-L94 HydrophobicContact CB-CB 4.33Å; R87-L94 PolarHBondContact N-O 3.37Å; R87-L94 PolarHBondContact O-N 3.3Å |
| 88 | N | 86.9 | Confident | 83.5 | Confident | 122 Ų | 122 | 67.4 Ų | 67.4 | 65% | 0.652 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 109.3 | 172.1 | -71 | -63.8 | 0 | 0 | 0 | 108.6 | L92 F93 | N88-L92 WeakPolarHBondContact CA-O 3.44Å; N88-F93 WeakPolarHBondContact OD1-CD2 3.36Å |
| 89 | I | 84.8 | Confident | 82.5 | Confident | 16 Ų | 16 | 73.9 Ų | 73.9 | 8% | 0.082 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 116.1 | -175.8 | -52 | 175.7 | 0 | 0 | 0 | 107.7 | C74 I77 R87 G91 L92 L94 | C74-I89 WeakPolarHBondContact O-CD1 3.44Å; I77-I89 HydrophobicContact CD1-CG2 4.34Å; I77-I89 HydrophobicContact CG1-CB 4.14Å; I77-I89 HydrophobicContact CG1-CD1 4.22Å; I77-I89 HydrophobicContact CG1-CG2 3.8Å; R87-I89 HydrophobicContact CB-CD1 4.39Å; R87-I89 HydrophobicContact CB-CG1 4.29Å; I89-G91 PolarHBondContact O-N 2.93Å; I89-L92 PolarHBondContact N-O 3.06Å; I89-L92 VanDerWaalsContact O-CB 3.3Å; I89-L92 WeakPolarHBondContact O-CB 3.31Å; I89-L92 PolarHBondContact O-N 2.89Å; I89-L94 HydrophobicContact CD1-CD1 3.55Å; I89-L94 HydrophobicContact CG1-CD1 4.13Å |
| 90 | N | 81 | Confident | 81.1 | Confident | 153 Ų | 153 | 78.3 Ų | 78.3 | 82% | 0.818 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 38 | -177.6 | -60.2 | -19.3 | 0 | 0 | 0 | 113.9 | L92 | N90-L92 PolarHBondContact O-N 3.36Š|
| 91 | G | 79.3 | Confident | 79.1 | Confident | 79 Ų | 79 | 88.8 Ų | 88.8 | 81% | 0.814 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.8 | -0.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115 | I89 | I89-G91 PolarHBondContact O-N 2.93Š|
| 92 | L | 77.4 | Confident | 78.6 | Confident | 95 Ų | 95 | 89.2 Ų | 89.2 | 50% | 0.497 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 120.9 | 172.8 | -60.8 | 169.3 | 0 | 0 | 0 | 110.1 | I77 N88 I89 N90 | I77-L92 HydrophobicContact CD1-CD1 4.08Å; N88-L92 WeakPolarHBondContact CA-O 3.44Å; I89-L92 PolarHBondContact N-O 3.06Å; I89-L92 VanDerWaalsContact O-CB 3.3Å; I89-L92 WeakPolarHBondContact O-CB 3.31Å; I89-L92 PolarHBondContact O-N 2.89Å; N90-L92 PolarHBondContact O-N 3.36Å |
| 93 | F | 81.6 | Confident | 78.1 | Confident | 132 Ų | 132 | 92.2 Ų | 92.2 | 58% | 0.579 | 50% | 0.501 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 118.5 | 170.6 | 179.3 | -97.2 | 0 | 0 | 0 | 110 | P86 N88 P95 | P86-F93 HydrophobicContact CB-CE2 3.59Å; P86-F93 HydrophobicContact CB-CZ 3.68Å; P86-F93 HydrophobicContact CG-CE2 4.32Å; P86-F93 HydrophobicContact CG-CZ 4.48Å; N88-F93 WeakPolarHBondContact OD1-CD2 3.36Å; F93-P95 HydrophobicContact CE1-CB 4.38Å |
| 94 | L | 81.4 | Confident | 77.5 | Confident | 33 Ų | 33 | 97.2 Ų | 97.2 | 17% | 0.173 | 53% | 0.529 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 117.7 | 176.4 | -60.3 | 173 | 0 | 0 | 0 | 108.9 | I77 P86 R87 I89 | I77-L94 HydrophobicContact CB-CD1 4.29Å; I77-L94 HydrophobicContact CG1-CD1 4.48Å; I77-L94 HydrophobicContact CG2-CD1 4.03Å; I77-L94 HydrophobicContact CG2-CD2 4.14Å; P86-L94 CarbonylContact C-O 3.58Å; P86-L94 VanDerWaalsContact CA-O 3.28Å; P86-L94 WeakPolarHBondContact CA-O 3.36Å; R87-L94 HydrophobicContact CB-CB 4.33Å; R87-L94 PolarHBondContact N-O 3.37Å; R87-L94 PolarHBondContact O-N 3.3Å; I89-L94 HydrophobicContact CD1-CD1 3.55Å; I89-L94 HydrophobicContact CG1-CD1 4.13Å |
| 95 | P | 80.3 | Confident | 76.8 | Confident | 87 Ų | 87 | 99.1 Ų | 99.1 | 57% | 0.565 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 159.5 | 178.5 | 27.7 | -33.8 | 0 | 0 | 0 | 111.6 | F93 | F93-P95 HydrophobicContact CE1-CB 4.38Š|
| 96 | P | 84.7 | Confident | 76.2 | Confident | 54 Ų | 54 | 96.3 Ų | 96.3 | 35% | 0.351 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 157 | 172.5 | 27 | -33.9 | 0 | 0 | 0 | 111.2 | S98 | P96-S98 PolarHBondContact O-N 3.31Š|
| 97 | S | 82.8 | Confident | 75.5 | Confident | 28 Ų | 28 | 98.1 Ų | 98.1 | 20% | 0.196 | 53% | 0.532 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 123.4 | -179.3 | -60.3 | 0 | 0 | 0 | 0 | 110.8 | Y82 H83 R99 | Y82-S97 VanDerWaalsContact CE2-O 3.28Å; Y82-S97 WeakPolarHBondContact CE2-O 3.27Å; H83-S97 PolarHBondContact N-OG 3.08Å; H83-S97 PolarHBondContact O-N 2.77Å; S97-R99 PolarHBondContact O-N 3.31Å |
| 98 | S | 69.8 | Low | 74.6 | Confident | 91 Ų | 91 | 102.7 Ų | 102.7 | 64% | 0.636 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 119.7 | 170.5 | -49.4 | 0 | 0 | 0 | 0 | 108.9 | N60 P96 T100 | N60-S98 PolarHBondContact ND2-O 3.27Å; P96-S98 PolarHBondContact O-N 3.31Å; S98-T100 VanDerWaalsContact C-N 3.32Å; S98-T100 PolarHBondContact O-N 2.92Å |
| 99 | R | 58.1 | Low | 73.6 | Confident | 163 Ų | 163 | 101.2 Ų | 101.2 | 62% | 0.615 | 55% | 0.554 | S | S | * | * | trans | -77.1 | 90 | 170.9 | -151.4 | -175.2 | -57.3 | -109.3 | 0.3 | 106.3 | Y82 S97 K101 | Y82-R99 HydrophobicContact CE2-CB 4.19Å; Y82-R99 HydrophobicContact CE2-CG 4.41Å; Y82-R99 VanDerWaalsContact CZ-NH2 3.25Å; Y82-R99 PolarHBondContact OH-NH2 3.21Å; S97-R99 PolarHBondContact O-N 3.31Å; R99-K101 PolarHBondContact O-N 3.21Å; R99-K101 VanDerWaalsContact O-N 3.11Å | ||
| 100 | T | 54 | Low | 72.7 | Confident | 115 Ų | 115 | 108.3 Ų | 108.3 | 71% | 0.706 | 59% | 0.594 | S | S | * | * | trans | -64.3 | 114.4 | 174.2 | -37 | 0 | 0 | 0 | 0 | 106.8 | S98 | S98-T100 VanDerWaalsContact C-N 3.32Å; S98-T100 PolarHBondContact O-N 2.92Å | ||
| 101 | K | 41.8 | Very low | 71.9 | Confident | 270 Ų | 270 | 104.3 Ų | 104.3 | 100% | 1.174 | 57% | 0.573 | S | S | * | * | trans | -76.2 | 0 | 173.4 | -88.8 | -168.8 | 175.7 | -175.6 | 0 | 110.4 | R99 | R99-K101 PolarHBondContact O-N 3.21Å; R99-K101 VanDerWaalsContact O-N 3.11Å |
Retrieved 101 of 101 residues in 364.2 ms
(Link to these results)