| 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 | 33 | Very low | 39.7 | Very low | 191 Ų | 191 | 114.3 Ų | 114.3 | 94% | 0.941 | 58% | 0.576 | S | S | * | * | 0 | -7.3 | 0 | -66.7 | -162.3 | -177.3 | 0 | 0 | 115.8 | D4 | M1-D4 WeakPolarHBondContact CA-OD2 3.48Å; M1-D4 PolarHBondContact N-OD2 3.37Å | |||
| 2 | L | 33.6 | Very low | 40.4 | Very low | 156 Ų | 156 | 116.7 Ų | 116.7 | 82% | 0.817 | 58% | 0.583 | S | S | * | * | trans | -110.4 | 2.1 | 163.2 | -89.7 | 169 | 0 | 0 | 0 | 112.7 | ||||
| 3 | F | 38.4 | Very low | 41.3 | Very low | 98 Ų | 98 | 109.5 Ų | 109.5 | 43% | 0.43 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -118.4 | -7.6 | 174.6 | -70.4 | -72.9 | 0 | 0 | 0 | 112.1 | R340 | F3-R340 HydrophobicContact CE2-CG 4.05Å; F3-R340 HydrophobicContact CZ-CG 4.21Å |
| 4 | D | 37.2 | Very low | 42.1 | Very low | 101 Ų | 101 | 113.8 Ų | 113.8 | 54% | 0.54 | 57% | 0.565 | S | S | . | * | S | Bend | trans | -88.8 | -19.9 | -175 | -51.7 | -41.5 | 0 | 0 | 0 | 111.6 | M1 | M1-D4 WeakPolarHBondContact CA-OD2 3.48Å; M1-D4 PolarHBondContact N-OD2 3.37Å |
| 5 | D | 38.8 | Very low | 43.3 | Very low | 145 Ų | 145 | 113.3 Ų | 113.3 | 78% | 0.775 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -94.9 | 1.1 | 176.7 | -60 | -32.5 | 0 | 0 | 0 | 112.2 | ||
| 6 | E | 43.9 | Very low | 44.8 | Very low | 50 Ų | 50 | 108.1 Ų | 108.1 | 23% | 0.234 | 54% | 0.539 | C | S | . | . | trans | -96.7 | -5 | -179 | -73.4 | -174 | 160.9 | 0 | 0 | 113 | D8 E9 L10 Q309 | E6-D8 PolarHBondContact O-N 2.79Å; E6-E9 PolarHBondContact O-N 3.09Å; E6-E9 VanDerWaalsContact O-N 3.1Å; E6-L10 WeakPolarHBondContact O-CG 3.44Å; E6-L10 PolarHBondContact O-N 2.86Å; E6-Q309 PolarHBondContact OE2-NE2 3.21Å | ||
| 7 | D | 39.8 | Very low | 46 | Very low | 98 Ų | 98 | 102.9 Ų | 102.9 | 52% | 0.524 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.6 | -30.9 | -178.5 | -76.3 | -27.1 | 0 | 0 | 0 | 112.6 | L10 E11 | D7-L10 WeakPolarHBondContact O-CB 3.4Å; D7-L10 PolarHBondContact O-N 3.41Å; D7-L10 VanDerWaalsContact O-N 3.11Å; D7-E11 PolarHBondContact O-N 3.38Å |
| 8 | D | 40.8 | Very low | 47.2 | Very low | 135 Ų | 135 | 101.7 Ų | 101.7 | 72% | 0.722 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -70.3 | -31.5 | 176.9 | -69.8 | -18.8 | 0 | 0 | 0 | 113.1 | E6 L10 | E6-D8 PolarHBondContact O-N 2.79Å; D8-L10 PolarHBondContact O-N 3.4Å |
| 9 | E | 44.9 | Very low | 48.3 | Very low | 93 Ų | 93 | 98.2 Ų | 98.2 | 44% | 0.435 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -75.5 | -16.5 | 172 | -81.1 | -171.4 | 178.9 | 0 | 0 | 111.5 | E6 K306 | E6-E9 PolarHBondContact O-N 3.09Å; E6-E9 VanDerWaalsContact O-N 3.1Å; E9-K306 VanDerWaalsContact CD-NZ 3.26Å; E9-K306 IonicContact OE1-NZ 3.48Å; E9-K306 PolarHBondContact OE1-NZ 3.3Å; E9-K306 IonicContact OE2-NZ 3.11Å; E9-K306 PolarHBondContact OE2-NZ 3.46Å |
| 10 | L | 41.7 | Very low | 49.3 | Very low | 46 Ų | 46 | 99.7 Ų | 99.7 | 24% | 0.241 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -83.9 | -25 | -178.5 | -65.6 | 179.8 | 0 | 0 | 0 | 113.3 | E6 D7 D8 L13 | E6-L10 WeakPolarHBondContact O-CG 3.44Å; E6-L10 PolarHBondContact O-N 2.86Å; D7-L10 WeakPolarHBondContact O-CB 3.4Å; D7-L10 PolarHBondContact O-N 3.41Å; D7-L10 VanDerWaalsContact O-N 3.11Å; D8-L10 PolarHBondContact O-N 3.4Å; L10-L13 HydrophobicContact CD2-CD1 3.91Å; L10-L13 WeakPolarHBondContact O-CB 3.2Å; L10-L13 PolarHBondContact O-N 3.31Å |
| 11 | E | 44.4 | Very low | 50.1 | Low | 144 Ų | 144 | 101.9 Ų | 101.9 | 67% | 0.673 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.4 | -37.3 | 174.5 | -83.9 | -171.4 | 166.4 | 0 | 0 | 112.1 | D7 L13 E14 | D7-E11 PolarHBondContact O-N 3.38Å; E11-L13 PolarHBondContact O-N 2.7Å; E11-E14 PolarHBondContact O-N 2.87Å |
| 12 | E | 47.9 | Very low | 52 | Low | 143 Ų | 143 | 94.5 Ų | 94.5 | 67% | 0.668 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -15.2 | 176.9 | -74.8 | -169.7 | 165.4 | 0 | 0 | 113.4 | ||
| 13 | L | 52.1 | Low | 54.1 | Low | 23 Ų | 23 | 91.6 Ų | 91.6 | 12% | 0.12 | 46% | 0.459 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -14.1 | -177.9 | -61.8 | 172 | 0 | 0 | 0 | 114 | L10 E11 D15 E16 Y51 L310 | L10-L13 HydrophobicContact CD2-CD1 3.91Å; L10-L13 WeakPolarHBondContact O-CB 3.2Å; L10-L13 PolarHBondContact O-N 3.31Å; E11-L13 PolarHBondContact O-N 2.7Å; L13-D15 PolarHBondContact O-N 2.97Å; L13-E16 WeakPolarHBondContact O-CB 3.4Å; L13-E16 PolarHBondContact O-N 3.25Å; L13-Y51 HydrophobicContact CD2-CE1 4.31Å; L13-Y51 WeakPolarHBondContact CD2-OH 3.49Å; L13-L310 HydrophobicContact CD1-CD2 3.75Å; L13-L310 HydrophobicContact CD2-CD2 3.85Å |
| 14 | E | 52.6 | Low | 55.9 | Low | 170 Ų | 170 | 90.6 Ų | 90.6 | 79% | 0.794 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -24.2 | 175.7 | -69.3 | -165 | 159.1 | 0 | 0 | 112 | E11 E16 | E11-E14 PolarHBondContact O-N 2.87Å; E14-E16 VanDerWaalsContact C-N 3.26Å; E14-E16 PolarHBondContact O-N 2.67Å |
| 15 | D | 60.9 | Low | 58.2 | Low | 106 Ų | 106 | 88.3 Ų | 88.3 | 57% | 0.567 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | 10.7 | 177.2 | -75.9 | -23.9 | 0 | 0 | 0 | 113.9 | L13 S41 A42 | L13-D15 PolarHBondContact O-N 2.97Å; D15-S41 CarbonylContact O-C 3.42Å; D15-S41 WeakPolarHBondContact O-CA 3.47Å; D15-A42 WeakPolarHBondContact O-CB 3.08Å; D15-A42 PolarHBondContact O-N 3.19Å |
| 16 | E | 66.3 | Low | 60.7 | Low | 30 Ų | 30 | 84 Ų | 84 | 14% | 0.14 | 43% | 0.431 | C | S | . | . | B | Isolated β-bridge | trans | -72.8 | 135.2 | -177.9 | -160.8 | 171.7 | -149.1 | 0 | 0 | 111.7 | L13 E14 D18 F39 R314 | L13-E16 WeakPolarHBondContact O-CB 3.4Å; L13-E16 PolarHBondContact O-N 3.25Å; E14-E16 VanDerWaalsContact C-N 3.26Å; E14-E16 PolarHBondContact O-N 2.67Å; E16-D18 PolarHBondContact O-N 3.36Å; E16-F39 HydrophobicContact CB-CE2 4.36Å; E16-F39 HydrophobicContact CG-CD2 4.36Å; E16-F39 HydrophobicContact CG-CE2 4.35Å; E16-R314 IonicContact OE1-CZ 3.53Å; E16-R314 IonicContact OE1-NE 2.63Å; E16-R314 IonicContact OE1-NH2 2.76Å; E16-R314 PolarHBondContact OE1-NH2 3.28Å; E16-R314 IonicContact OE2-CZ 2.72Å; E16-R314 IonicContact OE2-NE 2.65Å; E16-R314 PolarHBondContact OE2-NE 3.15Å; E16-R314 VanDerWaalsContact OE2-NE 3.09Å; E16-R314 IonicContact OE2-NH1 3.77Å; E16-R314 IonicContact OE2-NH2 3.62Å; E16-R314 PolarHBondContact OE2-NH2 3.38Å; E16-R314 VanDerWaalsContact OE2-NH2 3.1Å |
| 17 | F | 65.6 | Low | 63.1 | Low | 21 Ų | 21 | 81.7 Ų | 81.7 | 9% | 0.092 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 120.5 | -173.7 | -175.2 | -125 | 0 | 0 | 0 | 113.2 | I22 Y28 P31 V40 P45 | F17-I22 HydrophobicContact CD1-CD1 4.09Å; F17-I22 HydrophobicContact CE1-CD1 3.15Å; F17-I22 HydrophobicContact CE1-CG1 4.13Å; F17-I22 HydrophobicContact CE2-CD1 3.72Å; F17-I22 HydrophobicContact CE2-CG1 3.81Å; F17-I22 HydrophobicContact CZ-CD1 2.96Å; F17-I22 HydrophobicContact CZ-CG1 3.42Å; F17-I22 VanDerWaalsContact CZ-CG1 3.42Å; F17-Y28 AromaticContact CE1-CD2 3.8Å; F17-Y28 HydrophobicContact CE1-CD2 3.8Å; F17-Y28 HydrophobicContact CE1-CE2 4.37Å; F17-Y28 HydrophobicContact CE1-CG 4.28Å; F17-P31 HydrophobicContact CD1-CG 3.96Å; F17-V40 HydrophobicContact CB-CB 4.15Å; F17-V40 HydrophobicContact CB-CG1 3.88Å; F17-V40 WeakPolarHBondContact CB-O 3.46Å; F17-V40 HydrophobicContact CD1-CG1 4.16Å; F17-V40 HydrophobicContact CG-CG1 4.2Å; F17-V40 PolarHBondContact N-O 2.73Å; F17-P45 HydrophobicContact CD1-CB 4.48Å; F17-P45 HydrophobicContact CD2-CB 3.66Å; F17-P45 HydrophobicContact CE1-CB 4.11Å; F17-P45 HydrophobicContact CE2-CB 3.23Å; F17-P45 HydrophobicContact CE2-CG 4.15Å; F17-P45 HydrophobicContact CG-CB 4.24Å; F17-P45 HydrophobicContact CZ-CB 3.43Å; F17-P45 VanDerWaalsContact CZ-CB 3.43Å; F17-P45 HydrophobicContact CZ-CG 4.48Å |
| 18 | D | 68.6 | Low | 65.7 | Low | 80 Ų | 80 | 77.1 Ų | 77.1 | 43% | 0.428 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -95.4 | 131.6 | 176.9 | -166.7 | -4.2 | 0 | 0 | 0 | 112 | E16 E20 | E16-D18 PolarHBondContact O-N 3.36Å; D18-E20 VanDerWaalsContact C-N 3.27Å; D18-E20 PolarHBondContact O-N 3.25Å; D18-E20 PolarHBondContact OD1-N 3.46Å; D18-E20 VanDerWaalsContact OD1-N 3.13Å |
| 19 | I | 68.2 | Low | 68.2 | Low | 35 Ų | 35 | 70.7 Ų | 70.7 | 18% | 0.179 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -66.9 | -29.9 | 179.7 | -64.1 | 171.4 | 0 | 0 | 0 | 111.4 | N21 I22 Y28 P31 P230 | I19-N21 PolarHBondContact O-N 2.97Å; I19-N21 VanDerWaalsContact O-N 3.15Å; I19-I22 PolarHBondContact O-N 3.27Å; I19-Y28 HydrophobicContact CG1-CE2 4.48Å; I19-Y28 WeakPolarHBondContact CG2-OH 3.33Å; I19-P31 HydrophobicContact CD1-CB 4.23Å; I19-P31 HydrophobicContact CD1-CG 4.1Å; I19-P31 HydrophobicContact CG1-CB 4.31Å; I19-P31 HydrophobicContact CG1-CG 3.75Å; I19-P230 HydrophobicContact CD1-CG 4.23Å |
| 20 | E | 67.5 | Low | 70.4 | Confident | 129 Ų | 129 | 66.5 Ų | 66.5 | 60% | 0.603 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -65.3 | -20.8 | -170 | -66.9 | -174.5 | -173.9 | 0 | 0 | 113.9 | D18 K315 | D18-E20 VanDerWaalsContact C-N 3.27Å; D18-E20 PolarHBondContact O-N 3.25Å; D18-E20 PolarHBondContact OD1-N 3.46Å; D18-E20 VanDerWaalsContact OD1-N 3.13Å; E20-K315 IonicContact OE1-NZ 2.7Å; E20-K315 PolarHBondContact OE1-NZ 3.32Å |
| 21 | N | 66.6 | Low | 72.6 | Confident | 146 Ų | 146 | 64.6 Ų | 64.6 | 78% | 0.781 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -105.3 | 12.1 | -175.5 | -67.4 | -44.9 | 0 | 0 | 0 | 114.6 | I19 | I19-N21 PolarHBondContact O-N 2.97Å; I19-N21 VanDerWaalsContact O-N 3.15Å |
| 22 | I | 72 | Confident | 74.7 | Confident | 35 Ų | 35 | 58.8 Ų | 58.8 | 18% | 0.179 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -97 | 144.3 | -176.8 | -66.6 | 161.6 | 0 | 0 | 0 | 111.5 | F17 I19 S24 Y28 | F17-I22 HydrophobicContact CD1-CD1 4.09Å; F17-I22 HydrophobicContact CE1-CD1 3.15Å; F17-I22 HydrophobicContact CE1-CG1 4.13Å; F17-I22 HydrophobicContact CE2-CD1 3.72Å; F17-I22 HydrophobicContact CE2-CG1 3.81Å; F17-I22 HydrophobicContact CZ-CD1 2.96Å; F17-I22 HydrophobicContact CZ-CG1 3.42Å; F17-I22 VanDerWaalsContact CZ-CG1 3.42Å; I19-I22 PolarHBondContact O-N 3.27Å; I22-S24 PolarHBondContact O-N 3.25Å; I22-Y28 HydrophobicContact CB-CE1 4.3Å; I22-Y28 HydrophobicContact CD1-CD1 4.1Å; I22-Y28 HydrophobicContact CD1-CD2 3.91Å; I22-Y28 HydrophobicContact CD1-CE1 3.91Å; I22-Y28 HydrophobicContact CD1-CE2 3.73Å; I22-Y28 HydrophobicContact CD1-CG 4.08Å; I22-Y28 HydrophobicContact CG2-CD1 3.6Å; I22-Y28 HydrophobicContact CG2-CE1 3.5Å; I22-Y28 HydrophobicContact CG2-CG 4.45Å |
| 23 | D | 77.3 | Confident | 76.7 | Confident | 95 Ų | 95 | 52.8 Ų | 52.8 | 51% | 0.508 | 28% | 0.276 | S | S | . | . | trans | -54.7 | 112.8 | 163.3 | 179.9 | -0.2 | 0 | 0 | 0 | 110.2 | C25 Q26 | D23-C25 PolarHBondContact O-N 3.08Å; D23-C25 WeakPolarHBondContact OD1-CB 3.41Å; D23-C25 PolarHBondContact OD1-N 2.85Å; D23-Q26 HydrophobicContact CB-CB 4.19Å; D23-Q26 WeakPolarHBondContact O-CB 3.43Å; D23-Q26 PolarHBondContact O-N 3.39Å | ||
| 24 | S | 77.8 | Confident | 78.6 | Confident | 77 Ų | 77 | 51.9 Ų | 51.9 | 54% | 0.538 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -27.2 | 178.9 | 67 | 0 | 0 | 0 | 0 | 113.3 | I22 Y67 | I22-S24 PolarHBondContact O-N 3.25Å; S24-Y67 WeakPolarHBondContact O-CE2 3.41Å; S24-Y67 PolarHBondContact O-OH 3.02Å |
| 25 | C | 83.7 | Confident | 80.7 | Confident | 53 Ų | 53 | 44.4 Ų | 44.4 | 36% | 0.358 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -6.3 | 179.4 | -66.9 | 0 | 0 | 0 | 0 | 114.2 | D23 R224 | D23-C25 PolarHBondContact O-N 3.08Å; D23-C25 WeakPolarHBondContact OD1-CB 3.41Å; D23-C25 PolarHBondContact OD1-N 2.85Å; C25-R224 PolarHBondContact O-NH1 3.35Å; C25-R224 PolarHBondContact O-NH2 2.91Å |
| 26 | Q | 91.5 | Very high | 82.2 | Confident | 56 Ų | 56 | 39.8 Ų | 39.8 | 26% | 0.262 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -87.3 | 141.3 | 178.2 | -171.1 | 163.4 | -7.5 | 0 | 0 | 111.5 | D23 Y28 | D23-Q26 HydrophobicContact CB-CB 4.19Å; D23-Q26 WeakPolarHBondContact O-CB 3.43Å; D23-Q26 PolarHBondContact O-N 3.39Å; Q26-Y28 VanDerWaalsContact O-CD1 3.27Å; Q26-Y28 WeakPolarHBondContact O-CD1 3.43Å |
| 27 | V | 95.1 | Very high | 83.6 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -85.3 | 129.2 | 170.4 | -173.6 | 0 | 0 | 0 | 0 | 109.1 | F46 A65 Y67 F199 I216 N217 | V27-F46 WeakPolarHBondContact O-CE1 3.32Å; V27-A65 HydrophobicContact CG1-CB 3.86Å; V27-Y67 HydrophobicContact CG2-CD2 3.97Å; V27-Y67 HydrophobicContact CG2-CG 4.35Å; V27-F199 HydrophobicContact CB-CB 4.01Å; V27-F199 HydrophobicContact CB-CD2 4.4Å; V27-F199 HydrophobicContact CB-CG 4.17Å; V27-F199 HydrophobicContact CG1-CB 4.1Å; V27-F199 HydrophobicContact CG1-CD1 3.98Å; V27-F199 HydrophobicContact CG1-CD2 4.02Å; V27-F199 HydrophobicContact CG1-CE1 4.42Å; V27-F199 HydrophobicContact CG1-CE2 4.45Å; V27-F199 HydrophobicContact CG1-CG 3.76Å; V27-F199 WeakPolarHBondContact O-CD2 3.38Å; V27-I216 HydrophobicContact CB-CG2 4.34Å; V27-I216 HydrophobicContact CG1-CG2 3.97Å; V27-I216 HydrophobicContact CG2-CG1 4.4Å; V27-I216 HydrophobicContact CG2-CG2 4.32Å; V27-N217 HydrophobicContact CB-CB 4.41Å; V27-N217 HydrophobicContact CG2-CB 4.26Å; V27-N217 PolarHBondContact N-OD1 3.4Å | ||
| 28 | Y | 93.8 | Very high | 85 | Confident | 3 Ų | 3 | 37.5 Ų | 37.5 | 1% | 0.012 | 20% | 0.202 | C | C | . | . | trans | -146.6 | 172 | -178.8 | 60 | -92.1 | 0 | 0 | 0 | 110.1 | F17 I19 I22 Q26 D30 A65 S66 R226 | F17-Y28 AromaticContact CE1-CD2 3.8Å; F17-Y28 HydrophobicContact CE1-CD2 3.8Å; F17-Y28 HydrophobicContact CE1-CE2 4.37Å; F17-Y28 HydrophobicContact CE1-CG 4.28Å; I19-Y28 HydrophobicContact CG1-CE2 4.48Å; I19-Y28 WeakPolarHBondContact CG2-OH 3.33Å; I22-Y28 HydrophobicContact CB-CE1 4.3Å; I22-Y28 HydrophobicContact CD1-CD1 4.1Å; I22-Y28 HydrophobicContact CD1-CD2 3.91Å; I22-Y28 HydrophobicContact CD1-CE1 3.91Å; I22-Y28 HydrophobicContact CD1-CE2 3.73Å; I22-Y28 HydrophobicContact CD1-CG 4.08Å; I22-Y28 HydrophobicContact CG2-CD1 3.6Å; I22-Y28 HydrophobicContact CG2-CE1 3.5Å; I22-Y28 HydrophobicContact CG2-CG 4.45Å; Q26-Y28 VanDerWaalsContact O-CD1 3.27Å; Q26-Y28 WeakPolarHBondContact O-CD1 3.43Å; Y28-D30 PolarHBondContact O-N 3.02Å; Y28-A65 CarbonylContact O-C 3.48Å; Y28-A65 WeakPolarHBondContact O-CA 3.34Å; Y28-S66 WeakPolarHBondContact CD1-OG 3.32Å; Y28-S66 PolarHBondContact N-OG 3.3Å; Y28-S66 PolarHBondContact O-N 2.8Å; Y28-S66 PolarHBondContact O-OG 3.21Å; Y28-R226 PolarHBondContact OH-NH2 2.82Å | ||
| 29 | V | 93.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | B | Isolated β-bridge | trans | -75.8 | 120 | 175.1 | 173.2 | 0 | 0 | 0 | 0 | 110.1 | P31 V40 L48 F188 F199 | V29-P31 WeakPolarHBondContact O-CD 3.45Å; V29-V40 HydrophobicContact CG1-CG2 4.44Å; V29-L48 HydrophobicContact CB-CD2 3.84Å; V29-L48 HydrophobicContact CG1-CD2 3.56Å; V29-L48 HydrophobicContact CG2-CD1 3.79Å; V29-L48 HydrophobicContact CG2-CD2 3.64Å; V29-L48 HydrophobicContact CG2-CG 4.28Å; V29-F188 HydrophobicContact CB-CE2 4.27Å; V29-F188 HydrophobicContact CB-CZ 3.81Å; V29-F188 HydrophobicContact CG1-CE2 3.41Å; V29-F188 VanDerWaalsContact CG1-CE2 3.41Å; V29-F188 HydrophobicContact CG1-CZ 3.37Å; V29-F188 HydrophobicContact CG2-CE1 3.84Å; V29-F188 HydrophobicContact CG2-CE2 3.96Å; V29-F188 HydrophobicContact CG2-CZ 3.28Å; V29-F199 HydrophobicContact CG2-CE2 4.05Å; V29-F199 HydrophobicContact CG2-CZ 4.08Å |
| 30 | D | 91.5 | Very high | 87 | Confident | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | trans | -71.5 | 109.1 | -173.8 | -172.1 | -17 | 0 | 0 | 0 | 111.9 | Y28 Y32 N33 S34 K64 | Y28-D30 PolarHBondContact O-N 3.02Å; D30-Y32 PolarHBondContact O-N 2.72Å; D30-Y32 WeakPolarHBondContact OD1-CA 3.4Å; D30-Y32 VanDerWaalsContact OD1-CB 3.3Å; D30-Y32 WeakPolarHBondContact OD1-CB 3.43Å; D30-Y32 PolarHBondContact OD1-N 3.21Å; D30-N33 HydrophobicContact CB-CB 4.08Å; D30-N33 CarbonylContact O-C 3.58Å; D30-N33 PolarHBondContact O-N 2.57Å; D30-N33 PolarHBondContact OD1-N 2.88Å; D30-N33 PolarHBondContact OD2-ND2 3.25Å; D30-S34 WeakPolarHBondContact O-CB 3.43Å; D30-S34 PolarHBondContact O-N 2.86Å; D30-S34 PolarHBondContact O-OG 3.46Å; D30-K64 WeakPolarHBondContact CB-O 3.37Å; D30-K64 PolarHBondContact N-O 3.44Å | ||
| 31 | P | 87.4 | Confident | 87.7 | Confident | 7 Ų | 7 | 28.5 Ų | 28.5 | 5% | 0.045 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -68.7 | -14.7 | 177.9 | -17.7 | 33.2 | 0 | 0 | 0 | 113.1 | F17 I19 V29 R316 | F17-P31 HydrophobicContact CD1-CG 3.96Å; I19-P31 HydrophobicContact CD1-CB 4.23Å; I19-P31 HydrophobicContact CD1-CG 4.1Å; I19-P31 HydrophobicContact CG1-CB 4.31Å; I19-P31 HydrophobicContact CG1-CG 3.75Å; V29-P31 WeakPolarHBondContact O-CD 3.45Å; P31-R316 PolarHBondContact O-NH2 3.12Å |
| 32 | Y | 88.6 | Confident | 88.4 | Confident | 22 Ų | 22 | 24.1 Ų | 24.1 | 9% | 0.086 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -86.2 | -31.5 | 173.7 | 178 | -100.7 | 0 | 0 | 0 | 112.3 | D30 P228 P230 K315 R316 | D30-Y32 PolarHBondContact O-N 2.72Å; D30-Y32 WeakPolarHBondContact OD1-CA 3.4Å; D30-Y32 VanDerWaalsContact OD1-CB 3.3Å; D30-Y32 WeakPolarHBondContact OD1-CB 3.43Å; D30-Y32 PolarHBondContact OD1-N 3.21Å; Y32-P228 HydrophobicContact CD1-CB 4.21Å; Y32-P228 WeakPolarHBondContact CD1-O 3.38Å; Y32-P228 HydrophobicContact CE1-CB 3.84Å; Y32-P230 HydrophobicContact CD2-CB 3.62Å; Y32-P230 HydrophobicContact CE2-CB 4.09Å; Y32-P230 HydrophobicContact CG-CB 4.19Å; Y32-K315 VanDerWaalsContact CE2-O 3.31Å; Y32-K315 WeakPolarHBondContact CE2-O 3.49Å; Y32-R316 HydrophobicContact CD2-CG 3.7Å; Y32-R316 HydrophobicContact CE2-CB 4.11Å; Y32-R316 HydrophobicContact CE2-CG 3.62Å; Y32-R316 PolarHBondContact O-NE 3.19Å; Y32-R316 PolarHBondContact O-NH1 2.85Å; Y32-R316 PolarHBondContact O-NH2 3.02Å; Y32-R316 VanDerWaalsContact O-NH2 3.09Å |
| 33 | N | 89.9 | Confident | 89.1 | Confident | 16 Ų | 16 | 26.7 Ų | 26.7 | 9% | 0.086 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -99 | 19.7 | 176.6 | -73.9 | -57.3 | 0 | 0 | 0 | 113.8 | D30 N112 P228 R265 | D30-N33 HydrophobicContact CB-CB 4.08Å; D30-N33 CarbonylContact O-C 3.58Å; D30-N33 PolarHBondContact O-N 2.57Å; D30-N33 PolarHBondContact OD1-N 2.88Å; D30-N33 PolarHBondContact OD2-ND2 3.25Å; N33-N112 PolarHBondContact O-ND2 3.24Å; N33-N112 PolarHBondContact O-OD1 3.18Å; N33-P228 WeakPolarHBondContact ND2-CD 3.37Å; N33-R265 PolarHBondContact OD1-NH2 2.84Å |
| 34 | S | 93 | Very high | 89.7 | Confident | 4 Ų | 4 | 26.8 Ų | 26.8 | 3% | 0.028 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -106.9 | 156.3 | 176.3 | -63.8 | 0 | 0 | 0 | 0 | 112.9 | D30 G62 G63 R316 | D30-S34 WeakPolarHBondContact O-CB 3.43Å; D30-S34 PolarHBondContact O-N 2.86Å; D30-S34 PolarHBondContact O-OG 3.46Å; S34-G62 CarbonylContact C-O 3.46Å; S34-G62 WeakPolarHBondContact CA-O 3.27Å; S34-G63 WeakPolarHBondContact OG-CA 3.41Å; S34-R316 PolarHBondContact O-NH1 3.17Å; S34-R316 PolarHBondContact O-NH2 3.1Å |
| 35 | D | 95.3 | Very high | 90.3 | Very high | 13 Ų | 13 | 24.6 Ų | 24.6 | 7% | 0.07 | 15% | 0.151 | C | C | . | . | trans | -65.3 | 146.9 | 170.1 | -69.7 | -27 | 0 | 0 | 0 | 109.9 | N37 L38 G62 N112 | D35-N37 WeakPolarHBondContact CB-OD1 3.41Å; D35-N37 PolarHBondContact O-N 3.48Å; D35-N37 VanDerWaalsContact O-N 3.09Å; D35-L38 PolarHBondContact O-N 3.25Å; D35-G62 PolarHBondContact N-O 2.88Å; D35-G62 PolarHBondContact OD2-N 3.15Å; D35-N112 PolarHBondContact N-ND2 3.38Å; D35-N112 PolarHBondContact OD1-ND2 2.72Å | ||
| 36 | L | 93.8 | Very high | 90.8 | Very high | 9 Ų | 9 | 23.2 Ų | 23.2 | 5% | 0.047 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -22.6 | -176.9 | -64.5 | 172.8 | 0 | 0 | 0 | 113.5 | L267 L269 L307 L310 A311 R314 Y318 | L36-L267 HydrophobicContact CD1-CD2 3.8Å; L36-L267 HydrophobicContact CD2-CD2 4.43Å; L36-L267 HydrophobicContact CG-CD2 3.89Å; L36-L269 HydrophobicContact CD1-CD2 3.86Å; L36-L307 HydrophobicContact CB-CD2 3.75Å; L36-L307 HydrophobicContact CD1-CD2 4.3Å; L36-L310 HydrophobicContact CB-CB 4.27Å; L36-A311 HydrophobicContact CD1-CB 3.73Å; L36-R314 HydrophobicContact CD2-CG 4.01Å; L36-Y318 HydrophobicContact CD1-CE1 4.35Å |
| 37 | N | 95 | Very high | 91 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 10.3 | 179.4 | 66.5 | -45.3 | 0 | 0 | 0 | 114 | D35 P50 Y51 F56 L59 L60 A61 L307 | D35-N37 WeakPolarHBondContact CB-OD1 3.41Å; D35-N37 PolarHBondContact O-N 3.48Å; D35-N37 VanDerWaalsContact O-N 3.09Å; N37-P50 VanDerWaalsContact O-CA 3.29Å; N37-P50 WeakPolarHBondContact O-CA 3Å; N37-Y51 HydrophobicContact CB-CD2 3.79Å; N37-Y51 PolarHBondContact O-N 2.85Å; N37-F56 HydrophobicContact CB-CD1 3.79Å; N37-F56 HydrophobicContact CB-CE1 3.73Å; N37-L59 WeakPolarHBondContact ND2-CB 3.19Å; N37-L60 PolarHBondContact ND2-O 3.07Å; N37-A61 WeakPolarHBondContact ND2-CB 3.17Å; N37-L307 HydrophobicContact CB-CD2 4.27Å |
| 38 | L | 95.1 | Very high | 91 | Very high | 3 Ų | 3 | 21.2 Ų | 21.2 | 2% | 0.016 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 110.9 | 168.2 | -174.8 | 65.1 | 0 | 0 | 0 | 108.7 | D35 L48 A61 F188 | D35-L38 PolarHBondContact O-N 3.25Å; L38-L48 HydrophobicContact CD1-CB 4.36Å; L38-L48 HydrophobicContact CD1-CD2 4.37Å; L38-L48 HydrophobicContact CD2-CD2 3.88Å; L38-L48 HydrophobicContact CG-CD2 4.18Å; L38-A61 HydrophobicContact CB-CB 3.9Å; L38-A61 HydrophobicContact CD1-CB 4.23Å; L38-F188 HydrophobicContact CD2-CD2 4.06Å; L38-F188 HydrophobicContact CD2-CE2 3.94Å |
| 39 | F | 90.7 | Very high | 91.1 | Very high | 30 Ų | 30 | 23.9 Ų | 23.9 | 13% | 0.132 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 137.4 | -179.1 | 177.9 | -102.2 | 0 | 0 | 0 | 111.2 | E16 Q49 Y51 | E16-F39 HydrophobicContact CB-CE2 4.36Å; E16-F39 HydrophobicContact CG-CD2 4.36Å; E16-F39 HydrophobicContact CG-CE2 4.35Å; F39-Q49 HydrophobicContact CB-CG 4.4Å; F39-Q49 WeakPolarHBondContact CB-O 3.39Å; F39-Q49 HydrophobicContact CD1-CG 4.1Å; F39-Q49 PolarHBondContact N-O 2.87Å; F39-Q49 PolarHBondContact O-N 2.89Å; F39-Y51 HydrophobicContact CB-CE1 4.24Å; F39-Y51 HydrophobicContact CD2-CE1 4.45Å |
| 40 | V | 87.7 | Confident | 91.2 | Very high | 5 Ų | 5 | 24 Ų | 24 | 3% | 0.03 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 117 | 172.2 | -175.2 | 0 | 0 | 0 | 0 | 107.2 | F17 V29 P45 L48 | F17-V40 HydrophobicContact CB-CB 4.15Å; F17-V40 HydrophobicContact CB-CG1 3.88Å; F17-V40 WeakPolarHBondContact CB-O 3.46Å; F17-V40 HydrophobicContact CD1-CG1 4.16Å; F17-V40 HydrophobicContact CG-CG1 4.2Å; F17-V40 PolarHBondContact N-O 2.73Å; V29-V40 HydrophobicContact CG1-CG2 4.44Å; V40-P45 WeakPolarHBondContact CG1-O 3.32Å; V40-L48 HydrophobicContact CG2-CD2 3.54Å; V40-L48 HydrophobicContact CG2-CG 4.01Å |
| 41 | S | 83.2 | Confident | 91.3 | Very high | 20 Ų | 20 | 26 Ų | 26 | 14% | 0.14 | 15% | 0.151 | C | C | . | . | B | Isolated β-bridge | trans | -77.8 | 145.1 | 177.7 | 174 | 0 | 0 | 0 | 0 | 110.7 | D15 A43 E44 P45 | D15-S41 CarbonylContact O-C 3.42Å; D15-S41 WeakPolarHBondContact O-CA 3.47Å; S41-A43 PolarHBondContact O-N 3.44Å; S41-A43 PolarHBondContact OG-N 2.91Å; S41-A43 VanDerWaalsContact OG-N 3.14Å; S41-E44 CarbonylContact O-C 3.44Å; S41-E44 VanDerWaalsContact O-C 3.26Å; S41-E44 PolarHBondContact O-N 2.85Å; S41-P45 WeakPolarHBondContact O-CA 3.35Å |
| 42 | A | 80.9 | Confident | 91.5 | Very high | 55 Ų | 55 | 26 Ų | 26 | 46% | 0.455 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -62.4 | -31 | 171 | 0 | 0 | 0 | 0 | 0 | 113 | D15 | D15-A42 WeakPolarHBondContact O-CB 3.08Å; D15-A42 PolarHBondContact O-N 3.19Å |
| 43 | A | 85.8 | Confident | 91.6 | Very high | 89 Ų | 89 | 28.5 Ų | 28.5 | 74% | 0.736 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -73.4 | -31.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S41 | S41-A43 PolarHBondContact O-N 3.44Å; S41-A43 PolarHBondContact OG-N 2.91Å; S41-A43 VanDerWaalsContact OG-N 3.14Å |
| 44 | E | 89.8 | Confident | 91.6 | Very high | 97 Ų | 97 | 29.6 Ų | 29.6 | 45% | 0.453 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -129.7 | 69.1 | -178.8 | -58.1 | -170.2 | 107.6 | 0 | 0 | 110.7 | S41 F46 V47 K194 | S41-E44 CarbonylContact O-C 3.44Å; S41-E44 VanDerWaalsContact O-C 3.26Å; S41-E44 PolarHBondContact O-N 2.85Å; E44-F46 PolarHBondContact O-N 3Å; E44-V47 HydrophobicContact CB-CB 3.77Å; E44-V47 HydrophobicContact CB-CG2 3.85Å; E44-V47 PolarHBondContact O-N 2.85Å; E44-K194 IonicContact OE2-NZ 3.88Å; E44-K194 PolarHBondContact OE2-NZ 2.86Å |
| 45 | P | 90 | Very high | 91.6 | Very high | 30 Ų | 30 | 29.7 Ų | 29.7 | 20% | 0.195 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -7.7 | -167.2 | 28.3 | -37.1 | 0 | 0 | 0 | 115.4 | F17 V40 S41 | F17-P45 HydrophobicContact CD1-CB 4.48Å; F17-P45 HydrophobicContact CD2-CB 3.66Å; F17-P45 HydrophobicContact CE1-CB 4.11Å; F17-P45 HydrophobicContact CE2-CB 3.23Å; F17-P45 HydrophobicContact CE2-CG 4.15Å; F17-P45 HydrophobicContact CG-CB 4.24Å; F17-P45 HydrophobicContact CZ-CB 3.43Å; F17-P45 VanDerWaalsContact CZ-CB 3.43Å; F17-P45 HydrophobicContact CZ-CG 4.48Å; V40-P45 WeakPolarHBondContact CG1-O 3.32Å; S41-P45 WeakPolarHBondContact O-CA 3.35Å |
| 46 | F | 94.3 | Very high | 91.5 | Very high | 24 Ų | 24 | 29.6 Ų | 29.6 | 11% | 0.105 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | 1.9 | 176.6 | -63.1 | -72.8 | 0 | 0 | 0 | 112.8 | V27 E44 L48 E196 V197 F199 H201 | V27-F46 WeakPolarHBondContact O-CE1 3.32Å; E44-F46 PolarHBondContact O-N 3Å; F46-L48 WeakPolarHBondContact O-CD1 3.44Å; F46-E196 CarbonylContact O-C 3.53Å; F46-E196 VanDerWaalsContact O-CA 3.28Å; F46-E196 WeakPolarHBondContact O-CA 3.35Å; F46-V197 WeakPolarHBondContact CB-O 3.45Å; F46-V197 PolarHBondContact O-N 2.89Å; F46-F199 HydrophobicContact CD1-CD2 4.09Å; F46-F199 HydrophobicContact CD1-CE2 4.36Å; F46-F199 AromaticContact CE1-CD2 3.95Å; F46-F199 HydrophobicContact CE1-CD2 3.95Å; F46-F199 HydrophobicContact CE1-CE2 4.44Å; F46-H201 AromaticContact CD1-CE1 3.19Å; F46-H201 WeakPolarHBondContact CD1-CE1 3.45Å; F46-H201 AromaticContact CD1-ND1 3.6Å; F46-H201 AromaticContact CD1-NE2 3.87Å; F46-H201 AromaticContact CD2-CD2 3.79Å; F46-H201 AromaticContact CD2-CE1 3.48Å; F46-H201 VanDerWaalsContact CD2-CE1 3.48Å; F46-H201 WeakPolarHBondContact CD2-CE1 3.47Å; F46-H201 AromaticContact CD2-NE2 3.23Å; F46-H201 WeakPolarHBondContact CD2-NE2 3.49Å; F46-H201 AromaticContact CE1-CE1 3.54Å; F46-H201 AromaticContact CE1-ND1 3.45Å; F46-H201 WeakPolarHBondContact CE1-ND1 3.5Å; F46-H201 AromaticContact CE2-CD2 3.67Å; F46-H201 AromaticContact CE2-CE1 3.82Å; F46-H201 AromaticContact CE2-CG 3.94Å; F46-H201 AromaticContact CE2-NE2 3.62Å; F46-H201 AromaticContact CG-CE1 3.17Å; F46-H201 WeakPolarHBondContact CG-CE1 3.19Å; F46-H201 AromaticContact CG-ND1 3.96Å; F46-H201 AromaticContact CG-NE2 3.4Å; F46-H201 WeakPolarHBondContact CG-NE2 3.29Å; F46-H201 AromaticContact CZ-CE1 3.87Å; F46-H201 AromaticContact CZ-CG 3.84Å; F46-H201 AromaticContact CZ-ND1 3.71Å |
| 47 | V | 95.8 | Very high | 91.6 | Very high | 14 Ų | 14 | 29.1 Ų | 29.1 | 9% | 0.085 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 126.8 | 177.9 | -179.5 | 0 | 0 | 0 | 0 | 108.7 | E44 L81 K194 F195 E196 | E44-V47 HydrophobicContact CB-CB 3.77Å; E44-V47 HydrophobicContact CB-CG2 3.85Å; E44-V47 PolarHBondContact O-N 2.85Å; V47-L81 HydrophobicContact CG1-CD1 3.92Å; V47-L81 HydrophobicContact CG2-CD1 4.47Å; V47-K194 HydrophobicContact CG1-CD 4.13Å; V47-K194 HydrophobicContact CG1-CG 3.89Å; V47-F195 CarbonylContact C-O 3.57Å; V47-F195 WeakPolarHBondContact CA-O 3.33Å; V47-E196 HydrophobicContact CG2-CB 4.24Å; V47-E196 HydrophobicContact CG2-CG 3.93Å |
| 48 | L | 95.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 143.1 | -170.9 | -63 | 107.4 | 0 | 0 | 0 | 111.2 | V29 L38 V40 F46 F188 K194 F195 V197 | V29-L48 HydrophobicContact CB-CD2 3.84Å; V29-L48 HydrophobicContact CG1-CD2 3.56Å; V29-L48 HydrophobicContact CG2-CD1 3.79Å; V29-L48 HydrophobicContact CG2-CD2 3.64Å; V29-L48 HydrophobicContact CG2-CG 4.28Å; L38-L48 HydrophobicContact CD1-CB 4.36Å; L38-L48 HydrophobicContact CD1-CD2 4.37Å; L38-L48 HydrophobicContact CD2-CD2 3.88Å; L38-L48 HydrophobicContact CG-CD2 4.18Å; V40-L48 HydrophobicContact CG2-CD2 3.54Å; V40-L48 HydrophobicContact CG2-CG 4.01Å; F46-L48 WeakPolarHBondContact O-CD1 3.44Å; L48-F188 HydrophobicContact CD2-CD2 4.5Å; L48-F188 HydrophobicContact CD2-CE2 4.09Å; L48-K194 WeakPolarHBondContact O-CA 3.39Å; L48-F195 HydrophobicContact CB-CD1 4.23Å; L48-F195 HydrophobicContact CB-CD2 4.28Å; L48-F195 HydrophobicContact CB-CE1 3.7Å; L48-F195 HydrophobicContact CB-CE2 3.79Å; L48-F195 HydrophobicContact CB-CZ 3.47Å; L48-F195 VanDerWaalsContact CB-CZ 3.47Å; L48-F195 HydrophobicContact CD1-CD2 4.18Å; L48-F195 HydrophobicContact CD1-CE2 3.71Å; L48-F195 HydrophobicContact CD1-CZ 4.22Å; L48-F195 HydrophobicContact CD2-CZ 4.35Å; L48-F195 HydrophobicContact CG-CE2 4.22Å; L48-F195 HydrophobicContact CG-CZ 4.22Å; L48-F195 PolarHBondContact N-O 2.91Å; L48-F195 WeakPolarHBondContact O-CD1 3.49Å; L48-F195 PolarHBondContact O-N 2.87Å; L48-V197 HydrophobicContact CD1-CB 4.36Å; L48-V197 HydrophobicContact CD1-CG2 3.54Å |
| 49 | Q | 95.5 | Very high | 91.6 | Very high | 59 Ų | 59 | 29 Ų | 29 | 28% | 0.276 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 140.7 | 170.9 | 61.2 | -175.4 | 21.1 | 0 | 0 | 111.3 | F39 I84 K194 | F39-Q49 HydrophobicContact CB-CG 4.4Å; F39-Q49 WeakPolarHBondContact CB-O 3.39Å; F39-Q49 HydrophobicContact CD1-CG 4.1Å; F39-Q49 PolarHBondContact N-O 2.87Å; F39-Q49 PolarHBondContact O-N 2.89Å; Q49-I84 HydrophobicContact CB-CD1 3.94Å; Q49-K194 HydrophobicContact CB-CB 4.39Å; Q49-K194 HydrophobicContact CB-CG 4.3Å |
| 50 | P | 95.3 | Very high | 91.9 | Very high | 3 Ų | 3 | 27.6 Ų | 27.6 | 2% | 0.019 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 151 | 164.9 | -18.6 | 32.6 | 0 | 0 | 0 | 111.5 | N37 S52 A61 A190 V193 | N37-P50 VanDerWaalsContact O-CA 3.29Å; N37-P50 WeakPolarHBondContact O-CA 3Å; P50-S52 PolarHBondContact O-N 2.84Å; P50-S52 PolarHBondContact O-OG 2.89Å; P50-A61 HydrophobicContact CB-CB 3.76Å; P50-A61 HydrophobicContact CG-CB 4.02Å; P50-A190 HydrophobicContact CG-CB 3.6Å; P50-A190 WeakPolarHBondContact CG-O 3.36Å; P50-V193 WeakPolarHBondContact CD-O 3.49Å |
| 51 | Y | 93.5 | Very high | 92.4 | Very high | 45 Ų | 45 | 27.3 Ų | 27.3 | 18% | 0.176 | 17% | 0.168 | C | C | . | . | trans | -55.5 | 127.4 | 160.7 | -65.5 | -58.1 | 0 | 0 | 0 | 109.2 | L13 N37 F39 F56 L310 | L13-Y51 HydrophobicContact CD2-CE1 4.31Å; L13-Y51 WeakPolarHBondContact CD2-OH 3.49Å; N37-Y51 HydrophobicContact CB-CD2 3.79Å; N37-Y51 PolarHBondContact O-N 2.85Å; F39-Y51 HydrophobicContact CB-CE1 4.24Å; F39-Y51 HydrophobicContact CD2-CE1 4.45Å; Y51-F56 CarbonylContact O-C 3.59Å; Y51-F56 VanDerWaalsContact O-CB 3.3Å; Y51-F56 WeakPolarHBondContact O-CB 3.31Å; Y51-L310 HydrophobicContact CD2-CD1 4.09Å; Y51-L310 HydrophobicContact CE2-CD1 3.61Å; Y51-L310 HydrophobicContact CE2-CD2 4.23Å | ||
| 52 | S | 92.1 | Very high | 93.1 | Very high | 9 Ų | 9 | 26.4 Ų | 26.4 | 6% | 0.063 | 16% | 0.161 | C | C | . | . | trans | -125.1 | 20.9 | -170.7 | -58.9 | 0 | 0 | 0 | 0 | 112.4 | P50 N192 | P50-S52 PolarHBondContact O-N 2.84Å; P50-S52 PolarHBondContact O-OG 2.89Å; S52-N192 WeakPolarHBondContact CB-OD1 3.23Å; S52-N192 PolarHBondContact OG-OD1 2.99Å | ||
| 53 | V | 90.4 | Very high | 93.7 | Very high | 73 Ų | 73 | 23.8 Ų | 23.8 | 44% | 0.442 | 14% | 0.14 | S | C | . | . | B | Isolated β-bridge | trans | -106.5 | 141.5 | -177.9 | -177.8 | 0 | 0 | 0 | 0 | 110.6 | G55 F56 | V53-G55 PolarHBondContact O-N 2.86Å; V53-F56 WeakPolarHBondContact O-CB 3.32Å; V53-F56 PolarHBondContact O-N 2.95Å |
| 54 | S | 90.5 | Very high | 94.2 | Very high | 39 Ų | 39 | 19.9 Ų | 19.9 | 27% | 0.273 | 11% | 0.106 | S | C | . | . | G | 310 helix | trans | 49.6 | -128.8 | 179.1 | -50.4 | 0 | 0 | 0 | 0 | 112.2 | F56 A57 Q87 D88 | S54-F56 VanDerWaalsContact C-N 3.26Å; S54-F56 PolarHBondContact O-N 3.09Å; S54-A57 WeakPolarHBondContact O-CB 3.48Å; S54-A57 PolarHBondContact O-N 2.75Å; S54-Q87 PolarHBondContact N-O 3.26Å; S54-D88 WeakPolarHBondContact CA-O 3.39Å |
| 55 | G | 92.2 | Very high | 94.5 | Very high | 6 Ų | 6 | 15.3 Ų | 15.3 | 6% | 0.062 | 9% | 0.085 | C | C | . | . | G | 310 helix | trans | -66.2 | -22.9 | -179 | 0 | 0 | 0 | 0 | 0 | 115.1 | V53 A57 H58 L59 C303 | V53-G55 PolarHBondContact O-N 2.86Å; G55-A57 PolarHBondContact O-N 3.08Å; G55-H58 PolarHBondContact O-N 3.18Å; G55-H58 VanDerWaalsContact O-N 3.16Å; G55-L59 WeakPolarHBondContact O-CD1 3.4Å; G55-C303 WeakPolarHBondContact CA-SG 3.43Å |
| 56 | F | 94.8 | Very high | 94.7 | Very high | 11 Ų | 11 | 13.9 Ų | 13.9 | 5% | 0.048 | 8% | 0.076 | C | C | . | . | G | 310 helix | trans | -66 | -25.1 | -179.9 | -78.7 | -75.6 | 0 | 0 | 0 | 112.7 | N37 Y51 V53 S54 H58 L59 C303 K306 L307 L310 | N37-F56 HydrophobicContact CB-CD1 3.79Å; N37-F56 HydrophobicContact CB-CE1 3.73Å; Y51-F56 CarbonylContact O-C 3.59Å; Y51-F56 VanDerWaalsContact O-CB 3.3Å; Y51-F56 WeakPolarHBondContact O-CB 3.31Å; V53-F56 WeakPolarHBondContact O-CB 3.32Å; V53-F56 PolarHBondContact O-N 2.95Å; S54-F56 VanDerWaalsContact C-N 3.26Å; S54-F56 PolarHBondContact O-N 3.09Å; F56-H58 PolarHBondContact O-N 3.42Å; F56-L59 HydrophobicContact CD1-CD2 3.8Å; F56-L59 HydrophobicContact CE1-CD2 4.02Å; F56-L59 PolarHBondContact O-N 3.37Å; F56-C303 HydrophobicContact CE1-CB 4.49Å; F56-K306 HydrophobicContact CD2-CD 4.3Å; F56-K306 HydrophobicContact CE2-CB 3.47Å; F56-K306 VanDerWaalsContact CE2-CB 3.47Å; F56-K306 HydrophobicContact CE2-CD 3.61Å; F56-K306 HydrophobicContact CE2-CG 4.11Å; F56-K306 HydrophobicContact CZ-CB 3.63Å; F56-L307 HydrophobicContact CE1-CD2 3.87Å; F56-L307 HydrophobicContact CE1-CG 3.9Å; F56-L307 HydrophobicContact CZ-CD2 4.3Å; F56-L307 HydrophobicContact CZ-CG 4.08Å; F56-L310 HydrophobicContact CZ-CD1 4.41Å |
| 57 | A | 94.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.074 | C | C | . | . | G | 310 helix | trans | -56 | -19.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114 | S54 G55 T86 V89 W97 R191 N192 | S54-A57 WeakPolarHBondContact O-CB 3.48Å; S54-A57 PolarHBondContact O-N 2.75Å; G55-A57 PolarHBondContact O-N 3.08Å; A57-T86 HydrophobicContact CB-CG2 3.66Å; A57-V89 HydrophobicContact CB-CG1 3.76Å; A57-W97 HydrophobicContact CB-CH2 3.94Å; A57-W97 HydrophobicContact CB-CZ2 3.82Å; A57-R191 WeakPolarHBondContact O-CD 3.36Å; A57-R191 WeakPolarHBondContact O-CG 3.24Å; A57-N192 VanDerWaalsContact CA-OD1 3.29Å; A57-N192 WeakPolarHBondContact CA-OD1 3.32Å; A57-N192 PolarHBondContact O-ND2 3.13Å; A57-N192 PolarHBondContact O-OD1 3.39Å |
| 58 | H | 95.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.07 | C | C | . | . | G | 310 helix | trans | -93.9 | -14.7 | 176.8 | -61 | -82.5 | 0 | 0 | 0 | 113.8 | G55 F56 F91 W97 R191 M278 | G55-H58 PolarHBondContact O-N 3.18Å; G55-H58 VanDerWaalsContact O-N 3.16Å; F56-H58 PolarHBondContact O-N 3.42Å; H58-F91 AromaticContact CD2-CZ 4Å; H58-F91 AromaticContact CE1-CD2 3.63Å; H58-F91 AromaticContact CE1-CE1 3.89Å; H58-F91 AromaticContact CE1-CE2 3.35Å; H58-F91 WeakPolarHBondContact CE1-CE2 3.45Å; H58-F91 AromaticContact CE1-CZ 3.48Å; H58-F91 VanDerWaalsContact CE1-CZ 3.48Å; H58-F91 WeakPolarHBondContact CE1-CZ 3.47Å; H58-F91 PolarHBondContact CE1-O 3.04Å; H58-F91 AromaticContact CG-CZ 3.9Å; H58-F91 AromaticContact ND1-CE2 3.55Å; H58-F91 AromaticContact ND1-CZ 3.58Å; H58-F91 AromaticContact NE2-CD1 3.97Å; H58-F91 AromaticContact NE2-CE1 3.72Å; H58-F91 AromaticContact NE2-CZ 3.74Å; H58-F91 PolarHBondContact NE2-O 2.91Å; H58-F91 VanDerWaalsContact NE2-O 3.12Å; H58-W97 AromaticContact CE1-CH2 3.4Å; H58-W97 VanDerWaalsContact CE1-CH2 3.4Å; H58-W97 WeakPolarHBondContact CE1-CH2 3.31Å; H58-W97 AromaticContact CE1-CZ3 3.48Å; H58-W97 VanDerWaalsContact CE1-CZ3 3.48Å; H58-W97 WeakPolarHBondContact CE1-CZ3 3.46Å; H58-W97 AromaticContact ND1-CH2 3.66Å; H58-W97 AromaticContact ND1-CZ3 3.42Å; H58-W97 WeakPolarHBondContact ND1-CZ3 3.48Å; H58-W97 AromaticContact NE2-CH2 3.84Å; H58-R191 VanDerWaalsContact O-CZ 3.28Å; H58-R191 PolarHBondContact O-NE 3.48Å; H58-R191 VanDerWaalsContact O-NE 3.13Å; H58-R191 PolarHBondContact O-NH2 2.92Å; H58-M278 HydrophobicContact CB-CE 4.27Å; H58-M278 HydrophobicContact CB-CG 3.96Å; H58-M278 HydrophobicContact CB-SD 4.33Å; H58-M278 WeakPolarHBondContact O-CA 3.36Å |
| 59 | L | 96 | Very high | 94.7 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.071 | C | C | . | . | trans | -84.9 | 141.2 | -175.6 | -83.2 | 64.3 | 0 | 0 | 0 | 110.1 | N37 G55 F56 V274 Q277 M278 C303 L307 | N37-L59 WeakPolarHBondContact ND2-CB 3.19Å; G55-L59 WeakPolarHBondContact O-CD1 3.4Å; F56-L59 HydrophobicContact CD1-CD2 3.8Å; F56-L59 HydrophobicContact CE1-CD2 4.02Å; F56-L59 PolarHBondContact O-N 3.37Å; L59-V274 HydrophobicContact CD1-CG1 4.06Å; L59-V274 HydrophobicContact CD2-CG1 4.16Å; L59-V274 HydrophobicContact CG-CG1 4.35Å; L59-Q277 HydrophobicContact CB-CB 4.48Å; L59-Q277 HydrophobicContact CG-CB 4.18Å; L59-M278 HydrophobicContact CD1-CE 3.5Å; L59-M278 VanDerWaalsContact CD1-CE 3.5Å; L59-M278 HydrophobicContact CD1-CG 3.79Å; L59-M278 HydrophobicContact CG-CG 4.43Å; L59-C303 HydrophobicContact CD1-CB 4.33Å; L59-C303 HydrophobicContact CD2-CB 4.29Å; L59-L307 HydrophobicContact CD2-CD1 4.31Å | ||
| 60 | L | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 8% | 0.076 | C | C | . | . | trans | -74.4 | 142.9 | 158.7 | -65.2 | 165.3 | 0 | 0 | 0 | 108.4 | N37 R113 T189 R191 Q277 | N37-L60 PolarHBondContact ND2-O 3.07Å; L60-R113 HydrophobicContact CD1-CG 4.32Å; L60-T189 HydrophobicContact CB-CG2 3.82Å; L60-T189 HydrophobicContact CD1-CG2 4.39Å; L60-T189 HydrophobicContact CD2-CG2 3.89Å; L60-T189 HydrophobicContact CG-CG2 4.23Å; L60-R191 HydrophobicContact CD2-CB 4.18Å; L60-Q277 WeakPolarHBondContact CG-O 3.5Å; L60-Q277 PolarHBondContact N-O 3.31Å | ||
| 61 | A | 97.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 126.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | N37 L38 P50 T189 A190 | N37-A61 WeakPolarHBondContact ND2-CB 3.17Å; L38-A61 HydrophobicContact CB-CB 3.9Å; L38-A61 HydrophobicContact CD1-CB 4.23Å; P50-A61 HydrophobicContact CB-CB 3.76Å; P50-A61 HydrophobicContact CG-CB 4.02Å; A61-T189 CarbonylContact O-C 3.18Å; A61-T189 WeakPolarHBondContact O-CA 3.23Å; A61-A190 PolarHBondContact N-O 3.34Å; A61-A190 PolarHBondContact O-N 3.21Å |
| 62 | G | 97 | Very high | 94.4 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 170.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S34 D35 N112 F188 | S34-G62 CarbonylContact C-O 3.46Å; S34-G62 WeakPolarHBondContact CA-O 3.27Å; D35-G62 PolarHBondContact N-O 2.88Å; D35-G62 PolarHBondContact OD2-N 3.15Å; G62-N112 VanDerWaalsContact C-CB 3.45Å; G62-N112 WeakPolarHBondContact CA-O 3.35Å; G62-F188 CarbonylContact C-O 3.58Å; G62-F188 WeakPolarHBondContact CA-O 3.48Å |
| 63 | G | 95.3 | Very high | 94.6 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.5 | 180 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S34 S187 F188 | S34-G63 WeakPolarHBondContact OG-CA 3.41Å; G63-S187 WeakPolarHBondContact O-CA 3.33Å; G63-F188 VanDerWaalsContact CA-CE2 3.46Å; G63-F188 PolarHBondContact N-O 2.69Å; G63-F188 WeakPolarHBondContact O-CD2 3.32Å; G63-F188 WeakPolarHBondContact O-CE2 3.45Å; G63-F188 PolarHBondContact O-N 3.31Å |
| 64 | K | 95.3 | Very high | 94.9 | Very high | 6 Ų | 6 | 19.3 Ų | 19.3 | 3% | 0.026 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 158.3 | -178.7 | -56.4 | -175.4 | -169.6 | 173.7 | 0 | 109.8 | D30 S105 T106 E107 N112 F185 P186 | D30-K64 WeakPolarHBondContact CB-O 3.37Å; D30-K64 PolarHBondContact N-O 3.44Å; K64-S105 WeakPolarHBondContact CE-OG 3.36Å; K64-T106 PolarHBondContact NZ-O 2.99Å; K64-E107 PolarHBondContact NZ-O 3.28Å; K64-N112 WeakPolarHBondContact CE-OD1 3.47Å; K64-F185 HydrophobicContact CB-CB 4.25Å; K64-F185 HydrophobicContact CD-CB 4.37Å; K64-P186 CarbonylContact C-O 3.52Å; K64-P186 WeakPolarHBondContact CA-O 3.4Å |
| 65 | A | 96 | Very high | 95.3 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.008 | 10% | 0.096 | C | C | . | . | B | Isolated β-bridge | trans | -68.5 | 158.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V27 Y28 Y67 F185 P186 F199 | V27-A65 HydrophobicContact CG1-CB 3.86Å; Y28-A65 CarbonylContact O-C 3.48Å; Y28-A65 WeakPolarHBondContact O-CA 3.34Å; A65-Y67 PolarHBondContact O-N 2.78Å; A65-F185 WeakPolarHBondContact O-CD1 3.43Å; A65-P186 HydrophobicContact CB-CB 3.91Å; A65-P186 HydrophobicContact CB-CG 3.94Å; A65-P186 PolarHBondContact N-O 3.03Å; A65-F199 HydrophobicContact CB-CE1 3.84Å; A65-F199 HydrophobicContact CB-CZ 3.76Å |
| 66 | S | 94.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -69.3 | -13.4 | 177.8 | 58 | 0 | 0 | 0 | 0 | 113.9 | Y28 R226 G227 | Y28-S66 WeakPolarHBondContact CD1-OG 3.32Å; Y28-S66 PolarHBondContact N-OG 3.3Å; Y28-S66 PolarHBondContact O-N 2.8Å; Y28-S66 PolarHBondContact O-OG 3.21Å; S66-R226 WeakPolarHBondContact O-CD 3.38Å; S66-G227 PolarHBondContact O-N 3.27Å |
| 67 | Y | 95.5 | Very high | 95.8 | Very high | 19 Ų | 19 | 16.6 Ų | 16.6 | 8% | 0.075 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 142.2 | 177.8 | -74 | -84.7 | 0 | 0 | 0 | 111.7 | S24 V27 A65 F185 I216 R224 C225 R226 | S24-Y67 WeakPolarHBondContact O-CE2 3.41Å; S24-Y67 PolarHBondContact O-OH 3.02Å; V27-Y67 HydrophobicContact CG2-CD2 3.97Å; V27-Y67 HydrophobicContact CG2-CG 4.35Å; A65-Y67 PolarHBondContact O-N 2.78Å; Y67-F185 VanDerWaalsContact C-CE1 3.48Å; Y67-F185 WeakPolarHBondContact O-CD1 3.28Å; Y67-I216 WeakPolarHBondContact O-CD1 3.48Å; Y67-R224 HydrophobicContact CD1-CB 3.64Å; Y67-R224 HydrophobicContact CE1-CB 4.3Å; Y67-R224 HydrophobicContact CG-CB 4.22Å; Y67-C225 CarbonylContact C-O 3.6Å; Y67-C225 WeakPolarHBondContact CA-O 3.29Å; Y67-R226 HydrophobicContact CD1-CB 4.14Å; Y67-R226 HydrophobicContact CE1-CB 3.72Å; Y67-R226 HydrophobicContact CE1-CG 4.21Å |
| 68 | G | 95.4 | Very high | 96 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 170.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L184 F185 C225 | G68-L184 CarbonylContact C-O 3.5Å; G68-L184 WeakPolarHBondContact CA-O 3.21Å; G68-F185 VanDerWaalsContact N-CD1 3.31Å; G68-C225 PolarHBondContact N-O 2.93Å; G68-C225 PolarHBondContact O-N 3.23Å |
| 69 | V | 95.2 | Very high | 96.2 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.006 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 155.7 | 179.7 | -70.9 | 0 | 0 | 0 | 0 | 110.3 | V74 W104 F154 L184 I216 V219 R224 | V69-V74 HydrophobicContact CB-CG2 4.48Å; V69-V74 HydrophobicContact CG1-CG2 4.44Å; V69-V74 HydrophobicContact CG2-CB 4.24Å; V69-V74 HydrophobicContact CG2-CG1 4.27Å; V69-V74 HydrophobicContact CG2-CG2 4.15Å; V69-W104 HydrophobicContact CG2-CZ3 4.15Å; V69-F154 HydrophobicContact CB-CE2 4.36Å; V69-F154 HydrophobicContact CG2-CE2 3.77Å; V69-F154 HydrophobicContact CG2-CZ 4.04Å; V69-F154 VanDerWaalsContact O-CZ 3.29Å; V69-F154 WeakPolarHBondContact O-CZ 3.45Å; V69-L184 PolarHBondContact N-O 3.41Å; V69-L184 PolarHBondContact O-N 2.89Å; V69-I216 HydrophobicContact CG1-CD1 4.19Å; V69-I216 HydrophobicContact CG1-CG1 4.04Å; V69-V219 HydrophobicContact CG1-CG1 4.37Å; V69-R224 HydrophobicContact CG1-CG 4.35Å |
| 70 | A | 92.3 | Very high | 96.3 | Very high | 47 Ų | 47 | 18.2 Ų | 18.2 | 39% | 0.388 | 10% | 0.097 | S | C | . | . | S | Bend | trans | -128.4 | 1.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | F154 L183 | A70-F154 WeakPolarHBondContact O-CD1 3.32Å; A70-L183 HydrophobicContact CB-CD2 3.87Å |
| 71 | K | 91.8 | Very high | 96.3 | Very high | 113 Ų | 113 | 20.3 Ų | 20.3 | 49% | 0.491 | 11% | 0.109 | S | C | . | . | S | Bend | trans | -152.4 | 165.2 | -176.6 | 63.7 | 180 | -180 | 177.7 | 0 | 111.9 | F154 D223 | K71-F154 VanDerWaalsContact C-CD2 3.4Å; K71-D223 WeakPolarHBondContact CE-OD1 3.23Å; K71-D223 WeakPolarHBondContact CE-OD2 3.31Å; K71-D223 IonicContact NZ-OD1 2.79Å; K71-D223 PolarHBondContact NZ-OD1 2.82Å; K71-D223 IonicContact NZ-OD2 3.89Å; K71-D223 PolarHBondContact NZ-OD2 2.89Å |
| 72 | G | 93.1 | Very high | 96.3 | Very high | 43 Ų | 43 | 24.4 Ų | 24.4 | 44% | 0.443 | 13% | 0.128 | S | C | . | . | S | Bend | trans | 85.6 | -163.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | F154 | G72-F154 WeakPolarHBondContact O-CD2 3.43Å; G72-F154 PolarHBondContact O-N 2.83Å |
| 73 | R | 96.5 | Very high | 96.4 | Very high | 116 Ų | 116 | 27.9 Ų | 27.9 | 44% | 0.438 | 14% | 0.144 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 105.4 | 176 | -71.1 | -176.6 | -176.2 | 166.4 | 6.2 | 107.7 | V152 D153 G212 F213 S214 | R73-V152 CarbonylContact C-O 3.58Å; R73-V152 WeakPolarHBondContact CA-O 3.19Å; R73-D153 HydrophobicContact CG-CB 4.03Å; R73-D153 WeakPolarHBondContact CG-OD1 3.22Å; R73-D153 IonicContact CZ-OD2 3.69Å; R73-D153 IonicContact NE-OD1 2.85Å; R73-D153 IonicContact NE-OD2 3.73Å; R73-D153 PolarHBondContact NE-OD2 3.23Å; R73-D153 IonicContact NH2-OD2 3.31Å; R73-G212 WeakPolarHBondContact CB-O 3.19Å; R73-F213 HydrophobicContact CB-CD1 3.68Å; R73-F213 HydrophobicContact CB-CD2 4.19Å; R73-F213 HydrophobicContact CB-CE1 3.8Å; R73-F213 HydrophobicContact CB-CE2 4.31Å; R73-F213 HydrophobicContact CB-CG 3.89Å; R73-F213 HydrophobicContact CB-CZ 4.12Å; R73-F213 HydrophobicContact CG-CE1 4.34Å; R73-F213 HydrophobicContact CG-CE2 4.47Å; R73-F213 HydrophobicContact CG-CZ 4.26Å; R73-F213 WeakPolarHBondContact O-CA 3.35Å; R73-S214 PolarHBondContact O-N 3.15Å; R73-S214 PolarHBondContact O-OG 3.07Å |
| 74 | V | 97.8 | Very high | 96.4 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.012 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 142.1 | -166.3 | -172 | 0 | 0 | 0 | 0 | 109.9 | V69 W104 V152 S214 I216 V219 | V69-V74 HydrophobicContact CB-CG2 4.48Å; V69-V74 HydrophobicContact CG1-CG2 4.44Å; V69-V74 HydrophobicContact CG2-CB 4.24Å; V69-V74 HydrophobicContact CG2-CG1 4.27Å; V69-V74 HydrophobicContact CG2-CG2 4.15Å; V74-W104 HydrophobicContact CB-CH2 4.43Å; V74-W104 HydrophobicContact CG1-CH2 4.14Å; V74-V152 HydrophobicContact CB-CG1 4.05Å; V74-V152 PolarHBondContact N-O 3.09Å; V74-V152 PolarHBondContact O-N 3.37Å; V74-S214 CarbonylContact C-O 3.53Å; V74-S214 WeakPolarHBondContact CA-O 3.5Å; V74-I216 HydrophobicContact CG1-CB 3.64Å; V74-I216 HydrophobicContact CG1-CG1 4.05Å; V74-V219 HydrophobicContact CG1-CG2 4.08Å; V74-V219 HydrophobicContact CG2-CG2 3.91Å |
| 75 | G | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 163.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | C150 S214 F215 I216 | G75-C150 WeakPolarHBondContact CA-O 3.46Å; G75-S214 PolarHBondContact N-O 3.49Å; G75-F215 WeakPolarHBondContact O-CA 3.44Å; G75-I216 PolarHBondContact O-N 3.12Å |
| 76 | F | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 162.5 | 163.7 | 68.9 | -81.5 | 0 | 0 | 0 | 108.9 | V78 G103 W104 T149 C150 P186 V197 F199 | F76-V78 HydrophobicContact CD2-CG2 3.89Å; F76-V78 HydrophobicContact CE2-CG2 3.56Å; F76-G103 VanDerWaalsContact CZ-O 3.31Å; F76-G103 WeakPolarHBondContact CZ-O 3.47Å; F76-W104 AromaticContact CD1-CH2 3.79Å; F76-W104 HydrophobicContact CD1-CH2 3.79Å; F76-W104 AromaticContact CD1-CZ2 3.55Å; F76-W104 HydrophobicContact CD1-CZ2 3.55Å; F76-W104 HydrophobicContact CD1-CZ3 4.5Å; F76-W104 HydrophobicContact CE1-CD2 4.11Å; F76-W104 AromaticContact CE1-CE2 3.65Å; F76-W104 HydrophobicContact CE1-CE3 4.47Å; F76-W104 HydrophobicContact CE1-CH2 4.06Å; F76-W104 AromaticContact CE1-CZ2 3.63Å; F76-W104 HydrophobicContact CE1-CZ2 3.63Å; F76-W104 HydrophobicContact CE1-CZ3 4.47Å; F76-T149 CarbonylContact O-C 3.49Å; F76-T149 WeakPolarHBondContact O-CA 2.95Å; F76-C150 HydrophobicContact CD1-CB 3.81Å; F76-C150 HydrophobicContact CD2-CB 4.44Å; F76-C150 HydrophobicContact CE1-CB 3.34Å; F76-C150 HydrophobicContact CE2-CB 4.04Å; F76-C150 HydrophobicContact CG-CB 4.34Å; F76-C150 HydrophobicContact CZ-CB 3.46Å; F76-C150 VanDerWaalsContact CZ-CB 3.46Å; F76-C150 PolarHBondContact N-O 2.8Å; F76-C150 VanDerWaalsContact N-O 3.09Å; F76-C150 PolarHBondContact O-N 2.81Å; F76-P186 HydrophobicContact CD1-CB 3.74Å; F76-P186 HydrophobicContact CD1-CG 3.86Å; F76-P186 HydrophobicContact CD2-CB 4.28Å; F76-P186 HydrophobicContact CE1-CB 3.57Å; F76-P186 HydrophobicContact CE1-CG 4.06Å; F76-P186 HydrophobicContact CE2-CB 4.13Å; F76-P186 HydrophobicContact CG-CB 4.1Å; F76-P186 HydrophobicContact CG-CG 4.36Å; F76-P186 HydrophobicContact CZ-CB 3.78Å; F76-V197 HydrophobicContact CD2-CG1 4.11Å; F76-F199 HydrophobicContact CB-CD1 3.96Å; F76-F199 HydrophobicContact CB-CE1 4.48Å; F76-F199 HydrophobicContact CD2-CE1 4.35Å; F76-F199 HydrophobicContact CG-CD1 4.43Å; F76-F199 HydrophobicContact CG-CE1 4.48Å |
| 77 | E | 98.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 150.2 | 176.8 | -63.6 | 173.1 | 130.5 | 0 | 0 | 111.2 | V147 I148 T149 V197 N198 W206 F207 F215 | E77-V147 HydrophobicContact CB-CG1 4.04Å; E77-V147 HydrophobicContact CG-CG1 4.31Å; E77-I148 CarbonylContact C-O 3.5Å; E77-I148 VanDerWaalsContact CA-O 3.32Å; E77-I148 WeakPolarHBondContact CA-O 3.38Å; E77-T149 HydrophobicContact CG-CG2 4.14Å; E77-V197 CarbonylContact O-C 3.2Å; E77-V197 WeakPolarHBondContact O-CA 3.31Å; E77-N198 HydrophobicContact CB-CB 4.18Å; E77-N198 PolarHBondContact N-O 3.31Å; E77-N198 PolarHBondContact O-N 2.88Å; E77-N198 PolarHBondContact OE2-ND2 3.03Å; E77-W206 HydrophobicContact CB-CE3 3.63Å; E77-W206 HydrophobicContact CB-CZ3 3.74Å; E77-W206 HydrophobicContact CG-CE3 4.43Å; E77-W206 PolarHBondContact OE2-N 3.48Å; E77-F207 PolarHBondContact OE1-N 3.27Å; E77-F215 HydrophobicContact CG-CE1 3.93Å; E77-F215 HydrophobicContact CG-CZ 4.11Å |
| 78 | V | 98.8 | Very high | 95 | Very high | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.012 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 127 | 170.2 | -176.4 | 0 | 0 | 0 | 0 | 108.9 | F76 L100 I102 V147 I148 F195 E196 V197 | F76-V78 HydrophobicContact CD2-CG2 3.89Å; F76-V78 HydrophobicContact CE2-CG2 3.56Å; V78-L100 HydrophobicContact CG1-CD2 4.24Å; V78-I102 HydrophobicContact CB-CD1 4.19Å; V78-I102 HydrophobicContact CB-CG2 4.15Å; V78-I102 HydrophobicContact CG1-CG2 4.02Å; V78-I102 HydrophobicContact CG2-CB 4.39Å; V78-I102 HydrophobicContact CG2-CG2 3.91Å; V78-V147 WeakPolarHBondContact O-CA 3.46Å; V78-I148 PolarHBondContact N-O 2.95Å; V78-I148 PolarHBondContact O-N 2.87Å; V78-F195 HydrophobicContact CG1-CB 4.13Å; V78-F195 HydrophobicContact CG1-CD2 3.73Å; V78-F195 HydrophobicContact CG1-CG 4.31Å; V78-E196 CarbonylContact C-O 3.59Å; V78-E196 WeakPolarHBondContact CA-O 2.91Å; V78-V197 HydrophobicContact CG1-CG2 4.49Å; V78-V197 HydrophobicContact CG2-CG1 4.33Å; V78-V197 HydrophobicContact CG2-CG2 4.22Å |
| 79 | K | 98.7 | Very high | 94.8 | Very high | 30 Ų | 30 | 52.3 Ų | 52.3 | 13% | 0.13 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 121 | 170.7 | -172.8 | -175.1 | -66.8 | 155.3 | 0 | 109.3 | L81 M145 D146 V147 F195 E196 W206 | K79-L81 HydrophobicContact CD-CD2 3.72Å; K79-L81 HydrophobicContact CG-CD2 4.06Å; K79-L81 PolarHBondContact O-N 3.21Å; K79-M145 HydrophobicContact CD-CE 4.38Å; K79-D146 WeakPolarHBondContact CA-O 3.25Å; K79-V147 HydrophobicContact CB-CG2 4.04Å; K79-V147 HydrophobicContact CD-CG2 4.38Å; K79-V147 HydrophobicContact CG-CG2 3.9Å; K79-F195 CarbonylContact O-C 3.52Å; K79-F195 VanDerWaalsContact O-CA 3.26Å; K79-F195 WeakPolarHBondContact O-CA 3.47Å; K79-F195 WeakPolarHBondContact O-CB 3.28Å; K79-E196 HydrophobicContact CB-CB 4.46Å; K79-E196 PolarHBondContact N-O 2.86Å; K79-E196 IonicContact NZ-OE2 3.64Å; K79-E196 PolarHBondContact O-N 2.91Å; K79-W206 HydrophobicContact CB-CE3 4.22Å; K79-W206 HydrophobicContact CB-CH2 3.82Å; K79-W206 HydrophobicContact CB-CZ2 4.25Å; K79-W206 HydrophobicContact CB-CZ3 3.82Å |
| 80 | L | 98.7 | Very high | 94.3 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 119.7 | 169.3 | 177.6 | 53.6 | 0 | 0 | 0 | 107.6 | L100 F142 W143 P144 M145 D146 V193 | L80-L100 HydrophobicContact CB-CD2 4.21Å; L80-L100 HydrophobicContact CD1-CD2 3.97Å; L80-F142 HydrophobicContact CD2-CD2 4.15Å; L80-F142 HydrophobicContact CD2-CE2 4.38Å; L80-W143 VanDerWaalsContact CD2-C 3.49Å; L80-P144 HydrophobicContact CG-CG 4.46Å; L80-P144 CarbonylContact O-C 3.51Å; L80-P144 WeakPolarHBondContact O-CA 3.24Å; L80-M145 WeakPolarHBondContact O-CA 3.43Å; L80-M145 PolarHBondContact O-N 3.22Å; L80-D146 PolarHBondContact N-O 2.64Å; L80-D146 VanDerWaalsContact N-O 3.12Å; L80-V193 HydrophobicContact CD1-CB 3.82Å; L80-V193 HydrophobicContact CD1-CG1 4.1Å; L80-V193 HydrophobicContact CD1-CG2 4.46Å |
| 81 | L | 98.4 | Very high | 94.2 | Very high | 45 Ų | 45 | 54.8 Ų | 54.8 | 24% | 0.236 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | -49.4 | -175.6 | -64 | 179.8 | 0 | 0 | 0 | 111.6 | V47 K79 K194 E196 | V47-L81 HydrophobicContact CG1-CD1 3.92Å; V47-L81 HydrophobicContact CG2-CD1 4.47Å; K79-L81 HydrophobicContact CD-CD2 3.72Å; K79-L81 HydrophobicContact CG-CD2 4.06Å; K79-L81 PolarHBondContact O-N 3.21Å; L81-K194 WeakPolarHBondContact CA-O 3.41Å; L81-K194 HydrophobicContact CB-CB 4.41Å; L81-K194 HydrophobicContact CB-CG 4.49Å; L81-K194 WeakPolarHBondContact CB-O 3.37Å; L81-K194 HydrophobicContact CD1-CD 4.47Å; L81-K194 HydrophobicContact CD1-CG 4.17Å; L81-K194 PolarHBondContact N-O 3.17Å; L81-E196 HydrophobicContact CD1-CB 4.02Å; L81-E196 HydrophobicContact CD2-CB 4.24Å; L81-E196 HydrophobicContact CG-CB 4.17Å |
| 82 | E | 97.5 | Very high | 93.7 | Very high | 85 Ų | 85 | 55.3 Ų | 55.3 | 40% | 0.397 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 155.3 | -174.2 | 92.6 | -161.9 | 146.7 | 0 | 0 | 113.4 | I84 V193 K194 | E82-I84 HydrophobicContact CG-CG1 3.96Å; E82-V193 VanDerWaalsContact O-CA 3.32Å; E82-V193 WeakPolarHBondContact O-CA 3.43Å; E82-K194 HydrophobicContact CG-CB 3.64Å; E82-K194 PolarHBondContact N-O 2.88Å; E82-K194 PolarHBondContact O-N 2.89Å; E82-K194 VanDerWaalsContact OE1-CB 3.27Å; E82-K194 WeakPolarHBondContact OE1-CB 3.4Å; E82-K194 WeakPolarHBondContact OE1-CD 3.46Å |
| 83 | E | 97.2 | Very high | 93.1 | Very high | 73 Ų | 73 | 54.7 Ų | 54.7 | 34% | 0.341 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 109.4 | 164.6 | -77.3 | -176 | 173.5 | 0 | 0 | 108.8 | H98 P144 V193 | E83-H98 VanDerWaalsContact CB-CD2 3.41Å; E83-H98 WeakPolarHBondContact CB-CD2 3.4Å; E83-H98 HydrophobicContact CG-CB 3.99Å; E83-P144 HydrophobicContact CG-CG 3.99Å; E83-V193 HydrophobicContact CG-CG1 4.49Å |
| 84 | I | 95.2 | Very high | 92.2 | Very high | 27 Ų | 27 | 57 Ų | 57 | 14% | 0.138 | 27% | 0.274 | C | S | . | . | trans | -69.7 | 134.2 | -173.6 | -58.2 | 171.8 | 0 | 0 | 0 | 109.4 | Q49 E82 T86 H98 N192 K194 | Q49-I84 HydrophobicContact CB-CD1 3.94Å; E82-I84 HydrophobicContact CG-CG1 3.96Å; I84-T86 PolarHBondContact O-N 3.43Å; I84-H98 PolarHBondContact O-NE2 2.76Å; I84-N192 WeakPolarHBondContact CB-O 3.31Å; I84-N192 PolarHBondContact N-O 2.9Å; I84-K194 HydrophobicContact CD1-CB 4.39Å; I84-K194 HydrophobicContact CG1-CB 4.47Å | ||
| 85 | K | 92.4 | Very high | 91.5 | Very high | 189 Ų | 189 | 61.1 Ų | 61.1 | 82% | 0.822 | 30% | 0.298 | S | S | * | . | trans | -82 | 116 | 171.4 | -69.1 | -178.6 | -177.3 | 173.9 | 0 | 109.5 | ||||
| 86 | T | 90.1 | Very high | 90.8 | Very high | 26 Ų | 26 | 62.2 Ų | 62.2 | 16% | 0.16 | 31% | 0.306 | C | S | . | . | trans | -82.7 | 142.1 | 179.6 | 58.4 | 0 | 0 | 0 | 0 | 111 | A57 I84 W97 N192 | A57-T86 HydrophobicContact CB-CG2 3.66Å; I84-T86 PolarHBondContact O-N 3.43Å; T86-W97 HydrophobicContact CG2-CZ2 3.85Å; T86-W97 PolarHBondContact OG1-NE1 2.79Å; T86-N192 HydrophobicContact CG2-CB 4.12Å; T86-N192 VanDerWaalsContact CG2-CG 3.44Å; T86-N192 WeakPolarHBondContact CG2-OD1 3.13Å | ||
| 87 | Q | 84 | Confident | 90.5 | Very high | 133 Ų | 133 | 62.7 Ų | 62.7 | 62% | 0.621 | 31% | 0.308 | S | S | * | . | B | Isolated β-bridge | trans | -122.1 | 156.6 | 177 | -58.2 | -176.9 | 29.6 | 0 | 0 | 110.6 | S54 V89 | S54-Q87 PolarHBondContact N-O 3.26Å; Q87-V89 VanDerWaalsContact C-N 3.32Å; Q87-V89 PolarHBondContact O-N 3.06Å |
| 88 | D | 86.2 | Confident | 90.4 | Very high | 124 Ų | 124 | 64.9 Ų | 64.9 | 66% | 0.663 | 32% | 0.318 | S | S | * | . | S | Bend | trans | 54.5 | 38.4 | 172.2 | -54 | -44.6 | 0 | 0 | 0 | 116 | S54 | S54-D88 WeakPolarHBondContact CA-O 3.39Š|
| 89 | V | 90.1 | Very high | 90.3 | Very high | 41 Ų | 41 | 64.8 Ų | 64.8 | 25% | 0.248 | 32% | 0.317 | C | S | . | . | trans | -81.4 | 129.9 | 177.3 | -63.3 | 0 | 0 | 0 | 0 | 111.4 | A57 Q87 F91 K92 W97 | A57-V89 HydrophobicContact CB-CG1 3.76Å; Q87-V89 VanDerWaalsContact C-N 3.32Å; Q87-V89 PolarHBondContact O-N 3.06Å; V89-F91 PolarHBondContact O-N 2.86Å; V89-K92 HydrophobicContact CG2-CB 4.32Å; V89-W97 HydrophobicContact CG1-CH2 4.34Å; V89-W97 HydrophobicContact CG1-CZ2 4.17Å | ||
| 90 | D | 86.6 | Confident | 90.3 | Very high | 74 Ų | 74 | 63.4 Ų | 63.4 | 40% | 0.396 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -65.8 | -24.8 | 179.3 | -75.8 | -37.6 | 0 | 0 | 0 | 112.2 | I295 T299 K302 | D90-I295 HydrophobicContact CB-CG2 3.81Å; D90-T299 PolarHBondContact OD2-OG1 3.2Å; D90-K302 IonicContact OD1-NZ 3.28Å; D90-K302 PolarHBondContact OD1-NZ 3.19Å; D90-K302 IonicContact OD2-NZ 2.99Å; D90-K302 PolarHBondContact OD2-NZ 3.32Å |
| 91 | F | 88.8 | Confident | 90.3 | Very high | 27 Ų | 27 | 63.4 Ų | 63.4 | 12% | 0.118 | 31% | 0.311 | C | S | . | . | trans | -154.7 | 158.8 | 174.2 | 63.7 | -77.5 | 0 | 0 | 0 | 109.8 | H58 V89 H289 I295 V296 T299 | H58-F91 AromaticContact CD2-CZ 4Å; H58-F91 AromaticContact CE1-CD2 3.63Å; H58-F91 AromaticContact CE1-CE1 3.89Å; H58-F91 AromaticContact CE1-CE2 3.35Å; H58-F91 WeakPolarHBondContact CE1-CE2 3.45Å; H58-F91 AromaticContact CE1-CZ 3.48Å; H58-F91 VanDerWaalsContact CE1-CZ 3.48Å; H58-F91 WeakPolarHBondContact CE1-CZ 3.47Å; H58-F91 PolarHBondContact CE1-O 3.04Å; H58-F91 AromaticContact CG-CZ 3.9Å; H58-F91 AromaticContact ND1-CE2 3.55Å; H58-F91 AromaticContact ND1-CZ 3.58Å; H58-F91 AromaticContact NE2-CD1 3.97Å; H58-F91 AromaticContact NE2-CE1 3.72Å; H58-F91 AromaticContact NE2-CZ 3.74Å; H58-F91 PolarHBondContact NE2-O 2.91Å; H58-F91 VanDerWaalsContact NE2-O 3.12Å; V89-F91 PolarHBondContact O-N 2.86Å; F91-H289 AromaticContact CD2-CE1 3.65Å; F91-H289 AromaticContact CD2-ND1 3.93Å; F91-H289 AromaticContact CE2-CE1 3.97Å; F91-H289 AromaticContact CE2-ND1 3.93Å; F91-I295 HydrophobicContact CD1-CG2 3.94Å; F91-V296 HydrophobicContact CE1-CB 4.32Å; F91-V296 HydrophobicContact CE1-CG1 4.43Å; F91-V296 HydrophobicContact CE1-CG2 4.01Å; F91-V296 HydrophobicContact CE2-CG2 4.1Å; F91-V296 HydrophobicContact CZ-CB 4.21Å; F91-V296 HydrophobicContact CZ-CG1 3.96Å; F91-V296 HydrophobicContact CZ-CG2 3.77Å; F91-T299 HydrophobicContact CE1-CG2 4.24Å | ||
| 92 | K | 82.7 | Confident | 90.3 | Very high | 123 Ų | 123 | 61.2 Ų | 61.2 | 54% | 0.535 | 30% | 0.3 | S | S | . | . | trans | -135.6 | 131.7 | 176.3 | -169.7 | 175.7 | -179.9 | -176.8 | 0 | 111.2 | V89 W97 | V89-K92 HydrophobicContact CG2-CB 4.32Å; K92-W97 HydrophobicContact CG-CZ2 4.39Å | ||
| 93 | E | 79.6 | Confident | 90.4 | Very high | 30 Ų | 30 | 57.2 Ų | 57.2 | 14% | 0.14 | 28% | 0.281 | C | S | . | . | trans | -124.4 | 122.2 | 170.2 | -62 | -171.8 | 136.9 | 0 | 0 | 107.9 | V95 R285 H289 | E93-V95 PolarHBondContact O-N 2.92Å; E93-R285 IonicContact OE2-CZ 3.47Å; E93-R285 IonicContact OE2-NH1 2.64Å; E93-R285 PolarHBondContact OE2-NH1 2.96Å; E93-H289 VanDerWaalsContact OE1-CA 3.24Å; E93-H289 WeakPolarHBondContact OE1-CA 3.25Å; E93-H289 IonicContact OE1-CG 3.2Å; E93-H289 IonicContact OE1-ND1 2.78Å; E93-H289 PolarHBondContact OE1-ND1 3.46Å | ||
| 94 | E | 77.7 | Confident | 90.4 | Very high | 166 Ų | 166 | 53.7 Ų | 53.7 | 78% | 0.776 | 27% | 0.265 | S | S | * | . | trans | -72 | -18.4 | -171.6 | -63.2 | -170.2 | 156.9 | 0 | 0 | 113.8 | C96 W97 | E94-C96 PolarHBondContact O-N 2.9Å; E94-W97 PolarHBondContact O-N 3.46Å | ||
| 95 | V | 82.2 | Confident | 90.4 | Very high | 87 Ų | 87 | 52.7 Ų | 52.7 | 53% | 0.527 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | 118 | -175.4 | -177 | 0 | 0 | 0 | 0 | 110.9 | E93 W97 I280 | E93-V95 PolarHBondContact O-N 2.92Å; V95-W97 PolarHBondContact O-N 2.86Å; V95-I280 HydrophobicContact CG1-CG2 4.19Å |
| 96 | C | 83.7 | Confident | 90.4 | Very high | 23 Ų | 23 | 43.8 Ų | 43.8 | 16% | 0.155 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 42.9 | -178.3 | -55 | 0 | 0 | 0 | 0 | 111.9 | E94 H98 R191 I280 | E94-C96 PolarHBondContact O-N 2.9Å; C96-H98 VanDerWaalsContact C-N 3.32Å; C96-R191 PolarHBondContact O-NH1 3.12Å; C96-I280 HydrophobicContact CB-CG2 3.9Å |
| 97 | W | 93.9 | Very high | 90.2 | Very high | 10 Ų | 10 | 45.6 Ų | 45.6 | 4% | 0.038 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -65.1 | -39.9 | 177.1 | -167.3 | -112 | 0 | 0 | 0 | 111.7 | A57 H58 T86 V89 K92 E94 V95 N192 | A57-W97 HydrophobicContact CB-CH2 3.94Å; A57-W97 HydrophobicContact CB-CZ2 3.82Å; H58-W97 AromaticContact CE1-CH2 3.4Å; H58-W97 VanDerWaalsContact CE1-CH2 3.4Å; H58-W97 WeakPolarHBondContact CE1-CH2 3.31Å; H58-W97 AromaticContact CE1-CZ3 3.48Å; H58-W97 VanDerWaalsContact CE1-CZ3 3.48Å; H58-W97 WeakPolarHBondContact CE1-CZ3 3.46Å; H58-W97 AromaticContact ND1-CH2 3.66Å; H58-W97 AromaticContact ND1-CZ3 3.42Å; H58-W97 WeakPolarHBondContact ND1-CZ3 3.48Å; H58-W97 AromaticContact NE2-CH2 3.84Å; T86-W97 HydrophobicContact CG2-CZ2 3.85Å; T86-W97 PolarHBondContact OG1-NE1 2.79Å; V89-W97 HydrophobicContact CG1-CH2 4.34Å; V89-W97 HydrophobicContact CG1-CZ2 4.17Å; K92-W97 HydrophobicContact CG-CZ2 4.39Å; E94-W97 PolarHBondContact O-N 3.46Å; V95-W97 PolarHBondContact O-N 2.86Å; W97-N192 WeakPolarHBondContact O-CB 3.3Å; W97-N192 PolarHBondContact O-ND2 3.14Å |
| 98 | H | 96.3 | Very high | 89.9 | Confident | 47 Ų | 47 | 43.9 Ų | 43.9 | 22% | 0.218 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -106.3 | 112.3 | 171.4 | -59.5 | 93.2 | 0 | 0 | 0 | 108.7 | E83 I84 C96 N125 N192 V193 | E83-H98 VanDerWaalsContact CB-CD2 3.41Å; E83-H98 WeakPolarHBondContact CB-CD2 3.4Å; E83-H98 HydrophobicContact CG-CB 3.99Å; I84-H98 PolarHBondContact O-NE2 2.76Å; C96-H98 VanDerWaalsContact C-N 3.32Å; H98-N125 PolarHBondContact O-ND2 3.31Å; H98-N192 PolarHBondContact CD2-O 3.4Å; H98-V193 HydrophobicContact CB-CG1 3.98Å |
| 99 | E | 97.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 126.4 | -173.4 | -171.6 | 169.8 | -174.3 | 0 | 0 | 109.8 | R101 A190 R191 V193 | E99-R101 HydrophobicContact CG-CG 4.31Å; E99-R101 IonicContact OE1-CZ 2.81Å; E99-R101 IonicContact OE1-NE 3.84Å; E99-R101 PolarHBondContact OE1-NE 2.8Å; E99-R101 IonicContact OE1-NH2 3.1Å; E99-R101 PolarHBondContact OE1-NH2 3.34Å; E99-R101 IonicContact OE2-NH2 3.09Å; E99-A190 CarbonylContact O-C 3.58Å; E99-A190 VanDerWaalsContact O-CA 3.23Å; E99-A190 WeakPolarHBondContact O-CA 3.37Å; E99-R191 HydrophobicContact CB-CB 4.24Å; E99-R191 PolarHBondContact N-O 3.3Å; E99-R191 PolarHBondContact O-N 3.41Å; E99-R191 IonicContact OE2-NH1 3.09Å; E99-V193 WeakPolarHBondContact O-CG2 3.16Å |
| 100 | L | 98.5 | Very high | 88.5 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 125.1 | 168.9 | -177.8 | 53.6 | 0 | 0 | 0 | 108.7 | V78 L80 I102 C124 N125 F142 A190 V193 F195 | V78-L100 HydrophobicContact CG1-CD2 4.24Å; L80-L100 HydrophobicContact CB-CD2 4.21Å; L80-L100 HydrophobicContact CD1-CD2 3.97Å; L100-I102 HydrophobicContact CD1-CG2 3.91Å; L100-I102 HydrophobicContact CD2-CG2 4.35Å; L100-I102 HydrophobicContact CG-CG2 3.96Å; L100-C124 CarbonylContact O-C 2.95Å; L100-C124 VanDerWaalsContact O-CA 3.31Å; L100-C124 WeakPolarHBondContact O-CA 3.38Å; L100-N125 HydrophobicContact CB-CB 4.3Å; L100-N125 PolarHBondContact N-OD1 3.21Å; L100-N125 VanDerWaalsContact N-OD1 3.12Å; L100-N125 PolarHBondContact O-N 2.94Å; L100-N125 PolarHBondContact O-OD1 3.14Å; L100-F142 HydrophobicContact CB-CE2 4.4Å; L100-F142 HydrophobicContact CD2-CE2 4.15Å; L100-F142 HydrophobicContact CG-CE2 4.42Å; L100-A190 HydrophobicContact CD1-CB 4.13Å; L100-V193 HydrophobicContact CB-CG2 4.13Å; L100-F195 HydrophobicContact CD1-CD1 3.91Å; L100-F195 HydrophobicContact CD1-CD2 4.4Å; L100-F195 HydrophobicContact CD1-CE1 4.06Å; L100-F195 HydrophobicContact CD1-CG 4.09Å; L100-F195 HydrophobicContact CD1-CZ 4.34Å; L100-F195 HydrophobicContact CD2-CB 3.95Å; L100-F195 HydrophobicContact CD2-CG 4.2Å |
| 101 | R | 98.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 129.8 | 172.8 | -49.2 | -174.2 | -170.2 | 158.7 | 8.5 | 108.4 | E99 L114 E116 A122 Y123 F188 T189 | E99-R101 HydrophobicContact CG-CG 4.31Å; E99-R101 IonicContact OE1-CZ 2.81Å; E99-R101 IonicContact OE1-NE 3.84Å; E99-R101 PolarHBondContact OE1-NE 2.8Å; E99-R101 IonicContact OE1-NH2 3.1Å; E99-R101 PolarHBondContact OE1-NH2 3.34Å; E99-R101 IonicContact OE2-NH2 3.09Å; R101-L114 HydrophobicContact CB-CB 4.33Å; R101-L114 HydrophobicContact CB-CD2 4.21Å; R101-L114 VanDerWaalsContact CD-O 3.32Å; R101-L114 WeakPolarHBondContact CD-O 3.05Å; R101-L114 PolarHBondContact NH1-O 3.02Å; R101-E116 IonicContact CZ-OE1 3.47Å; R101-E116 IonicContact NH1-OE1 2.68Å; R101-E116 PolarHBondContact NH1-OE1 2.82Å; R101-E116 IonicContact NH2-OE1 3.36Å; R101-A122 HydrophobicContact CB-CB 4.25Å; R101-Y123 WeakPolarHBondContact CA-O 3.23Å; R101-F188 CarbonylContact O-C 3.57Å; R101-F188 VanDerWaalsContact O-CA 3.28Å; R101-F188 WeakPolarHBondContact O-CA 3.43Å; R101-T189 PolarHBondContact N-O 3.4Å; R101-T189 PolarHBondContact O-N 3.28Å |
| 102 | I | 98.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 148.4 | -177.8 | 53.5 | 178 | 0 | 0 | 0 | 110.9 | V78 L100 L114 Y123 F142 I148 | V78-I102 HydrophobicContact CB-CD1 4.19Å; V78-I102 HydrophobicContact CB-CG2 4.15Å; V78-I102 HydrophobicContact CG1-CG2 4.02Å; V78-I102 HydrophobicContact CG2-CB 4.39Å; V78-I102 HydrophobicContact CG2-CG2 3.91Å; L100-I102 HydrophobicContact CD1-CG2 3.91Å; L100-I102 HydrophobicContact CD2-CG2 4.35Å; L100-I102 HydrophobicContact CG-CG2 3.96Å; I102-L114 VanDerWaalsContact C-CD2 3.4Å; I102-Y123 PolarHBondContact N-O 3.01Å; I102-Y123 PolarHBondContact O-N 2.63Å; I102-F142 HydrophobicContact CD1-CZ 4.1Å; I102-F142 HydrophobicContact CG1-CZ 4.4Å; I102-I148 HydrophobicContact CD1-CB 3.38Å; I102-I148 HydrophobicContact CD1-CG1 3.79Å; I102-I148 HydrophobicContact CD1-CG2 3.44Å; I102-I148 VanDerWaalsContact CD1-CG2 3.44Å |
| 103 | G | 98.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 153 | -135.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | F76 Y121 S187 | F76-G103 VanDerWaalsContact CZ-O 3.31Å; F76-G103 WeakPolarHBondContact CZ-O 3.47Å; G103-Y121 WeakPolarHBondContact CA-O 3.39Å; G103-S187 PolarHBondContact N-O 2.54Å; G103-S187 VanDerWaalsContact N-O 3.09Å; G103-S187 PolarHBondContact O-N 3.05Å |
| 104 | W | 96.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 138.6 | -168 | -58.3 | 91.3 | 0 | 0 | 0 | 111 | V69 V74 F76 Y121 V152 I159 L184 F185 P186 I216 | V69-W104 HydrophobicContact CG2-CZ3 4.15Å; V74-W104 HydrophobicContact CB-CH2 4.43Å; V74-W104 HydrophobicContact CG1-CH2 4.14Å; F76-W104 AromaticContact CD1-CH2 3.79Å; F76-W104 HydrophobicContact CD1-CH2 3.79Å; F76-W104 AromaticContact CD1-CZ2 3.55Å; F76-W104 HydrophobicContact CD1-CZ2 3.55Å; F76-W104 HydrophobicContact CD1-CZ3 4.5Å; F76-W104 HydrophobicContact CE1-CD2 4.11Å; F76-W104 AromaticContact CE1-CE2 3.65Å; F76-W104 HydrophobicContact CE1-CE3 4.47Å; F76-W104 HydrophobicContact CE1-CH2 4.06Å; F76-W104 AromaticContact CE1-CZ2 3.63Å; F76-W104 HydrophobicContact CE1-CZ2 3.63Å; F76-W104 HydrophobicContact CE1-CZ3 4.47Å; W104-Y121 PolarHBondContact N-O 2.99Å; W104-Y121 PolarHBondContact O-N 3.23Å; W104-V152 HydrophobicContact CD2-CB 4.33Å; W104-V152 HydrophobicContact CD2-CG1 4.19Å; W104-V152 HydrophobicContact CE3-CG1 4.33Å; W104-V152 HydrophobicContact CH2-CG1 3.71Å; W104-V152 HydrophobicContact CZ2-CB 4.09Å; W104-V152 HydrophobicContact CZ2-CG1 3.54Å; W104-V152 HydrophobicContact CZ3-CG1 4.09Å; W104-I159 HydrophobicContact CB-CD1 4.06Å; W104-I159 HydrophobicContact CG-CD1 4.25Å; W104-L184 HydrophobicContact CB-CB 4.35Å; W104-L184 HydrophobicContact CB-CD1 3.97Å; W104-L184 HydrophobicContact CB-CD2 4.2Å; W104-L184 HydrophobicContact CB-CG 4.42Å; W104-L184 HydrophobicContact CE3-CB 3.87Å; W104-L184 HydrophobicContact CG-CD1 4.32Å; W104-F185 WeakPolarHBondContact CA-O 3.3Å; W104-P186 HydrophobicContact CE3-CG 4.28Å; W104-P186 HydrophobicContact CH2-CG 4.11Å; W104-P186 HydrophobicContact CZ3-CG 3.7Å; W104-I216 HydrophobicContact CZ3-CD1 4.46Å |
| 105 | S | 95.1 | Very high | 91.1 | Very high | 5 Ų | 5 | 26.2 Ų | 26.2 | 4% | 0.035 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 159.7 | 171.1 | 75.6 | 0 | 0 | 0 | 0 | 111.7 | K64 F185 S187 | K64-S105 WeakPolarHBondContact CE-OG 3.36Å; S105-F185 PolarHBondContact N-O 3.04Å; S105-F185 PolarHBondContact O-N 3.15Å; S105-S187 WeakPolarHBondContact CB-OG 3.22Å; S105-S187 PolarHBondContact N-OG 3.11Å; S105-S187 WeakPolarHBondContact OG-CB 3.5Å; S105-S187 PolarHBondContact OG-OG 3.06Å |
| 106 | T | 92.4 | Very high | 91.8 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.012 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 158.7 | 174.8 | 51.3 | 0 | 0 | 0 | 0 | 111.8 | K64 D108 S109 C119 K182 L183 L184 | K64-T106 PolarHBondContact NZ-O 2.99Å; T106-D108 VanDerWaalsContact C-N 3.31Å; T106-D108 WeakPolarHBondContact CB-OD1 3.34Å; T106-D108 PolarHBondContact O-N 3.39Å; T106-D108 PolarHBondContact OG1-OD1 3.47Å; T106-S109 PolarHBondContact O-N 2.94Å; T106-S109 PolarHBondContact O-OG 2.65Å; T106-S109 VanDerWaalsContact O-OG 3.07Å; T106-C119 HydrophobicContact CG2-CB 3.62Å; T106-C119 PolarHBondContact N-O 3.34Å; T106-K182 HydrophobicContact CG2-CB 3.92Å; T106-K182 HydrophobicContact CG2-CD 3.85Å; T106-L183 WeakPolarHBondContact CA-O 3.02Å; T106-L184 HydrophobicContact CG2-CD2 4.02Å |
| 107 | E | 86.8 | Confident | 92.2 | Very high | 64 Ų | 64 | 24.2 Ų | 24.2 | 30% | 0.299 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -40 | -178.8 | -159 | -151.9 | 143.6 | 0 | 0 | 112.8 | K64 S109 F185 P228 R265 | K64-E107 PolarHBondContact NZ-O 3.28Å; E107-S109 PolarHBondContact O-N 3.29Å; E107-F185 HydrophobicContact CB-CD2 4.41Å; E107-F185 HydrophobicContact CB-CE2 3.81Å; E107-F185 HydrophobicContact CB-CZ 4.49Å; E107-F185 HydrophobicContact CG-CE2 4.16Å; E107-F185 HydrophobicContact CG-CZ 4.38Å; E107-P228 HydrophobicContact CG-CG 4.44Å; E107-P228 WeakPolarHBondContact OE1-CD 3.38Å; E107-P228 WeakPolarHBondContact OE1-CG 3.46Å; E107-R265 IonicContact OE1-CZ 3.92Å; E107-R265 IonicContact OE1-NH1 3.14Å; E107-R265 PolarHBondContact OE1-NH1 3.38Å; E107-R265 IonicContact OE1-NH2 3.25Å |
| 108 | D | 77.6 | Confident | 92 | Very high | 98 Ų | 98 | 31.5 Ų | 31.5 | 52% | 0.524 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | 4.7 | -175.8 | 63.3 | -9.8 | 0 | 0 | 0 | 114.9 | T106 A110 K182 | T106-D108 VanDerWaalsContact C-N 3.31Å; T106-D108 WeakPolarHBondContact CB-OD1 3.34Å; T106-D108 PolarHBondContact O-N 3.39Å; T106-D108 PolarHBondContact OG1-OD1 3.47Å; D108-A110 PolarHBondContact O-N 2.85Å; D108-A110 VanDerWaalsContact O-N 3.12Å; D108-K182 IonicContact OD2-NZ 2.72Å; D108-K182 PolarHBondContact OD2-NZ 2.84Å |
| 109 | S | 72.3 | Confident | 91.7 | Very high | 16 Ų | 16 | 29.6 Ų | 29.6 | 11% | 0.112 | 16% | 0.161 | C | C | . | . | trans | -62.5 | 115.3 | 175.3 | -62 | 0 | 0 | 0 | 0 | 110.6 | T106 E107 H111 | T106-S109 PolarHBondContact O-N 2.94Å; T106-S109 PolarHBondContact O-OG 2.65Å; T106-S109 VanDerWaalsContact O-OG 3.07Å; E107-S109 PolarHBondContact O-N 3.29Å; S109-H111 PolarHBondContact O-N 3.22Å | ||
| 110 | A | 75.8 | Confident | 91.6 | Very high | 95 Ų | 95 | 29.7 Ų | 29.7 | 79% | 0.785 | 16% | 0.162 | S | C | * | . | S | Bend | trans | -61.6 | -14 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | D108 L117 | D108-A110 PolarHBondContact O-N 2.85Å; D108-A110 VanDerWaalsContact O-N 3.12Å; A110-L117 HydrophobicContact CB-CD1 4.46Å |
| 111 | H | 87.4 | Confident | 91.5 | Very high | 43 Ų | 43 | 30.5 Ų | 30.5 | 20% | 0.199 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -157 | 160.4 | 175.7 | 54.9 | 78.3 | 0 | 0 | 0 | 110.4 | S109 R113 | S109-H111 PolarHBondContact O-N 3.22Å; H111-R113 VanDerWaalsContact C-N 3.27Å; H111-R113 PolarHBondContact CD2-NH2 2.88Å; H111-R113 PolarHBondContact CE1-NE 3.12Å; H111-R113 PolarHBondContact CE1-NH2 3.02Å; H111-R113 VanDerWaalsContact CE1-NH2 3.31Å; H111-R113 VanDerWaalsContact CG-NH2 3.27Å; H111-R113 WeakPolarHBondContact ND1-CB 3.26Å; H111-R113 VanDerWaalsContact ND1-CZ 3.32Å; H111-R113 PolarHBondContact ND1-N 2.67Å; H111-R113 PolarHBondContact ND1-NE 2.83Å; H111-R113 PolarHBondContact ND1-NH2 2.75Å; H111-R113 PolarHBondContact NE2-NH2 2.86Å; H111-R113 PolarHBondContact O-N 3.23Å; H111-R113 VanDerWaalsContact O-N 3.15Å |
| 112 | N | 92.6 | Very high | 91.5 | Very high | 24 Ų | 24 | 30.5 Ų | 30.5 | 13% | 0.128 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -89.2 | 40.8 | -177.6 | -65.5 | -41.8 | 0 | 0 | 0 | 114 | N33 D35 G62 K64 T189 | N33-N112 PolarHBondContact O-ND2 3.24Å; N33-N112 PolarHBondContact O-OD1 3.18Å; D35-N112 PolarHBondContact N-ND2 3.38Å; D35-N112 PolarHBondContact OD1-ND2 2.72Å; G62-N112 VanDerWaalsContact C-CB 3.45Å; G62-N112 WeakPolarHBondContact CA-O 3.35Å; K64-N112 WeakPolarHBondContact CE-OD1 3.47Å; N112-T189 PolarHBondContact O-OG1 2.79Å |
| 113 | R | 95.5 | Very high | 91.5 | Very high | 32 Ų | 32 | 30.5 Ų | 30.5 | 12% | 0.121 | 17% | 0.166 | C | C | . | . | trans | -101.8 | 87.6 | 175.3 | -57.2 | -177.2 | -67.5 | -87.2 | 2.1 | 109.8 | L60 H111 G115 E116 | L60-R113 HydrophobicContact CD1-CG 4.32Å; H111-R113 VanDerWaalsContact C-N 3.27Å; H111-R113 PolarHBondContact CD2-NH2 2.88Å; H111-R113 PolarHBondContact CE1-NE 3.12Å; H111-R113 PolarHBondContact CE1-NH2 3.02Å; H111-R113 VanDerWaalsContact CE1-NH2 3.31Å; H111-R113 VanDerWaalsContact CG-NH2 3.27Å; H111-R113 WeakPolarHBondContact ND1-CB 3.26Å; H111-R113 VanDerWaalsContact ND1-CZ 3.32Å; H111-R113 PolarHBondContact ND1-N 2.67Å; H111-R113 PolarHBondContact ND1-NE 2.83Å; H111-R113 PolarHBondContact ND1-NH2 2.75Å; H111-R113 PolarHBondContact NE2-NH2 2.86Å; H111-R113 PolarHBondContact O-N 3.23Å; H111-R113 VanDerWaalsContact O-N 3.15Å; R113-G115 PolarHBondContact O-N 2.84Å; R113-E116 HydrophobicContact CB-CB 4.25Å; R113-E116 VanDerWaalsContact CB-CD 3.43Å; R113-E116 HydrophobicContact CB-CG 4.04Å; R113-E116 WeakPolarHBondContact CB-OE2 3.4Å; R113-E116 VanDerWaalsContact CD-OE2 3.23Å; R113-E116 WeakPolarHBondContact CD-OE2 3.24Å; R113-E116 IonicContact CZ-OE2 3.54Å; R113-E116 IonicContact NE-OE2 3.78Å; R113-E116 PolarHBondContact NE-OE2 2.81Å; R113-E116 WeakPolarHBondContact O-CB 3.38Å; R113-E116 PolarHBondContact O-N 2.81Å; R113-E116 VanDerWaalsContact O-N 3.12Å | ||
| 114 | L | 97.4 | Very high | 91.5 | Very high | 4 Ų | 4 | 30.5 Ų | 30.5 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 131 | -174.7 | -170.4 | 66.5 | 0 | 0 | 0 | 110.9 | R101 I102 A122 S187 T189 | R101-L114 HydrophobicContact CB-CB 4.33Å; R101-L114 HydrophobicContact CB-CD2 4.21Å; R101-L114 VanDerWaalsContact CD-O 3.32Å; R101-L114 WeakPolarHBondContact CD-O 3.05Å; R101-L114 PolarHBondContact NH1-O 3.02Å; I102-L114 VanDerWaalsContact C-CD2 3.4Å; L114-A122 HydrophobicContact CB-CB 4.35Å; L114-A122 HydrophobicContact CD2-CB 3.87Å; L114-A122 HydrophobicContact CG-CB 3.65Å; L114-S187 WeakPolarHBondContact CD2-O 3.46Å; L114-T189 VanDerWaalsContact CB-OG1 3.3Å; L114-T189 WeakPolarHBondContact CB-OG1 3.26Å; L114-T189 PolarHBondContact N-OG1 3.14Å |
| 115 | G | 96.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.6 | -9.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | R113 S120 T131 G132 N133 | R113-G115 PolarHBondContact O-N 2.84Å; G115-S120 PolarHBondContact N-OG 3.4Å; G115-T131 CarbonylContact O-C 3.58Å; G115-T131 VanDerWaalsContact O-CA 3.3Å; G115-T131 WeakPolarHBondContact O-CA 3.43Å; G115-T131 PolarHBondContact O-N 3.39Å; G115-G132 PolarHBondContact O-N 3.09Å; G115-G132 VanDerWaalsContact O-N 3.17Å; G115-N133 PolarHBondContact O-N 2.87Å |
| 116 | E | 96.1 | Very high | 91.7 | Very high | 21 Ų | 21 | 32.7 Ų | 32.7 | 10% | 0.098 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -88.7 | -16.2 | -177.7 | -64.9 | -177.1 | -160.2 | 0 | 0 | 113.9 | R101 R113 N133 F135 | R101-E116 IonicContact CZ-OE1 3.47Å; R101-E116 IonicContact NH1-OE1 2.68Å; R101-E116 PolarHBondContact NH1-OE1 2.82Å; R101-E116 IonicContact NH2-OE1 3.36Å; R113-E116 HydrophobicContact CB-CB 4.25Å; R113-E116 VanDerWaalsContact CB-CD 3.43Å; R113-E116 HydrophobicContact CB-CG 4.04Å; R113-E116 WeakPolarHBondContact CB-OE2 3.4Å; R113-E116 VanDerWaalsContact CD-OE2 3.23Å; R113-E116 WeakPolarHBondContact CD-OE2 3.24Å; R113-E116 IonicContact CZ-OE2 3.54Å; R113-E116 IonicContact NE-OE2 3.78Å; R113-E116 PolarHBondContact NE-OE2 2.81Å; R113-E116 WeakPolarHBondContact O-CB 3.38Å; R113-E116 PolarHBondContact O-N 2.81Å; R113-E116 VanDerWaalsContact O-N 3.12Å; E116-N133 WeakPolarHBondContact O-CB 3.5Å; E116-N133 PolarHBondContact O-N 3.22Å; E116-F135 HydrophobicContact CG-CE2 4.34Å; E116-F135 HydrophobicContact CG-CZ 4.28Å |
| 117 | L | 92.6 | Very high | 91.9 | Very high | 47 Ų | 47 | 33 Ų | 33 | 25% | 0.246 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -108.3 | 164.4 | 176.4 | -64.7 | 175.6 | 0 | 0 | 0 | 111.4 | A110 S120 G132 | A110-L117 HydrophobicContact CB-CD1 4.46Å; L117-S120 VanDerWaalsContact O-CB 3.26Å; L117-S120 WeakPolarHBondContact O-CB 3.28Å; L117-G132 WeakPolarHBondContact O-CA 3.42Å; L117-G132 PolarHBondContact O-N 2.82Å |
| 118 | E | 89.1 | Confident | 92.5 | Very high | 162 Ų | 162 | 32.5 Ų | 32.5 | 76% | 0.757 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 152.5 | 165.1 | -64.6 | -171.4 | 173 | 0 | 0 | 110.2 | S120 | E118-S120 PolarHBondContact O-N 3.26Å; E118-S120 VanDerWaalsContact O-N 3.13Å |
| 119 | C | 90.7 | Very high | 93.5 | Very high | 7 Ų | 7 | 30.2 Ų | 30.2 | 5% | 0.047 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 24.7 | -175.9 | -50.1 | 0 | 0 | 0 | 0 | 114.4 | T106 Y121 | T106-C119 HydrophobicContact CG2-CB 3.62Å; T106-C119 PolarHBondContact N-O 3.34Å; C119-Y121 VanDerWaalsContact C-CE2 3.44Å; C119-Y121 HydrophobicContact CB-CE2 4.49Å |
| 120 | S | 94.6 | Very high | 94.7 | Very high | 3 Ų | 3 | 29.4 Ų | 29.4 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 115.5 | 178.3 | -166.1 | 0 | 0 | 0 | 0 | 108.5 | G115 L117 E118 T131 | G115-S120 PolarHBondContact N-OG 3.4Å; L117-S120 VanDerWaalsContact O-CB 3.26Å; L117-S120 WeakPolarHBondContact O-CB 3.28Å; E118-S120 PolarHBondContact O-N 3.26Å; E118-S120 VanDerWaalsContact O-N 3.13Å; S120-T131 VanDerWaalsContact O-CA 3.24Å; S120-T131 WeakPolarHBondContact O-CA 3.31Å; S120-T131 WeakPolarHBondContact O-CB 3.3Å; S120-T131 PolarHBondContact O-OG1 3.24Å |
| 121 | Y | 96.4 | Very high | 95.6 | Very high | 18 Ų | 18 | 27 Ų | 27 | 7% | 0.071 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 111.1 | -167.4 | -57.5 | -78.6 | 0 | 0 | 0 | 110.3 | G103 W104 C119 I159 F172 L174 F179 | G103-Y121 WeakPolarHBondContact CA-O 3.39Å; W104-Y121 PolarHBondContact N-O 2.99Å; W104-Y121 PolarHBondContact O-N 3.23Å; C119-Y121 VanDerWaalsContact C-CE2 3.44Å; C119-Y121 HydrophobicContact CB-CE2 4.49Å; Y121-I159 HydrophobicContact CD1-CD1 4.33Å; Y121-I159 HydrophobicContact CD2-CD1 3.58Å; Y121-I159 HydrophobicContact CE2-CD1 4.36Å; Y121-I159 HydrophobicContact CG-CD1 3.57Å; Y121-F172 HydrophobicContact CD1-CB 3.86Å; Y121-F172 AromaticContact CD1-CD1 3.62Å; Y121-F172 HydrophobicContact CD1-CD1 3.62Å; Y121-F172 AromaticContact CD1-CD2 3.91Å; Y121-F172 HydrophobicContact CD1-CD2 3.91Å; Y121-F172 HydrophobicContact CD1-CE1 4.03Å; Y121-F172 HydrophobicContact CD1-CE2 4.3Å; Y121-F172 AromaticContact CD1-CG 3.52Å; Y121-F172 HydrophobicContact CD1-CG 3.52Å; Y121-F172 HydrophobicContact CD1-CZ 4.33Å; Y121-F172 HydrophobicContact CE1-CB 4.24Å; Y121-F172 HydrophobicContact CE1-CD1 4.25Å; Y121-F172 HydrophobicContact CE1-CG 4.28Å; Y121-F172 HydrophobicContact CG-CD2 4.25Å; Y121-F172 HydrophobicContact CG-CG 4.3Å; Y121-L174 HydrophobicContact CD2-CD2 4.47Å; Y121-L174 HydrophobicContact CE1-CD2 4.22Å; Y121-L174 HydrophobicContact CE2-CD2 4.05Å; Y121-F179 HydrophobicContact CD2-CZ 4.39Å; Y121-F179 AromaticContact CE2-CE2 3.91Å; Y121-F179 HydrophobicContact CE2-CE2 3.91Å; Y121-F179 AromaticContact CE2-CZ 3.49Å; Y121-F179 HydrophobicContact CE2-CZ 3.49Å; Y121-F179 VanDerWaalsContact CE2-CZ 3.49Å; Y121-F179 AromaticContact CZ-CE2 3.9Å; Y121-F179 AromaticContact CZ-CZ 3.96Å; Y121-F179 WeakPolarHBondContact OH-CE2 3.33Å |
| 122 | A | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 139.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R101 L114 K129 A130 F172 | R101-A122 HydrophobicContact CB-CB 4.25Å; L114-A122 HydrophobicContact CB-CB 4.35Å; L114-A122 HydrophobicContact CD2-CB 3.87Å; L114-A122 HydrophobicContact CG-CB 3.65Å; A122-K129 CarbonylContact O-C 3.54Å; A122-K129 WeakPolarHBondContact O-CA 3.38Å; A122-A130 HydrophobicContact CB-CB 4.06Å; A122-A130 PolarHBondContact N-O 3.13Å; A122-A130 PolarHBondContact O-N 2.52Å; A122-F172 WeakPolarHBondContact O-CZ 3.42Å |
| 123 | Y | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 131.3 | 155.9 | 178.4 | -143.9 | 0 | 0 | 0 | 108.7 | R101 I102 K128 W138 E140 F142 I148 F161 L168 | R101-Y123 WeakPolarHBondContact CA-O 3.23Å; I102-Y123 PolarHBondContact N-O 3.01Å; I102-Y123 PolarHBondContact O-N 2.63Å; Y123-K128 WeakPolarHBondContact CD2-O 3.38Å; Y123-W138 HydrophobicContact CD1-CZ3 4.28Å; Y123-W138 AromaticContact CD2-CE3 3.71Å; Y123-W138 HydrophobicContact CD2-CE3 3.71Å; Y123-W138 AromaticContact CD2-CZ3 3.75Å; Y123-W138 HydrophobicContact CD2-CZ3 3.75Å; Y123-W138 HydrophobicContact CE1-CZ3 4.36Å; Y123-W138 AromaticContact CE2-CE3 3.85Å; Y123-W138 HydrophobicContact CE2-CE3 3.85Å; Y123-W138 AromaticContact CE2-CZ3 3.88Å; Y123-W138 HydrophobicContact CE2-CZ3 3.88Å; Y123-W138 HydrophobicContact CG-CE3 4.36Å; Y123-W138 AromaticContact CG-CZ3 3.99Å; Y123-W138 HydrophobicContact CG-CZ3 3.99Å; Y123-E140 PolarHBondContact OH-N 2.9Å; Y123-E140 VanDerWaalsContact OH-N 3.11Å; Y123-E140 PolarHBondContact OH-O 3.1Å; Y123-F142 HydrophobicContact CD1-CD1 4.49Å; Y123-F142 AromaticContact CD1-CE1 3.95Å; Y123-F142 HydrophobicContact CD1-CE1 3.95Å; Y123-F142 AromaticContact CE1-CD1 3.84Å; Y123-F142 HydrophobicContact CE1-CD1 3.84Å; Y123-F142 AromaticContact CE1-CE1 3.76Å; Y123-F142 HydrophobicContact CE1-CE1 3.76Å; Y123-F142 HydrophobicContact CE2-CE1 4.42Å; Y123-F142 HydrophobicContact CG-CE1 4.38Å; Y123-F142 AromaticContact CZ-CD1 3.89Å; Y123-F142 AromaticContact CZ-CE1 4Å; Y123-I148 HydrophobicContact CD1-CG2 4Å; Y123-I148 HydrophobicContact CE1-CD1 4.18Å; Y123-I148 HydrophobicContact CE1-CG2 4.21Å; Y123-F161 HydrophobicContact CD1-CB 3.94Å; Y123-F161 AromaticContact CD1-CD1 3.83Å; Y123-F161 HydrophobicContact CD1-CD1 3.83Å; Y123-F161 HydrophobicContact CD1-CD2 4.3Å; Y123-F161 HydrophobicContact CD1-CE1 4.42Å; Y123-F161 AromaticContact CD1-CG 3.76Å; Y123-F161 HydrophobicContact CD1-CG 3.76Å; Y123-F161 HydrophobicContact CE1-CB 4.29Å; Y123-F161 HydrophobicContact CG-CD1 4.29Å; Y123-F161 HydrophobicContact CG-CD2 4.28Å; Y123-F161 HydrophobicContact CG-CG 4.18Å; Y123-L168 HydrophobicContact CE1-CD1 3.56Å; Y123-L168 VanDerWaalsContact OH-CD1 3.25Å; Y123-L168 WeakPolarHBondContact OH-CD1 3.47Å |
| 124 | C | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 145.3 | -171.1 | -49.6 | 0 | 0 | 0 | 0 | 110.4 | L100 N126 G127 K128 F142 | L100-C124 CarbonylContact O-C 2.95Å; L100-C124 VanDerWaalsContact O-CA 3.31Å; L100-C124 WeakPolarHBondContact O-CA 3.38Å; C124-N126 WeakPolarHBondContact CB-OD1 3.37Å; C124-N126 PolarHBondContact O-N 2.8Å; C124-G127 PolarHBondContact O-N 3.49Å; C124-K128 HydrophobicContact CB-CB 4.35Å; C124-K128 WeakPolarHBondContact CB-O 3.32Å; C124-K128 PolarHBondContact N-O 2.99Å; C124-K128 PolarHBondContact SG-O 3.07Å; C124-F142 VanDerWaalsContact C-CE1 3.47Å; C124-F142 WeakPolarHBondContact O-CE1 3.48Å |
| 125 | N | 98.3 | Very high | 96.2 | Very high | 8 Ų | 8 | 33 Ų | 33 | 4% | 0.043 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -24.7 | 178.9 | 66.3 | -40.4 | 0 | 0 | 0 | 114.8 | H98 L100 G127 N141 F142 | H98-N125 PolarHBondContact O-ND2 3.31Å; L100-N125 HydrophobicContact CB-CB 4.3Å; L100-N125 PolarHBondContact N-OD1 3.21Å; L100-N125 VanDerWaalsContact N-OD1 3.12Å; L100-N125 PolarHBondContact O-N 2.94Å; L100-N125 PolarHBondContact O-OD1 3.14Å; N125-G127 VanDerWaalsContact C-N 3.3Å; N125-G127 PolarHBondContact O-N 2.67Å; N125-N141 CarbonylContact O-C 3.46Å; N125-N141 VanDerWaalsContact O-CA 3.22Å; N125-N141 WeakPolarHBondContact O-CA 3.48Å; N125-F142 HydrophobicContact CB-CD1 4.46Å; N125-F142 HydrophobicContact CB-CD2 3.83Å; N125-F142 HydrophobicContact CB-CE1 4.16Å; N125-F142 HydrophobicContact CB-CE2 3.45Å; N125-F142 VanDerWaalsContact CB-CE2 3.45Å; N125-F142 HydrophobicContact CB-CG 4.32Å; N125-F142 HydrophobicContact CB-CZ 3.64Å; N125-F142 VanDerWaalsContact N-CZ 3.29Å; N125-F142 PolarHBondContact O-N 2.98Å |
| 126 | N | 97.1 | Very high | 96.3 | Very high | 42 Ų | 42 | 35.5 Ų | 35.5 | 23% | 0.225 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 25.6 | 177.2 | 66.9 | 2.8 | 0 | 0 | 0 | 114.9 | C124 K128 N141 Q281 | C124-N126 WeakPolarHBondContact CB-OD1 3.37Å; C124-N126 PolarHBondContact O-N 2.8Å; N126-K128 PolarHBondContact O-N 3.03Å; N126-N141 PolarHBondContact O-OD1 3.48Å; N126-Q281 PolarHBondContact ND2-NE2 3.43Å; N126-Q281 PolarHBondContact OD1-NE2 2.8Å |
| 127 | G | 97.9 | Very high | 96.4 | Very high | 8 Ų | 8 | 39.9 Ų | 39.9 | 8% | 0.082 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 68 | 38.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | C124 N125 P137 W138 E140 N141 | C124-G127 PolarHBondContact O-N 3.49Å; N125-G127 VanDerWaalsContact C-N 3.3Å; N125-G127 PolarHBondContact O-N 2.67Å; G127-P137 WeakPolarHBondContact O-CA 3.43Å; G127-W138 CarbonylContact C-O 3.53Å; G127-W138 PolarHBondContact O-N 3.36Å; G127-E140 VanDerWaalsContact CA-O 3.23Å; G127-E140 WeakPolarHBondContact CA-O 3.45Å; G127-N141 WeakPolarHBondContact CA-OD1 3.49Å; G127-N141 PolarHBondContact N-OD1 3.47Å |
| 128 | K | 98.4 | Very high | 96.7 | Very high | 55 Ų | 55 | 39.6 Ų | 39.6 | 24% | 0.239 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 149.6 | 174.1 | -62.6 | -167.8 | -169.7 | 176.5 | 0 | 111.2 | Y123 C124 N126 F135 T136 | Y123-K128 WeakPolarHBondContact CD2-O 3.38Å; C124-K128 HydrophobicContact CB-CB 4.35Å; C124-K128 WeakPolarHBondContact CB-O 3.32Å; C124-K128 PolarHBondContact N-O 2.99Å; C124-K128 PolarHBondContact SG-O 3.07Å; N126-K128 PolarHBondContact O-N 3.03Å; K128-F135 HydrophobicContact CD-CB 4.3Å; K128-T136 CarbonylContact C-O 3.53Å; K128-T136 WeakPolarHBondContact CA-O 3.46Å; K128-T136 WeakPolarHBondContact CB-O 3.49Å |
| 129 | K | 98.5 | Very high | 97.1 | Very high | 49 Ų | 49 | 33.9 Ų | 33.9 | 21% | 0.213 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 149.9 | 163.5 | 74 | 178.9 | 175.8 | -174.3 | 0 | 110.7 | A122 F135 T136 W138 A171 F172 | A122-K129 CarbonylContact O-C 3.54Å; A122-K129 WeakPolarHBondContact O-CA 3.38Å; K129-F135 WeakPolarHBondContact O-CA 3.43Å; K129-T136 WeakPolarHBondContact CG-OG1 3.49Å; K129-T136 PolarHBondContact N-O 2.83Å; K129-T136 PolarHBondContact O-N 2.81Å; K129-W138 HydrophobicContact CB-CB 3.93Å; K129-W138 HydrophobicContact CB-CD2 4.36Å; K129-W138 HydrophobicContact CB-CE3 4.28Å; K129-W138 HydrophobicContact CB-CG 4.24Å; K129-W138 HydrophobicContact CD-CB 3.76Å; K129-W138 HydrophobicContact CD-CD2 4.11Å; K129-W138 HydrophobicContact CD-CG 3.6Å; K129-W138 HydrophobicContact CG-CB 3.64Å; K129-W138 HydrophobicContact CG-CG 4.03Å; K129-A171 HydrophobicContact CD-CB 4.3Å; K129-A171 WeakPolarHBondContact CD-O 3.12Å; K129-A171 PolarHBondContact NZ-O 2.93Å; K129-F172 HydrophobicContact CB-CE1 4.21Å; K129-F172 HydrophobicContact CB-CE2 4.31Å; K129-F172 HydrophobicContact CB-CZ 3.66Å; K129-F172 HydrophobicContact CD-CD1 4.39Å; K129-F172 HydrophobicContact CD-CE1 3.89Å; K129-F172 HydrophobicContact CD-CZ 4.07Å; K129-F172 HydrophobicContact CG-CE1 4.14Å; K129-F172 HydrophobicContact CG-CZ 4.1Å |
| 130 | A | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 139.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A122 V134 F135 F172 | A122-A130 HydrophobicContact CB-CB 4.06Å; A122-A130 PolarHBondContact N-O 3.13Å; A122-A130 PolarHBondContact O-N 2.52Å; A130-V134 WeakPolarHBondContact CA-O 3.41Å; A130-F135 HydrophobicContact CB-CD1 3.5Å; A130-F135 VanDerWaalsContact CB-CD1 3.5Å; A130-F135 HydrophobicContact CB-CD2 4.1Å; A130-F135 HydrophobicContact CB-CE1 3.46Å; A130-F135 VanDerWaalsContact CB-CE1 3.46Å; A130-F135 HydrophobicContact CB-CE2 4.05Å; A130-F135 HydrophobicContact CB-CG 3.81Å; A130-F135 HydrophobicContact CB-CZ 3.74Å; A130-F172 WeakPolarHBondContact O-CZ 3.41Å |
| 131 | T | 95.8 | Very high | 97.6 | Very high | 45 Ų | 45 | 40.9 Ų | 40.9 | 28% | 0.276 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 143 | 170.1 | -177.3 | 0 | 0 | 0 | 0 | 108.9 | G115 S120 N133 V134 F172 | G115-T131 CarbonylContact O-C 3.58Å; G115-T131 VanDerWaalsContact O-CA 3.3Å; G115-T131 WeakPolarHBondContact O-CA 3.43Å; G115-T131 PolarHBondContact O-N 3.39Å; S120-T131 VanDerWaalsContact O-CA 3.24Å; S120-T131 WeakPolarHBondContact O-CA 3.31Å; S120-T131 WeakPolarHBondContact O-CB 3.3Å; S120-T131 PolarHBondContact O-OG1 3.24Å; T131-N133 PolarHBondContact O-N 3.35Å; T131-V134 PolarHBondContact N-O 2.74Å; T131-V134 PolarHBondContact O-N 3.34Å; T131-F172 HydrophobicContact CG2-CD1 4.22Å; T131-F172 HydrophobicContact CG2-CE1 3.84Å |
| 132 | G | 94.1 | Very high | 97.7 | Very high | 33 Ų | 33 | 40.1 Ų | 40.1 | 34% | 0.34 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 34.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | G115 L117 V134 | G115-G132 PolarHBondContact O-N 3.09Å; G115-G132 VanDerWaalsContact O-N 3.17Å; L117-G132 WeakPolarHBondContact O-CA 3.42Å; L117-G132 PolarHBondContact O-N 2.82Å; G132-V134 PolarHBondContact O-N 3.4Å |
| 133 | N | 96 | Very high | 97.7 | Very high | 74 Ų | 74 | 46.4 Ų | 46.4 | 40% | 0.396 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | 19.3 | -177 | -151.5 | 38.2 | 0 | 0 | 0 | 115.3 | G115 E116 T131 G282 | G115-N133 PolarHBondContact O-N 2.87Å; E116-N133 WeakPolarHBondContact O-CB 3.5Å; E116-N133 PolarHBondContact O-N 3.22Å; T131-N133 PolarHBondContact O-N 3.35Å; N133-G282 PolarHBondContact ND2-O 2.83Å; N133-G282 WeakPolarHBondContact OD1-CA 3.33Å |
| 134 | V | 97.3 | Very high | 97.7 | Very high | 88 Ų | 88 | 48.8 Ų | 48.8 | 53% | 0.533 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 110.5 | 177.8 | -176.1 | 0 | 0 | 0 | 0 | 109.7 | A130 T131 G132 T136 | A130-V134 WeakPolarHBondContact CA-O 3.41Å; T131-V134 PolarHBondContact N-O 2.74Å; T131-V134 PolarHBondContact O-N 3.34Å; G132-V134 PolarHBondContact O-N 3.4Å; V134-T136 HydrophobicContact CG1-CG2 4.05Å |
| 135 | F | 97.7 | Very high | 97.7 | Very high | 33 Ų | 33 | 54.8 Ų | 54.8 | 15% | 0.145 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 120.7 | 179 | -69.1 | -106.7 | 0 | 0 | 0 | 110 | E116 K128 K129 A130 Q281 | E116-F135 HydrophobicContact CG-CE2 4.34Å; E116-F135 HydrophobicContact CG-CZ 4.28Å; K128-F135 HydrophobicContact CD-CB 4.3Å; K129-F135 WeakPolarHBondContact O-CA 3.43Å; A130-F135 HydrophobicContact CB-CD1 3.5Å; A130-F135 VanDerWaalsContact CB-CD1 3.5Å; A130-F135 HydrophobicContact CB-CD2 4.1Å; A130-F135 HydrophobicContact CB-CE1 3.46Å; A130-F135 VanDerWaalsContact CB-CE1 3.46Å; A130-F135 HydrophobicContact CB-CE2 4.05Å; A130-F135 HydrophobicContact CB-CG 3.81Å; A130-F135 HydrophobicContact CB-CZ 3.74Å; F135-Q281 HydrophobicContact CD1-CB 3.83Å; F135-Q281 HydrophobicContact CD1-CG 4.26Å; F135-Q281 HydrophobicContact CD2-CB 4.13Å; F135-Q281 WeakPolarHBondContact CD2-O 3.46Å; F135-Q281 HydrophobicContact CE1-CB 4.03Å; F135-Q281 HydrophobicContact CE1-CG 4.45Å; F135-Q281 HydrophobicContact CE2-CB 4.32Å; F135-Q281 VanDerWaalsContact CE2-O 3.25Å; F135-Q281 WeakPolarHBondContact CE2-O 3.41Å; F135-Q281 HydrophobicContact CG-CB 3.91Å; F135-Q281 HydrophobicContact CZ-CB 4.28Å |
| 136 | T | 98 | Very high | 97.7 | Very high | 53 Ų | 53 | 55.5 Ų | 55.5 | 33% | 0.325 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 141.3 | -176.8 | 51.1 | 0 | 0 | 0 | 0 | 111.4 | K128 K129 V134 W138 | K128-T136 CarbonylContact C-O 3.53Å; K128-T136 WeakPolarHBondContact CA-O 3.46Å; K128-T136 WeakPolarHBondContact CB-O 3.49Å; K129-T136 WeakPolarHBondContact CG-OG1 3.49Å; K129-T136 PolarHBondContact N-O 2.83Å; K129-T136 PolarHBondContact O-N 2.81Å; V134-T136 HydrophobicContact CG1-CG2 4.05Å; T136-W138 PolarHBondContact O-N 3.46Å |
| 137 | P | 98.3 | Very high | 97.8 | Very high | 112 Ų | 112 | 53.7 Ų | 53.7 | 73% | 0.727 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -54.4 | 127.8 | 171.8 | -24.4 | 34.5 | 0 | 0 | 0 | 111.2 | G127 | G127-P137 WeakPolarHBondContact O-CA 3.43Å |
| 138 | W | 98.4 | Very high | 97.8 | Very high | 41 Ų | 41 | 53.4 Ų | 53.4 | 16% | 0.155 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166 | 141.9 | 178.9 | -177.7 | 86.1 | 0 | 0 | 0 | 110.9 | Y123 G127 K129 T136 F161 L168 G169 A171 | Y123-W138 HydrophobicContact CD1-CZ3 4.28Å; Y123-W138 AromaticContact CD2-CE3 3.71Å; Y123-W138 HydrophobicContact CD2-CE3 3.71Å; Y123-W138 AromaticContact CD2-CZ3 3.75Å; Y123-W138 HydrophobicContact CD2-CZ3 3.75Å; Y123-W138 HydrophobicContact CE1-CZ3 4.36Å; Y123-W138 AromaticContact CE2-CE3 3.85Å; Y123-W138 HydrophobicContact CE2-CE3 3.85Å; Y123-W138 AromaticContact CE2-CZ3 3.88Å; Y123-W138 HydrophobicContact CE2-CZ3 3.88Å; Y123-W138 HydrophobicContact CG-CE3 4.36Å; Y123-W138 AromaticContact CG-CZ3 3.99Å; Y123-W138 HydrophobicContact CG-CZ3 3.99Å; G127-W138 CarbonylContact C-O 3.53Å; G127-W138 PolarHBondContact O-N 3.36Å; K129-W138 HydrophobicContact CB-CB 3.93Å; K129-W138 HydrophobicContact CB-CD2 4.36Å; K129-W138 HydrophobicContact CB-CE3 4.28Å; K129-W138 HydrophobicContact CB-CG 4.24Å; K129-W138 HydrophobicContact CD-CB 3.76Å; K129-W138 HydrophobicContact CD-CD2 4.11Å; K129-W138 HydrophobicContact CD-CG 3.6Å; K129-W138 HydrophobicContact CG-CB 3.64Å; K129-W138 HydrophobicContact CG-CG 4.03Å; T136-W138 PolarHBondContact O-N 3.46Å; W138-F161 HydrophobicContact CH2-CB 4.1Å; W138-F161 AromaticContact CH2-CD2 3.71Å; W138-F161 HydrophobicContact CH2-CD2 3.71Å; W138-F161 HydrophobicContact CH2-CG 4.36Å; W138-F161 HydrophobicContact CZ3-CB 4.27Å; W138-F161 AromaticContact CZ3-CD2 3.7Å; W138-F161 HydrophobicContact CZ3-CD2 3.7Å; W138-F161 HydrophobicContact CZ3-CE2 4.49Å; W138-F161 HydrophobicContact CZ3-CG 4.31Å; W138-L168 HydrophobicContact CH2-CB 3.77Å; W138-L168 HydrophobicContact CH2-CD1 4.49Å; W138-L168 HydrophobicContact CZ2-CB 4.34Å; W138-L168 HydrophobicContact CZ3-CB 4.43Å; W138-L168 HydrophobicContact CZ3-CD1 4.39Å; W138-G169 WeakPolarHBondContact CZ2-O 3.26Å; W138-A171 HydrophobicContact CD2-CB 4.07Å; W138-A171 HydrophobicContact CE3-CB 4.16Å; W138-A171 HydrophobicContact CH2-CB 3.69Å; W138-A171 HydrophobicContact CZ2-CB 3.55Å; W138-A171 HydrophobicContact CZ3-CB 3.98Å |
| 139 | G | 97.8 | Very high | 97.8 | Very high | 42 Ų | 42 | 50.9 Ų | 50.9 | 43% | 0.433 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 70.2 | -148.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 140 | E | 98 | Very high | 97.8 | Very high | 89 Ų | 89 | 48.5 Ų | 48.5 | 42% | 0.416 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 166.2 | -179.8 | -64.5 | -178 | -169 | 0 | 0 | 111.8 | Y123 G127 K163 L168 | Y123-E140 PolarHBondContact OH-N 2.9Å; Y123-E140 VanDerWaalsContact OH-N 3.11Å; Y123-E140 PolarHBondContact OH-O 3.1Å; G127-E140 VanDerWaalsContact CA-O 3.23Å; G127-E140 WeakPolarHBondContact CA-O 3.45Å; E140-K163 HydrophobicContact CB-CD 4.36Å; E140-K163 IonicContact OE2-NZ 3.94Å; E140-K163 PolarHBondContact OE2-NZ 2.86Å; E140-L168 HydrophobicContact CG-CD2 4.07Å |
| 141 | N | 98.1 | Very high | 97.9 | Very high | 68 Ų | 68 | 48.9 Ų | 48.9 | 36% | 0.364 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 150.8 | 163.3 | -65.6 | 9.2 | 0 | 0 | 0 | 109.7 | N125 N126 G127 W143 K163 | N125-N141 CarbonylContact O-C 3.46Å; N125-N141 VanDerWaalsContact O-CA 3.22Å; N125-N141 WeakPolarHBondContact O-CA 3.48Å; N126-N141 PolarHBondContact O-OD1 3.48Å; G127-N141 WeakPolarHBondContact CA-OD1 3.49Å; G127-N141 PolarHBondContact N-OD1 3.47Å; N141-W143 HydrophobicContact CB-CZ2 3.9Å; N141-K163 PolarHBondContact O-NZ 3.09Å |
| 142 | F | 98.5 | Very high | 97.9 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.009 | 26% | 0.262 | C | S | . | . | trans | -134.6 | 149.6 | 170.5 | 62.4 | -100 | 0 | 0 | 0 | 110.8 | L80 L100 I102 Y123 C124 N125 D146 I148 K163 | L80-F142 HydrophobicContact CD2-CD2 4.15Å; L80-F142 HydrophobicContact CD2-CE2 4.38Å; L100-F142 HydrophobicContact CB-CE2 4.4Å; L100-F142 HydrophobicContact CD2-CE2 4.15Å; L100-F142 HydrophobicContact CG-CE2 4.42Å; I102-F142 HydrophobicContact CD1-CZ 4.1Å; I102-F142 HydrophobicContact CG1-CZ 4.4Å; Y123-F142 HydrophobicContact CD1-CD1 4.49Å; Y123-F142 AromaticContact CD1-CE1 3.95Å; Y123-F142 HydrophobicContact CD1-CE1 3.95Å; Y123-F142 AromaticContact CE1-CD1 3.84Å; Y123-F142 HydrophobicContact CE1-CD1 3.84Å; Y123-F142 AromaticContact CE1-CE1 3.76Å; Y123-F142 HydrophobicContact CE1-CE1 3.76Å; Y123-F142 HydrophobicContact CE2-CE1 4.42Å; Y123-F142 HydrophobicContact CG-CE1 4.38Å; Y123-F142 AromaticContact CZ-CD1 3.89Å; Y123-F142 AromaticContact CZ-CE1 4Å; C124-F142 VanDerWaalsContact C-CE1 3.47Å; C124-F142 WeakPolarHBondContact O-CE1 3.48Å; N125-F142 HydrophobicContact CB-CD1 4.46Å; N125-F142 HydrophobicContact CB-CD2 3.83Å; N125-F142 HydrophobicContact CB-CE1 4.16Å; N125-F142 HydrophobicContact CB-CE2 3.45Å; N125-F142 VanDerWaalsContact CB-CE2 3.45Å; N125-F142 HydrophobicContact CB-CG 4.32Å; N125-F142 HydrophobicContact CB-CZ 3.64Å; N125-F142 VanDerWaalsContact N-CZ 3.29Å; N125-F142 PolarHBondContact O-N 2.98Å; F142-D146 WeakPolarHBondContact CA-OD2 3.1Å; F142-D146 HydrophobicContact CB-CB 3.86Å; F142-D146 WeakPolarHBondContact CB-OD2 3.49Å; F142-I148 HydrophobicContact CB-CD1 3.96Å; F142-I148 HydrophobicContact CB-CG1 4.48Å; F142-I148 HydrophobicContact CD1-CD1 3.79Å; F142-I148 HydrophobicContact CD1-CG1 3.87Å; F142-I148 HydrophobicContact CD2-CD1 4.48Å; F142-I148 HydrophobicContact CD2-CG1 4.1Å; F142-I148 HydrophobicContact CE1-CD1 4.36Å; F142-I148 HydrophobicContact CE1-CG1 4.01Å; F142-I148 HydrophobicContact CE2-CG1 4.24Å; F142-I148 HydrophobicContact CG-CD1 3.85Å; F142-I148 HydrophobicContact CG-CG1 3.91Å; F142-I148 HydrophobicContact CZ-CG1 4.19Å; F142-K163 HydrophobicContact CB-CD 4.4Å | ||
| 143 | W | 98 | Very high | 98 | Very high | 132 Ų | 132 | 45.9 Ų | 45.9 | 50% | 0.5 | 25% | 0.25 | S | C | . | . | trans | -131.4 | 175.2 | -165.1 | -54.8 | 103.5 | 0 | 0 | 0 | 110.6 | L80 N141 M145 D146 | L80-W143 VanDerWaalsContact CD2-C 3.49Å; N141-W143 HydrophobicContact CB-CZ2 3.9Å; W143-M145 PolarHBondContact O-N 3.35Å; W143-D146 PolarHBondContact N-OD2 3.47Å; W143-D146 WeakPolarHBondContact O-CB 3.38Å; W143-D146 PolarHBondContact O-N 2.92Å | ||
| 144 | P | 98.4 | Very high | 97.8 | Very high | 50 Ų | 50 | 44.1 Ų | 44.1 | 33% | 0.325 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -45.4 | 136 | 169.6 | -33.1 | 39.9 | 0 | 0 | 0 | 112.7 | L80 E83 D146 | L80-P144 HydrophobicContact CG-CG 4.46Å; L80-P144 CarbonylContact O-C 3.51Å; L80-P144 WeakPolarHBondContact O-CA 3.24Å; E83-P144 HydrophobicContact CG-CG 3.99Å; P144-D146 VanDerWaalsContact C-N 3.3Å; P144-D146 PolarHBondContact O-N 2.98Å |
| 145 | M | 98.4 | Very high | 97.5 | Very high | 126 Ų | 126 | 43.6 Ų | 43.6 | 62% | 0.621 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | -8.1 | -173.1 | -53.6 | -56.2 | -60.4 | 0 | 0 | 117.2 | K79 L80 W143 | K79-M145 HydrophobicContact CD-CE 4.38Å; L80-M145 WeakPolarHBondContact O-CA 3.43Å; L80-M145 PolarHBondContact O-N 3.22Å; W143-M145 PolarHBondContact O-N 3.35Å |
| 146 | D | 98.7 | Very high | 97.2 | Very high | 24 Ų | 24 | 45.4 Ų | 45.4 | 13% | 0.128 | 27% | 0.267 | C | S | . | . | trans | -69.4 | 140.5 | 169 | -75 | -37.9 | 0 | 0 | 0 | 110.6 | K79 L80 F142 W143 P144 K163 N164 | K79-D146 WeakPolarHBondContact CA-O 3.25Å; L80-D146 PolarHBondContact N-O 2.64Å; L80-D146 VanDerWaalsContact N-O 3.12Å; F142-D146 WeakPolarHBondContact CA-OD2 3.1Å; F142-D146 HydrophobicContact CB-CB 3.86Å; F142-D146 WeakPolarHBondContact CB-OD2 3.49Å; W143-D146 PolarHBondContact N-OD2 3.47Å; W143-D146 WeakPolarHBondContact O-CB 3.38Å; W143-D146 PolarHBondContact O-N 2.92Å; P144-D146 VanDerWaalsContact C-N 3.3Å; P144-D146 PolarHBondContact O-N 2.98Å; D146-K163 WeakPolarHBondContact OD2-CE 3.46Å; D146-N164 WeakPolarHBondContact CA-OD1 3.4Å; D146-N164 PolarHBondContact OD1-ND2 3.27Å | ||
| 147 | V | 98.8 | Very high | 96.8 | Very high | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.024 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 127.9 | 172.8 | -179.3 | 0 | 0 | 0 | 0 | 109.2 | E77 V78 K79 K163 N164 W206 F207 | E77-V147 HydrophobicContact CB-CG1 4.04Å; E77-V147 HydrophobicContact CG-CG1 4.31Å; V78-V147 WeakPolarHBondContact O-CA 3.46Å; K79-V147 HydrophobicContact CB-CG2 4.04Å; K79-V147 HydrophobicContact CD-CG2 4.38Å; K79-V147 HydrophobicContact CG-CG2 3.9Å; V147-K163 WeakPolarHBondContact O-CA 3.46Å; V147-N164 PolarHBondContact N-OD1 3.4Å; V147-N164 PolarHBondContact O-N 2.81Å; V147-W206 HydrophobicContact CG1-CB 4.11Å; V147-W206 HydrophobicContact CG1-CD2 4.32Å; V147-W206 HydrophobicContact CG1-CE3 3.57Å; V147-W206 HydrophobicContact CG1-CZ3 4.36Å; V147-W206 HydrophobicContact CG2-CB 3.99Å; V147-W206 HydrophobicContact CG2-CD2 4.22Å; V147-W206 HydrophobicContact CG2-CE3 4.12Å; V147-W206 HydrophobicContact CG2-CG 4.19Å; V147-F207 HydrophobicContact CB-CD2 3.77Å; V147-F207 HydrophobicContact CB-CE2 3.58Å; V147-F207 HydrophobicContact CG1-CD2 3.89Å; V147-F207 HydrophobicContact CG1-CE2 4.22Å; V147-F207 HydrophobicContact CG2-CD2 4.21Å; V147-F207 HydrophobicContact CG2-CE2 3.74Å |
| 148 | I | 98.9 | Very high | 96.7 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 123.7 | 172.8 | -53.3 | -55.9 | 0 | 0 | 0 | 109.7 | E77 V78 I102 Y123 F142 F161 C162 K163 | E77-I148 CarbonylContact C-O 3.5Å; E77-I148 VanDerWaalsContact CA-O 3.32Å; E77-I148 WeakPolarHBondContact CA-O 3.38Å; V78-I148 PolarHBondContact N-O 2.95Å; V78-I148 PolarHBondContact O-N 2.87Å; I102-I148 HydrophobicContact CD1-CB 3.38Å; I102-I148 HydrophobicContact CD1-CG1 3.79Å; I102-I148 HydrophobicContact CD1-CG2 3.44Å; I102-I148 VanDerWaalsContact CD1-CG2 3.44Å; Y123-I148 HydrophobicContact CD1-CG2 4Å; Y123-I148 HydrophobicContact CE1-CD1 4.18Å; Y123-I148 HydrophobicContact CE1-CG2 4.21Å; F142-I148 HydrophobicContact CB-CD1 3.96Å; F142-I148 HydrophobicContact CB-CG1 4.48Å; F142-I148 HydrophobicContact CD1-CD1 3.79Å; F142-I148 HydrophobicContact CD1-CG1 3.87Å; F142-I148 HydrophobicContact CD2-CD1 4.48Å; F142-I148 HydrophobicContact CD2-CG1 4.1Å; F142-I148 HydrophobicContact CE1-CD1 4.36Å; F142-I148 HydrophobicContact CE1-CG1 4.01Å; F142-I148 HydrophobicContact CE2-CG1 4.24Å; F142-I148 HydrophobicContact CG-CD1 3.85Å; F142-I148 HydrophobicContact CG-CG1 3.91Å; F142-I148 HydrophobicContact CZ-CG1 4.19Å; I148-F161 HydrophobicContact CG2-CB 4.35Å; I148-F161 HydrophobicContact CG2-CD1 4.04Å; I148-C162 CarbonylContact C-O 3.59Å; I148-C162 VanDerWaalsContact CA-O 3.24Å; I148-C162 WeakPolarHBondContact CA-O 3.47Å; I148-K163 HydrophobicContact CD1-CB 3.73Å; I148-K163 HydrophobicContact CD1-CD 4.48Å; I148-K163 HydrophobicContact CD1-CG 3.82Å |
| 149 | T | 98.8 | Very high | 96.6 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.012 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 123.4 | 167.4 | -44.7 | 0 | 0 | 0 | 0 | 108.6 | F76 E77 L151 F161 C162 L209 | F76-T149 CarbonylContact O-C 3.49Å; F76-T149 WeakPolarHBondContact O-CA 2.95Å; E77-T149 HydrophobicContact CG-CG2 4.14Å; T149-L151 HydrophobicContact CG2-CD2 3.74Å; T149-L151 HydrophobicContact CG2-CG 4.08Å; T149-F161 CarbonylContact O-C 3.58Å; T149-F161 VanDerWaalsContact O-CA 3.28Å; T149-F161 WeakPolarHBondContact O-CA 3.46Å; T149-C162 PolarHBondContact N-O 3.24Å; T149-C162 PolarHBondContact O-N 2.96Å; T149-L209 HydrophobicContact CG2-CD2 3.54Å |
| 150 | C | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 121.9 | 175.5 | -61.1 | 0 | 0 | 0 | 0 | 109.3 | G75 F76 F161 | G75-C150 WeakPolarHBondContact CA-O 3.46Å; F76-C150 HydrophobicContact CD1-CB 3.81Å; F76-C150 HydrophobicContact CD2-CB 4.44Å; F76-C150 HydrophobicContact CE1-CB 3.34Å; F76-C150 HydrophobicContact CE2-CB 4.04Å; F76-C150 HydrophobicContact CG-CB 4.34Å; F76-C150 HydrophobicContact CZ-CB 3.46Å; F76-C150 VanDerWaalsContact CZ-CB 3.46Å; F76-C150 PolarHBondContact N-O 2.8Å; F76-C150 VanDerWaalsContact N-O 3.09Å; F76-C150 PolarHBondContact O-N 2.81Å; C150-F161 HydrophobicContact CB-CD1 4.21Å; C150-F161 HydrophobicContact CB-CE1 4.07Å |
| 151 | L | 98.6 | Very high | 96.7 | Very high | 7 Ų | 7 | 31.5 Ų | 31.5 | 4% | 0.037 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 139.3 | -172.5 | -59.6 | 167.3 | 0 | 0 | 0 | 110.8 | T149 I159 A160 L209 P210 F213 | T149-L151 HydrophobicContact CG2-CD2 3.74Å; T149-L151 HydrophobicContact CG2-CG 4.08Å; L151-I159 VanDerWaalsContact O-CA 3.31Å; L151-I159 WeakPolarHBondContact O-CA 3.5Å; L151-A160 HydrophobicContact CB-CB 4.46Å; L151-A160 WeakPolarHBondContact CB-O 3.48Å; L151-A160 PolarHBondContact N-O 3.17Å; L151-A160 PolarHBondContact O-N 2.82Å; L151-L209 HydrophobicContact CD2-CD2 4.13Å; L151-P210 HydrophobicContact CD1-CG 3.71Å; L151-P210 HydrophobicContact CD2-CG 4.47Å; L151-F213 HydrophobicContact CB-CD1 4.27Å; L151-F213 HydrophobicContact CB-CE1 3.79Å; L151-F213 HydrophobicContact CB-CZ 4.34Å; L151-F213 HydrophobicContact CD2-CB 4.46Å; L151-F213 HydrophobicContact CD2-CD1 3.63Å; L151-F213 HydrophobicContact CD2-CE1 4.01Å; L151-F213 HydrophobicContact CD2-CG 4.04Å; L151-F213 HydrophobicContact CG-CD1 4.47Å; L151-F213 HydrophobicContact CG-CE1 4.38Å |
| 152 | V | 97 | Very high | 96.7 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 130.6 | 168.1 | 63.5 | 0 | 0 | 0 | 0 | 110.4 | R73 V74 W104 F154 S158 I159 L174 L184 F213 | R73-V152 CarbonylContact C-O 3.58Å; R73-V152 WeakPolarHBondContact CA-O 3.19Å; V74-V152 HydrophobicContact CB-CG1 4.05Å; V74-V152 PolarHBondContact N-O 3.09Å; V74-V152 PolarHBondContact O-N 3.37Å; W104-V152 HydrophobicContact CD2-CB 4.33Å; W104-V152 HydrophobicContact CD2-CG1 4.19Å; W104-V152 HydrophobicContact CE3-CG1 4.33Å; W104-V152 HydrophobicContact CH2-CG1 3.71Å; W104-V152 HydrophobicContact CZ2-CB 4.09Å; W104-V152 HydrophobicContact CZ2-CG1 3.54Å; W104-V152 HydrophobicContact CZ3-CG1 4.09Å; V152-F154 HydrophobicContact CB-CE2 4.49Å; V152-F154 HydrophobicContact CG1-CD2 4.3Å; V152-F154 HydrophobicContact CG1-CE2 3.69Å; V152-F154 HydrophobicContact CG1-CZ 4.33Å; V152-F154 HydrophobicContact CG2-CD2 4.17Å; V152-F154 HydrophobicContact CG2-CE2 3.93Å; V152-F154 HydrophobicContact CG2-CZ 4.12Å; V152-S158 WeakPolarHBondContact CA-O 3.32Å; V152-I159 HydrophobicContact CB-CG1 4.31Å; V152-I159 HydrophobicContact CG2-CG1 4.07Å; V152-L174 HydrophobicContact CG2-CD1 4.18Å; V152-L184 HydrophobicContact CG2-CD1 3.78Å; V152-F213 WeakPolarHBondContact O-CE1 3.32Å |
| 153 | D | 95.1 | Very high | 96.7 | Very high | 16 Ų | 16 | 29.9 Ų | 29.9 | 9% | 0.086 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 105.6 | 171.5 | 178.5 | 1.3 | 0 | 0 | 0 | 109.1 | R73 G155 S156 G157 S158 F213 | R73-D153 HydrophobicContact CG-CB 4.03Å; R73-D153 WeakPolarHBondContact CG-OD1 3.22Å; R73-D153 IonicContact CZ-OD2 3.69Å; R73-D153 IonicContact NE-OD1 2.85Å; R73-D153 IonicContact NE-OD2 3.73Å; R73-D153 PolarHBondContact NE-OD2 3.23Å; R73-D153 IonicContact NH2-OD2 3.31Å; D153-G155 VanDerWaalsContact C-N 3.26Å; D153-G155 PolarHBondContact O-N 3.01Å; D153-G155 WeakPolarHBondContact OD1-CA 3.46Å; D153-G155 PolarHBondContact OD1-N 3.09Å; D153-S156 WeakPolarHBondContact CB-OG 3.18Å; D153-S156 PolarHBondContact OD1-N 2.79Å; D153-S156 WeakPolarHBondContact OD2-CB 3.41Å; D153-S156 PolarHBondContact OD2-OG 2.79Å; D153-G157 WeakPolarHBondContact O-CA 3.39Å; D153-G157 PolarHBondContact O-N 2.71Å; D153-S158 PolarHBondContact N-O 2.61Å; D153-S158 PolarHBondContact O-N 3.35Å; D153-F213 HydrophobicContact CB-CE1 4.4Å; D153-F213 HydrophobicContact CB-CZ 4.06Å |
| 154 | F | 92.4 | Very high | 96.7 | Very high | 37 Ų | 37 | 26.4 Ų | 26.4 | 16% | 0.162 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -22 | 178.4 | -70.5 | -87.2 | 0 | 0 | 0 | 112.6 | V69 A70 K71 G72 V152 F179 L184 | V69-F154 HydrophobicContact CB-CE2 4.36Å; V69-F154 HydrophobicContact CG2-CE2 3.77Å; V69-F154 HydrophobicContact CG2-CZ 4.04Å; V69-F154 VanDerWaalsContact O-CZ 3.29Å; V69-F154 WeakPolarHBondContact O-CZ 3.45Å; A70-F154 WeakPolarHBondContact O-CD1 3.32Å; K71-F154 VanDerWaalsContact C-CD2 3.4Å; G72-F154 WeakPolarHBondContact O-CD2 3.43Å; G72-F154 PolarHBondContact O-N 2.83Å; V152-F154 HydrophobicContact CB-CE2 4.49Å; V152-F154 HydrophobicContact CG1-CD2 4.3Å; V152-F154 HydrophobicContact CG1-CE2 3.69Å; V152-F154 HydrophobicContact CG1-CZ 4.33Å; V152-F154 HydrophobicContact CG2-CD2 4.17Å; V152-F154 HydrophobicContact CG2-CE2 3.93Å; V152-F154 HydrophobicContact CG2-CZ 4.12Å; F154-F179 HydrophobicContact CE1-CD1 4.33Å; F154-L184 HydrophobicContact CE1-CD1 4.26Å; F154-L184 HydrophobicContact CE1-CG 4.44Å; F154-L184 HydrophobicContact CZ-CB 4.2Å; F154-L184 HydrophobicContact CZ-CD1 4.06Å; F154-L184 HydrophobicContact CZ-CG 4.29Å |
| 155 | G | 90.2 | Very high | 96.7 | Very high | 76 Ų | 76 | 25.8 Ų | 25.8 | 78% | 0.784 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -40.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | D153 | D153-G155 VanDerWaalsContact C-N 3.26Å; D153-G155 PolarHBondContact O-N 3.01Å; D153-G155 WeakPolarHBondContact OD1-CA 3.46Å; D153-G155 PolarHBondContact OD1-N 3.09Å |
| 156 | S | 91.2 | Very high | 96.7 | Very high | 72 Ų | 72 | 26.4 Ų | 26.4 | 50% | 0.503 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -13.9 | 173.1 | 61.1 | 0 | 0 | 0 | 0 | 113.7 | D153 S158 | D153-S156 WeakPolarHBondContact CB-OG 3.18Å; D153-S156 PolarHBondContact OD1-N 2.79Å; D153-S156 WeakPolarHBondContact OD2-CB 3.41Å; D153-S156 PolarHBondContact OD2-OG 2.79Å; S156-S158 PolarHBondContact OG-OG 3.5Å |
| 157 | G | 91.2 | Very high | 96.7 | Very high | 12 Ų | 12 | 29.1 Ų | 29.1 | 12% | 0.124 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.5 | 50.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | D153 N173 L174 | D153-G157 WeakPolarHBondContact O-CA 3.39Å; D153-G157 PolarHBondContact O-N 2.71Å; G157-N173 CarbonylContact O-C 3.59Å; G157-N173 WeakPolarHBondContact O-CA 3.46Å; G157-L174 VanDerWaalsContact O-CB 3.31Å; G157-L174 WeakPolarHBondContact O-CB 3.37Å; G157-L174 WeakPolarHBondContact O-CG 3.5Å; G157-L174 PolarHBondContact O-N 2.71Å |
| 158 | S | 94.8 | Very high | 96.6 | Very high | 17 Ų | 17 | 30.7 Ų | 30.7 | 12% | 0.119 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 147.3 | -176.9 | 68.6 | 0 | 0 | 0 | 0 | 113.6 | V152 D153 S156 F172 | V152-S158 WeakPolarHBondContact CA-O 3.32Å; D153-S158 PolarHBondContact N-O 2.61Å; D153-S158 PolarHBondContact O-N 3.35Å; S156-S158 PolarHBondContact OG-OG 3.5Å; S158-F172 WeakPolarHBondContact CA-O 3.26Å |
| 159 | I | 97.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 127.3 | 167.5 | -65.5 | 171.6 | 0 | 0 | 0 | 108.3 | W104 Y121 L151 V152 F161 A171 F172 L174 L184 | W104-I159 HydrophobicContact CB-CD1 4.06Å; W104-I159 HydrophobicContact CG-CD1 4.25Å; Y121-I159 HydrophobicContact CD1-CD1 4.33Å; Y121-I159 HydrophobicContact CD2-CD1 3.58Å; Y121-I159 HydrophobicContact CE2-CD1 4.36Å; Y121-I159 HydrophobicContact CG-CD1 3.57Å; L151-I159 VanDerWaalsContact O-CA 3.31Å; L151-I159 WeakPolarHBondContact O-CA 3.5Å; V152-I159 HydrophobicContact CB-CG1 4.31Å; V152-I159 HydrophobicContact CG2-CG1 4.07Å; I159-F161 HydrophobicContact CG2-CE2 3.81Å; I159-F161 HydrophobicContact CG2-CZ 3.83Å; I159-A171 PolarHBondContact O-N 2.83Å; I159-F172 HydrophobicContact CB-CB 4.24Å; I159-F172 HydrophobicContact CB-CD2 4.1Å; I159-F172 HydrophobicContact CG2-CD2 4.03Å; I159-F172 PolarHBondContact N-O 2.76Å; I159-F172 PolarHBondContact O-N 3.45Å; I159-F172 VanDerWaalsContact O-N 3.14Å; I159-L174 HydrophobicContact CD1-CD2 3.63Å; I159-L174 HydrophobicContact CG1-CD1 4.32Å; I159-L174 HydrophobicContact CG1-CD2 3.87Å; I159-L174 HydrophobicContact CG1-CG 4.4Å; I159-L184 HydrophobicContact CD1-CD1 4.37Å |
| 160 | A | 98.3 | Very high | 96.5 | Very high | 16 Ų | 16 | 35.2 Ų | 35.2 | 13% | 0.132 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 162.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | L151 G169 | L151-A160 HydrophobicContact CB-CB 4.46Å; L151-A160 WeakPolarHBondContact CB-O 3.48Å; L151-A160 PolarHBondContact N-O 3.17Å; L151-A160 PolarHBondContact O-N 2.82Å; A160-G169 WeakPolarHBondContact CB-O 3.12Å |
| 161 | F | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 146.1 | 178.3 | -59.1 | -90.2 | 0 | 0 | 0 | 110.5 | Y123 W138 I148 T149 C150 I159 L168 A171 F172 | Y123-F161 HydrophobicContact CD1-CB 3.94Å; Y123-F161 AromaticContact CD1-CD1 3.83Å; Y123-F161 HydrophobicContact CD1-CD1 3.83Å; Y123-F161 HydrophobicContact CD1-CD2 4.3Å; Y123-F161 HydrophobicContact CD1-CE1 4.42Å; Y123-F161 AromaticContact CD1-CG 3.76Å; Y123-F161 HydrophobicContact CD1-CG 3.76Å; Y123-F161 HydrophobicContact CE1-CB 4.29Å; Y123-F161 HydrophobicContact CG-CD1 4.29Å; Y123-F161 HydrophobicContact CG-CD2 4.28Å; Y123-F161 HydrophobicContact CG-CG 4.18Å; W138-F161 HydrophobicContact CH2-CB 4.1Å; W138-F161 AromaticContact CH2-CD2 3.71Å; W138-F161 HydrophobicContact CH2-CD2 3.71Å; W138-F161 HydrophobicContact CH2-CG 4.36Å; W138-F161 HydrophobicContact CZ3-CB 4.27Å; W138-F161 AromaticContact CZ3-CD2 3.7Å; W138-F161 HydrophobicContact CZ3-CD2 3.7Å; W138-F161 HydrophobicContact CZ3-CE2 4.49Å; W138-F161 HydrophobicContact CZ3-CG 4.31Å; I148-F161 HydrophobicContact CG2-CB 4.35Å; I148-F161 HydrophobicContact CG2-CD1 4.04Å; T149-F161 CarbonylContact O-C 3.58Å; T149-F161 VanDerWaalsContact O-CA 3.28Å; T149-F161 WeakPolarHBondContact O-CA 3.46Å; C150-F161 HydrophobicContact CB-CD1 4.21Å; C150-F161 HydrophobicContact CB-CE1 4.07Å; I159-F161 HydrophobicContact CG2-CE2 3.81Å; I159-F161 HydrophobicContact CG2-CZ 3.83Å; F161-L168 HydrophobicContact CB-CD1 4.37Å; F161-L168 WeakPolarHBondContact O-CB 3.38Å; F161-L168 PolarHBondContact O-N 3.48Å; F161-A171 HydrophobicContact CD2-CB 3.69Å; F161-A171 HydrophobicContact CE2-CB 3.55Å; F161-F172 HydrophobicContact CE2-CD2 4.33Å; F161-F172 HydrophobicContact CE2-CE2 4.04Å; F161-F172 HydrophobicContact CZ-CE2 4.44Å |
| 162 | C | 98.7 | Very high | 96.4 | Very high | 5 Ų | 5 | 35.8 Ų | 35.8 | 3% | 0.034 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 142.1 | 167.6 | -54.9 | 0 | 0 | 0 | 0 | 108.9 | I148 T149 Q166 | I148-C162 CarbonylContact C-O 3.59Å; I148-C162 VanDerWaalsContact CA-O 3.24Å; I148-C162 WeakPolarHBondContact CA-O 3.47Å; T149-C162 PolarHBondContact N-O 3.24Å; T149-C162 PolarHBondContact O-N 2.96Å; C162-Q166 CarbonylContact C-O 3.06Å; C162-Q166 WeakPolarHBondContact CA-O 3.36Å; C162-Q166 WeakPolarHBondContact CB-O 3.46Å |
| 163 | K | 98.7 | Very high | 96.2 | Very high | 30 Ų | 30 | 41.9 Ų | 41.9 | 13% | 0.13 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 122.1 | 170.4 | 175.6 | -179.5 | 169.3 | -167.6 | 0 | 108.4 | E140 N141 F142 D146 V147 I148 G165 Q166 L168 | E140-K163 HydrophobicContact CB-CD 4.36Å; E140-K163 IonicContact OE2-NZ 3.94Å; E140-K163 PolarHBondContact OE2-NZ 2.86Å; N141-K163 PolarHBondContact O-NZ 3.09Å; F142-K163 HydrophobicContact CB-CD 4.4Å; D146-K163 WeakPolarHBondContact OD2-CE 3.46Å; V147-K163 WeakPolarHBondContact O-CA 3.46Å; I148-K163 HydrophobicContact CD1-CB 3.73Å; I148-K163 HydrophobicContact CD1-CD 4.48Å; I148-K163 HydrophobicContact CD1-CG 3.82Å; K163-G165 PolarHBondContact O-N 3.14Å; K163-Q166 PolarHBondContact N-O 2.99Å; K163-Q166 WeakPolarHBondContact O-CB 3.48Å; K163-Q166 PolarHBondContact O-N 3.41Å; K163-L168 HydrophobicContact CB-CD1 4.06Å; K163-L168 HydrophobicContact CB-CD2 4.3Å; K163-L168 HydrophobicContact CB-CG 4.26Å |
| 164 | N | 98.5 | Very high | 95.9 | Very high | 59 Ų | 59 | 41.7 Ų | 41.7 | 32% | 0.316 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 44.5 | -178.6 | -55.5 | -33.1 | 0 | 0 | 0 | 112.5 | D146 V147 Q166 F207 | D146-N164 WeakPolarHBondContact CA-OD1 3.4Å; D146-N164 PolarHBondContact OD1-ND2 3.27Å; V147-N164 PolarHBondContact N-OD1 3.4Å; V147-N164 PolarHBondContact O-N 2.81Å; N164-Q166 PolarHBondContact O-N 2.85Å; N164-F207 VanDerWaalsContact CA-CZ 3.41Å; N164-F207 HydrophobicContact CB-CE1 4.09Å; N164-F207 HydrophobicContact CB-CE2 4.16Å; N164-F207 HydrophobicContact CB-CZ 3.66Å; N164-F207 WeakPolarHBondContact O-CD1 3.25Å; N164-F207 WeakPolarHBondContact O-CE1 3.42Å |
| 165 | G | 97.9 | Very high | 95 | Very high | 38 Ų | 38 | 47.7 Ų | 47.7 | 39% | 0.392 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | -9.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | K163 | K163-G165 PolarHBondContact O-N 3.14Š|
| 166 | Q | 98.2 | Very high | 93.7 | Very high | 139 Ų | 139 | 50.4 Ų | 50.4 | 65% | 0.65 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 127.1 | 176.3 | -171.9 | 174.2 | 7.8 | 0 | 0 | 111 | C162 K163 N164 L168 | C162-Q166 CarbonylContact C-O 3.06Å; C162-Q166 WeakPolarHBondContact CA-O 3.36Å; C162-Q166 WeakPolarHBondContact CB-O 3.46Å; K163-Q166 PolarHBondContact N-O 2.99Å; K163-Q166 WeakPolarHBondContact O-CB 3.48Å; K163-Q166 PolarHBondContact O-N 3.41Å; N164-Q166 PolarHBondContact O-N 2.85Å; Q166-L168 PolarHBondContact O-N 2.8Å |
| 167 | S | 98 | Very high | 92.3 | Very high | 81 Ų | 81 | 54.2 Ų | 54.2 | 57% | 0.566 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 130.8 | 177.1 | -175.8 | 0 | 0 | 0 | 0 | 112 | G169 | S167-G169 PolarHBondContact OG-N 2.96Å |
| 168 | L | 98.4 | Very high | 90.6 | Very high | 36 Ų | 36 | 55.4 Ų | 55.4 | 19% | 0.188 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | -2.2 | 170 | -59.9 | 175.4 | 0 | 0 | 0 | 112.2 | Y123 W138 E140 F161 K163 Q166 | Y123-L168 HydrophobicContact CE1-CD1 3.56Å; Y123-L168 VanDerWaalsContact OH-CD1 3.25Å; Y123-L168 WeakPolarHBondContact OH-CD1 3.47Å; W138-L168 HydrophobicContact CH2-CB 3.77Å; W138-L168 HydrophobicContact CH2-CD1 4.49Å; W138-L168 HydrophobicContact CZ2-CB 4.34Å; W138-L168 HydrophobicContact CZ3-CB 4.43Å; W138-L168 HydrophobicContact CZ3-CD1 4.39Å; E140-L168 HydrophobicContact CG-CD2 4.07Å; F161-L168 HydrophobicContact CB-CD1 4.37Å; F161-L168 WeakPolarHBondContact O-CB 3.38Å; F161-L168 PolarHBondContact O-N 3.48Å; K163-L168 HydrophobicContact CB-CD1 4.06Å; K163-L168 HydrophobicContact CB-CD2 4.3Å; K163-L168 HydrophobicContact CB-CG 4.26Å; Q166-L168 PolarHBondContact O-N 2.8Å |
| 169 | G | 97.5 | Very high | 88.9 | Confident | 29 Ų | 29 | 55.4 Ų | 55.4 | 30% | 0.299 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 84.3 | -175.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | W138 A160 S167 A171 | W138-G169 WeakPolarHBondContact CZ2-O 3.26Å; A160-G169 WeakPolarHBondContact CB-O 3.12Å; S167-G169 PolarHBondContact OG-N 2.96Å; G169-A171 PolarHBondContact O-N 2.91Å |
| 170 | T | 97.8 | Very high | 87.2 | Confident | 70 Ų | 70 | 60.4 Ų | 60.4 | 43% | 0.429 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 121.4 | -178.8 | -57.1 | 0 | 0 | 0 | 0 | 111 | F172 | T170-F172 WeakPolarHBondContact CG2-O 3.45Å |
| 171 | A | 98 | Very high | 85.8 | Confident | 4 Ų | 4 | 65.1 Ų | 65.1 | 3% | 0.033 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | -41.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | K129 W138 I159 F161 G169 | K129-A171 HydrophobicContact CD-CB 4.3Å; K129-A171 WeakPolarHBondContact CD-O 3.12Å; K129-A171 PolarHBondContact NZ-O 2.93Å; W138-A171 HydrophobicContact CD2-CB 4.07Å; W138-A171 HydrophobicContact CE3-CB 4.16Å; W138-A171 HydrophobicContact CH2-CB 3.69Å; W138-A171 HydrophobicContact CZ2-CB 3.55Å; W138-A171 HydrophobicContact CZ3-CB 3.98Å; I159-A171 PolarHBondContact O-N 2.83Å; F161-A171 HydrophobicContact CD2-CB 3.69Å; F161-A171 HydrophobicContact CE2-CB 3.55Å; G169-A171 PolarHBondContact O-N 2.91Å |
| 172 | F | 96.5 | Very high | 84.9 | Confident | 14 Ų | 14 | 68.2 Ų | 68.2 | 6% | 0.061 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 138.3 | -174.6 | -51.6 | -82.4 | 0 | 0 | 0 | 111.2 | Y121 A122 K129 A130 T131 S158 I159 F161 T170 | Y121-F172 HydrophobicContact CD1-CB 3.86Å; Y121-F172 AromaticContact CD1-CD1 3.62Å; Y121-F172 HydrophobicContact CD1-CD1 3.62Å; Y121-F172 AromaticContact CD1-CD2 3.91Å; Y121-F172 HydrophobicContact CD1-CD2 3.91Å; Y121-F172 HydrophobicContact CD1-CE1 4.03Å; Y121-F172 HydrophobicContact CD1-CE2 4.3Å; Y121-F172 AromaticContact CD1-CG 3.52Å; Y121-F172 HydrophobicContact CD1-CG 3.52Å; Y121-F172 HydrophobicContact CD1-CZ 4.33Å; Y121-F172 HydrophobicContact CE1-CB 4.24Å; Y121-F172 HydrophobicContact CE1-CD1 4.25Å; Y121-F172 HydrophobicContact CE1-CG 4.28Å; Y121-F172 HydrophobicContact CG-CD2 4.25Å; Y121-F172 HydrophobicContact CG-CG 4.3Å; A122-F172 WeakPolarHBondContact O-CZ 3.42Å; K129-F172 HydrophobicContact CB-CE1 4.21Å; K129-F172 HydrophobicContact CB-CE2 4.31Å; K129-F172 HydrophobicContact CB-CZ 3.66Å; K129-F172 HydrophobicContact CD-CD1 4.39Å; K129-F172 HydrophobicContact CD-CE1 3.89Å; K129-F172 HydrophobicContact CD-CZ 4.07Å; K129-F172 HydrophobicContact CG-CE1 4.14Å; K129-F172 HydrophobicContact CG-CZ 4.1Å; A130-F172 WeakPolarHBondContact O-CZ 3.41Å; T131-F172 HydrophobicContact CG2-CD1 4.22Å; T131-F172 HydrophobicContact CG2-CE1 3.84Å; S158-F172 WeakPolarHBondContact CA-O 3.26Å; I159-F172 HydrophobicContact CB-CB 4.24Å; I159-F172 HydrophobicContact CB-CD2 4.1Å; I159-F172 HydrophobicContact CG2-CD2 4.03Å; I159-F172 PolarHBondContact N-O 2.76Å; I159-F172 PolarHBondContact O-N 3.45Å; I159-F172 VanDerWaalsContact O-N 3.14Å; F161-F172 HydrophobicContact CE2-CD2 4.33Å; F161-F172 HydrophobicContact CE2-CE2 4.04Å; F161-F172 HydrophobicContact CZ-CE2 4.44Å; T170-F172 WeakPolarHBondContact CG2-O 3.45Å |
| 173 | N | 93.9 | Very high | 84.5 | Confident | 128 Ų | 128 | 70 Ų | 70 | 68% | 0.684 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 121.1 | 164.9 | -62 | -58.3 | 0 | 0 | 0 | 107.4 | G157 | G157-N173 CarbonylContact O-C 3.59Å; G157-N173 WeakPolarHBondContact O-CA 3.46Å |
| 174 | L | 87.3 | Confident | 84.3 | Confident | 13 Ų | 13 | 68.5 Ų | 68.5 | 7% | 0.068 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -74.8 | 123.6 | -177.1 | -57.4 | -176.4 | 0 | 0 | 0 | 108.6 | Y121 V152 G157 I159 F179 | Y121-L174 HydrophobicContact CD2-CD2 4.47Å; Y121-L174 HydrophobicContact CE1-CD2 4.22Å; Y121-L174 HydrophobicContact CE2-CD2 4.05Å; V152-L174 HydrophobicContact CG2-CD1 4.18Å; G157-L174 VanDerWaalsContact O-CB 3.31Å; G157-L174 WeakPolarHBondContact O-CB 3.37Å; G157-L174 WeakPolarHBondContact O-CG 3.5Å; G157-L174 PolarHBondContact O-N 2.71Å; I159-L174 HydrophobicContact CD1-CD2 3.63Å; I159-L174 HydrophobicContact CG1-CD1 4.32Å; I159-L174 HydrophobicContact CG1-CD2 3.87Å; I159-L174 HydrophobicContact CG1-CG 4.4Å; L174-F179 HydrophobicContact CB-CD1 4.45Å; L174-F179 HydrophobicContact CB-CD2 3.49Å; L174-F179 VanDerWaalsContact CB-CD2 3.49Å; L174-F179 HydrophobicContact CB-CE2 3.58Å; L174-F179 HydrophobicContact CB-CG 3.92Å; L174-F179 HydrophobicContact CB-CZ 4.1Å; L174-F179 HydrophobicContact CD1-CD1 3.78Å; L174-F179 HydrophobicContact CD1-CD2 4.28Å; L174-F179 HydrophobicContact CD1-CE1 3.59Å; L174-F179 HydrophobicContact CD1-CE2 4.1Å; L174-F179 HydrophobicContact CD1-CG 4.1Å; L174-F179 HydrophobicContact CD1-CZ 3.72Å; L174-F179 HydrophobicContact CD2-CD2 4.23Å; L174-F179 HydrophobicContact CD2-CE1 4.06Å; L174-F179 HydrophobicContact CD2-CE2 3.41Å; L174-F179 VanDerWaalsContact CD2-CE2 3.41Å; L174-F179 HydrophobicContact CD2-CZ 3.27Å; L174-F179 HydrophobicContact CG-CD2 4.17Å; L174-F179 HydrophobicContact CG-CE1 4.23Å; L174-F179 HydrophobicContact CG-CE2 3.83Å; L174-F179 HydrophobicContact CG-CG 4.46Å; L174-F179 HydrophobicContact CG-CZ 3.83Å |
| 175 | K | 74.9 | Confident | 84.2 | Confident | 162 Ų | 162 | 65.9 Ų | 65.9 | 70% | 0.704 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -74.7 | 127.9 | 175.3 | -65.9 | -176.6 | -179.5 | 179.6 | 0 | 108.6 | D177 C178 | K175-D177 PolarHBondContact O-N 2.97Å; K175-D177 VanDerWaalsContact O-N 3.08Å; K175-C178 PolarHBondContact O-N 2.79Å |
| 176 | N | 62.9 | Low | 84.2 | Confident | 133 Ų | 133 | 64 Ų | 64 | 71% | 0.711 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -48.8 | -40.4 | -175.5 | -73.9 | -14.7 | 0 | 0 | 0 | 113.8 | C178 F179 S180 | N176-C178 PolarHBondContact O-N 2.77Å; N176-F179 PolarHBondContact O-N 2.91Å; N176-F179 VanDerWaalsContact O-N 3.09Å; N176-S180 PolarHBondContact O-N 2.99Å |
| 177 | D | 61.5 | Low | 84.2 | Confident | 153 Ų | 153 | 57.6 Ų | 57.6 | 82% | 0.818 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -62.9 | -24.6 | -178.2 | -56 | -22.6 | 0 | 0 | 0 | 113.5 | K175 | K175-D177 PolarHBondContact O-N 2.97Å; K175-D177 VanDerWaalsContact O-N 3.08Å |
| 178 | C | 54.7 | Low | 84.2 | Confident | 36 Ų | 36 | 53.8 Ų | 53.8 | 24% | 0.243 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -88.2 | -14.6 | 179.1 | -66.4 | 0 | 0 | 0 | 0 | 113.1 | K175 N176 K182 | K175-C178 PolarHBondContact O-N 2.79Å; N176-C178 PolarHBondContact O-N 2.77Å; C178-K182 VanDerWaalsContact O-CB 3.31Å; C178-K182 WeakPolarHBondContact O-CB 3.42Å; C178-K182 WeakPolarHBondContact O-CD 3.41Å; C178-K182 VanDerWaalsContact O-CG 3.23Å; C178-K182 WeakPolarHBondContact O-CG 3.44Å |
| 179 | F | 59.5 | Low | 84.2 | Confident | 18 Ų | 18 | 52.1 Ų | 52.1 | 8% | 0.079 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -125 | -23.7 | -158.6 | -88.7 | -80.1 | 0 | 0 | 0 | 116.7 | Y121 F154 L174 N176 T181 L184 | Y121-F179 HydrophobicContact CD2-CZ 4.39Å; Y121-F179 AromaticContact CE2-CE2 3.91Å; Y121-F179 HydrophobicContact CE2-CE2 3.91Å; Y121-F179 AromaticContact CE2-CZ 3.49Å; Y121-F179 HydrophobicContact CE2-CZ 3.49Å; Y121-F179 VanDerWaalsContact CE2-CZ 3.49Å; Y121-F179 AromaticContact CZ-CE2 3.9Å; Y121-F179 AromaticContact CZ-CZ 3.96Å; Y121-F179 WeakPolarHBondContact OH-CE2 3.33Å; F154-F179 HydrophobicContact CE1-CD1 4.33Å; L174-F179 HydrophobicContact CB-CD1 4.45Å; L174-F179 HydrophobicContact CB-CD2 3.49Å; L174-F179 VanDerWaalsContact CB-CD2 3.49Å; L174-F179 HydrophobicContact CB-CE2 3.58Å; L174-F179 HydrophobicContact CB-CG 3.92Å; L174-F179 HydrophobicContact CB-CZ 4.1Å; L174-F179 HydrophobicContact CD1-CD1 3.78Å; L174-F179 HydrophobicContact CD1-CD2 4.28Å; L174-F179 HydrophobicContact CD1-CE1 3.59Å; L174-F179 HydrophobicContact CD1-CE2 4.1Å; L174-F179 HydrophobicContact CD1-CG 4.1Å; L174-F179 HydrophobicContact CD1-CZ 3.72Å; L174-F179 HydrophobicContact CD2-CD2 4.23Å; L174-F179 HydrophobicContact CD2-CE1 4.06Å; L174-F179 HydrophobicContact CD2-CE2 3.41Å; L174-F179 VanDerWaalsContact CD2-CE2 3.41Å; L174-F179 HydrophobicContact CD2-CZ 3.27Å; L174-F179 HydrophobicContact CG-CD2 4.17Å; L174-F179 HydrophobicContact CG-CE1 4.23Å; L174-F179 HydrophobicContact CG-CE2 3.83Å; L174-F179 HydrophobicContact CG-CG 4.46Å; L174-F179 HydrophobicContact CG-CZ 3.83Å; N176-F179 PolarHBondContact O-N 2.91Å; N176-F179 VanDerWaalsContact O-N 3.09Å; F179-T181 PolarHBondContact O-N 2.72Å; F179-L184 HydrophobicContact CD1-CD1 4.41Å; F179-L184 HydrophobicContact CD1-CG 4.48Å; F179-L184 HydrophobicContact CE1-CD1 3.42Å; F179-L184 VanDerWaalsContact CE1-CD1 3.42Å; F179-L184 HydrophobicContact CE1-CD2 3.69Å; F179-L184 HydrophobicContact CE1-CG 3.57Å; F179-L184 HydrophobicContact CZ-CD1 4.1Å; F179-L184 HydrophobicContact CZ-CD2 4.02Å; F179-L184 HydrophobicContact CZ-CG 4.34Å |
| 180 | S | 61.4 | Low | 84.2 | Confident | 104 Ų | 104 | 50.8 Ų | 50.8 | 73% | 0.727 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -60.6 | -15 | -179.8 | 60.8 | 0 | 0 | 0 | 0 | 113.4 | N176 | N176-S180 PolarHBondContact O-N 2.99Š|
| 181 | T | 68.1 | Low | 84.2 | Confident | 115 Ų | 115 | 47.5 Ų | 47.5 | 71% | 0.706 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -133.1 | -8.8 | -176.5 | 56.4 | 0 | 0 | 0 | 0 | 115.4 | F179 | F179-T181 PolarHBondContact O-N 2.72Š|
| 182 | K | 79.9 | Confident | 84.1 | Confident | 65 Ų | 65 | 47.3 Ų | 47.3 | 28% | 0.283 | 26% | 0.256 | S | S | . | . | trans | -101 | 133.3 | -172.2 | -64.3 | -161.6 | 179.1 | -162.4 | 0 | 112.8 | T106 D108 C178 | T106-K182 HydrophobicContact CG2-CB 3.92Å; T106-K182 HydrophobicContact CG2-CD 3.85Å; D108-K182 IonicContact OD2-NZ 2.72Å; D108-K182 PolarHBondContact OD2-NZ 2.84Å; C178-K182 VanDerWaalsContact O-CB 3.31Å; C178-K182 WeakPolarHBondContact O-CB 3.42Å; C178-K182 WeakPolarHBondContact O-CD 3.41Å; C178-K182 VanDerWaalsContact O-CG 3.23Å; C178-K182 WeakPolarHBondContact O-CG 3.44Å | ||
| 183 | L | 91.1 | Very high | 84.1 | Confident | 42 Ų | 42 | 46.7 Ų | 46.7 | 22% | 0.22 | 25% | 0.253 | C | S | . | . | trans | -73 | 135.3 | 172.9 | -63.7 | 170 | 0 | 0 | 0 | 110.7 | A70 T106 F185 C225 | A70-L183 HydrophobicContact CB-CD2 3.87Å; T106-L183 WeakPolarHBondContact CA-O 3.02Å; L183-F185 HydrophobicContact CB-CD2 4.33Å; L183-F185 HydrophobicContact CB-CE2 3.64Å; L183-F185 HydrophobicContact CB-CZ 4.37Å; L183-F185 HydrophobicContact CD1-CE2 4.3Å; L183-F185 HydrophobicContact CD1-CZ 4.34Å; L183-C225 HydrophobicContact CD1-CB 3.47Å; L183-C225 VanDerWaalsContact CD1-CB 3.47Å; L183-C225 HydrophobicContact CD2-CB 3.56Å; L183-C225 WeakPolarHBondContact CD2-SG 3.23Å; L183-C225 HydrophobicContact CG-CB 4.16Å | ||
| 184 | L | 94.5 | Very high | 84.3 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 132.7 | 167.3 | -72.2 | -176.6 | 0 | 0 | 0 | 111.4 | G68 V69 W104 T106 V152 F154 I159 F179 | G68-L184 CarbonylContact C-O 3.5Å; G68-L184 WeakPolarHBondContact CA-O 3.21Å; V69-L184 PolarHBondContact N-O 3.41Å; V69-L184 PolarHBondContact O-N 2.89Å; W104-L184 HydrophobicContact CB-CB 4.35Å; W104-L184 HydrophobicContact CB-CD1 3.97Å; W104-L184 HydrophobicContact CB-CD2 4.2Å; W104-L184 HydrophobicContact CB-CG 4.42Å; W104-L184 HydrophobicContact CE3-CB 3.87Å; W104-L184 HydrophobicContact CG-CD1 4.32Å; T106-L184 HydrophobicContact CG2-CD2 4.02Å; V152-L184 HydrophobicContact CG2-CD1 3.78Å; F154-L184 HydrophobicContact CE1-CD1 4.26Å; F154-L184 HydrophobicContact CE1-CG 4.44Å; F154-L184 HydrophobicContact CZ-CB 4.2Å; F154-L184 HydrophobicContact CZ-CD1 4.06Å; F154-L184 HydrophobicContact CZ-CG 4.29Å; I159-L184 HydrophobicContact CD1-CD1 4.37Å; F179-L184 HydrophobicContact CD1-CD1 4.41Å; F179-L184 HydrophobicContact CD1-CG 4.48Å; F179-L184 HydrophobicContact CE1-CD1 3.42Å; F179-L184 VanDerWaalsContact CE1-CD1 3.42Å; F179-L184 HydrophobicContact CE1-CD2 3.69Å; F179-L184 HydrophobicContact CE1-CG 3.57Å; F179-L184 HydrophobicContact CZ-CD1 4.1Å; F179-L184 HydrophobicContact CZ-CD2 4.02Å; F179-L184 HydrophobicContact CZ-CG 4.34Å |
| 185 | F | 96.6 | Very high | 84.9 | Confident | 3 Ų | 3 | 42.1 Ų | 42.1 | 1% | 0.013 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 135 | 174.9 | -67 | -101.5 | 0 | 0 | 0 | 109.1 | K64 A65 Y67 G68 W104 S105 E107 L183 S187 | K64-F185 HydrophobicContact CB-CB 4.25Å; K64-F185 HydrophobicContact CD-CB 4.37Å; A65-F185 WeakPolarHBondContact O-CD1 3.43Å; Y67-F185 VanDerWaalsContact C-CE1 3.48Å; Y67-F185 WeakPolarHBondContact O-CD1 3.28Å; G68-F185 VanDerWaalsContact N-CD1 3.31Å; W104-F185 WeakPolarHBondContact CA-O 3.3Å; S105-F185 PolarHBondContact N-O 3.04Å; S105-F185 PolarHBondContact O-N 3.15Å; E107-F185 HydrophobicContact CB-CD2 4.41Å; E107-F185 HydrophobicContact CB-CE2 3.81Å; E107-F185 HydrophobicContact CB-CZ 4.49Å; E107-F185 HydrophobicContact CG-CE2 4.16Å; E107-F185 HydrophobicContact CG-CZ 4.38Å; L183-F185 HydrophobicContact CB-CD2 4.33Å; L183-F185 HydrophobicContact CB-CE2 3.64Å; L183-F185 HydrophobicContact CB-CZ 4.37Å; L183-F185 HydrophobicContact CD1-CE2 4.3Å; L183-F185 HydrophobicContact CD1-CZ 4.34Å; F185-S187 PolarHBondContact O-N 2.77Å; F185-S187 PolarHBondContact O-OG 3.28Å |
| 186 | P | 97.9 | Very high | 85.9 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -49.2 | 127 | 160 | -24.9 | 33.4 | 0 | 0 | 0 | 109.3 | K64 A65 F76 W104 F199 I216 | K64-P186 CarbonylContact C-O 3.52Å; K64-P186 WeakPolarHBondContact CA-O 3.4Å; A65-P186 HydrophobicContact CB-CB 3.91Å; A65-P186 HydrophobicContact CB-CG 3.94Å; A65-P186 PolarHBondContact N-O 3.03Å; F76-P186 HydrophobicContact CD1-CB 3.74Å; F76-P186 HydrophobicContact CD1-CG 3.86Å; F76-P186 HydrophobicContact CD2-CB 4.28Å; F76-P186 HydrophobicContact CE1-CB 3.57Å; F76-P186 HydrophobicContact CE1-CG 4.06Å; F76-P186 HydrophobicContact CE2-CB 4.13Å; F76-P186 HydrophobicContact CG-CB 4.1Å; F76-P186 HydrophobicContact CG-CG 4.36Å; F76-P186 HydrophobicContact CZ-CB 3.78Å; W104-P186 HydrophobicContact CE3-CG 4.28Å; W104-P186 HydrophobicContact CH2-CG 4.11Å; W104-P186 HydrophobicContact CZ3-CG 3.7Å; P186-F199 HydrophobicContact CB-CD1 4.43Å; P186-F199 HydrophobicContact CB-CE1 3.66Å; P186-F199 HydrophobicContact CG-CD1 4.38Å; P186-F199 HydrophobicContact CG-CE1 4.03Å; P186-I216 HydrophobicContact CG-CD1 3.55Å; P186-I216 HydrophobicContact CG-CG2 4.39Å |
| 187 | S | 97.8 | Very high | 87.6 | Confident | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 149.7 | -170.5 | -58.8 | 0 | 0 | 0 | 0 | 110.5 | G63 G103 S105 L114 F185 | G63-S187 WeakPolarHBondContact O-CA 3.33Å; G103-S187 PolarHBondContact N-O 2.54Å; G103-S187 VanDerWaalsContact N-O 3.09Å; G103-S187 PolarHBondContact O-N 3.05Å; S105-S187 WeakPolarHBondContact CB-OG 3.22Å; S105-S187 PolarHBondContact N-OG 3.11Å; S105-S187 WeakPolarHBondContact OG-CB 3.5Å; S105-S187 PolarHBondContact OG-OG 3.06Å; L114-S187 WeakPolarHBondContact CD2-O 3.46Å; F185-S187 PolarHBondContact O-N 2.77Å; F185-S187 PolarHBondContact O-OG 3.28Å |
| 188 | F | 97.6 | Very high | 89.4 | Confident | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.009 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 149.1 | -175 | 25.2 | -90.5 | 0 | 0 | 0 | 110.9 | V29 L38 L48 G62 G63 R101 F195 F199 | V29-F188 HydrophobicContact CB-CE2 4.27Å; V29-F188 HydrophobicContact CB-CZ 3.81Å; V29-F188 HydrophobicContact CG1-CE2 3.41Å; V29-F188 VanDerWaalsContact CG1-CE2 3.41Å; V29-F188 HydrophobicContact CG1-CZ 3.37Å; V29-F188 HydrophobicContact CG2-CE1 3.84Å; V29-F188 HydrophobicContact CG2-CE2 3.96Å; V29-F188 HydrophobicContact CG2-CZ 3.28Å; L38-F188 HydrophobicContact CD2-CD2 4.06Å; L38-F188 HydrophobicContact CD2-CE2 3.94Å; L48-F188 HydrophobicContact CD2-CD2 4.5Å; L48-F188 HydrophobicContact CD2-CE2 4.09Å; G62-F188 CarbonylContact C-O 3.58Å; G62-F188 WeakPolarHBondContact CA-O 3.48Å; G63-F188 VanDerWaalsContact CA-CE2 3.46Å; G63-F188 PolarHBondContact N-O 2.69Å; G63-F188 WeakPolarHBondContact O-CD2 3.32Å; G63-F188 WeakPolarHBondContact O-CE2 3.45Å; G63-F188 PolarHBondContact O-N 3.31Å; R101-F188 CarbonylContact O-C 3.57Å; R101-F188 VanDerWaalsContact O-CA 3.28Å; R101-F188 WeakPolarHBondContact O-CA 3.43Å; F188-F195 HydrophobicContact CB-CE2 4.07Å; F188-F195 HydrophobicContact CB-CZ 4.04Å; F188-F195 HydrophobicContact CD2-CE2 4.45Å; F188-F195 HydrophobicContact CD2-CZ 4.2Å; F188-F195 HydrophobicContact CG-CE2 4.1Å; F188-F195 HydrophobicContact CG-CZ 4.19Å; F188-F199 HydrophobicContact CE1-CZ 4.36Å |
| 189 | T | 98.1 | Very high | 91.4 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 129.6 | 168.5 | -55.5 | 0 | 0 | 0 | 0 | 108.3 | L60 A61 R101 N112 L114 | L60-T189 HydrophobicContact CB-CG2 3.82Å; L60-T189 HydrophobicContact CD1-CG2 4.39Å; L60-T189 HydrophobicContact CD2-CG2 3.89Å; L60-T189 HydrophobicContact CG-CG2 4.23Å; A61-T189 CarbonylContact O-C 3.18Å; A61-T189 WeakPolarHBondContact O-CA 3.23Å; R101-T189 PolarHBondContact N-O 3.4Å; R101-T189 PolarHBondContact O-N 3.28Å; N112-T189 PolarHBondContact O-OG1 2.79Å; L114-T189 VanDerWaalsContact CB-OG1 3.3Å; L114-T189 WeakPolarHBondContact CB-OG1 3.26Å; L114-T189 PolarHBondContact N-OG1 3.14Å |
| 190 | A | 98.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.008 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 155.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112 | P50 A61 E99 L100 V193 F195 | P50-A190 HydrophobicContact CG-CB 3.6Å; P50-A190 WeakPolarHBondContact CG-O 3.36Å; A61-A190 PolarHBondContact N-O 3.34Å; A61-A190 PolarHBondContact O-N 3.21Å; E99-A190 CarbonylContact O-C 3.58Å; E99-A190 VanDerWaalsContact O-CA 3.23Å; E99-A190 WeakPolarHBondContact O-CA 3.37Å; L100-A190 HydrophobicContact CD1-CB 4.13Å; A190-V193 HydrophobicContact CB-CG2 3.7Å; A190-F195 HydrophobicContact CB-CD1 4.23Å; A190-F195 HydrophobicContact CB-CE1 3.57Å; A190-F195 HydrophobicContact CB-CZ 4.39Å |
| 191 | R | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 128.3 | 165.7 | 177.9 | -172 | -67 | 150 | 0.3 | 108.5 | A57 H58 L60 C96 E99 V193 S279 | A57-R191 WeakPolarHBondContact O-CD 3.36Å; A57-R191 WeakPolarHBondContact O-CG 3.24Å; H58-R191 VanDerWaalsContact O-CZ 3.28Å; H58-R191 PolarHBondContact O-NE 3.48Å; H58-R191 VanDerWaalsContact O-NE 3.13Å; H58-R191 PolarHBondContact O-NH2 2.92Å; L60-R191 HydrophobicContact CD2-CB 4.18Å; C96-R191 PolarHBondContact O-NH1 3.12Å; E99-R191 HydrophobicContact CB-CB 4.24Å; E99-R191 PolarHBondContact N-O 3.3Å; E99-R191 PolarHBondContact O-N 3.41Å; E99-R191 IonicContact OE2-NH1 3.09Å; R191-V193 PolarHBondContact O-N 3.25Å; R191-S279 PolarHBondContact NH2-O 2.91Å |
| 192 | N | 96.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 15.3 Ų | 15.3 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | S | Bend | trans | 54.2 | 31.6 | 174.9 | -54.7 | -34.2 | 0 | 0 | 0 | 114.6 | S52 A57 I84 T86 W97 H98 | S52-N192 WeakPolarHBondContact CB-OD1 3.23Å; S52-N192 PolarHBondContact OG-OD1 2.99Å; A57-N192 VanDerWaalsContact CA-OD1 3.29Å; A57-N192 WeakPolarHBondContact CA-OD1 3.32Å; A57-N192 PolarHBondContact O-ND2 3.13Å; A57-N192 PolarHBondContact O-OD1 3.39Å; I84-N192 WeakPolarHBondContact CB-O 3.31Å; I84-N192 PolarHBondContact N-O 2.9Å; T86-N192 HydrophobicContact CG2-CB 4.12Å; T86-N192 VanDerWaalsContact CG2-CG 3.44Å; T86-N192 WeakPolarHBondContact CG2-OD1 3.13Å; W97-N192 WeakPolarHBondContact O-CB 3.3Å; W97-N192 PolarHBondContact O-ND2 3.14Å; H98-N192 PolarHBondContact CD2-O 3.4Å |
| 193 | V | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 146.3 | 179.5 | -67.5 | 0 | 0 | 0 | 0 | 110.3 | P50 L80 E82 E83 H98 E99 L100 A190 R191 F195 | P50-V193 WeakPolarHBondContact CD-O 3.49Å; L80-V193 HydrophobicContact CD1-CB 3.82Å; L80-V193 HydrophobicContact CD1-CG1 4.1Å; L80-V193 HydrophobicContact CD1-CG2 4.46Å; E82-V193 VanDerWaalsContact O-CA 3.32Å; E82-V193 WeakPolarHBondContact O-CA 3.43Å; E83-V193 HydrophobicContact CG-CG1 4.49Å; H98-V193 HydrophobicContact CB-CG1 3.98Å; E99-V193 WeakPolarHBondContact O-CG2 3.16Å; L100-V193 HydrophobicContact CB-CG2 4.13Å; A190-V193 HydrophobicContact CB-CG2 3.7Å; R191-V193 PolarHBondContact O-N 3.25Å; V193-F195 HydrophobicContact CG2-CD1 4.46Å |
| 194 | K | 97.7 | Very high | 97 | Very high | 45 Ų | 45 | 26.4 Ų | 26.4 | 20% | 0.196 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 134.7 | 169.9 | -167.5 | 175.4 | 175 | 172.3 | 0 | 108.6 | E44 V47 L48 Q49 L81 E82 I84 | E44-K194 IonicContact OE2-NZ 3.88Å; E44-K194 PolarHBondContact OE2-NZ 2.86Å; V47-K194 HydrophobicContact CG1-CD 4.13Å; V47-K194 HydrophobicContact CG1-CG 3.89Å; L48-K194 WeakPolarHBondContact O-CA 3.39Å; Q49-K194 HydrophobicContact CB-CB 4.39Å; Q49-K194 HydrophobicContact CB-CG 4.3Å; L81-K194 WeakPolarHBondContact CA-O 3.41Å; L81-K194 HydrophobicContact CB-CB 4.41Å; L81-K194 HydrophobicContact CB-CG 4.49Å; L81-K194 WeakPolarHBondContact CB-O 3.37Å; L81-K194 HydrophobicContact CD1-CD 4.47Å; L81-K194 HydrophobicContact CD1-CG 4.17Å; L81-K194 PolarHBondContact N-O 3.17Å; E82-K194 HydrophobicContact CG-CB 3.64Å; E82-K194 PolarHBondContact N-O 2.88Å; E82-K194 PolarHBondContact O-N 2.89Å; E82-K194 VanDerWaalsContact OE1-CB 3.27Å; E82-K194 WeakPolarHBondContact OE1-CB 3.4Å; E82-K194 WeakPolarHBondContact OE1-CD 3.46Å; I84-K194 HydrophobicContact CD1-CB 4.39Å; I84-K194 HydrophobicContact CG1-CB 4.47Å |
| 195 | F | 98.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 29 Ų | 29 | 0% | 0.004 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 153 | -178.4 | 63.1 | -81.9 | 0 | 0 | 0 | 111.7 | V47 L48 V78 K79 L100 F188 A190 V193 V197 | V47-F195 CarbonylContact C-O 3.57Å; V47-F195 WeakPolarHBondContact CA-O 3.33Å; L48-F195 HydrophobicContact CB-CD1 4.23Å; L48-F195 HydrophobicContact CB-CD2 4.28Å; L48-F195 HydrophobicContact CB-CE1 3.7Å; L48-F195 HydrophobicContact CB-CE2 3.79Å; L48-F195 HydrophobicContact CB-CZ 3.47Å; L48-F195 VanDerWaalsContact CB-CZ 3.47Å; L48-F195 HydrophobicContact CD1-CD2 4.18Å; L48-F195 HydrophobicContact CD1-CE2 3.71Å; L48-F195 HydrophobicContact CD1-CZ 4.22Å; L48-F195 HydrophobicContact CD2-CZ 4.35Å; L48-F195 HydrophobicContact CG-CE2 4.22Å; L48-F195 HydrophobicContact CG-CZ 4.22Å; L48-F195 PolarHBondContact N-O 2.91Å; L48-F195 WeakPolarHBondContact O-CD1 3.49Å; L48-F195 PolarHBondContact O-N 2.87Å; V78-F195 HydrophobicContact CG1-CB 4.13Å; V78-F195 HydrophobicContact CG1-CD2 3.73Å; V78-F195 HydrophobicContact CG1-CG 4.31Å; K79-F195 CarbonylContact O-C 3.52Å; K79-F195 VanDerWaalsContact O-CA 3.26Å; K79-F195 WeakPolarHBondContact O-CA 3.47Å; K79-F195 WeakPolarHBondContact O-CB 3.28Å; L100-F195 HydrophobicContact CD1-CD1 3.91Å; L100-F195 HydrophobicContact CD1-CD2 4.4Å; L100-F195 HydrophobicContact CD1-CE1 4.06Å; L100-F195 HydrophobicContact CD1-CG 4.09Å; L100-F195 HydrophobicContact CD1-CZ 4.34Å; L100-F195 HydrophobicContact CD2-CB 3.95Å; L100-F195 HydrophobicContact CD2-CG 4.2Å; F188-F195 HydrophobicContact CB-CE2 4.07Å; F188-F195 HydrophobicContact CB-CZ 4.04Å; F188-F195 HydrophobicContact CD2-CE2 4.45Å; F188-F195 HydrophobicContact CD2-CZ 4.2Å; F188-F195 HydrophobicContact CG-CE2 4.1Å; F188-F195 HydrophobicContact CG-CZ 4.19Å; A190-F195 HydrophobicContact CB-CD1 4.23Å; A190-F195 HydrophobicContact CB-CE1 3.57Å; A190-F195 HydrophobicContact CB-CZ 4.39Å; V193-F195 HydrophobicContact CG2-CD1 4.46Å; F195-V197 HydrophobicContact CD2-CG2 3.83Å; F195-V197 HydrophobicContact CE2-CG2 3.79Å |
| 196 | E | 98 | Very high | 97.2 | Very high | 44 Ų | 44 | 31.8 Ų | 31.8 | 21% | 0.206 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 137.6 | 179.3 | -170.8 | -177.1 | -177.9 | 0 | 0 | 109.7 | F46 V47 V78 K79 L81 W206 | F46-E196 CarbonylContact O-C 3.53Å; F46-E196 VanDerWaalsContact O-CA 3.28Å; F46-E196 WeakPolarHBondContact O-CA 3.35Å; V47-E196 HydrophobicContact CG2-CB 4.24Å; V47-E196 HydrophobicContact CG2-CG 3.93Å; V78-E196 CarbonylContact C-O 3.59Å; V78-E196 WeakPolarHBondContact CA-O 2.91Å; K79-E196 HydrophobicContact CB-CB 4.46Å; K79-E196 PolarHBondContact N-O 2.86Å; K79-E196 IonicContact NZ-OE2 3.64Å; K79-E196 PolarHBondContact O-N 2.91Å; L81-E196 HydrophobicContact CD1-CB 4.02Å; L81-E196 HydrophobicContact CD2-CB 4.24Å; L81-E196 HydrophobicContact CG-CB 4.17Å; E196-W206 HydrophobicContact CB-CH2 4.05Å; E196-W206 HydrophobicContact CB-CZ2 4.37Å; E196-W206 VanDerWaalsContact CD-CZ2 3.47Å; E196-W206 HydrophobicContact CG-CH2 3.85Å; E196-W206 HydrophobicContact CG-CZ2 3.93Å; E196-W206 WeakPolarHBondContact OE2-CZ2 3.27Å |
| 197 | V | 98.2 | Very high | 97.2 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 123.5 | -177.7 | -174.2 | 0 | 0 | 0 | 0 | 110.3 | F46 L48 F76 E77 V78 F195 F199 H201 | F46-V197 WeakPolarHBondContact CB-O 3.45Å; F46-V197 PolarHBondContact O-N 2.89Å; L48-V197 HydrophobicContact CD1-CB 4.36Å; L48-V197 HydrophobicContact CD1-CG2 3.54Å; F76-V197 HydrophobicContact CD2-CG1 4.11Å; E77-V197 CarbonylContact O-C 3.2Å; E77-V197 WeakPolarHBondContact O-CA 3.31Å; V78-V197 HydrophobicContact CG1-CG2 4.49Å; V78-V197 HydrophobicContact CG2-CG1 4.33Å; V78-V197 HydrophobicContact CG2-CG2 4.22Å; F195-V197 HydrophobicContact CD2-CG2 3.83Å; F195-V197 HydrophobicContact CE2-CG2 3.79Å; V197-F199 HydrophobicContact CB-CE2 4.32Å; V197-F199 HydrophobicContact CB-CZ 4.26Å; V197-F199 HydrophobicContact CG1-CD1 3.92Å; V197-F199 HydrophobicContact CG1-CD2 4.17Å; V197-F199 HydrophobicContact CG1-CE1 3.45Å; V197-F199 VanDerWaalsContact CG1-CE1 3.45Å; V197-F199 HydrophobicContact CG1-CE2 3.74Å; V197-F199 HydrophobicContact CG1-CG 4.26Å; V197-F199 HydrophobicContact CG1-CZ 3.36Å; V197-H201 PolarHBondContact O-CE1 3Å; V197-H201 VanDerWaalsContact O-CE1 3.31Å |
| 198 | N | 98 | Very high | 97.1 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 107.6 | 171.5 | 173.6 | 27.6 | 0 | 0 | 0 | 110.1 | E77 G200 H201 L202 W206 | E77-N198 HydrophobicContact CB-CB 4.18Å; E77-N198 PolarHBondContact N-O 3.31Å; E77-N198 PolarHBondContact O-N 2.88Å; E77-N198 PolarHBondContact OE2-ND2 3.03Å; N198-G200 VanDerWaalsContact C-N 3.3Å; N198-G200 WeakPolarHBondContact OD1-CA 3.11Å; N198-G200 PolarHBondContact OD1-N 3.2Å; N198-H201 PolarHBondContact OD1-N 3.18Å; N198-L202 HydrophobicContact CB-CD1 3.87Å; N198-L202 HydrophobicContact CB-CG 4.32Å; N198-W206 HydrophobicContact CB-CE3 4.09Å; N198-W206 HydrophobicContact CB-CH2 3.72Å; N198-W206 HydrophobicContact CB-CZ2 4.27Å; N198-W206 HydrophobicContact CB-CZ3 3.6Å |
| 199 | F | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -84.9 | 0.9 | 174 | -65.3 | -58.9 | 0 | 0 | 0 | 114 | V27 V29 F46 A65 F76 P186 F188 V197 F215 I216 N217 | V27-F199 HydrophobicContact CB-CB 4.01Å; V27-F199 HydrophobicContact CB-CD2 4.4Å; V27-F199 HydrophobicContact CB-CG 4.17Å; V27-F199 HydrophobicContact CG1-CB 4.1Å; V27-F199 HydrophobicContact CG1-CD1 3.98Å; V27-F199 HydrophobicContact CG1-CD2 4.02Å; V27-F199 HydrophobicContact CG1-CE1 4.42Å; V27-F199 HydrophobicContact CG1-CE2 4.45Å; V27-F199 HydrophobicContact CG1-CG 3.76Å; V27-F199 WeakPolarHBondContact O-CD2 3.38Å; V29-F199 HydrophobicContact CG2-CE2 4.05Å; V29-F199 HydrophobicContact CG2-CZ 4.08Å; F46-F199 HydrophobicContact CD1-CD2 4.09Å; F46-F199 HydrophobicContact CD1-CE2 4.36Å; F46-F199 AromaticContact CE1-CD2 3.95Å; F46-F199 HydrophobicContact CE1-CD2 3.95Å; F46-F199 HydrophobicContact CE1-CE2 4.44Å; A65-F199 HydrophobicContact CB-CE1 3.84Å; A65-F199 HydrophobicContact CB-CZ 3.76Å; F76-F199 HydrophobicContact CB-CD1 3.96Å; F76-F199 HydrophobicContact CB-CE1 4.48Å; F76-F199 HydrophobicContact CD2-CE1 4.35Å; F76-F199 HydrophobicContact CG-CD1 4.43Å; F76-F199 HydrophobicContact CG-CE1 4.48Å; P186-F199 HydrophobicContact CB-CD1 4.43Å; P186-F199 HydrophobicContact CB-CE1 3.66Å; P186-F199 HydrophobicContact CG-CD1 4.38Å; P186-F199 HydrophobicContact CG-CE1 4.03Å; F188-F199 HydrophobicContact CE1-CZ 4.36Å; V197-F199 HydrophobicContact CB-CE2 4.32Å; V197-F199 HydrophobicContact CB-CZ 4.26Å; V197-F199 HydrophobicContact CG1-CD1 3.92Å; V197-F199 HydrophobicContact CG1-CD2 4.17Å; V197-F199 HydrophobicContact CG1-CE1 3.45Å; V197-F199 VanDerWaalsContact CG1-CE1 3.45Å; V197-F199 HydrophobicContact CG1-CE2 3.74Å; V197-F199 HydrophobicContact CG1-CG 4.26Å; V197-F199 HydrophobicContact CG1-CZ 3.36Å; F199-F215 WeakPolarHBondContact O-CB 3.27Å; F199-I216 HydrophobicContact CB-CG2 3.81Å; F199-I216 HydrophobicContact CD1-CG2 3.71Å; F199-I216 HydrophobicContact CG-CG2 4.15Å; F199-N217 HydrophobicContact CB-CB 4.3Å; F199-N217 WeakPolarHBondContact O-CB 3.44Å; F199-N217 PolarHBondContact O-N 3.32Å |
| 200 | G | 96.9 | Very high | 97 | Very high | 12 Ų | 12 | 43.4 Ų | 43.4 | 12% | 0.124 | 22% | 0.22 | C | C | . | . | S | Bend | trans | 100.3 | 19.7 | -168.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | N198 N217 | N198-G200 VanDerWaalsContact C-N 3.3Å; N198-G200 WeakPolarHBondContact OD1-CA 3.11Å; N198-G200 PolarHBondContact OD1-N 3.2Å; G200-N217 PolarHBondContact O-ND2 3.05Å |
| 201 | H | 94.5 | Very high | 96.9 | Very high | 45 Ų | 45 | 52.3 Ų | 52.3 | 21% | 0.208 | 26% | 0.262 | C | S | . | . | trans | -92.8 | -16.1 | 176.5 | 66.2 | -91.7 | 0 | 0 | 0 | 112.5 | F46 V197 N198 | F46-H201 AromaticContact CD1-CE1 3.19Å; F46-H201 WeakPolarHBondContact CD1-CE1 3.45Å; F46-H201 AromaticContact CD1-ND1 3.6Å; F46-H201 AromaticContact CD1-NE2 3.87Å; F46-H201 AromaticContact CD2-CD2 3.79Å; F46-H201 AromaticContact CD2-CE1 3.48Å; F46-H201 VanDerWaalsContact CD2-CE1 3.48Å; F46-H201 WeakPolarHBondContact CD2-CE1 3.47Å; F46-H201 AromaticContact CD2-NE2 3.23Å; F46-H201 WeakPolarHBondContact CD2-NE2 3.49Å; F46-H201 AromaticContact CE1-CE1 3.54Å; F46-H201 AromaticContact CE1-ND1 3.45Å; F46-H201 WeakPolarHBondContact CE1-ND1 3.5Å; F46-H201 AromaticContact CE2-CD2 3.67Å; F46-H201 AromaticContact CE2-CE1 3.82Å; F46-H201 AromaticContact CE2-CG 3.94Å; F46-H201 AromaticContact CE2-NE2 3.62Å; F46-H201 AromaticContact CG-CE1 3.17Å; F46-H201 WeakPolarHBondContact CG-CE1 3.19Å; F46-H201 AromaticContact CG-ND1 3.96Å; F46-H201 AromaticContact CG-NE2 3.4Å; F46-H201 WeakPolarHBondContact CG-NE2 3.29Å; F46-H201 AromaticContact CZ-CE1 3.87Å; F46-H201 AromaticContact CZ-CG 3.84Å; F46-H201 AromaticContact CZ-ND1 3.71Å; V197-H201 PolarHBondContact O-CE1 3Å; V197-H201 VanDerWaalsContact O-CE1 3.31Å; N198-H201 PolarHBondContact OD1-N 3.18Å | ||
| 202 | L | 95.6 | Very high | 96.9 | Very high | 55 Ų | 55 | 55 Ų | 55 | 29% | 0.288 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -72.2 | 149 | 175.1 | -61.6 | -178.5 | 0 | 0 | 0 | 110.5 | N198 K204 W206 | N198-L202 HydrophobicContact CB-CD1 3.87Å; N198-L202 HydrophobicContact CB-CG 4.32Å; L202-K204 PolarHBondContact O-N 3.25Å; L202-W206 HydrophobicContact CD1-CZ2 3.83Å |
| 203 | E | 93.9 | Very high | 97 | Very high | 187 Ų | 187 | 57 Ų | 57 | 87% | 0.874 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -57.7 | -36.5 | 176 | -170.4 | -165.2 | 151.6 | 0 | 0 | 112.1 | ||
| 204 | K | 95.4 | Very high | 97 | Very high | 152 Ų | 152 | 59.2 Ų | 59.2 | 66% | 0.661 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -134.9 | 136.9 | 176.5 | -65.1 | 179.6 | -174.2 | 170.5 | 0 | 109.6 | L202 | L202-K204 PolarHBondContact O-N 3.25Š|
| 205 | P | 97.3 | Very high | 97 | Very high | 55 Ų | 55 | 57.8 Ų | 57.8 | 36% | 0.357 | 31% | 0.307 | S | S | . | . | trans | -67.8 | 158.8 | 171.3 | 33.3 | -36.9 | 0 | 0 | 0 | 110.5 | F207 F215 | P205-F207 VanDerWaalsContact C-N 3.29Å; P205-F207 WeakPolarHBondContact CB-O 3.21Å; P205-F215 HydrophobicContact CB-CE2 3.55Å; P205-F215 HydrophobicContact CB-CZ 3.52Å; P205-F215 HydrophobicContact CG-CE2 4.14Å | ||
| 206 | W | 98.2 | Very high | 97 | Very high | 61 Ų | 61 | 57.7 Ų | 57.7 | 23% | 0.231 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -68.7 | -35.6 | 175.4 | -61.7 | -49 | 0 | 0 | 0 | 110.9 | E77 K79 V147 E196 N198 L202 | E77-W206 HydrophobicContact CB-CE3 3.63Å; E77-W206 HydrophobicContact CB-CZ3 3.74Å; E77-W206 HydrophobicContact CG-CE3 4.43Å; E77-W206 PolarHBondContact OE2-N 3.48Å; K79-W206 HydrophobicContact CB-CE3 4.22Å; K79-W206 HydrophobicContact CB-CH2 3.82Å; K79-W206 HydrophobicContact CB-CZ2 4.25Å; K79-W206 HydrophobicContact CB-CZ3 3.82Å; V147-W206 HydrophobicContact CG1-CB 4.11Å; V147-W206 HydrophobicContact CG1-CD2 4.32Å; V147-W206 HydrophobicContact CG1-CE3 3.57Å; V147-W206 HydrophobicContact CG1-CZ3 4.36Å; V147-W206 HydrophobicContact CG2-CB 3.99Å; V147-W206 HydrophobicContact CG2-CD2 4.22Å; V147-W206 HydrophobicContact CG2-CE3 4.12Å; V147-W206 HydrophobicContact CG2-CG 4.19Å; E196-W206 HydrophobicContact CB-CH2 4.05Å; E196-W206 HydrophobicContact CB-CZ2 4.37Å; E196-W206 VanDerWaalsContact CD-CZ2 3.47Å; E196-W206 HydrophobicContact CG-CH2 3.85Å; E196-W206 HydrophobicContact CG-CZ2 3.93Å; E196-W206 WeakPolarHBondContact OE2-CZ2 3.27Å; N198-W206 HydrophobicContact CB-CE3 4.09Å; N198-W206 HydrophobicContact CB-CH2 3.72Å; N198-W206 HydrophobicContact CB-CZ2 4.27Å; N198-W206 HydrophobicContact CB-CZ3 3.6Å; L202-W206 HydrophobicContact CD1-CZ2 3.83Å |
| 207 | F | 98.1 | Very high | 96.9 | Very high | 59 Ų | 59 | 57 Ų | 57 | 26% | 0.259 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -133.3 | 147.4 | 171.9 | -66.1 | -85.3 | 0 | 0 | 0 | 111.1 | E77 V147 N164 P205 L209 | E77-F207 PolarHBondContact OE1-N 3.27Å; V147-F207 HydrophobicContact CB-CD2 3.77Å; V147-F207 HydrophobicContact CB-CE2 3.58Å; V147-F207 HydrophobicContact CG1-CD2 3.89Å; V147-F207 HydrophobicContact CG1-CE2 4.22Å; V147-F207 HydrophobicContact CG2-CD2 4.21Å; V147-F207 HydrophobicContact CG2-CE2 3.74Å; N164-F207 VanDerWaalsContact CA-CZ 3.41Å; N164-F207 HydrophobicContact CB-CE1 4.09Å; N164-F207 HydrophobicContact CB-CE2 4.16Å; N164-F207 HydrophobicContact CB-CZ 3.66Å; N164-F207 WeakPolarHBondContact O-CD1 3.25Å; N164-F207 WeakPolarHBondContact O-CE1 3.42Å; P205-F207 VanDerWaalsContact C-N 3.29Å; P205-F207 WeakPolarHBondContact CB-O 3.21Å; F207-L209 PolarHBondContact O-N 2.94Å |
| 208 | P | 96.4 | Very high | 96.8 | Very high | 108 Ų | 108 | 62 Ų | 62 | 70% | 0.701 | 33% | 0.331 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 136.1 | 176.4 | 26.5 | -33.6 | 0 | 0 | 0 | 110.8 | ||
| 209 | L | 97.3 | Very high | 96.7 | Very high | 35 Ų | 35 | 62.7 Ų | 62.7 | 18% | 0.183 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 148.9 | 171.8 | -71.5 | -178.3 | 0 | 0 | 0 | 110.9 | T149 L151 F207 F213 S214 F215 | T149-L209 HydrophobicContact CG2-CD2 3.54Å; L151-L209 HydrophobicContact CD2-CD2 4.13Å; F207-L209 PolarHBondContact O-N 2.94Å; L209-F213 HydrophobicContact CB-CB 4.22Å; L209-F213 HydrophobicContact CD1-CB 4.34Å; L209-S214 VanDerWaalsContact CD1-C 3.49Å; L209-F215 HydrophobicContact CD1-CB 4.47Å; L209-F215 HydrophobicContact CD1-CD1 4.21Å; L209-F215 HydrophobicContact CD1-CD2 3.49Å; L209-F215 VanDerWaalsContact CD1-CD2 3.49Å; L209-F215 HydrophobicContact CD1-CE1 4.3Å; L209-F215 HydrophobicContact CD1-CE2 3.56Å; L209-F215 HydrophobicContact CD1-CG 3.81Å; L209-F215 HydrophobicContact CD1-CZ 3.98Å; L209-F215 HydrophobicContact CD2-CE1 4.1Å; L209-F215 HydrophobicContact CD2-CE2 4.23Å; L209-F215 HydrophobicContact CD2-CZ 3.85Å; L209-F215 HydrophobicContact CG-CD2 4.1Å; L209-F215 HydrophobicContact CG-CE1 4.34Å; L209-F215 HydrophobicContact CG-CE2 3.6Å; L209-F215 HydrophobicContact CG-CZ 3.74Å |
| 210 | P | 96.5 | Very high | 96.6 | Very high | 48 Ų | 48 | 68.6 Ų | 68.6 | 31% | 0.312 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 155.3 | 170.4 | -23.5 | 34.9 | 0 | 0 | 0 | 112.4 | L151 G212 F213 | L151-P210 HydrophobicContact CD1-CG 3.71Å; L151-P210 HydrophobicContact CD2-CG 4.47Å; P210-G212 PolarHBondContact O-N 2.86Å; P210-F213 HydrophobicContact CB-CD2 3.91Å; P210-F213 HydrophobicContact CB-CE2 4.34Å; P210-F213 WeakPolarHBondContact O-CB 3.29Å; P210-F213 PolarHBondContact O-N 2.9Å; P210-F213 VanDerWaalsContact O-N 3.08Å |
| 211 | E | 95.7 | Very high | 96.3 | Very high | 188 Ų | 188 | 70.6 Ų | 70.6 | 88% | 0.879 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | 131.8 | -176.8 | -169.6 | -179.9 | 175.5 | 0 | 0 | 112.7 | F213 | E211-F213 VanDerWaalsContact C-N 3.27Å; E211-F213 PolarHBondContact O-N 3.25Å |
| 212 | G | 96.7 | Very high | 96.2 | Very high | 56 Ų | 56 | 73.4 Ų | 73.4 | 58% | 0.577 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.2 | -0.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | R73 P210 | R73-G212 WeakPolarHBondContact CB-O 3.19Å; P210-G212 PolarHBondContact O-N 2.86Å |
| 213 | F | 98.2 | Very high | 96.1 | Very high | 45 Ų | 45 | 73.8 Ų | 73.8 | 20% | 0.197 | 40% | 0.396 | C | S | . | . | trans | -87.8 | 149 | 168.9 | -74.7 | -100.9 | 0 | 0 | 0 | 111.2 | R73 L151 V152 D153 L209 P210 E211 | R73-F213 HydrophobicContact CB-CD1 3.68Å; R73-F213 HydrophobicContact CB-CD2 4.19Å; R73-F213 HydrophobicContact CB-CE1 3.8Å; R73-F213 HydrophobicContact CB-CE2 4.31Å; R73-F213 HydrophobicContact CB-CG 3.89Å; R73-F213 HydrophobicContact CB-CZ 4.12Å; R73-F213 HydrophobicContact CG-CE1 4.34Å; R73-F213 HydrophobicContact CG-CE2 4.47Å; R73-F213 HydrophobicContact CG-CZ 4.26Å; R73-F213 WeakPolarHBondContact O-CA 3.35Å; L151-F213 HydrophobicContact CB-CD1 4.27Å; L151-F213 HydrophobicContact CB-CE1 3.79Å; L151-F213 HydrophobicContact CB-CZ 4.34Å; L151-F213 HydrophobicContact CD2-CB 4.46Å; L151-F213 HydrophobicContact CD2-CD1 3.63Å; L151-F213 HydrophobicContact CD2-CE1 4.01Å; L151-F213 HydrophobicContact CD2-CG 4.04Å; L151-F213 HydrophobicContact CG-CD1 4.47Å; L151-F213 HydrophobicContact CG-CE1 4.38Å; V152-F213 WeakPolarHBondContact O-CE1 3.32Å; D153-F213 HydrophobicContact CB-CE1 4.4Å; D153-F213 HydrophobicContact CB-CZ 4.06Å; L209-F213 HydrophobicContact CB-CB 4.22Å; L209-F213 HydrophobicContact CD1-CB 4.34Å; P210-F213 HydrophobicContact CB-CD2 3.91Å; P210-F213 HydrophobicContact CB-CE2 4.34Å; P210-F213 WeakPolarHBondContact O-CB 3.29Å; P210-F213 PolarHBondContact O-N 2.9Å; P210-F213 VanDerWaalsContact O-N 3.08Å; E211-F213 VanDerWaalsContact C-N 3.27Å; E211-F213 PolarHBondContact O-N 3.25Å | ||
| 214 | S | 97.7 | Very high | 96.1 | Very high | 45 Ų | 45 | 66 Ų | 66 | 32% | 0.315 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 152.7 | 172.6 | 53 | 0 | 0 | 0 | 0 | 109.8 | R73 V74 G75 L209 | R73-S214 PolarHBondContact O-N 3.15Å; R73-S214 PolarHBondContact O-OG 3.07Å; V74-S214 CarbonylContact C-O 3.53Å; V74-S214 WeakPolarHBondContact CA-O 3.5Å; G75-S214 PolarHBondContact N-O 3.49Å; L209-S214 VanDerWaalsContact CD1-C 3.49Å |
| 215 | F | 98.2 | Very high | 95.9 | Very high | 15 Ų | 15 | 61.2 Ų | 61.2 | 7% | 0.066 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 148.6 | 171.3 | -82.8 | -73.8 | 0 | 0 | 0 | 110.7 | G75 E77 F199 P205 L209 N217 D218 V219 | G75-F215 WeakPolarHBondContact O-CA 3.44Å; E77-F215 HydrophobicContact CG-CE1 3.93Å; E77-F215 HydrophobicContact CG-CZ 4.11Å; F199-F215 WeakPolarHBondContact O-CB 3.27Å; P205-F215 HydrophobicContact CB-CE2 3.55Å; P205-F215 HydrophobicContact CB-CZ 3.52Å; P205-F215 HydrophobicContact CG-CE2 4.14Å; L209-F215 HydrophobicContact CD1-CB 4.47Å; L209-F215 HydrophobicContact CD1-CD1 4.21Å; L209-F215 HydrophobicContact CD1-CD2 3.49Å; L209-F215 VanDerWaalsContact CD1-CD2 3.49Å; L209-F215 HydrophobicContact CD1-CE1 4.3Å; L209-F215 HydrophobicContact CD1-CE2 3.56Å; L209-F215 HydrophobicContact CD1-CG 3.81Å; L209-F215 HydrophobicContact CD1-CZ 3.98Å; L209-F215 HydrophobicContact CD2-CE1 4.1Å; L209-F215 HydrophobicContact CD2-CE2 4.23Å; L209-F215 HydrophobicContact CD2-CZ 3.85Å; L209-F215 HydrophobicContact CG-CD2 4.1Å; L209-F215 HydrophobicContact CG-CE1 4.34Å; L209-F215 HydrophobicContact CG-CE2 3.6Å; L209-F215 HydrophobicContact CG-CZ 3.74Å; F215-N217 PolarHBondContact O-N 3.36Å; F215-D218 WeakPolarHBondContact O-CB 3.39Å; F215-D218 PolarHBondContact O-N 3.14Å; F215-V219 PolarHBondContact O-N 2.86Å |
| 216 | I | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -32.6 | 179.4 | -168.2 | 170.1 | 0 | 0 | 0 | 112.7 | V27 Y67 V69 V74 G75 W104 P186 F199 D218 V219 R224 | V27-I216 HydrophobicContact CB-CG2 4.34Å; V27-I216 HydrophobicContact CG1-CG2 3.97Å; V27-I216 HydrophobicContact CG2-CG1 4.4Å; V27-I216 HydrophobicContact CG2-CG2 4.32Å; Y67-I216 WeakPolarHBondContact O-CD1 3.48Å; V69-I216 HydrophobicContact CG1-CD1 4.19Å; V69-I216 HydrophobicContact CG1-CG1 4.04Å; V74-I216 HydrophobicContact CG1-CB 3.64Å; V74-I216 HydrophobicContact CG1-CG1 4.05Å; G75-I216 PolarHBondContact O-N 3.12Å; W104-I216 HydrophobicContact CZ3-CD1 4.46Å; P186-I216 HydrophobicContact CG-CD1 3.55Å; P186-I216 HydrophobicContact CG-CG2 4.39Å; F199-I216 HydrophobicContact CB-CG2 3.81Å; F199-I216 HydrophobicContact CD1-CG2 3.71Å; F199-I216 HydrophobicContact CG-CG2 4.15Å; I216-D218 VanDerWaalsContact C-N 3.29Å; I216-D218 PolarHBondContact O-N 2.86Å; I216-V219 WeakPolarHBondContact O-CB 3.4Å; I216-V219 PolarHBondContact O-N 3Å; I216-R224 WeakPolarHBondContact O-CD 3.22Å |
| 217 | N | 96.3 | Very high | 95.4 | Very high | 29 Ų | 29 | 59.2 Ų | 59.2 | 16% | 0.155 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -27.4 | 176.9 | -161.7 | 57.3 | 0 | 0 | 0 | 113 | V27 F199 G200 F215 R224 | V27-N217 HydrophobicContact CB-CB 4.41Å; V27-N217 HydrophobicContact CG2-CB 4.26Å; V27-N217 PolarHBondContact N-OD1 3.4Å; F199-N217 HydrophobicContact CB-CB 4.3Å; F199-N217 WeakPolarHBondContact O-CB 3.44Å; F199-N217 PolarHBondContact O-N 3.32Å; G200-N217 PolarHBondContact O-ND2 3.05Å; F215-N217 PolarHBondContact O-N 3.36Å; N217-R224 PolarHBondContact O-NH2 2.9Å |
| 218 | D | 95.8 | Very high | 94.9 | Very high | 105 Ų | 105 | 57.7 Ų | 57.7 | 56% | 0.561 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -14.5 | 178.1 | -61.1 | -31.1 | 0 | 0 | 0 | 112.9 | F215 I216 H220 | F215-D218 WeakPolarHBondContact O-CB 3.39Å; F215-D218 PolarHBondContact O-N 3.14Å; I216-D218 VanDerWaalsContact C-N 3.29Å; I216-D218 PolarHBondContact O-N 2.86Å; D218-H220 PolarHBondContact O-N 3.43Å |
| 219 | V | 96.4 | Very high | 94.6 | Very high | 17 Ų | 17 | 57.6 Ų | 57.6 | 10% | 0.103 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -61.3 | 132.9 | 171.5 | 179.6 | 0 | 0 | 0 | 0 | 108.2 | V69 V74 F215 I216 V221 D223 R224 | V69-V219 HydrophobicContact CG1-CG1 4.37Å; V74-V219 HydrophobicContact CG1-CG2 4.08Å; V74-V219 HydrophobicContact CG2-CG2 3.91Å; F215-V219 PolarHBondContact O-N 2.86Å; I216-V219 WeakPolarHBondContact O-CB 3.4Å; I216-V219 PolarHBondContact O-N 3Å; V219-V221 PolarHBondContact O-N 3.01Å; V219-D223 HydrophobicContact CG1-CB 3.79Å; V219-R224 HydrophobicContact CB-CG 3.95Å; V219-R224 HydrophobicContact CG1-CG 3.86Å; V219-R224 VanDerWaalsContact O-CZ 3.29Å; V219-R224 PolarHBondContact O-NE 3.28Å; V219-R224 PolarHBondContact O-NH2 2.99Å; V219-R224 VanDerWaalsContact O-NH2 3.15Å |
| 220 | H | 94.8 | Very high | 94.2 | Very high | 123 Ų | 123 | 57.6 Ų | 57.6 | 57% | 0.569 | 32% | 0.321 | S | S | * | . | trans | -55.9 | 139.6 | -179.5 | -168.6 | -97.1 | 0 | 0 | 0 | 110.8 | D218 T222 D223 R224 | D218-H220 PolarHBondContact O-N 3.43Å; H220-T222 PolarHBondContact ND1-N 2.85Å; H220-T222 PolarHBondContact ND1-OG1 2.87Å; H220-T222 PolarHBondContact O-N 2.83Å; H220-T222 VanDerWaalsContact O-N 3.09Å; H220-D223 WeakPolarHBondContact O-CA 3.29Å; H220-D223 WeakPolarHBondContact O-CB 3.35Å; H220-D223 PolarHBondContact O-N 3.09Å; H220-R224 PolarHBondContact O-N 3.19Å | ||
| 221 | V | 91.7 | Very high | 93.9 | Very high | 55 Ų | 55 | 56.9 Ų | 56.9 | 33% | 0.333 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -57.7 | -31.6 | -171.6 | 71.3 | 0 | 0 | 0 | 0 | 113.2 | V219 D223 R224 | V219-V221 PolarHBondContact O-N 3.01Å; V221-D223 VanDerWaalsContact C-N 3.26Å; V221-D223 PolarHBondContact O-N 3.04Å; V221-R224 PolarHBondContact O-N 3.41Å |
| 222 | T | 92.3 | Very high | 93.5 | Very high | 104 Ų | 104 | 51.9 Ų | 51.9 | 64% | 0.638 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -72 | -19.3 | 176.8 | 62.5 | 0 | 0 | 0 | 0 | 113.9 | H220 | H220-T222 PolarHBondContact ND1-N 2.85Å; H220-T222 PolarHBondContact ND1-OG1 2.87Å; H220-T222 PolarHBondContact O-N 2.83Å; H220-T222 VanDerWaalsContact O-N 3.09Å |
| 223 | D | 93.1 | Very high | 93.3 | Very high | 63 Ų | 63 | 50.8 Ų | 50.8 | 34% | 0.337 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -97 | -4.8 | 177.2 | -72.6 | -13.6 | 0 | 0 | 0 | 112.1 | K71 V219 H220 V221 | K71-D223 WeakPolarHBondContact CE-OD1 3.23Å; K71-D223 WeakPolarHBondContact CE-OD2 3.31Å; K71-D223 IonicContact NZ-OD1 2.79Å; K71-D223 PolarHBondContact NZ-OD1 2.82Å; K71-D223 IonicContact NZ-OD2 3.89Å; K71-D223 PolarHBondContact NZ-OD2 2.89Å; V219-D223 HydrophobicContact CG1-CB 3.79Å; H220-D223 WeakPolarHBondContact O-CA 3.29Å; H220-D223 WeakPolarHBondContact O-CB 3.35Å; H220-D223 PolarHBondContact O-N 3.09Å; V221-D223 VanDerWaalsContact C-N 3.26Å; V221-D223 PolarHBondContact O-N 3.04Å |
| 224 | R | 94.1 | Very high | 93.1 | Very high | 24 Ų | 24 | 51.3 Ų | 51.3 | 9% | 0.091 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 149.9 | 167.6 | -66.7 | -177 | -94.9 | 165.6 | -9.6 | 109.6 | C25 Y67 V69 I216 N217 V219 H220 V221 | C25-R224 PolarHBondContact O-NH1 3.35Å; C25-R224 PolarHBondContact O-NH2 2.91Å; Y67-R224 HydrophobicContact CD1-CB 3.64Å; Y67-R224 HydrophobicContact CE1-CB 4.3Å; Y67-R224 HydrophobicContact CG-CB 4.22Å; V69-R224 HydrophobicContact CG1-CG 4.35Å; I216-R224 WeakPolarHBondContact O-CD 3.22Å; N217-R224 PolarHBondContact O-NH2 2.9Å; V219-R224 HydrophobicContact CB-CG 3.95Å; V219-R224 HydrophobicContact CG1-CG 3.86Å; V219-R224 VanDerWaalsContact O-CZ 3.29Å; V219-R224 PolarHBondContact O-NE 3.28Å; V219-R224 PolarHBondContact O-NH2 2.99Å; V219-R224 VanDerWaalsContact O-NH2 3.15Å; H220-R224 PolarHBondContact O-N 3.19Å; V221-R224 PolarHBondContact O-N 3.41Å |
| 225 | C | 92.4 | Very high | 93 | Very high | 50 Ų | 50 | 54.7 Ų | 54.7 | 34% | 0.338 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 121.8 | 173.1 | -62.1 | 0 | 0 | 0 | 0 | 109.3 | Y67 G68 L183 | Y67-C225 CarbonylContact C-O 3.6Å; Y67-C225 WeakPolarHBondContact CA-O 3.29Å; G68-C225 PolarHBondContact N-O 2.93Å; G68-C225 PolarHBondContact O-N 3.23Å; L183-C225 HydrophobicContact CD1-CB 3.47Å; L183-C225 VanDerWaalsContact CD1-CB 3.47Å; L183-C225 HydrophobicContact CD2-CB 3.56Å; L183-C225 WeakPolarHBondContact CD2-SG 3.23Å; L183-C225 HydrophobicContact CG-CB 4.16Å |
| 226 | R | 92.3 | Very high | 92.8 | Very high | 71 Ų | 71 | 58.6 Ų | 58.6 | 27% | 0.268 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 135.9 | 179.8 | -171.7 | 66.4 | -174.3 | -158.2 | -14.9 | 109.7 | Y28 S66 Y67 L229 | Y28-R226 PolarHBondContact OH-NH2 2.82Å; S66-R226 WeakPolarHBondContact O-CD 3.38Å; Y67-R226 HydrophobicContact CD1-CB 4.14Å; Y67-R226 HydrophobicContact CE1-CB 3.72Å; Y67-R226 HydrophobicContact CE1-CG 4.21Å; R226-L229 HydrophobicContact CG-CD2 4.48Å |
| 227 | G | 90.9 | Very high | 92.8 | Very high | 4 Ų | 4 | 58.6 Ų | 58.6 | 4% | 0.041 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 165.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S66 L229 | S66-G227 PolarHBondContact O-N 3.27Å; G227-L229 PolarHBondContact O-N 2.93Å |
| 228 | P | 88.7 | Confident | 92.8 | Very high | 26 Ų | 26 | 58.8 Ų | 58.8 | 17% | 0.169 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -51.8 | 136.8 | 175.1 | -30.5 | 35.6 | 0 | 0 | 0 | 112.9 | Y32 N33 E107 R265 | Y32-P228 HydrophobicContact CD1-CB 4.21Å; Y32-P228 WeakPolarHBondContact CD1-O 3.38Å; Y32-P228 HydrophobicContact CE1-CB 3.84Å; N33-P228 WeakPolarHBondContact ND2-CD 3.37Å; E107-P228 HydrophobicContact CG-CG 4.44Å; E107-P228 WeakPolarHBondContact OE1-CD 3.38Å; E107-P228 WeakPolarHBondContact OE1-CG 3.46Å; P228-R265 VanDerWaalsContact CG-CZ 3.49Å |
| 229 | L | 89.1 | Confident | 92.9 | Very high | 106 Ų | 106 | 53.8 Ų | 53.8 | 56% | 0.555 | 30% | 0.302 | S | S | * | . | P | Polyproline II helix | trans | -92.3 | 150.7 | 174.7 | -65.7 | 176.7 | 0 | 0 | 0 | 110.5 | R226 G227 | R226-L229 HydrophobicContact CG-CD2 4.48Å; G227-L229 PolarHBondContact O-N 2.93Å |
| 230 | P | 89.1 | Confident | 92.9 | Very high | 35 Ų | 35 | 53 Ų | 53 | 23% | 0.227 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 161.9 | 168.5 | 27.2 | -34.3 | 0 | 0 | 0 | 111.3 | I19 Y32 K315 | I19-P230 HydrophobicContact CD1-CG 4.23Å; Y32-P230 HydrophobicContact CD2-CB 3.62Å; Y32-P230 HydrophobicContact CE2-CB 4.09Å; Y32-P230 HydrophobicContact CG-CB 4.19Å; P230-K315 HydrophobicContact CB-CB 3.97Å |
| 231 | A | 90.5 | Very high | 93 | Very high | 33 Ų | 33 | 47.1 Ų | 47.1 | 27% | 0.273 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 158.7 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | S233 D236 K315 | A231-S233 VanDerWaalsContact C-N 3.34Å; A231-S233 PolarHBondContact O-N 2.9Å; A231-D236 HydrophobicContact CB-CB 3.95Å; A231-K315 VanDerWaalsContact O-CD 3.24Å; A231-K315 WeakPolarHBondContact O-CD 3.37Å |
| 232 | A | 88.4 | Confident | 93.1 | Very high | 83 Ų | 83 | 44.5 Ų | 44.5 | 69% | 0.686 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -62.2 | -44.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | K315 | A232-K315 PolarHBondContact O-NZ 3.29Š|
| 233 | S | 92.1 | Very high | 93.2 | Very high | 34 Ų | 34 | 39.6 Ų | 39.6 | 24% | 0.238 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -127.9 | 171.3 | -177.9 | 75.6 | 0 | 0 | 0 | 0 | 112.1 | A231 E235 D236 C237 | A231-S233 VanDerWaalsContact C-N 3.34Å; A231-S233 PolarHBondContact O-N 2.9Å; S233-E235 VanDerWaalsContact C-N 3.29Å; S233-E235 VanDerWaalsContact CB-OE2 3.26Å; S233-E235 WeakPolarHBondContact CB-OE2 3.45Å; S233-E235 PolarHBondContact OG-N 2.8Å; S233-E235 PolarHBondContact OG-OE2 3.06Å; S233-D236 PolarHBondContact N-OD2 2.87Å; S233-D236 PolarHBondContact OG-N 3.43Å; S233-D236 PolarHBondContact OG-OD2 3.03Å; S233-C237 PolarHBondContact O-SG 2.91Å; S233-C237 VanDerWaalsContact O-SG 3.39Å |
| 234 | K | 93.6 | Very high | 93.2 | Very high | 56 Ų | 56 | 36.8 Ų | 36.8 | 24% | 0.243 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -75.3 | -26.6 | 172.6 | -70.4 | -178.1 | -178 | -177.4 | 0 | 110.9 | D236 C237 C312 R313 K315 D347 F348 | K234-D236 PolarHBondContact O-N 3.38Å; K234-C237 WeakPolarHBondContact O-CA 3.35Å; K234-C237 VanDerWaalsContact O-CB 3.22Å; K234-C237 WeakPolarHBondContact O-CB 3.3Å; K234-C237 PolarHBondContact O-N 2.93Å; K234-C312 WeakPolarHBondContact CE-O 3.34Å; K234-C312 PolarHBondContact NZ-O 3.49Å; K234-R313 VanDerWaalsContact CE-O 3.32Å; K234-R313 WeakPolarHBondContact CE-O 3.34Å; K234-R313 PolarHBondContact NZ-O 3.23Å; K234-K315 HydrophobicContact CG-CG 4.12Å; K234-D347 CarbonylContact C-O 3.26Å; K234-D347 HydrophobicContact CB-CB 4.24Å; K234-D347 WeakPolarHBondContact CB-O 3.31Å; K234-D347 VanDerWaalsContact O-O 3.1Å; K234-F348 HydrophobicContact CB-CD2 4.29Å; K234-F348 HydrophobicContact CB-CE2 4.08Å; K234-F348 HydrophobicContact CB-CZ 4.26Å; K234-F348 HydrophobicContact CD-CE2 3.84Å; K234-F348 HydrophobicContact CD-CZ 4.17Å; K234-F348 HydrophobicContact CG-CE2 4.15Å; K234-F348 HydrophobicContact CG-CZ 4.13Å |
| 235 | E | 95.1 | Very high | 92.9 | Very high | 115 Ų | 115 | 35.7 Ų | 35.7 | 54% | 0.537 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -31 | -179.5 | -68.1 | 75.5 | -174.9 | 0 | 0 | 111.5 | S233 C237 D347 | S233-E235 VanDerWaalsContact C-N 3.29Å; S233-E235 VanDerWaalsContact CB-OE2 3.26Å; S233-E235 WeakPolarHBondContact CB-OE2 3.45Å; S233-E235 PolarHBondContact OG-N 2.8Å; S233-E235 PolarHBondContact OG-OE2 3.06Å; E235-C237 PolarHBondContact O-N 3.12Å; E235-D347 WeakPolarHBondContact CA-O 3.44Å; E235-D347 PolarHBondContact N-O 2.8Å |
| 236 | D | 95.5 | Very high | 92.6 | Very high | 97 Ų | 97 | 33.5 Ų | 33.5 | 52% | 0.519 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -9.5 | 173.3 | -56.9 | -46.6 | 0 | 0 | 0 | 113 | A231 S233 K234 | A231-D236 HydrophobicContact CB-CB 3.95Å; S233-D236 PolarHBondContact N-OD2 2.87Å; S233-D236 PolarHBondContact OG-N 3.43Å; S233-D236 PolarHBondContact OG-OD2 3.03Å; K234-D236 PolarHBondContact O-N 3.38Å |
| 237 | C | 96.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.007 | 18% | 0.183 | C | C | . | . | trans | -91.8 | 142.6 | 178.7 | -61.1 | 0 | 0 | 0 | 0 | 111.2 | S233 K234 E235 R316 N317 F348 H349 | S233-C237 PolarHBondContact O-SG 2.91Å; S233-C237 VanDerWaalsContact O-SG 3.39Å; K234-C237 WeakPolarHBondContact O-CA 3.35Å; K234-C237 VanDerWaalsContact O-CB 3.22Å; K234-C237 WeakPolarHBondContact O-CB 3.3Å; K234-C237 PolarHBondContact O-N 2.93Å; E235-C237 PolarHBondContact O-N 3.12Å; C237-R316 WeakPolarHBondContact CB-O 3.25Å; C237-R316 PolarHBondContact SG-N 3.02Å; C237-N317 WeakPolarHBondContact CA-OD1 3.43Å; C237-F348 HydrophobicContact CB-CD1 3.4Å; C237-F348 VanDerWaalsContact CB-CD1 3.4Å; C237-F348 HydrophobicContact CB-CE1 3.54Å; C237-H349 PolarHBondContact O-N 3.12Å | ||
| 238 | I | 97.2 | Very high | 92.3 | Very high | 32 Ų | 32 | 30.5 Ų | 30.5 | 16% | 0.164 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 133.8 | -177.8 | -54.4 | 170.5 | 0 | 0 | 0 | 110.6 | I240 Y264 W266 N317 Y318 H349 | I238-I240 HydrophobicContact CG2-CG1 4.08Å; I238-Y264 HydrophobicContact CD1-CD1 4.17Å; I238-Y264 HydrophobicContact CD1-CE1 3.84Å; I238-W266 HydrophobicContact CB-CH2 3.76Å; I238-W266 HydrophobicContact CB-CZ3 4.03Å; I238-W266 HydrophobicContact CD1-CH2 4.27Å; I238-W266 HydrophobicContact CG2-CH2 3.72Å; I238-W266 HydrophobicContact CG2-CZ3 4.08Å; I238-N317 PolarHBondContact N-OD1 3.42Å; I238-N317 CarbonylContact O-C 3.59Å; I238-N317 VanDerWaalsContact O-CA 3.26Å; I238-N317 WeakPolarHBondContact O-CA 3.39Å; I238-Y318 PolarHBondContact O-N 3.31Å; I238-H349 CarbonylContact C-O 3.53Å; I238-H349 WeakPolarHBondContact CA-O 3.05Å; I238-H349 HydrophobicContact CG1-CB 4.32Å |
| 239 | V | 97.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 114.2 | 170.3 | 178.2 | 0 | 0 | 0 | 0 | 109 | Y318 I320 L342 F345 F348 H349 R350 R351 | V239-Y318 WeakPolarHBondContact CA-O 3.19Å; V239-Y318 HydrophobicContact CG2-CD2 4.12Å; V239-I320 HydrophobicContact CG1-CD1 3.71Å; V239-I320 HydrophobicContact CG1-CG1 4.15Å; V239-L342 HydrophobicContact CG1-CD2 4.19Å; V239-F345 HydrophobicContact CB-CD1 4.49Å; V239-F345 HydrophobicContact CG1-CD1 4.41Å; V239-F345 HydrophobicContact CG1-CG 4.43Å; V239-F345 HydrophobicContact CG2-CB 4.25Å; V239-F345 HydrophobicContact CG2-CD1 3.43Å; V239-F345 VanDerWaalsContact CG2-CD1 3.43Å; V239-F345 HydrophobicContact CG2-CE1 3.97Å; V239-F345 HydrophobicContact CG2-CG 4.03Å; V239-F348 HydrophobicContact CG2-CB 3.8Å; V239-F348 HydrophobicContact CG2-CD1 3.55Å; V239-F348 HydrophobicContact CG2-CE1 4.28Å; V239-F348 HydrophobicContact CG2-CG 3.78Å; V239-H349 PolarHBondContact N-O 3.05Å; V239-R350 WeakPolarHBondContact O-CA 3.47Å; V239-R351 PolarHBondContact O-N 3.43Å |
| 240 | I | 97.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 123.3 | 174.5 | -61.3 | 178.1 | 0 | 0 | 0 | 109.4 | I238 M242 F257 W266 Y318 I319 I320 R351 V353 | I238-I240 HydrophobicContact CG2-CG1 4.08Å; I240-M242 HydrophobicContact CG2-SD 3.85Å; I240-F257 HydrophobicContact CD1-CD1 4.32Å; I240-F257 HydrophobicContact CD1-CE1 3.44Å; I240-F257 VanDerWaalsContact CD1-CE1 3.44Å; I240-F257 HydrophobicContact CD1-CZ 3.81Å; I240-W266 HydrophobicContact CD1-CE3 4.44Å; I240-W266 HydrophobicContact CD1-CH2 3.53Å; I240-W266 HydrophobicContact CD1-CZ2 3.98Å; I240-W266 HydrophobicContact CD1-CZ3 3.77Å; I240-W266 HydrophobicContact CG1-CH2 3.97Å; I240-W266 HydrophobicContact CG1-CZ3 3.91Å; I240-Y318 PolarHBondContact N-O 3.4Å; I240-I319 HydrophobicContact CB-CG1 4.26Å; I240-I319 HydrophobicContact CB-CG2 4.49Å; I240-I319 HydrophobicContact CD1-CG1 4.47Å; I240-I319 HydrophobicContact CG2-CG2 4.47Å; I240-I319 CarbonylContact O-C 3.54Å; I240-I319 WeakPolarHBondContact O-CA 3.46Å; I240-I320 PolarHBondContact O-N 3.4Å; I240-R351 CarbonylContact C-O 3.55Å; I240-R351 WeakPolarHBondContact CA-O 3.48Å; I240-R351 HydrophobicContact CG1-CB 4.31Å; I240-V353 HydrophobicContact CG2-CB 4.05Å; I240-V353 HydrophobicContact CG2-CG2 3.57Å |
| 241 | M | 95.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 118.6 | 168.3 | -175.9 | 172.4 | -77.1 | 0 | 0 | 110.7 | I243 I320 N332 R338 K341 L342 R351 V353 F400 | M241-I243 HydrophobicContact CG-CG1 4.2Å; M241-I320 HydrophobicContact CE-CD1 4.25Å; M241-N332 HydrophobicContact CG-CB 4.06Å; M241-N332 WeakPolarHBondContact CG-ND2 3.35Å; M241-N332 HydrophobicContact SD-CB 4.07Å; M241-R338 HydrophobicContact SD-CB 3.94Å; M241-R338 HydrophobicContact SD-CG 3.66Å; M241-K341 HydrophobicContact CE-CB 3.87Å; M241-K341 HydrophobicContact CE-CD 4.2Å; M241-L342 HydrophobicContact CE-CD1 3.75Å; M241-L342 HydrophobicContact CE-CD2 3.87Å; M241-L342 HydrophobicContact CE-CG 3.5Å; M241-L342 HydrophobicContact SD-CD1 3.99Å; M241-L342 HydrophobicContact SD-CG 4.41Å; M241-R351 PolarHBondContact N-O 3.39Å; M241-V353 PolarHBondContact O-N 3.17Å; M241-F400 HydrophobicContact CB-CE1 3.95Å; M241-F400 HydrophobicContact CB-CZ 4.31Å; M241-F400 HydrophobicContact SD-CZ 4.03Å |
| 242 | M | 95.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 125.7 | 175.3 | -57.6 | -56 | -59.4 | 0 | 0 | 110.6 | I240 K250 W253 V254 I319 I320 D321 N332 V353 I355 | I240-M242 HydrophobicContact CG2-SD 3.85Å; M242-K250 HydrophobicContact CB-CB 4.41Å; M242-K250 HydrophobicContact CB-CD 3.84Å; M242-K250 HydrophobicContact CB-CG 4.2Å; M242-K250 HydrophobicContact CE-CB 4.45Å; M242-W253 HydrophobicContact CE-CD2 3.92Å; M242-W253 HydrophobicContact CE-CE3 3.28Å; M242-W253 HydrophobicContact CE-CG 4.44Å; M242-W253 HydrophobicContact CE-CZ3 3.81Å; M242-W253 HydrophobicContact SD-CE3 3.62Å; M242-W253 HydrophobicContact SD-CZ3 3.53Å; M242-W253 VanDerWaalsContact SD-CZ3 3.53Å; M242-V254 HydrophobicContact CE-CG2 4.12Å; M242-V254 HydrophobicContact CG-CG2 3.75Å; M242-V254 HydrophobicContact SD-CG2 3.85Å; M242-I319 HydrophobicContact CG-CG2 3.89Å; M242-I319 HydrophobicContact SD-CG2 4.19Å; M242-I320 PolarHBondContact N-O 2.8Å; M242-I320 VanDerWaalsContact N-O 3.12Å; M242-D321 HydrophobicContact CG-CB 4.35Å; M242-N332 WeakPolarHBondContact O-CB 3.16Å; M242-N332 PolarHBondContact O-ND2 2.84Å; M242-V353 HydrophobicContact CE-CB 4.09Å; M242-V353 HydrophobicContact CE-CG1 3.65Å; M242-V353 HydrophobicContact SD-CB 3.87Å; M242-V353 HydrophobicContact SD-CG1 4.05Å; M242-I355 HydrophobicContact CE-CD1 3.47Å; M242-I355 VanDerWaalsContact CE-CD1 3.47Å; M242-I355 HydrophobicContact CE-CG1 4.32Å |
| 243 | I | 93.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 125.1 | -179.1 | -59.5 | 170 | 0 | 0 | 0 | 109.5 | M241 N332 V333 A352 V353 I354 I355 F390 P393 F400 | M241-I243 HydrophobicContact CG-CG1 4.2Å; I243-N332 HydrophobicContact CG1-CB 4.19Å; I243-V333 HydrophobicContact CG2-CG1 4.49Å; I243-A352 HydrophobicContact CD1-CB 3.99Å; I243-V353 PolarHBondContact N-O 2.79Å; I243-I354 HydrophobicContact CB-CG1 4.4Å; I243-I354 HydrophobicContact CD1-CD1 4.38Å; I243-I354 WeakPolarHBondContact O-CA 3.35Å; I243-I355 PolarHBondContact O-N 3.5Å; I243-F390 HydrophobicContact CG2-CE2 4.05Å; I243-P393 HydrophobicContact CD1-CB 4.24Å; I243-P393 HydrophobicContact CD1-CG 3.68Å; I243-F400 HydrophobicContact CD1-CE2 4.42Å; I243-F400 HydrophobicContact CD1-CZ 4.09Å |
| 244 | G | 92.3 | Very high | 92.9 | Very high | 4 Ų | 4 | 25.8 Ų | 25.8 | 4% | 0.041 | 14% | 0.142 | C | C | . | . | S | Bend | trans | 162.5 | 158.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.2 | K250 | G244-K250 PolarHBondContact O-NZ 3.23Š|
| 245 | L | 89.2 | Confident | 92.8 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | trans | -62.6 | 157.3 | -179.5 | -73.1 | 178 | 0 | 0 | 0 | 112.4 | C248 K250 Y362 M385 K386 F390 Y420 | L245-C248 VanDerWaalsContact O-CB 3.29Å; L245-C248 WeakPolarHBondContact O-CB 3.4Å; L245-C248 PolarHBondContact O-N 3.5Å; L245-C248 PolarHBondContact O-SG 3.12Å; L245-K250 PolarHBondContact O-NZ 3.2Å; L245-Y362 HydrophobicContact CB-CE2 3.87Å; L245-Y362 WeakPolarHBondContact CB-OH 3.25Å; L245-Y362 HydrophobicContact CD1-CE1 4.12Å; L245-M385 HydrophobicContact CD2-CB 4.14Å; L245-K386 HydrophobicContact CD1-CG 3.89Å; L245-K386 HydrophobicContact CD2-CG 4.35Å; L245-F390 HydrophobicContact CD1-CD1 4.16Å; L245-F390 HydrophobicContact CD1-CE1 4.32Å; L245-F390 HydrophobicContact CD2-CD1 3.8Å; L245-F390 HydrophobicContact CD2-CE1 4.34Å; L245-F390 HydrophobicContact CD2-CG 4.48Å; L245-F390 HydrophobicContact CG-CD1 3.64Å; L245-F390 HydrophobicContact CG-CE1 3.72Å; L245-Y420 HydrophobicContact CD1-CD2 3.55Å; L245-Y420 HydrophobicContact CD1-CE2 3.58Å; L245-Y420 HydrophobicContact CD1-CG 4.16Å | ||
| 246 | P | 85.2 | Confident | 92.8 | Very high | 4 Ų | 4 | 27.4 Ų | 27.4 | 3% | 0.026 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 140.6 | 169.4 | -23.7 | 33.4 | 0 | 0 | 0 | 113.1 | C248 L323 I324 Y362 I377 L382 M385 | P246-C248 PolarHBondContact O-N 3.35Å; P246-L323 HydrophobicContact CB-CD1 3.74Å; P246-L323 HydrophobicContact CG-CD1 3.91Å; P246-I324 HydrophobicContact CB-CD1 3.52Å; P246-I324 HydrophobicContact CG-CD1 3.24Å; P246-I324 HydrophobicContact CG-CG1 4.1Å; P246-Y362 WeakPolarHBondContact O-CE2 3.31Å; P246-Y362 PolarHBondContact O-OH 3.09Å; P246-I377 HydrophobicContact CB-CD1 3.19Å; P246-I377 HydrophobicContact CG-CD1 3.96Å; P246-L382 HydrophobicContact CG-CD1 4.4Å; P246-M385 HydrophobicContact CG-SD 3.67Å |
| 247 | G | 85.2 | Confident | 92.8 | Very high | 9 Ų | 9 | 24.1 Ų | 24.1 | 9% | 0.093 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | -0.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | G249 R365 E369 | G247-G249 VanDerWaalsContact C-N 3.25Å; G247-G249 PolarHBondContact O-N 2.72Å; G247-R365 VanDerWaalsContact O-CB 3.24Å; G247-R365 WeakPolarHBondContact O-CB 3.24Å; G247-E369 WeakPolarHBondContact CA-OE2 3.42Å; G247-E369 PolarHBondContact N-OE2 3.4Å |
| 248 | C | 90.8 | Very high | 92.7 | Very high | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.014 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -72.9 | -14.2 | -179.2 | 75.6 | 0 | 0 | 0 | 0 | 114.2 | L245 P246 I355 P357 Y362 R365 | L245-C248 VanDerWaalsContact O-CB 3.29Å; L245-C248 WeakPolarHBondContact O-CB 3.4Å; L245-C248 PolarHBondContact O-N 3.5Å; L245-C248 PolarHBondContact O-SG 3.12Å; P246-C248 PolarHBondContact O-N 3.35Å; C248-I355 HydrophobicContact CB-CG2 4.22Å; C248-I355 WeakPolarHBondContact O-CG2 3.45Å; C248-I355 PolarHBondContact SG-O 3.27Å; C248-I355 VanDerWaalsContact SG-O 3.38Å; C248-P357 HydrophobicContact CB-CG 4.2Å; C248-Y362 HydrophobicContact CB-CD2 3.94Å; C248-Y362 HydrophobicContact CB-CE2 3.93Å; C248-R365 PolarHBondContact O-NH1 2.85Å |
| 249 | G | 90.4 | Very high | 92.5 | Very high | 16 Ų | 16 | 31.9 Ų | 31.9 | 17% | 0.165 | 18% | 0.175 | C | C | . | . | S | Bend | trans | 116.5 | 4.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | G247 S251 T252 W253 | G247-G249 VanDerWaalsContact C-N 3.25Å; G247-G249 PolarHBondContact O-N 2.72Å; G249-S251 PolarHBondContact O-N 2.72Å; G249-T252 WeakPolarHBondContact O-CB 3.47Å; G249-T252 PolarHBondContact O-N 3.5Å; G249-W253 PolarHBondContact O-N 3.14Å |
| 250 | K | 90.9 | Very high | 92.4 | Very high | 7 Ų | 7 | 37 Ų | 37 | 3% | 0.03 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -44.9 | -61.7 | 179.3 | -66.3 | -176.1 | -64.1 | -68.9 | 0 | 114.1 | M242 G244 L245 T252 W253 V254 D321 I355 | M242-K250 HydrophobicContact CB-CB 4.41Å; M242-K250 HydrophobicContact CB-CD 3.84Å; M242-K250 HydrophobicContact CB-CG 4.2Å; M242-K250 HydrophobicContact CE-CB 4.45Å; G244-K250 PolarHBondContact O-NZ 3.23Å; L245-K250 PolarHBondContact O-NZ 3.2Å; K250-T252 PolarHBondContact O-N 3.47Å; K250-W253 WeakPolarHBondContact O-CB 3.4Å; K250-W253 PolarHBondContact O-N 3.02Å; K250-V254 WeakPolarHBondContact O-CG2 3.38Å; K250-V254 PolarHBondContact O-N 3.27Å; K250-D321 WeakPolarHBondContact CB-OD1 3.27Å; K250-I355 HydrophobicContact CG-CD1 4.27Å |
| 251 | S | 88.5 | Confident | 92.2 | Very high | 43 Ų | 43 | 37.3 Ų | 37.3 | 30% | 0.301 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.9 | -24.8 | -176.6 | -44.6 | 0 | 0 | 0 | 0 | 113.2 | G249 K255 D321 | G249-S251 PolarHBondContact O-N 2.72Å; S251-K255 VanDerWaalsContact O-CG 3.3Å; S251-K255 WeakPolarHBondContact O-CG 3.49Å; S251-K255 PolarHBondContact O-N 3.47Å; S251-D321 WeakPolarHBondContact CA-OD2 3.49Å; S251-D321 WeakPolarHBondContact CB-OD2 3.36Å; S251-D321 PolarHBondContact OG-OD2 3.18Å |
| 252 | T | 91.5 | Very high | 92 | Very high | 99 Ų | 99 | 41.5 Ų | 41.5 | 61% | 0.607 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -70.1 | -46.5 | 172.9 | -56.3 | 0 | 0 | 0 | 0 | 110.5 | G249 K250 K255 S256 | G249-T252 WeakPolarHBondContact O-CB 3.47Å; G249-T252 PolarHBondContact O-N 3.5Å; K250-T252 PolarHBondContact O-N 3.47Å; T252-K255 PolarHBondContact O-N 3.47Å; T252-S256 PolarHBondContact O-N 3.11Å; T252-S256 VanDerWaalsContact O-N 3.11Å |
| 253 | W | 94.6 | Very high | 91.7 | Very high | 47 Ų | 47 | 47.5 Ų | 47.5 | 18% | 0.178 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.3 | -47.1 | 175 | -176.4 | 91.2 | 0 | 0 | 0 | 111.2 | M242 G249 K250 K255 S256 F257 V353 I355 I406 | M242-W253 HydrophobicContact CE-CD2 3.92Å; M242-W253 HydrophobicContact CE-CE3 3.28Å; M242-W253 HydrophobicContact CE-CG 4.44Å; M242-W253 HydrophobicContact CE-CZ3 3.81Å; M242-W253 HydrophobicContact SD-CE3 3.62Å; M242-W253 HydrophobicContact SD-CZ3 3.53Å; M242-W253 VanDerWaalsContact SD-CZ3 3.53Å; G249-W253 PolarHBondContact O-N 3.14Å; K250-W253 WeakPolarHBondContact O-CB 3.4Å; K250-W253 PolarHBondContact O-N 3.02Å; W253-K255 VanDerWaalsContact C-N 3.33Å; W253-K255 PolarHBondContact O-N 2.78Å; W253-S256 PolarHBondContact O-N 3.11Å; W253-S256 VanDerWaalsContact O-N 3.11Å; W253-F257 HydrophobicContact CD2-CB 4.24Å; W253-F257 HydrophobicContact CE3-CB 4Å; W253-F257 HydrophobicContact CE3-CG 4.42Å; W253-F257 HydrophobicContact CH2-CB 3.91Å; W253-F257 AromaticContact CH2-CD1 3.82Å; W253-F257 HydrophobicContact CH2-CD1 3.82Å; W253-F257 AromaticContact CH2-CD2 3.54Å; W253-F257 HydrophobicContact CH2-CD2 3.54Å; W253-F257 HydrophobicContact CH2-CE1 4.21Å; W253-F257 AromaticContact CH2-CE2 3.98Å; W253-F257 HydrophobicContact CH2-CE2 3.98Å; W253-F257 AromaticContact CH2-CG 3.46Å; W253-F257 HydrophobicContact CH2-CG 3.46Å; W253-F257 VanDerWaalsContact CH2-CG 3.46Å; W253-F257 HydrophobicContact CH2-CZ 4.29Å; W253-F257 HydrophobicContact CZ2-CB 4.16Å; W253-F257 AromaticContact CZ2-CD2 3.63Å; W253-F257 HydrophobicContact CZ2-CD2 3.63Å; W253-F257 HydrophobicContact CZ2-CE2 4.2Å; W253-F257 AromaticContact CZ2-CG 3.91Å; W253-F257 HydrophobicContact CZ2-CG 3.91Å; W253-F257 HydrophobicContact CZ3-CB 3.83Å; W253-F257 AromaticContact CZ3-CD1 3.93Å; W253-F257 HydrophobicContact CZ3-CD1 3.93Å; W253-F257 HydrophobicContact CZ3-CD2 4.3Å; W253-F257 AromaticContact CZ3-CG 3.75Å; W253-F257 HydrophobicContact CZ3-CG 3.75Å; W253-F257 VanDerWaalsContact O-CB 3.3Å; W253-F257 WeakPolarHBondContact O-CB 3.3Å; W253-F257 PolarHBondContact O-N 2.89Å; W253-V353 HydrophobicContact CD2-CG1 4.24Å; W253-V353 HydrophobicContact CE3-CG1 4.25Å; W253-V353 HydrophobicContact CH2-CB 4.33Å; W253-V353 HydrophobicContact CH2-CG1 3.87Å; W253-V353 HydrophobicContact CH2-CG2 3.83Å; W253-V353 HydrophobicContact CZ2-CG1 3.84Å; W253-V353 HydrophobicContact CZ2-CG2 4.3Å; W253-V353 HydrophobicContact CZ3-CG1 4.07Å; W253-V353 HydrophobicContact CZ3-CG2 4.37Å; W253-I355 HydrophobicContact CB-CD1 3.65Å; W253-I355 HydrophobicContact CG-CD1 3.94Å; W253-I406 HydrophobicContact CZ2-CD1 4Å |
| 254 | V | 94.9 | Very high | 91.6 | Very high | 6 Ų | 6 | 50.4 Ų | 50.4 | 4% | 0.036 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -55.6 | -47.1 | 178.6 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | M242 K250 S256 F257 I258 V268 I319 D321 | M242-V254 HydrophobicContact CE-CG2 4.12Å; M242-V254 HydrophobicContact CG-CG2 3.75Å; M242-V254 HydrophobicContact SD-CG2 3.85Å; K250-V254 WeakPolarHBondContact O-CG2 3.38Å; K250-V254 PolarHBondContact O-N 3.27Å; V254-S256 PolarHBondContact O-N 3.32Å; V254-F257 PolarHBondContact O-N 3.32Å; V254-I258 HydrophobicContact CG1-CD1 3.8Å; V254-I258 HydrophobicContact CG1-CG1 4.47Å; V254-I258 VanDerWaalsContact O-CG1 3.29Å; V254-I258 WeakPolarHBondContact O-CG1 3.38Å; V254-I258 PolarHBondContact O-N 3.11Å; V254-V268 HydrophobicContact CG1-CG1 4.35Å; V254-V268 HydrophobicContact CG1-CG2 3.75Å; V254-I319 HydrophobicContact CG1-CD1 4.09Å; V254-I319 HydrophobicContact CG1-CG2 4.12Å; V254-I319 HydrophobicContact CG2-CG2 3.79Å; V254-D321 HydrophobicContact CG2-CB 4.4Å |
| 255 | K | 92.9 | Very high | 91.6 | Very high | 154 Ų | 154 | 54 Ų | 54 | 67% | 0.67 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -60.7 | -45.2 | 177.1 | -73.8 | 177.4 | -178.4 | -166.5 | 0 | 112.3 | S251 T252 W253 F257 L259 | S251-K255 VanDerWaalsContact O-CG 3.3Å; S251-K255 WeakPolarHBondContact O-CG 3.49Å; S251-K255 PolarHBondContact O-N 3.47Å; T252-K255 PolarHBondContact O-N 3.47Å; W253-K255 VanDerWaalsContact C-N 3.33Å; W253-K255 PolarHBondContact O-N 2.78Å; K255-F257 VanDerWaalsContact C-N 3.33Å; K255-L259 WeakPolarHBondContact O-CG 3.35Å; K255-L259 PolarHBondContact O-N 3.35Å |
| 256 | S | 94.8 | Very high | 91.8 | Very high | 51 Ų | 51 | 55 Ų | 55 | 36% | 0.357 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.5 | -38.2 | 177.4 | -176.9 | 0 | 0 | 0 | 0 | 112.1 | T252 W253 V254 L259 K260 | T252-S256 PolarHBondContact O-N 3.11Å; T252-S256 VanDerWaalsContact O-N 3.11Å; W253-S256 PolarHBondContact O-N 3.11Å; W253-S256 VanDerWaalsContact O-N 3.11Å; V254-S256 PolarHBondContact O-N 3.32Å; S256-L259 PolarHBondContact O-N 3.48Å; S256-K260 WeakPolarHBondContact O-CG 3.47Å; S256-K260 PolarHBondContact O-N 3.28Å |
| 257 | F | 95.6 | Very high | 92.2 | Very high | 28 Ų | 28 | 57.1 Ų | 57.1 | 12% | 0.123 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.7 | -45 | -177.1 | -179.2 | -105.7 | 0 | 0 | 0 | 111.3 | I240 W253 V254 K255 L259 K260 S261 W266 I319 | I240-F257 HydrophobicContact CD1-CD1 4.32Å; I240-F257 HydrophobicContact CD1-CE1 3.44Å; I240-F257 VanDerWaalsContact CD1-CE1 3.44Å; I240-F257 HydrophobicContact CD1-CZ 3.81Å; W253-F257 HydrophobicContact CD2-CB 4.24Å; W253-F257 HydrophobicContact CE3-CB 4Å; W253-F257 HydrophobicContact CE3-CG 4.42Å; W253-F257 HydrophobicContact CH2-CB 3.91Å; W253-F257 AromaticContact CH2-CD1 3.82Å; W253-F257 HydrophobicContact CH2-CD1 3.82Å; W253-F257 AromaticContact CH2-CD2 3.54Å; W253-F257 HydrophobicContact CH2-CD2 3.54Å; W253-F257 HydrophobicContact CH2-CE1 4.21Å; W253-F257 AromaticContact CH2-CE2 3.98Å; W253-F257 HydrophobicContact CH2-CE2 3.98Å; W253-F257 AromaticContact CH2-CG 3.46Å; W253-F257 HydrophobicContact CH2-CG 3.46Å; W253-F257 VanDerWaalsContact CH2-CG 3.46Å; W253-F257 HydrophobicContact CH2-CZ 4.29Å; W253-F257 HydrophobicContact CZ2-CB 4.16Å; W253-F257 AromaticContact CZ2-CD2 3.63Å; W253-F257 HydrophobicContact CZ2-CD2 3.63Å; W253-F257 HydrophobicContact CZ2-CE2 4.2Å; W253-F257 AromaticContact CZ2-CG 3.91Å; W253-F257 HydrophobicContact CZ2-CG 3.91Å; W253-F257 HydrophobicContact CZ3-CB 3.83Å; W253-F257 AromaticContact CZ3-CD1 3.93Å; W253-F257 HydrophobicContact CZ3-CD1 3.93Å; W253-F257 HydrophobicContact CZ3-CD2 4.3Å; W253-F257 AromaticContact CZ3-CG 3.75Å; W253-F257 HydrophobicContact CZ3-CG 3.75Å; W253-F257 VanDerWaalsContact O-CB 3.3Å; W253-F257 WeakPolarHBondContact O-CB 3.3Å; W253-F257 PolarHBondContact O-N 2.89Å; V254-F257 PolarHBondContact O-N 3.32Å; K255-F257 VanDerWaalsContact C-N 3.33Å; F257-L259 VanDerWaalsContact C-N 3.33Å; F257-L259 PolarHBondContact O-N 3.41Å; F257-K260 PolarHBondContact O-N 3.14Å; F257-K260 VanDerWaalsContact O-N 3.14Å; F257-S261 PolarHBondContact O-N 3.05Å; F257-S261 PolarHBondContact O-OG 3.04Å; F257-W266 HydrophobicContact CE1-CD2 4.23Å; F257-W266 AromaticContact CE1-CE2 3.47Å; F257-W266 VanDerWaalsContact CE1-CE2 3.47Å; F257-W266 HydrophobicContact CE1-CH2 4.35Å; F257-W266 AromaticContact CE1-CZ2 3.57Å; F257-W266 HydrophobicContact CE1-CZ2 3.57Å; F257-W266 AromaticContact CE1-NE1 3.48Å; F257-W266 AromaticContact CZ-CZ2 3.93Å; F257-W266 HydrophobicContact CZ-CZ2 3.93Å; F257-I319 HydrophobicContact CD1-CD1 3.93Å; F257-I319 HydrophobicContact CE1-CD1 4.33Å |
| 258 | I | 94.4 | Very high | 92.7 | Very high | 52 Ų | 52 | 58 Ų | 58 | 27% | 0.267 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.5 | -42.4 | 176 | -66 | 170.9 | 0 | 0 | 0 | 111.4 | V254 K260 S261 W266 V268 I319 | V254-I258 HydrophobicContact CG1-CD1 3.8Å; V254-I258 HydrophobicContact CG1-CG1 4.47Å; V254-I258 VanDerWaalsContact O-CG1 3.29Å; V254-I258 WeakPolarHBondContact O-CG1 3.38Å; V254-I258 PolarHBondContact O-N 3.11Å; I258-K260 PolarHBondContact O-N 2.9Å; I258-S261 CarbonylContact O-C 3.6Å; I258-S261 PolarHBondContact O-N 3.36Å; I258-W266 HydrophobicContact CD1-CB 4.29Å; I258-W266 HydrophobicContact CG1-CB 3.94Å; I258-W266 HydrophobicContact CG1-CG 4.22Å; I258-V268 HydrophobicContact CD1-CG2 3.39Å; I258-I319 HydrophobicContact CD1-CD1 4.22Å; I258-I319 HydrophobicContact CG1-CD1 3.97Å |
| 259 | L | 93 | Very high | 92.8 | Very high | 144 Ų | 144 | 58.3 Ų | 58.3 | 75% | 0.754 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -64.5 | -29.1 | 178.2 | -72.7 | 172 | 0 | 0 | 0 | 113.1 | K255 S256 F257 | K255-L259 WeakPolarHBondContact O-CG 3.35Å; K255-L259 PolarHBondContact O-N 3.35Å; S256-L259 PolarHBondContact O-N 3.48Å; F257-L259 VanDerWaalsContact C-N 3.33Å; F257-L259 PolarHBondContact O-N 3.41Å |
| 260 | K | 94.6 | Very high | 92.8 | Very high | 107 Ų | 107 | 57.8 Ų | 57.8 | 47% | 0.465 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -90.2 | -10.2 | 179.5 | -68.7 | -176.4 | -179.6 | -169.7 | 0 | 113.7 | S256 F257 I258 P262 D464 C466 | S256-K260 WeakPolarHBondContact O-CG 3.47Å; S256-K260 PolarHBondContact O-N 3.28Å; F257-K260 PolarHBondContact O-N 3.14Å; F257-K260 VanDerWaalsContact O-N 3.14Å; I258-K260 PolarHBondContact O-N 2.9Å; K260-P262 VanDerWaalsContact C-CD 3.48Å; K260-D464 IonicContact NZ-OD1 3.36Å; K260-C466 WeakPolarHBondContact CD-SG 3.42Å; K260-C466 PolarHBondContact NZ-SG 3.07Å |
| 261 | S | 93.3 | Very high | 92.6 | Very high | 9 Ų | 9 | 57.9 Ų | 57.9 | 6% | 0.063 | 29% | 0.293 | C | S | . | . | trans | -137 | 52.6 | -177.2 | 60.7 | 0 | 0 | 0 | 0 | 112.5 | F257 I258 E263 Y264 W266 | F257-S261 PolarHBondContact O-N 3.05Å; F257-S261 PolarHBondContact O-OG 3.04Å; I258-S261 CarbonylContact O-C 3.6Å; I258-S261 PolarHBondContact O-N 3.36Å; S261-E263 WeakPolarHBondContact CA-OE1 3.41Å; S261-E263 WeakPolarHBondContact CA-OE2 3.49Å; S261-E263 PolarHBondContact O-N 3.07Å; S261-Y264 PolarHBondContact O-N 3.29Å; S261-W266 PolarHBondContact OG-NE1 3.46Å | ||
| 262 | P | 90.3 | Very high | 92.6 | Very high | 87 Ų | 87 | 57.3 Ų | 57.3 | 57% | 0.565 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -61.3 | -27.2 | -175.2 | 27.1 | -36.4 | 0 | 0 | 0 | 114 | K260 Y264 R265 | K260-P262 VanDerWaalsContact C-CD 3.48Å; P262-Y264 PolarHBondContact O-N 3.33Å; P262-R265 PolarHBondContact O-N 3.17Å; P262-R265 VanDerWaalsContact O-N 3.14Å |
| 263 | E | 89.9 | Confident | 92.6 | Very high | 126 Ų | 126 | 54.8 Ų | 54.8 | 59% | 0.589 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -60.3 | -28.5 | -179.8 | 65.9 | -73.4 | 170 | 0 | 0 | 113.5 | S261 R265 | S261-E263 WeakPolarHBondContact CA-OE1 3.41Å; S261-E263 WeakPolarHBondContact CA-OE2 3.49Å; S261-E263 PolarHBondContact O-N 3.07Å; E263-R265 VanDerWaalsContact C-N 3.35Å |
| 264 | Y | 91.7 | Very high | 92.5 | Very high | 61 Ų | 61 | 52.6 Ų | 52.6 | 24% | 0.239 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -81.5 | -12.5 | 179.6 | -70.2 | -87.2 | 0 | 0 | 0 | 113.6 | I238 S261 P262 W266 N317 L473 | I238-Y264 HydrophobicContact CD1-CD1 4.17Å; I238-Y264 HydrophobicContact CD1-CE1 3.84Å; S261-Y264 PolarHBondContact O-N 3.29Å; P262-Y264 PolarHBondContact O-N 3.33Å; Y264-W266 VanDerWaalsContact C-N 3.34Å; Y264-W266 VanDerWaalsContact CB-CE2 3.48Å; Y264-W266 HydrophobicContact CD1-CZ2 4.1Å; Y264-W266 HydrophobicContact CD2-CZ2 4.35Å; Y264-W266 AromaticContact CG-CZ2 3.81Å; Y264-W266 HydrophobicContact CG-CZ2 3.81Å; Y264-W266 PolarHBondContact O-N 3.49Å; Y264-N317 WeakPolarHBondContact O-CB 3.46Å; Y264-N317 PolarHBondContact O-ND2 2.65Å; Y264-L473 WeakPolarHBondContact OH-CD1 3.43Å |
| 265 | R | 91.5 | Very high | 92.4 | Very high | 79 Ų | 79 | 53.3 Ų | 53.3 | 30% | 0.298 | 27% | 0.269 | S | S | . | . | trans | 47.8 | 51.3 | 178.5 | -57.2 | -172 | 70 | 88.3 | -6.8 | 113.9 | N33 E107 P228 P262 E263 L267 | N33-R265 PolarHBondContact OD1-NH2 2.84Å; E107-R265 IonicContact OE1-CZ 3.92Å; E107-R265 IonicContact OE1-NH1 3.14Å; E107-R265 PolarHBondContact OE1-NH1 3.38Å; E107-R265 IonicContact OE1-NH2 3.25Å; P228-R265 VanDerWaalsContact CG-CZ 3.49Å; P262-R265 PolarHBondContact O-N 3.17Å; P262-R265 VanDerWaalsContact O-N 3.14Å; E263-R265 VanDerWaalsContact C-N 3.35Å; R265-L267 PolarHBondContact O-N 3.05Å | ||
| 266 | W | 93.6 | Very high | 92.4 | Very high | 25 Ų | 25 | 50 Ų | 50 | 10% | 0.095 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -55.6 | 129.2 | -176.9 | -62.7 | 104.2 | 0 | 0 | 0 | 113.8 | I238 I240 F257 I258 S261 Y264 N317 I319 | I238-W266 HydrophobicContact CB-CH2 3.76Å; I238-W266 HydrophobicContact CB-CZ3 4.03Å; I238-W266 HydrophobicContact CD1-CH2 4.27Å; I238-W266 HydrophobicContact CG2-CH2 3.72Å; I238-W266 HydrophobicContact CG2-CZ3 4.08Å; I240-W266 HydrophobicContact CD1-CE3 4.44Å; I240-W266 HydrophobicContact CD1-CH2 3.53Å; I240-W266 HydrophobicContact CD1-CZ2 3.98Å; I240-W266 HydrophobicContact CD1-CZ3 3.77Å; I240-W266 HydrophobicContact CG1-CH2 3.97Å; I240-W266 HydrophobicContact CG1-CZ3 3.91Å; F257-W266 HydrophobicContact CE1-CD2 4.23Å; F257-W266 AromaticContact CE1-CE2 3.47Å; F257-W266 VanDerWaalsContact CE1-CE2 3.47Å; F257-W266 HydrophobicContact CE1-CH2 4.35Å; F257-W266 AromaticContact CE1-CZ2 3.57Å; F257-W266 HydrophobicContact CE1-CZ2 3.57Å; F257-W266 AromaticContact CE1-NE1 3.48Å; F257-W266 AromaticContact CZ-CZ2 3.93Å; F257-W266 HydrophobicContact CZ-CZ2 3.93Å; I258-W266 HydrophobicContact CD1-CB 4.29Å; I258-W266 HydrophobicContact CG1-CB 3.94Å; I258-W266 HydrophobicContact CG1-CG 4.22Å; S261-W266 PolarHBondContact OG-NE1 3.46Å; Y264-W266 VanDerWaalsContact C-N 3.34Å; Y264-W266 VanDerWaalsContact CB-CE2 3.48Å; Y264-W266 HydrophobicContact CD1-CZ2 4.1Å; Y264-W266 HydrophobicContact CD2-CZ2 4.35Å; Y264-W266 AromaticContact CG-CZ2 3.81Å; Y264-W266 HydrophobicContact CG-CZ2 3.81Å; Y264-W266 PolarHBondContact O-N 3.49Å; W266-N317 HydrophobicContact CD2-CB 4.2Å; W266-N317 HydrophobicContact CE3-CB 3.59Å; W266-N317 HydrophobicContact CH2-CB 4.3Å; W266-N317 HydrophobicContact CZ3-CB 3.67Å; W266-I319 HydrophobicContact CB-CD1 3.93Å; W266-I319 HydrophobicContact CB-CG1 4.18Å; W266-I319 HydrophobicContact CD2-CD1 3.91Å; W266-I319 HydrophobicContact CD2-CG1 3.94Å; W266-I319 HydrophobicContact CE3-CD1 4.08Å; W266-I319 HydrophobicContact CE3-CG1 3.57Å; W266-I319 HydrophobicContact CG-CD1 3.84Å; W266-I319 HydrophobicContact CG-CG1 4.21Å; W266-I319 HydrophobicContact CZ3-CG1 4.29Å |
| 267 | L | 94.3 | Very high | 92.4 | Very high | 47 Ų | 47 | 48.2 Ų | 48.2 | 25% | 0.246 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 117.4 | 165.5 | -168.2 | 73.9 | 0 | 0 | 0 | 110.7 | L36 R265 L269 N317 Y318 I319 | L36-L267 HydrophobicContact CD1-CD2 3.8Å; L36-L267 HydrophobicContact CD2-CD2 4.43Å; L36-L267 HydrophobicContact CG-CD2 3.89Å; R265-L267 PolarHBondContact O-N 3.05Å; L267-L269 HydrophobicContact CD2-CD2 4.16Å; L267-N317 PolarHBondContact N-O 2.88Å; L267-Y318 HydrophobicContact CB-CD1 3.87Å; L267-Y318 HydrophobicContact CB-CE1 4.05Å; L267-Y318 HydrophobicContact CD2-CD1 4.07Å; L267-Y318 HydrophobicContact CD2-CE1 3.62Å; L267-Y318 HydrophobicContact CG-CD1 4.42Å; L267-Y318 HydrophobicContact CG-CE1 4.39Å; L267-Y318 WeakPolarHBondContact O-CA 3.38Å; L267-I319 PolarHBondContact O-N 3.06Å |
| 268 | V | 94.4 | Very high | 92.4 | Very high | 27 Ų | 27 | 46.9 Ų | 46.9 | 16% | 0.164 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 120.7 | 177.9 | -176 | 0 | 0 | 0 | 0 | 110.5 | V254 I258 V273 I319 D321 | V254-V268 HydrophobicContact CG1-CG1 4.35Å; V254-V268 HydrophobicContact CG1-CG2 3.75Å; I258-V268 HydrophobicContact CD1-CG2 3.39Å; V268-V273 HydrophobicContact CB-CG2 4.23Å; V268-V273 HydrophobicContact CG1-CG2 4.06Å; V268-I319 CarbonylContact C-O 3.5Å; V268-I319 WeakPolarHBondContact CA-O 3.47Å; V268-I319 HydrophobicContact CG2-CB 4.42Å; V268-D321 HydrophobicContact CG1-CB 4.22Å |
| 269 | L | 93.5 | Very high | 92.4 | Very high | 9 Ų | 9 | 44.6 Ų | 44.6 | 5% | 0.047 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 109.2 | 172.8 | -59 | 177.3 | 0 | 0 | 0 | 109 | L36 L267 F304 L308 A311 Y318 I319 D321 | L36-L269 HydrophobicContact CD1-CD2 3.86Å; L267-L269 HydrophobicContact CD2-CD2 4.16Å; L269-F304 HydrophobicContact CB-CD2 4.49Å; L269-F304 HydrophobicContact CB-CE2 3.96Å; L269-F304 WeakPolarHBondContact O-CE2 3.33Å; L269-L308 HydrophobicContact CB-CD2 4.46Å; L269-L308 HydrophobicContact CD1-CD2 3.68Å; L269-A311 HydrophobicContact CD1-CB 3.57Å; L269-Y318 HydrophobicContact CD1-CD1 3.75Å; L269-Y318 HydrophobicContact CD1-CE1 4.39Å; L269-Y318 HydrophobicContact CD1-CG 4.23Å; L269-Y318 HydrophobicContact CG-CD1 4.06Å; L269-I319 PolarHBondContact N-O 2.99Å; L269-D321 PolarHBondContact O-N 2.96Å |
| 270 | S | 90 | Very high | 92.5 | Very high | 6 Ų | 6 | 38.1 Ų | 38.1 | 4% | 0.042 | 19% | 0.193 | C | C | . | . | trans | -153.4 | 155.3 | 173.7 | 72.2 | 0 | 0 | 0 | 0 | 111.9 | S272 V273 V274 D321 | S270-S272 PolarHBondContact O-N 2.88Å; S270-S272 PolarHBondContact OG-N 3.03Å; S270-V273 PolarHBondContact O-N 3.41Å; S270-V273 VanDerWaalsContact O-N 3.14Å; S270-V273 WeakPolarHBondContact OG-CG2 3.48Å; S270-V273 PolarHBondContact OG-N 3.5Å; S270-V274 PolarHBondContact O-N 3.2Å; S270-V274 VanDerWaalsContact O-N 3.12Å; S270-D321 WeakPolarHBondContact CB-O 3.31Å | ||
| 271 | P | 87.6 | Confident | 92.4 | Very high | 8 Ų | 8 | 34.1 Ų | 34.1 | 5% | 0.052 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.3 | -28.5 | 170.2 | -26.1 | 35.4 | 0 | 0 | 0 | 113.4 | L275 F304 T325 | P271-L275 WeakPolarHBondContact O-CD1 3.29Å; P271-L275 VanDerWaalsContact O-CG 3.26Å; P271-L275 WeakPolarHBondContact O-CG 3.42Å; P271-L275 PolarHBondContact O-N 2.85Å; P271-F304 HydrophobicContact CG-CB 4.36Å; P271-F304 HydrophobicContact CG-CD1 4.21Å; P271-F304 HydrophobicContact CG-CG 4.13Å; P271-T325 HydrophobicContact CB-CG2 4.12Å; P271-T325 HydrophobicContact CG-CG2 4.45Å |
| 272 | S | 87.5 | Confident | 92.5 | Very high | 32 Ų | 32 | 34.2 Ų | 34.2 | 22% | 0.224 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -69.9 | -41 | 176.9 | -63.7 | 0 | 0 | 0 | 0 | 111.9 | S270 V274 L275 D276 K375 | S270-S272 PolarHBondContact O-N 2.88Å; S270-S272 PolarHBondContact OG-N 3.03Å; S272-V274 VanDerWaalsContact C-N 3.32Å; S272-V274 PolarHBondContact O-N 3.34Å; S272-L275 PolarHBondContact O-N 2.87Å; S272-D276 PolarHBondContact O-N 2.97Å; S272-K375 PolarHBondContact OG-NZ 2.81Å |
| 273 | V | 92 | Very high | 92.7 | Very high | 45 Ų | 45 | 34.1 Ų | 34.1 | 27% | 0.273 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -63.7 | -40.5 | 174.8 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | V268 S270 L275 D276 Q277 | V268-V273 HydrophobicContact CB-CG2 4.23Å; V268-V273 HydrophobicContact CG1-CG2 4.06Å; S270-V273 PolarHBondContact O-N 3.41Å; S270-V273 VanDerWaalsContact O-N 3.14Å; S270-V273 WeakPolarHBondContact OG-CG2 3.48Å; S270-V273 PolarHBondContact OG-N 3.5Å; V273-L275 VanDerWaalsContact C-N 3.34Å; V273-L275 PolarHBondContact O-N 2.86Å; V273-D276 PolarHBondContact O-N 2.78Å; V273-Q277 PolarHBondContact O-N 3.34Å |
| 274 | V | 93.7 | Very high | 92.8 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.012 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.7 | -44.4 | 174 | 172.7 | 0 | 0 | 0 | 0 | 111.5 | L59 S270 S272 D276 Q277 M278 A300 C303 F304 L307 | L59-V274 HydrophobicContact CD1-CG1 4.06Å; L59-V274 HydrophobicContact CD2-CG1 4.16Å; L59-V274 HydrophobicContact CG-CG1 4.35Å; S270-V274 PolarHBondContact O-N 3.2Å; S270-V274 VanDerWaalsContact O-N 3.12Å; S272-V274 VanDerWaalsContact C-N 3.32Å; S272-V274 PolarHBondContact O-N 3.34Å; V274-D276 VanDerWaalsContact C-N 3.3Å; V274-D276 PolarHBondContact O-N 3.12Å; V274-Q277 WeakPolarHBondContact O-CB 3.29Å; V274-Q277 PolarHBondContact O-N 3.02Å; V274-M278 HydrophobicContact CG1-CE 3.99Å; V274-M278 WeakPolarHBondContact O-CG 3.44Å; V274-M278 PolarHBondContact O-N 2.92Å; V274-M278 VanDerWaalsContact O-N 3.07Å; V274-A300 HydrophobicContact CB-CB 4.3Å; V274-A300 HydrophobicContact CG1-CB 3.72Å; V274-C303 HydrophobicContact CG1-CB 3.88Å; V274-F304 HydrophobicContact CG2-CB 4.11Å; V274-L307 HydrophobicContact CG2-CD1 3.54Å |
| 275 | L | 92.2 | Very high | 92.8 | Very high | 21 Ų | 21 | 28.1 Ų | 28.1 | 11% | 0.11 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64 | -34.8 | 176.2 | -71.5 | 163.3 | 0 | 0 | 0 | 112.8 | P271 S272 V273 M278 W293 V296 M297 A300 | P271-L275 WeakPolarHBondContact O-CD1 3.29Å; P271-L275 VanDerWaalsContact O-CG 3.26Å; P271-L275 WeakPolarHBondContact O-CG 3.42Å; P271-L275 PolarHBondContact O-N 2.85Å; S272-L275 PolarHBondContact O-N 2.87Å; V273-L275 VanDerWaalsContact C-N 3.34Å; V273-L275 PolarHBondContact O-N 2.86Å; L275-M278 HydrophobicContact CD2-SD 4.17Å; L275-M278 WeakPolarHBondContact O-CB 3.41Å; L275-M278 PolarHBondContact O-N 3.31Å; L275-W293 HydrophobicContact CD1-CZ2 4.47Å; L275-W293 HydrophobicContact CD2-CH2 3.95Å; L275-W293 HydrophobicContact CD2-CZ2 4.07Å; L275-V296 HydrophobicContact CD2-CG1 3.9Å; L275-M297 HydrophobicContact CD1-CE 3.72Å; L275-M297 HydrophobicContact CD1-SD 3.45Å; L275-M297 WeakPolarHBondContact CD1-SD 3.45Å; L275-M297 HydrophobicContact CD2-SD 4.17Å; L275-M297 HydrophobicContact CG-SD 4.44Å; L275-A300 HydrophobicContact CD2-CB 3.66Å; L275-A300 HydrophobicContact CG-CB 3.72Å |
| 276 | D | 92.8 | Very high | 92.7 | Very high | 83 Ų | 83 | 30.2 Ų | 30.2 | 44% | 0.444 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -68.8 | -37.4 | 175.3 | -67.1 | -21.8 | 0 | 0 | 0 | 111.1 | S272 V273 V274 M278 S279 | S272-D276 PolarHBondContact O-N 2.97Å; V273-D276 PolarHBondContact O-N 2.78Å; V274-D276 VanDerWaalsContact C-N 3.3Å; V274-D276 PolarHBondContact O-N 3.12Å; D276-M278 PolarHBondContact O-N 2.99Å; D276-S279 VanDerWaalsContact O-CB 3.25Å; D276-S279 WeakPolarHBondContact O-CB 3.42Å; D276-S279 PolarHBondContact O-N 2.82Å; D276-S279 VanDerWaalsContact O-N 3.1Å; D276-S279 PolarHBondContact O-OG 2.75Å |
| 277 | Q | 95.4 | Very high | 92.6 | Very high | 14 Ų | 14 | 37.1 Ų | 37.1 | 7% | 0.065 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.1 | -23.4 | 170.8 | -74.3 | -179.7 | -54.8 | 0 | 0 | 112.9 | L59 L60 V273 V274 S279 | L59-Q277 HydrophobicContact CB-CB 4.48Å; L59-Q277 HydrophobicContact CG-CB 4.18Å; L60-Q277 WeakPolarHBondContact CG-O 3.5Å; L60-Q277 PolarHBondContact N-O 3.31Å; V273-Q277 PolarHBondContact O-N 3.34Å; V274-Q277 WeakPolarHBondContact O-CB 3.29Å; V274-Q277 PolarHBondContact O-N 3.02Å; Q277-S279 PolarHBondContact O-N 2.79Å |
| 278 | M | 95 | Very high | 92.3 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | 3 | 172.5 | -66.3 | 177.6 | 176.4 | 0 | 0 | 113.4 | H58 L59 V274 L275 D276 R285 V296 T299 A300 | H58-M278 HydrophobicContact CB-CE 4.27Å; H58-M278 HydrophobicContact CB-CG 3.96Å; H58-M278 HydrophobicContact CB-SD 4.33Å; H58-M278 WeakPolarHBondContact O-CA 3.36Å; L59-M278 HydrophobicContact CD1-CE 3.5Å; L59-M278 VanDerWaalsContact CD1-CE 3.5Å; L59-M278 HydrophobicContact CD1-CG 3.79Å; L59-M278 HydrophobicContact CG-CG 4.43Å; V274-M278 HydrophobicContact CG1-CE 3.99Å; V274-M278 WeakPolarHBondContact O-CG 3.44Å; V274-M278 PolarHBondContact O-N 2.92Å; V274-M278 VanDerWaalsContact O-N 3.07Å; L275-M278 HydrophobicContact CD2-SD 4.17Å; L275-M278 WeakPolarHBondContact O-CB 3.41Å; L275-M278 PolarHBondContact O-N 3.31Å; D276-M278 PolarHBondContact O-N 2.99Å; M278-R285 HydrophobicContact CB-CB 4.22Å; M278-R285 HydrophobicContact CB-CG 4.48Å; M278-R285 PolarHBondContact O-NE 3.07Å; M278-R285 PolarHBondContact O-NH2 3.4Å; M278-V296 HydrophobicContact SD-CG1 3.96Å; M278-T299 HydrophobicContact CE-CG2 3.86Å; M278-A300 HydrophobicContact CE-CB 3.99Å; M278-A300 HydrophobicContact SD-CB 4.43Å |
| 279 | S | 94.8 | Very high | 92.1 | Very high | 5 Ų | 5 | 36.9 Ų | 36.9 | 4% | 0.035 | 19% | 0.193 | C | C | . | . | trans | -57 | 155.2 | 179 | 66.4 | 0 | 0 | 0 | 0 | 113.2 | R191 D276 Q277 I283 | R191-S279 PolarHBondContact NH2-O 2.91Å; D276-S279 VanDerWaalsContact O-CB 3.25Å; D276-S279 WeakPolarHBondContact O-CB 3.42Å; D276-S279 PolarHBondContact O-N 2.82Å; D276-S279 VanDerWaalsContact O-N 3.1Å; D276-S279 PolarHBondContact O-OG 2.75Å; Q277-S279 PolarHBondContact O-N 2.79Å; S279-I283 VanDerWaalsContact CA-O 3.31Å; S279-I283 WeakPolarHBondContact CA-O 3.45Å; S279-I283 VanDerWaalsContact CB-O 3.31Å; S279-I283 WeakPolarHBondContact CB-O 3.47Å | ||
| 280 | I | 94.3 | Very high | 91.7 | Very high | 7 Ų | 7 | 45.5 Ų | 45.5 | 4% | 0.036 | 23% | 0.233 | C | C | . | . | B | Isolated β-bridge | trans | -114.3 | 113.7 | 172.5 | -56.6 | 174 | 0 | 0 | 0 | 107.3 | V95 C96 G282 I283 R285 V288 | V95-I280 HydrophobicContact CG1-CG2 4.19Å; C96-I280 HydrophobicContact CB-CG2 3.9Å; I280-G282 VanDerWaalsContact C-N 3.26Å; I280-G282 PolarHBondContact O-N 3.13Å; I280-I283 PolarHBondContact N-O 2.74Å; I280-I283 WeakPolarHBondContact O-CB 3.37Å; I280-I283 PolarHBondContact O-N 3.18Å; I280-R285 VanDerWaalsContact CD1-CZ 3.45Å; I280-R285 VanDerWaalsContact CG1-NH2 3.3Å; I280-V288 HydrophobicContact CD1-CB 4.21Å; I280-V288 HydrophobicContact CD1-CG1 3.86Å; I280-V288 HydrophobicContact CD1-CG2 4.49Å |
| 281 | Q | 93.5 | Very high | 91.5 | Very high | 24 Ų | 24 | 47.5 Ų | 47.5 | 11% | 0.112 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | 48.6 | -179.9 | -52.7 | -160 | -58.2 | 0 | 0 | 112.8 | N126 F135 I283 | N126-Q281 PolarHBondContact ND2-NE2 3.43Å; N126-Q281 PolarHBondContact OD1-NE2 2.8Å; F135-Q281 HydrophobicContact CD1-CB 3.83Å; F135-Q281 HydrophobicContact CD1-CG 4.26Å; F135-Q281 HydrophobicContact CD2-CB 4.13Å; F135-Q281 WeakPolarHBondContact CD2-O 3.46Å; F135-Q281 HydrophobicContact CE1-CB 4.03Å; F135-Q281 HydrophobicContact CE1-CG 4.45Å; F135-Q281 HydrophobicContact CE2-CB 4.32Å; F135-Q281 VanDerWaalsContact CE2-O 3.25Å; F135-Q281 WeakPolarHBondContact CE2-O 3.41Å; F135-Q281 HydrophobicContact CG-CB 3.91Å; F135-Q281 HydrophobicContact CZ-CB 4.28Å; Q281-I283 PolarHBondContact O-N 2.95Å; Q281-I283 VanDerWaalsContact O-N 3.17Å |
| 282 | G | 93.6 | Very high | 91.5 | Very high | 11 Ų | 11 | 54.9 Ų | 54.9 | 11% | 0.113 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | -6.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | N133 I280 | N133-G282 PolarHBondContact ND2-O 2.83Å; N133-G282 WeakPolarHBondContact OD1-CA 3.33Å; I280-G282 VanDerWaalsContact C-N 3.26Å; I280-G282 PolarHBondContact O-N 3.13Å |
| 283 | I | 94.9 | Very high | 91.5 | Very high | 85 Ų | 85 | 56.9 Ų | 56.9 | 44% | 0.436 | 28% | 0.284 | S | S | . | . | B | Isolated β-bridge | trans | -87.9 | 124.3 | 177.2 | -54.4 | 177.1 | 0 | 0 | 0 | 108.8 | S279 I280 Q281 R285 K287 V288 | S279-I283 VanDerWaalsContact CA-O 3.31Å; S279-I283 WeakPolarHBondContact CA-O 3.45Å; S279-I283 VanDerWaalsContact CB-O 3.31Å; S279-I283 WeakPolarHBondContact CB-O 3.47Å; I280-I283 PolarHBondContact N-O 2.74Å; I280-I283 WeakPolarHBondContact O-CB 3.37Å; I280-I283 PolarHBondContact O-N 3.18Å; Q281-I283 PolarHBondContact O-N 2.95Å; Q281-I283 VanDerWaalsContact O-N 3.17Å; I283-R285 PolarHBondContact O-N 2.85Å; I283-K287 HydrophobicContact CG2-CB 3.98Å; I283-K287 HydrophobicContact CG2-CD 4.34Å; I283-V288 HydrophobicContact CB-CG2 4.13Å; I283-V288 HydrophobicContact CG2-CG2 3.58Å |
| 284 | P | 93 | Very high | 91.2 | Very high | 58 Ų | 58 | 57.9 Ų | 57.9 | 38% | 0.377 | 29% | 0.287 | S | S | . | . | trans | -55.6 | 133.5 | 176.1 | -26.3 | 34.2 | 0 | 0 | 0 | 111.7 | K286 K287 | P284-K286 PolarHBondContact O-N 3.1Å; P284-K287 WeakPolarHBondContact O-CB 3.36Å; P284-K287 PolarHBondContact O-N 3.16Å | ||
| 285 | R | 91.8 | Very high | 90.9 | Very high | 3 Ų | 3 | 60.7 Ų | 60.7 | 1% | 0.011 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -50.5 | -38.3 | -177 | -175.2 | 62.2 | 62 | 164.8 | 1.4 | 112.8 | E93 M278 I280 I283 K287 V288 H289 W293 V296 | E93-R285 IonicContact OE2-CZ 3.47Å; E93-R285 IonicContact OE2-NH1 2.64Å; E93-R285 PolarHBondContact OE2-NH1 2.96Å; M278-R285 HydrophobicContact CB-CB 4.22Å; M278-R285 HydrophobicContact CB-CG 4.48Å; M278-R285 PolarHBondContact O-NE 3.07Å; M278-R285 PolarHBondContact O-NH2 3.4Å; I280-R285 VanDerWaalsContact CD1-CZ 3.45Å; I280-R285 VanDerWaalsContact CG1-NH2 3.3Å; I283-R285 PolarHBondContact O-N 2.85Å; R285-K287 PolarHBondContact O-N 2.88Å; R285-K287 VanDerWaalsContact O-N 3.09Å; R285-V288 PolarHBondContact O-N 3.33Å; R285-H289 HydrophobicContact CG-CB 4.36Å; R285-H289 WeakPolarHBondContact O-CB 3.31Å; R285-H289 PolarHBondContact O-N 3.19Å; R285-W293 HydrophobicContact CB-CZ3 4.41Å; R285-W293 HydrophobicContact CG-CZ3 4.2Å; R285-V296 HydrophobicContact CG-CG1 4.18Å |
| 286 | K | 89.2 | Confident | 90.9 | Very high | 122 Ų | 122 | 59.7 Ų | 59.7 | 53% | 0.53 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -54 | -29.6 | 177.7 | -169.4 | 177.2 | 178.5 | -177 | 0 | 114.2 | P284 W293 | P284-K286 PolarHBondContact O-N 3.1Å; K286-W293 HydrophobicContact CB-CE3 4.33Å; K286-W293 HydrophobicContact CB-CH2 3.57Å; K286-W293 HydrophobicContact CB-CZ2 3.92Å; K286-W293 HydrophobicContact CB-CZ3 3.79Å; K286-W293 HydrophobicContact CD-CZ2 4.31Å; K286-W293 HydrophobicContact CG-CD2 4.29Å; K286-W293 HydrophobicContact CG-CE3 4.31Å; K286-W293 HydrophobicContact CG-CH2 4.18Å; K286-W293 HydrophobicContact CG-CZ2 4.13Å; K286-W293 HydrophobicContact CG-CZ3 4.26Å |
| 287 | K | 90.9 | Very high | 90.6 | Very high | 170 Ų | 170 | 57.5 Ų | 57.5 | 74% | 0.739 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -83.3 | -22 | 179.9 | -66.3 | -172.9 | 178.1 | -179.2 | 0 | 113.2 | I283 P284 R285 | I283-K287 HydrophobicContact CG2-CB 3.98Å; I283-K287 HydrophobicContact CG2-CD 4.34Å; P284-K287 WeakPolarHBondContact O-CB 3.36Å; P284-K287 PolarHBondContact O-N 3.16Å; R285-K287 PolarHBondContact O-N 2.88Å; R285-K287 VanDerWaalsContact O-N 3.09Å |
| 288 | V | 88.9 | Confident | 90.2 | Very high | 45 Ų | 45 | 57.5 Ų | 57.5 | 27% | 0.273 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -101.6 | -33.1 | -176 | -168.9 | 0 | 0 | 0 | 0 | 111 | I280 I283 R285 Q290 | I280-V288 HydrophobicContact CD1-CB 4.21Å; I280-V288 HydrophobicContact CD1-CG1 3.86Å; I280-V288 HydrophobicContact CD1-CG2 4.49Å; I283-V288 HydrophobicContact CB-CG2 4.13Å; I283-V288 HydrophobicContact CG2-CG2 3.58Å; R285-V288 PolarHBondContact O-N 3.33Å; V288-Q290 PolarHBondContact O-N 3.44Å |
| 289 | H | 88.5 | Confident | 90 | Very high | 25 Ų | 25 | 57.6 Ų | 57.6 | 12% | 0.116 | 29% | 0.288 | C | S | . | . | trans | -65.4 | 122.1 | -175.9 | -170.8 | 75.1 | 0 | 0 | 0 | 112.5 | F91 E93 R285 G291 R292 W293 V296 | F91-H289 AromaticContact CD2-CE1 3.65Å; F91-H289 AromaticContact CD2-ND1 3.93Å; F91-H289 AromaticContact CE2-CE1 3.97Å; F91-H289 AromaticContact CE2-ND1 3.93Å; E93-H289 VanDerWaalsContact OE1-CA 3.24Å; E93-H289 WeakPolarHBondContact OE1-CA 3.25Å; E93-H289 IonicContact OE1-CG 3.2Å; E93-H289 IonicContact OE1-ND1 2.78Å; E93-H289 PolarHBondContact OE1-ND1 3.46Å; R285-H289 HydrophobicContact CG-CB 4.36Å; R285-H289 WeakPolarHBondContact O-CB 3.31Å; R285-H289 PolarHBondContact O-N 3.19Å; H289-G291 PolarHBondContact CD2-N 3.24Å; H289-G291 PolarHBondContact CD2-O 3.17Å; H289-G291 VanDerWaalsContact CD2-O 3.23Å; H289-G291 VanDerWaalsContact NE2-CA 3.35Å; H289-G291 WeakPolarHBondContact NE2-CA 3.44Å; H289-G291 PolarHBondContact NE2-N 2.76Å; H289-G291 PolarHBondContact NE2-O 2.9Å; H289-R292 PolarHBondContact NE2-O 3.36Å; H289-W293 HydrophobicContact CB-CE3 4.42Å; H289-W293 HydrophobicContact CB-CZ3 4.44Å; H289-V296 VanDerWaalsContact CE1-CG2 3.49Å; H289-V296 WeakPolarHBondContact CE1-CG2 3.42Å; H289-V296 VanDerWaalsContact NE2-CG2 3.35Å; H289-V296 WeakPolarHBondContact NE2-CG2 3.29Å | ||
| 290 | Q | 85.7 | Confident | 89.9 | Confident | 190 Ų | 190 | 57.3 Ų | 57.3 | 89% | 0.888 | 29% | 0.286 | S | S | * | . | trans | -96.6 | -13.2 | 179.8 | -60.9 | -173.8 | 2.8 | 0 | 0 | 113.3 | V288 | V288-Q290 PolarHBondContact O-N 3.44Š| ||
| 291 | G | 86.9 | Confident | 89.5 | Confident | 47 Ų | 47 | 57.3 Ų | 57.3 | 49% | 0.485 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -90.3 | -164 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | H289 W293 | H289-G291 PolarHBondContact CD2-N 3.24Å; H289-G291 PolarHBondContact CD2-O 3.17Å; H289-G291 VanDerWaalsContact CD2-O 3.23Å; H289-G291 VanDerWaalsContact NE2-CA 3.35Å; H289-G291 WeakPolarHBondContact NE2-CA 3.44Å; H289-G291 PolarHBondContact NE2-N 2.76Å; H289-G291 PolarHBondContact NE2-O 2.9Å; G291-W293 PolarHBondContact O-N 3.1Å; G291-W293 VanDerWaalsContact O-N 3.15Å |
| 292 | R | 87.5 | Confident | 89.3 | Confident | 163 Ų | 163 | 61.7 Ų | 61.7 | 62% | 0.615 | 31% | 0.306 | S | S | * | . | trans | -63 | 112.4 | 174.3 | -86.8 | -174.4 | 69.3 | 169.1 | 2.9 | 111.3 | H289 D294 I295 | H289-R292 PolarHBondContact NE2-O 3.36Å; R292-D294 VanDerWaalsContact C-N 3.26Å; R292-D294 VanDerWaalsContact CB-OD1 3.25Å; R292-D294 WeakPolarHBondContact CB-OD1 3.3Å; R292-D294 IonicContact CZ-OD1 3.7Å; R292-D294 IonicContact CZ-OD2 3.01Å; R292-D294 VanDerWaalsContact CZ-OD2 3.27Å; R292-D294 IonicContact NE-OD1 3.79Å; R292-D294 PolarHBondContact NE-OD1 3.04Å; R292-D294 IonicContact NE-OD2 2.63Å; R292-D294 PolarHBondContact NE-OD2 2.74Å; R292-D294 IonicContact NH2-OD1 3.89Å; R292-D294 IonicContact NH2-OD2 3.83Å; R292-D294 PolarHBondContact NH2-OD2 2.65Å; R292-D294 PolarHBondContact O-N 3.22Å; R292-I295 HydrophobicContact CB-CB 4.5Å; R292-I295 HydrophobicContact CB-CD1 3.76Å; R292-I295 HydrophobicContact CB-CG1 3.87Å; R292-I295 PolarHBondContact O-N 2.98Å | ||
| 293 | W | 87.4 | Confident | 89.2 | Confident | 75 Ų | 75 | 61.3 Ų | 61.3 | 28% | 0.284 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.3 | -29.6 | -179.7 | -177.7 | -110.9 | 0 | 0 | 0 | 112.8 | L275 R285 K286 H289 G291 I295 V296 M297 | L275-W293 HydrophobicContact CD1-CZ2 4.47Å; L275-W293 HydrophobicContact CD2-CH2 3.95Å; L275-W293 HydrophobicContact CD2-CZ2 4.07Å; R285-W293 HydrophobicContact CB-CZ3 4.41Å; R285-W293 HydrophobicContact CG-CZ3 4.2Å; K286-W293 HydrophobicContact CB-CE3 4.33Å; K286-W293 HydrophobicContact CB-CH2 3.57Å; K286-W293 HydrophobicContact CB-CZ2 3.92Å; K286-W293 HydrophobicContact CB-CZ3 3.79Å; K286-W293 HydrophobicContact CD-CZ2 4.31Å; K286-W293 HydrophobicContact CG-CD2 4.29Å; K286-W293 HydrophobicContact CG-CE3 4.31Å; K286-W293 HydrophobicContact CG-CH2 4.18Å; K286-W293 HydrophobicContact CG-CZ2 4.13Å; K286-W293 HydrophobicContact CG-CZ3 4.26Å; H289-W293 HydrophobicContact CB-CE3 4.42Å; H289-W293 HydrophobicContact CB-CZ3 4.44Å; G291-W293 PolarHBondContact O-N 3.1Å; G291-W293 VanDerWaalsContact O-N 3.15Å; W293-I295 VanDerWaalsContact C-N 3.25Å; W293-I295 PolarHBondContact O-N 3.11Å; W293-V296 HydrophobicContact CD2-CB 4.49Å; W293-V296 HydrophobicContact CE3-CB 3.94Å; W293-V296 HydrophobicContact CE3-CG1 4.25Å; W293-V296 HydrophobicContact CE3-CG2 3.93Å; W293-V296 HydrophobicContact CH2-CB 4.5Å; W293-V296 HydrophobicContact CH2-CG1 4.03Å; W293-V296 HydrophobicContact CZ3-CB 3.93Å; W293-V296 HydrophobicContact CZ3-CG1 3.71Å; W293-V296 HydrophobicContact CZ3-CG2 4.11Å; W293-V296 WeakPolarHBondContact O-CB 3.32Å; W293-V296 PolarHBondContact O-N 3.03Å; W293-V296 VanDerWaalsContact O-N 3.17Å; W293-M297 HydrophobicContact CG-CG 4.44Å; W293-M297 HydrophobicContact CZ2-SD 3.76Å; W293-M297 PolarHBondContact NE1-SD 3.29Å; W293-M297 WeakPolarHBondContact O-CG 3.44Å; W293-M297 PolarHBondContact O-N 3.26Å |
| 294 | D | 84.5 | Confident | 89 | Confident | 66 Ų | 66 | 57.5 Ų | 57.5 | 35% | 0.353 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.4 | -29.4 | 177.6 | 61.8 | -65.5 | 0 | 0 | 0 | 112.8 | R292 M297 G298 | R292-D294 VanDerWaalsContact C-N 3.26Å; R292-D294 VanDerWaalsContact CB-OD1 3.25Å; R292-D294 WeakPolarHBondContact CB-OD1 3.3Å; R292-D294 IonicContact CZ-OD1 3.7Å; R292-D294 IonicContact CZ-OD2 3.01Å; R292-D294 VanDerWaalsContact CZ-OD2 3.27Å; R292-D294 IonicContact NE-OD1 3.79Å; R292-D294 PolarHBondContact NE-OD1 3.04Å; R292-D294 IonicContact NE-OD2 2.63Å; R292-D294 PolarHBondContact NE-OD2 2.74Å; R292-D294 IonicContact NH2-OD1 3.89Å; R292-D294 IonicContact NH2-OD2 3.83Å; R292-D294 PolarHBondContact NH2-OD2 2.65Å; R292-D294 PolarHBondContact O-N 3.22Å; D294-M297 PolarHBondContact O-N 3.41Å; D294-G298 PolarHBondContact O-N 2.96Å |
| 295 | I | 89 | Confident | 88.8 | Confident | 60 Ų | 60 | 56.5 Ų | 56.5 | 31% | 0.308 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.6 | -44.5 | 172.5 | -61.2 | 178.4 | 0 | 0 | 0 | 110.4 | D90 F91 R292 W293 M297 G298 T299 | D90-I295 HydrophobicContact CB-CG2 3.81Å; F91-I295 HydrophobicContact CD1-CG2 3.94Å; R292-I295 HydrophobicContact CB-CB 4.5Å; R292-I295 HydrophobicContact CB-CD1 3.76Å; R292-I295 HydrophobicContact CB-CG1 3.87Å; R292-I295 PolarHBondContact O-N 2.98Å; W293-I295 VanDerWaalsContact C-N 3.25Å; W293-I295 PolarHBondContact O-N 3.11Å; I295-M297 VanDerWaalsContact C-N 3.34Å; I295-M297 PolarHBondContact O-N 2.99Å; I295-G298 PolarHBondContact O-N 3.41Å; I295-T299 WeakPolarHBondContact O-CB 3.3Å; I295-T299 PolarHBondContact O-N 2.94Å; I295-T299 PolarHBondContact O-OG1 3.09Å |
| 296 | V | 90.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 176.1 | -170.9 | 0 | 0 | 0 | 0 | 110.4 | F91 L275 M278 R285 H289 W293 G298 T299 A300 | F91-V296 HydrophobicContact CE1-CB 4.32Å; F91-V296 HydrophobicContact CE1-CG1 4.43Å; F91-V296 HydrophobicContact CE1-CG2 4.01Å; F91-V296 HydrophobicContact CE2-CG2 4.1Å; F91-V296 HydrophobicContact CZ-CB 4.21Å; F91-V296 HydrophobicContact CZ-CG1 3.96Å; F91-V296 HydrophobicContact CZ-CG2 3.77Å; L275-V296 HydrophobicContact CD2-CG1 3.9Å; M278-V296 HydrophobicContact SD-CG1 3.96Å; R285-V296 HydrophobicContact CG-CG1 4.18Å; H289-V296 VanDerWaalsContact CE1-CG2 3.49Å; H289-V296 WeakPolarHBondContact CE1-CG2 3.42Å; H289-V296 VanDerWaalsContact NE2-CG2 3.35Å; H289-V296 WeakPolarHBondContact NE2-CG2 3.29Å; W293-V296 HydrophobicContact CD2-CB 4.49Å; W293-V296 HydrophobicContact CE3-CB 3.94Å; W293-V296 HydrophobicContact CE3-CG1 4.25Å; W293-V296 HydrophobicContact CE3-CG2 3.93Å; W293-V296 HydrophobicContact CH2-CB 4.5Å; W293-V296 HydrophobicContact CH2-CG1 4.03Å; W293-V296 HydrophobicContact CZ3-CB 3.93Å; W293-V296 HydrophobicContact CZ3-CG1 3.71Å; W293-V296 HydrophobicContact CZ3-CG2 4.11Å; W293-V296 WeakPolarHBondContact O-CB 3.32Å; W293-V296 PolarHBondContact O-N 3.03Å; W293-V296 VanDerWaalsContact O-N 3.17Å; V296-G298 VanDerWaalsContact C-N 3.35Å; V296-G298 PolarHBondContact O-N 3.28Å; V296-T299 WeakPolarHBondContact O-CB 3.4Å; V296-T299 PolarHBondContact O-N 3.42Å; V296-A300 WeakPolarHBondContact O-CB 3.43Å; V296-A300 PolarHBondContact O-N 3.37Å |
| 297 | M | 87.5 | Confident | 88.8 | Confident | 38 Ų | 38 | 53.1 Ų | 53.1 | 19% | 0.187 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 175.7 | -66.8 | -62.5 | -50.2 | 0 | 0 | 111.7 | L275 W293 D294 I295 T299 A300 A301 T325 | L275-M297 HydrophobicContact CD1-CE 3.72Å; L275-M297 HydrophobicContact CD1-SD 3.45Å; L275-M297 WeakPolarHBondContact CD1-SD 3.45Å; L275-M297 HydrophobicContact CD2-SD 4.17Å; L275-M297 HydrophobicContact CG-SD 4.44Å; W293-M297 HydrophobicContact CG-CG 4.44Å; W293-M297 HydrophobicContact CZ2-SD 3.76Å; W293-M297 PolarHBondContact NE1-SD 3.29Å; W293-M297 WeakPolarHBondContact O-CG 3.44Å; W293-M297 PolarHBondContact O-N 3.26Å; D294-M297 PolarHBondContact O-N 3.41Å; I295-M297 VanDerWaalsContact C-N 3.34Å; I295-M297 PolarHBondContact O-N 2.99Å; M297-T299 VanDerWaalsContact C-N 3.34Å; M297-A300 PolarHBondContact O-N 3.27Å; M297-A301 PolarHBondContact O-N 3.19Å; M297-T325 HydrophobicContact CE-CG2 3.9Å; M297-T325 WeakPolarHBondContact O-CG2 3.49Å |
| 298 | G | 87.5 | Confident | 88.8 | Confident | 14 Ų | 14 | 45.5 Ų | 45.5 | 14% | 0.144 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.7 | -43.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D294 I295 V296 A301 K302 | D294-G298 PolarHBondContact O-N 2.96Å; I295-G298 PolarHBondContact O-N 3.41Å; V296-G298 VanDerWaalsContact C-N 3.35Å; V296-G298 PolarHBondContact O-N 3.28Å; G298-A301 VanDerWaalsContact O-CB 3.31Å; G298-A301 WeakPolarHBondContact O-CB 3.42Å; G298-A301 PolarHBondContact O-N 3.37Å; G298-K302 WeakPolarHBondContact O-CG 3.45Å; G298-K302 PolarHBondContact O-N 3.32Å; G298-K302 VanDerWaalsContact O-N 3.08Å |
| 299 | T | 91 | Very high | 88.8 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.5 | -48.7 | 175.9 | -55 | 0 | 0 | 0 | 0 | 111.1 | D90 F91 M278 I295 V296 M297 A301 K302 C303 | D90-T299 PolarHBondContact OD2-OG1 3.2Å; F91-T299 HydrophobicContact CE1-CG2 4.24Å; M278-T299 HydrophobicContact CE-CG2 3.86Å; I295-T299 WeakPolarHBondContact O-CB 3.3Å; I295-T299 PolarHBondContact O-N 2.94Å; I295-T299 PolarHBondContact O-OG1 3.09Å; V296-T299 WeakPolarHBondContact O-CB 3.4Å; V296-T299 PolarHBondContact O-N 3.42Å; M297-T299 VanDerWaalsContact C-N 3.34Å; T299-A301 VanDerWaalsContact C-N 3.26Å; T299-A301 PolarHBondContact O-N 3.13Å; T299-K302 PolarHBondContact O-N 3.05Å; T299-K302 VanDerWaalsContact O-N 3.16Å; T299-C303 PolarHBondContact O-N 3.16Å; T299-C303 PolarHBondContact O-SG 2.78Å; T299-C303 VanDerWaalsContact O-SG 3.37Å |
| 300 | A | 91.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.4 | -34.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V274 L275 M278 V296 M297 F304 | V274-A300 HydrophobicContact CB-CB 4.3Å; V274-A300 HydrophobicContact CG1-CB 3.72Å; L275-A300 HydrophobicContact CD2-CB 3.66Å; L275-A300 HydrophobicContact CG-CB 3.72Å; M278-A300 HydrophobicContact CE-CB 3.99Å; M278-A300 HydrophobicContact SD-CB 4.43Å; V296-A300 WeakPolarHBondContact O-CB 3.43Å; V296-A300 PolarHBondContact O-N 3.37Å; M297-A300 PolarHBondContact O-N 3.27Å; A300-F304 WeakPolarHBondContact O-CB 3.47Å; A300-F304 PolarHBondContact O-N 3.21Å |
| 301 | A | 87.1 | Confident | 89.3 | Confident | 7 Ų | 7 | 35.6 Ų | 35.6 | 6% | 0.058 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.8 | -46.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | M297 G298 T299 F304 L305 T325 | M297-A301 PolarHBondContact O-N 3.19Å; G298-A301 VanDerWaalsContact O-CB 3.31Å; G298-A301 WeakPolarHBondContact O-CB 3.42Å; G298-A301 PolarHBondContact O-N 3.37Å; T299-A301 VanDerWaalsContact C-N 3.26Å; T299-A301 PolarHBondContact O-N 3.13Å; A301-F304 WeakPolarHBondContact O-CB 3.49Å; A301-F304 PolarHBondContact O-N 3.34Å; A301-L305 WeakPolarHBondContact O-CG 3.46Å; A301-L305 PolarHBondContact O-N 2.95Å; A301-T325 HydrophobicContact CB-CG2 3.7Å; A301-T325 WeakPolarHBondContact CB-OG1 3.37Å |
| 302 | K | 88.9 | Confident | 89.5 | Confident | 116 Ų | 116 | 34.1 Ų | 34.1 | 50% | 0.504 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -61.1 | -48.6 | 177.5 | -65.3 | 173.2 | -171.7 | 172 | 0 | 110.4 | D90 G298 T299 F304 L305 K306 | D90-K302 IonicContact OD1-NZ 3.28Å; D90-K302 PolarHBondContact OD1-NZ 3.19Å; D90-K302 IonicContact OD2-NZ 2.99Å; D90-K302 PolarHBondContact OD2-NZ 3.32Å; G298-K302 WeakPolarHBondContact O-CG 3.45Å; G298-K302 PolarHBondContact O-N 3.32Å; G298-K302 VanDerWaalsContact O-N 3.08Å; T299-K302 PolarHBondContact O-N 3.05Å; T299-K302 VanDerWaalsContact O-N 3.16Å; K302-F304 VanDerWaalsContact C-N 3.32Å; K302-F304 PolarHBondContact O-N 3.37Å; K302-L305 PolarHBondContact O-N 3.28Å; K302-L305 VanDerWaalsContact O-N 3.13Å; K302-K306 PolarHBondContact O-N 3.37Å |
| 303 | C | 91.7 | Very high | 89.5 | Confident | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.014 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.3 | -40.4 | 177 | -63.7 | 0 | 0 | 0 | 0 | 112.3 | G55 F56 L59 V274 T299 L305 K306 L307 | G55-C303 WeakPolarHBondContact CA-SG 3.43Å; F56-C303 HydrophobicContact CE1-CB 4.49Å; L59-C303 HydrophobicContact CD1-CB 4.33Å; L59-C303 HydrophobicContact CD2-CB 4.29Å; V274-C303 HydrophobicContact CG1-CB 3.88Å; T299-C303 PolarHBondContact O-N 3.16Å; T299-C303 PolarHBondContact O-SG 2.78Å; T299-C303 VanDerWaalsContact O-SG 3.37Å; C303-L305 VanDerWaalsContact C-N 3.27Å; C303-L305 PolarHBondContact O-N 3.34Å; C303-K306 PolarHBondContact O-N 3.16Å; C303-L307 WeakPolarHBondContact O-CB 3.39Å; C303-L307 VanDerWaalsContact O-CG 3.29Å; C303-L307 WeakPolarHBondContact O-CG 3.48Å; C303-L307 PolarHBondContact O-N 2.89Å |
| 304 | F | 91.2 | Very high | 89.6 | Confident | 5 Ų | 5 | 29.2 Ų | 29.2 | 2% | 0.022 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.1 | -38.9 | 176 | 162.8 | -103.5 | 0 | 0 | 0 | 112.6 | L269 P271 V274 A300 A301 K302 L307 L308 I320 | L269-F304 HydrophobicContact CB-CD2 4.49Å; L269-F304 HydrophobicContact CB-CE2 3.96Å; L269-F304 WeakPolarHBondContact O-CE2 3.33Å; P271-F304 HydrophobicContact CG-CB 4.36Å; P271-F304 HydrophobicContact CG-CD1 4.21Å; P271-F304 HydrophobicContact CG-CG 4.13Å; V274-F304 HydrophobicContact CG2-CB 4.11Å; A300-F304 WeakPolarHBondContact O-CB 3.47Å; A300-F304 PolarHBondContact O-N 3.21Å; A301-F304 WeakPolarHBondContact O-CB 3.49Å; A301-F304 PolarHBondContact O-N 3.34Å; K302-F304 VanDerWaalsContact C-N 3.32Å; K302-F304 PolarHBondContact O-N 3.37Å; F304-L307 PolarHBondContact O-N 2.97Å; F304-L308 HydrophobicContact CD1-CD1 4.34Å; F304-L308 HydrophobicContact CE1-CD1 3.64Å; F304-L308 HydrophobicContact CE2-CD1 4.03Å; F304-L308 HydrophobicContact CE2-CD2 4.44Å; F304-L308 HydrophobicContact CE2-CG 4.08Å; F304-L308 HydrophobicContact CZ-CD1 3.47Å; F304-L308 VanDerWaalsContact CZ-CD1 3.47Å; F304-L308 HydrophobicContact CZ-CD2 4.44Å; F304-L308 HydrophobicContact CZ-CG 4.03Å; F304-L308 PolarHBondContact O-N 2.85Å; F304-I320 HydrophobicContact CZ-CG2 4.16Å |
| 305 | L | 88 | Confident | 90 | Very high | 38 Ų | 38 | 28.6 Ų | 28.6 | 20% | 0.199 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.9 | -44 | 177.5 | -65.7 | 169.3 | 0 | 0 | 0 | 111.9 | A301 K302 C303 L307 L308 Q309 Q330 | A301-L305 WeakPolarHBondContact O-CG 3.46Å; A301-L305 PolarHBondContact O-N 2.95Å; K302-L305 PolarHBondContact O-N 3.28Å; K302-L305 VanDerWaalsContact O-N 3.13Å; C303-L305 VanDerWaalsContact C-N 3.27Å; C303-L305 PolarHBondContact O-N 3.34Å; L305-L307 VanDerWaalsContact C-N 3.33Å; L305-L307 PolarHBondContact O-N 2.88Å; L305-L308 HydrophobicContact CD2-CD1 4.47Å; L305-L308 WeakPolarHBondContact O-CB 3.42Å; L305-L308 PolarHBondContact O-N 3.12Å; L305-L308 VanDerWaalsContact O-N 3.17Å; L305-Q309 PolarHBondContact O-N 3.43Å; L305-Q330 VanDerWaalsContact CD1-NE2 3.31Å |
| 306 | K | 89.4 | Confident | 90.2 | Very high | 45 Ų | 45 | 26.5 Ų | 26.5 | 20% | 0.196 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63 | -40 | 174.5 | -68.8 | -165.3 | 170.8 | -157.1 | 0 | 111.5 | E9 F56 K302 C303 L308 Q309 L310 | E9-K306 VanDerWaalsContact CD-NZ 3.26Å; E9-K306 IonicContact OE1-NZ 3.48Å; E9-K306 PolarHBondContact OE1-NZ 3.3Å; E9-K306 IonicContact OE2-NZ 3.11Å; E9-K306 PolarHBondContact OE2-NZ 3.46Å; F56-K306 HydrophobicContact CD2-CD 4.3Å; F56-K306 HydrophobicContact CE2-CB 3.47Å; F56-K306 VanDerWaalsContact CE2-CB 3.47Å; F56-K306 HydrophobicContact CE2-CD 3.61Å; F56-K306 HydrophobicContact CE2-CG 4.11Å; F56-K306 HydrophobicContact CZ-CB 3.63Å; K302-K306 PolarHBondContact O-N 3.37Å; C303-K306 PolarHBondContact O-N 3.16Å; K306-L308 VanDerWaalsContact C-N 3.29Å; K306-L308 PolarHBondContact O-N 2.85Å; K306-Q309 WeakPolarHBondContact O-CB 3.4Å; K306-Q309 PolarHBondContact O-N 3.12Å; K306-Q309 VanDerWaalsContact O-N 3.07Å; K306-L310 WeakPolarHBondContact O-CG 3.33Å; K306-L310 PolarHBondContact O-N 3.24Å |
| 307 | L | 92.2 | Very high | 90.5 | Very high | 8 Ų | 8 | 27.4 Ų | 27.4 | 4% | 0.042 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.6 | -33.5 | 173.6 | -74.1 | 169.8 | 0 | 0 | 0 | 113.1 | L36 N37 F56 L59 V274 C303 F304 L305 Q309 L310 A311 | L36-L307 HydrophobicContact CB-CD2 3.75Å; L36-L307 HydrophobicContact CD1-CD2 4.3Å; N37-L307 HydrophobicContact CB-CD2 4.27Å; F56-L307 HydrophobicContact CE1-CD2 3.87Å; F56-L307 HydrophobicContact CE1-CG 3.9Å; F56-L307 HydrophobicContact CZ-CD2 4.3Å; F56-L307 HydrophobicContact CZ-CG 4.08Å; L59-L307 HydrophobicContact CD2-CD1 4.31Å; V274-L307 HydrophobicContact CG2-CD1 3.54Å; C303-L307 WeakPolarHBondContact O-CB 3.39Å; C303-L307 VanDerWaalsContact O-CG 3.29Å; C303-L307 WeakPolarHBondContact O-CG 3.48Å; C303-L307 PolarHBondContact O-N 2.89Å; F304-L307 PolarHBondContact O-N 2.97Å; L305-L307 VanDerWaalsContact C-N 3.33Å; L305-L307 PolarHBondContact O-N 2.88Å; L307-Q309 VanDerWaalsContact C-N 3.33Å; L307-L310 HydrophobicContact CD2-CD1 4.38Å; L307-L310 PolarHBondContact O-N 3.07Å; L307-A311 VanDerWaalsContact O-CB 3.25Å; L307-A311 WeakPolarHBondContact O-CB 3.19Å; L307-A311 PolarHBondContact O-N 3.18Å |
| 308 | L | 91 | Very high | 90.9 | Very high | 10 Ų | 10 | 25.6 Ų | 25.6 | 5% | 0.052 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.6 | -38 | 172.9 | -79 | 168.6 | 0 | 0 | 0 | 112.1 | L269 F304 L305 K306 L310 A311 C312 I320 K341 F345 | L269-L308 HydrophobicContact CB-CD2 4.46Å; L269-L308 HydrophobicContact CD1-CD2 3.68Å; F304-L308 HydrophobicContact CD1-CD1 4.34Å; F304-L308 HydrophobicContact CE1-CD1 3.64Å; F304-L308 HydrophobicContact CE2-CD1 4.03Å; F304-L308 HydrophobicContact CE2-CD2 4.44Å; F304-L308 HydrophobicContact CE2-CG 4.08Å; F304-L308 HydrophobicContact CZ-CD1 3.47Å; F304-L308 VanDerWaalsContact CZ-CD1 3.47Å; F304-L308 HydrophobicContact CZ-CD2 4.44Å; F304-L308 HydrophobicContact CZ-CG 4.03Å; F304-L308 PolarHBondContact O-N 2.85Å; L305-L308 HydrophobicContact CD2-CD1 4.47Å; L305-L308 WeakPolarHBondContact O-CB 3.42Å; L305-L308 PolarHBondContact O-N 3.12Å; L305-L308 VanDerWaalsContact O-N 3.17Å; K306-L308 VanDerWaalsContact C-N 3.29Å; K306-L308 PolarHBondContact O-N 2.85Å; L308-L310 VanDerWaalsContact C-N 3.33Å; L308-A311 PolarHBondContact O-N 3.14Å; L308-C312 PolarHBondContact O-N 3.24Å; L308-I320 HydrophobicContact CD2-CD1 3.77Å; L308-I320 HydrophobicContact CD2-CG1 4.01Å; L308-I320 HydrophobicContact CD2-CG2 4.37Å; L308-K341 HydrophobicContact CD1-CD 4.22Å; L308-K341 HydrophobicContact CD1-CG 4.1Å; L308-F345 HydrophobicContact CD2-CE2 4.08Å; L308-F345 HydrophobicContact CD2-CZ 4.24Å |
| 309 | Q | 88.5 | Confident | 91.3 | Very high | 38 Ų | 38 | 24.9 Ų | 24.9 | 18% | 0.178 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -69.2 | -31.4 | 176.2 | -65.5 | 165.6 | -32.1 | 0 | 0 | 112.2 | E6 L305 K306 L307 C312 R313 | E6-Q309 PolarHBondContact OE2-NE2 3.21Å; L305-Q309 PolarHBondContact O-N 3.43Å; K306-Q309 WeakPolarHBondContact O-CB 3.4Å; K306-Q309 PolarHBondContact O-N 3.12Å; K306-Q309 VanDerWaalsContact O-N 3.07Å; L307-Q309 VanDerWaalsContact C-N 3.33Å; Q309-C312 PolarHBondContact O-SG 3.07Å; Q309-R313 PolarHBondContact O-NH1 3.43Å |
| 310 | L | 90.6 | Very high | 91.5 | Very high | 14 Ų | 14 | 24.9 Ų | 24.9 | 7% | 0.073 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -74.8 | -40.7 | 173.4 | -65 | 169.8 | 0 | 0 | 0 | 111.2 | L13 L36 Y51 F56 K306 L307 L308 C312 R313 | L13-L310 HydrophobicContact CD1-CD2 3.75Å; L13-L310 HydrophobicContact CD2-CD2 3.85Å; L36-L310 HydrophobicContact CB-CB 4.27Å; Y51-L310 HydrophobicContact CD2-CD1 4.09Å; Y51-L310 HydrophobicContact CE2-CD1 3.61Å; Y51-L310 HydrophobicContact CE2-CD2 4.23Å; F56-L310 HydrophobicContact CZ-CD1 4.41Å; K306-L310 WeakPolarHBondContact O-CG 3.33Å; K306-L310 PolarHBondContact O-N 3.24Å; L307-L310 HydrophobicContact CD2-CD1 4.38Å; L307-L310 PolarHBondContact O-N 3.07Å; L308-L310 VanDerWaalsContact C-N 3.33Å; L310-C312 PolarHBondContact O-N 3.46Å; L310-R313 WeakPolarHBondContact O-CB 3.26Å; L310-R313 PolarHBondContact O-N 3.21Å; L310-R313 VanDerWaalsContact O-N 3.12Å |
| 311 | A | 93.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.8 | -42.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113 | L36 L269 L307 L308 R313 R314 Y318 F345 | L36-A311 HydrophobicContact CD1-CB 3.73Å; L269-A311 HydrophobicContact CD1-CB 3.57Å; L307-A311 VanDerWaalsContact O-CB 3.25Å; L307-A311 WeakPolarHBondContact O-CB 3.19Å; L307-A311 PolarHBondContact O-N 3.18Å; L308-A311 PolarHBondContact O-N 3.14Å; A311-R313 PolarHBondContact O-N 3.35Å; A311-R313 VanDerWaalsContact O-N 3.07Å; A311-R314 PolarHBondContact O-N 3.12Å; A311-R314 VanDerWaalsContact O-N 3.14Å; A311-Y318 HydrophobicContact CB-CD1 4.08Å; A311-Y318 HydrophobicContact CB-CE1 3.62Å; A311-Y318 HydrophobicContact CB-CE2 4.13Å; A311-Y318 VanDerWaalsContact O-CE2 3.27Å; A311-Y318 WeakPolarHBondContact O-CE2 3.06Å; A311-Y318 PolarHBondContact O-OH 3.02Å; A311-Y318 VanDerWaalsContact O-OH 3.05Å; A311-F345 HydrophobicContact CB-CE1 4.11Å; A311-F345 HydrophobicContact CB-CZ 3.82Å |
| 312 | C | 91.1 | Very high | 90.3 | Very high | 16 Ų | 16 | 25.3 Ų | 25.3 | 11% | 0.108 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -11.7 | -179.2 | 68.6 | 0 | 0 | 0 | 0 | 114.3 | K234 L308 Q309 L310 A344 F345 F348 | K234-C312 WeakPolarHBondContact CE-O 3.34Å; K234-C312 PolarHBondContact NZ-O 3.49Å; L308-C312 PolarHBondContact O-N 3.24Å; Q309-C312 PolarHBondContact O-SG 3.07Å; L310-C312 PolarHBondContact O-N 3.46Å; C312-A344 HydrophobicContact CB-CB 3.95Å; C312-A344 VanDerWaalsContact CB-O 3.27Å; C312-A344 WeakPolarHBondContact CB-O 3.16Å; C312-F345 HydrophobicContact CB-CD1 3.84Å; C312-F345 HydrophobicContact CB-CD2 4.26Å; C312-F345 HydrophobicContact CB-CE1 3.74Å; C312-F345 HydrophobicContact CB-CE2 4.14Å; C312-F345 HydrophobicContact CB-CG 4.14Å; C312-F345 HydrophobicContact CB-CZ 3.9Å; C312-F348 WeakPolarHBondContact O-CE2 3.48Å |
| 313 | R | 88.7 | Confident | 88.9 | Confident | 92 Ų | 92 | 21.1 Ų | 21.1 | 35% | 0.347 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -22.6 | 176.8 | -64.6 | -176.6 | 166.7 | 97.3 | -5.7 | 112.8 | K234 Q309 L310 A311 | K234-R313 VanDerWaalsContact CE-O 3.32Å; K234-R313 WeakPolarHBondContact CE-O 3.34Å; K234-R313 PolarHBondContact NZ-O 3.23Å; Q309-R313 PolarHBondContact O-NH1 3.43Å; L310-R313 WeakPolarHBondContact O-CB 3.26Å; L310-R313 PolarHBondContact O-N 3.21Å; L310-R313 VanDerWaalsContact O-N 3.12Å; A311-R313 PolarHBondContact O-N 3.35Å; A311-R313 VanDerWaalsContact O-N 3.07Å |
| 314 | R | 89.9 | Confident | 86.9 | Confident | 44 Ų | 44 | 22.8 Ų | 22.8 | 17% | 0.166 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -101.9 | 142.6 | -174.9 | -55 | -60.6 | -160 | 144.5 | 15.4 | 111.7 | E16 L36 A311 R316 Y318 F348 | E16-R314 IonicContact OE1-CZ 3.53Å; E16-R314 IonicContact OE1-NE 2.63Å; E16-R314 IonicContact OE1-NH2 2.76Å; E16-R314 PolarHBondContact OE1-NH2 3.28Å; E16-R314 IonicContact OE2-CZ 2.72Å; E16-R314 IonicContact OE2-NE 2.65Å; E16-R314 PolarHBondContact OE2-NE 3.15Å; E16-R314 VanDerWaalsContact OE2-NE 3.09Å; E16-R314 IonicContact OE2-NH1 3.77Å; E16-R314 IonicContact OE2-NH2 3.62Å; E16-R314 PolarHBondContact OE2-NH2 3.38Å; E16-R314 VanDerWaalsContact OE2-NH2 3.1Å; L36-R314 HydrophobicContact CD2-CG 4.01Å; A311-R314 PolarHBondContact O-N 3.12Å; A311-R314 VanDerWaalsContact O-N 3.14Å; R314-R316 VanDerWaalsContact C-N 3.33Å; R314-R316 HydrophobicContact CB-CG 4.26Å; R314-R316 PolarHBondContact O-N 2.77Å; R314-Y318 WeakPolarHBondContact CB-OH 3.41Å; R314-F348 WeakPolarHBondContact O-CZ 3.41Å |
| 315 | K | 92 | Very high | 84.6 | Confident | 53 Ų | 53 | 23.6 Ų | 23.6 | 23% | 0.23 | 11% | 0.112 | C | C | . | . | trans | -78.6 | 75.7 | 178.5 | -54.2 | 179.6 | -155.6 | 179.7 | 0 | 110.7 | E20 Y32 P230 A231 A232 K234 | E20-K315 IonicContact OE1-NZ 2.7Å; E20-K315 PolarHBondContact OE1-NZ 3.32Å; Y32-K315 VanDerWaalsContact CE2-O 3.31Å; Y32-K315 WeakPolarHBondContact CE2-O 3.49Å; P230-K315 HydrophobicContact CB-CB 3.97Å; A231-K315 VanDerWaalsContact O-CD 3.24Å; A231-K315 WeakPolarHBondContact O-CD 3.37Å; A232-K315 PolarHBondContact O-NZ 3.29Å; K234-K315 HydrophobicContact CG-CG 4.12Å | ||
| 316 | R | 93.9 | Very high | 82.5 | Confident | 16 Ų | 16 | 26.3 Ų | 26.3 | 6% | 0.06 | 13% | 0.13 | C | C | . | . | trans | -138.5 | 161.7 | 177.7 | -43.2 | -163.7 | -173.3 | 166.4 | 4.8 | 113.1 | P31 Y32 S34 C237 R314 Y318 | P31-R316 PolarHBondContact O-NH2 3.12Å; Y32-R316 HydrophobicContact CD2-CG 3.7Å; Y32-R316 HydrophobicContact CE2-CB 4.11Å; Y32-R316 HydrophobicContact CE2-CG 3.62Å; Y32-R316 PolarHBondContact O-NE 3.19Å; Y32-R316 PolarHBondContact O-NH1 2.85Å; Y32-R316 PolarHBondContact O-NH2 3.02Å; Y32-R316 VanDerWaalsContact O-NH2 3.09Å; S34-R316 PolarHBondContact O-NH1 3.17Å; S34-R316 PolarHBondContact O-NH2 3.1Å; C237-R316 WeakPolarHBondContact CB-O 3.25Å; C237-R316 PolarHBondContact SG-N 3.02Å; R314-R316 VanDerWaalsContact C-N 3.33Å; R314-R316 HydrophobicContact CB-CG 4.26Å; R314-R316 PolarHBondContact O-N 2.77Å; R316-Y318 HydrophobicContact CB-CE1 4.26Å; R316-Y318 HydrophobicContact CB-CE2 3.95Å; R316-Y318 WeakPolarHBondContact O-CD2 3.3Å; R316-Y318 WeakPolarHBondContact O-CE2 3.46Å | ||
| 317 | N | 96 | Very high | 80.5 | Confident | 18 Ų | 18 | 28 Ų | 28 | 10% | 0.096 | 14% | 0.144 | C | C | . | . | trans | -83.5 | 131.1 | 172 | -63.5 | -42.1 | 0 | 0 | 0 | 110.8 | C237 I238 Y264 W266 L267 | C237-N317 WeakPolarHBondContact CA-OD1 3.43Å; I238-N317 PolarHBondContact N-OD1 3.42Å; I238-N317 CarbonylContact O-C 3.59Å; I238-N317 VanDerWaalsContact O-CA 3.26Å; I238-N317 WeakPolarHBondContact O-CA 3.39Å; Y264-N317 WeakPolarHBondContact O-CB 3.46Å; Y264-N317 PolarHBondContact O-ND2 2.65Å; W266-N317 HydrophobicContact CD2-CB 4.2Å; W266-N317 HydrophobicContact CE3-CB 3.59Å; W266-N317 HydrophobicContact CH2-CB 4.3Å; W266-N317 HydrophobicContact CZ3-CB 3.67Å; L267-N317 PolarHBondContact N-O 2.88Å | ||
| 318 | Y | 96.4 | Very high | 78.4 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 146.1 | -174.9 | -62.8 | -75.6 | 0 | 0 | 0 | 112.5 | L36 I238 V239 I240 L267 L269 A311 R314 R316 F345 F348 | L36-Y318 HydrophobicContact CD1-CE1 4.35Å; I238-Y318 PolarHBondContact O-N 3.31Å; V239-Y318 WeakPolarHBondContact CA-O 3.19Å; V239-Y318 HydrophobicContact CG2-CD2 4.12Å; I240-Y318 PolarHBondContact N-O 3.4Å; L267-Y318 HydrophobicContact CB-CD1 3.87Å; L267-Y318 HydrophobicContact CB-CE1 4.05Å; L267-Y318 HydrophobicContact CD2-CD1 4.07Å; L267-Y318 HydrophobicContact CD2-CE1 3.62Å; L267-Y318 HydrophobicContact CG-CD1 4.42Å; L267-Y318 HydrophobicContact CG-CE1 4.39Å; L267-Y318 WeakPolarHBondContact O-CA 3.38Å; L269-Y318 HydrophobicContact CD1-CD1 3.75Å; L269-Y318 HydrophobicContact CD1-CE1 4.39Å; L269-Y318 HydrophobicContact CD1-CG 4.23Å; L269-Y318 HydrophobicContact CG-CD1 4.06Å; A311-Y318 HydrophobicContact CB-CD1 4.08Å; A311-Y318 HydrophobicContact CB-CE1 3.62Å; A311-Y318 HydrophobicContact CB-CE2 4.13Å; A311-Y318 VanDerWaalsContact O-CE2 3.27Å; A311-Y318 WeakPolarHBondContact O-CE2 3.06Å; A311-Y318 PolarHBondContact O-OH 3.02Å; A311-Y318 VanDerWaalsContact O-OH 3.05Å; R314-Y318 WeakPolarHBondContact CB-OH 3.41Å; R316-Y318 HydrophobicContact CB-CE1 4.26Å; R316-Y318 HydrophobicContact CB-CE2 3.95Å; R316-Y318 WeakPolarHBondContact O-CD2 3.3Å; R316-Y318 WeakPolarHBondContact O-CE2 3.46Å; Y318-F345 AromaticContact CD2-CE1 3.95Å; Y318-F345 HydrophobicContact CD2-CE1 3.95Å; Y318-F345 HydrophobicContact CE2-CE1 4.26Å; Y318-F348 HydrophobicContact CD2-CE1 4.19Å; Y318-F348 HydrophobicContact CE2-CE1 4.01Å; Y318-F348 HydrophobicContact CE2-CZ 4.35Å |
| 319 | I | 96.3 | Very high | 76.6 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 114.8 | 166.1 | -55.8 | -180 | 0 | 0 | 0 | 109 | I240 M242 V254 F257 I258 W266 L267 V268 L269 D321 | I240-I319 HydrophobicContact CB-CG1 4.26Å; I240-I319 HydrophobicContact CB-CG2 4.49Å; I240-I319 HydrophobicContact CD1-CG1 4.47Å; I240-I319 HydrophobicContact CG2-CG2 4.47Å; I240-I319 CarbonylContact O-C 3.54Å; I240-I319 WeakPolarHBondContact O-CA 3.46Å; M242-I319 HydrophobicContact CG-CG2 3.89Å; M242-I319 HydrophobicContact SD-CG2 4.19Å; V254-I319 HydrophobicContact CG1-CD1 4.09Å; V254-I319 HydrophobicContact CG1-CG2 4.12Å; V254-I319 HydrophobicContact CG2-CG2 3.79Å; F257-I319 HydrophobicContact CD1-CD1 3.93Å; F257-I319 HydrophobicContact CE1-CD1 4.33Å; I258-I319 HydrophobicContact CD1-CD1 4.22Å; I258-I319 HydrophobicContact CG1-CD1 3.97Å; W266-I319 HydrophobicContact CB-CD1 3.93Å; W266-I319 HydrophobicContact CB-CG1 4.18Å; W266-I319 HydrophobicContact CD2-CD1 3.91Å; W266-I319 HydrophobicContact CD2-CG1 3.94Å; W266-I319 HydrophobicContact CE3-CD1 4.08Å; W266-I319 HydrophobicContact CE3-CG1 3.57Å; W266-I319 HydrophobicContact CG-CD1 3.84Å; W266-I319 HydrophobicContact CG-CG1 4.21Å; W266-I319 HydrophobicContact CZ3-CG1 4.29Å; L267-I319 PolarHBondContact O-N 3.06Å; V268-I319 CarbonylContact C-O 3.5Å; V268-I319 WeakPolarHBondContact CA-O 3.47Å; V268-I319 HydrophobicContact CG2-CB 4.42Å; L269-I319 PolarHBondContact N-O 2.99Å; I319-D321 PolarHBondContact O-N 3.36Å |
| 320 | I | 94.4 | Very high | 75.2 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 88.7 | 176.8 | -53.5 | 176.4 | 0 | 0 | 0 | 108.9 | V239 I240 M241 M242 F304 L308 G322 N332 L342 F345 | V239-I320 HydrophobicContact CG1-CD1 3.71Å; V239-I320 HydrophobicContact CG1-CG1 4.15Å; I240-I320 PolarHBondContact O-N 3.4Å; M241-I320 HydrophobicContact CE-CD1 4.25Å; M242-I320 PolarHBondContact N-O 2.8Å; M242-I320 VanDerWaalsContact N-O 3.12Å; F304-I320 HydrophobicContact CZ-CG2 4.16Å; L308-I320 HydrophobicContact CD2-CD1 3.77Å; L308-I320 HydrophobicContact CD2-CG1 4.01Å; L308-I320 HydrophobicContact CD2-CG2 4.37Å; I320-G322 PolarHBondContact O-N 2.73Å; I320-N332 PolarHBondContact O-ND2 3.48Å; I320-N332 VanDerWaalsContact O-ND2 3.12Å; I320-L342 HydrophobicContact CD1-CD2 4.47Å; I320-F345 HydrophobicContact CD1-CE2 4.35Å |
| 321 | D | 86.6 | Confident | 74.5 | Confident | 9 Ų | 9 | 40.2 Ų | 40.2 | 5% | 0.048 | 20% | 0.197 | C | C | . | . | trans | -88.1 | 73.7 | 174.5 | -173 | 17.6 | 0 | 0 | 0 | 110.4 | M242 K250 S251 V254 V268 L269 S270 I319 L323 | M242-D321 HydrophobicContact CG-CB 4.35Å; K250-D321 WeakPolarHBondContact CB-OD1 3.27Å; S251-D321 WeakPolarHBondContact CA-OD2 3.49Å; S251-D321 WeakPolarHBondContact CB-OD2 3.36Å; S251-D321 PolarHBondContact OG-OD2 3.18Å; V254-D321 HydrophobicContact CG2-CB 4.4Å; V268-D321 HydrophobicContact CG1-CB 4.22Å; L269-D321 PolarHBondContact O-N 2.96Å; S270-D321 WeakPolarHBondContact CB-O 3.31Å; I319-D321 PolarHBondContact O-N 3.36Å; D321-L323 PolarHBondContact O-N 3.46Å | ||
| 322 | G | 67.5 | Low | 74 | Confident | 8 Ų | 8 | 40.4 Ų | 40.4 | 8% | 0.082 | 20% | 0.198 | C | C | . | . | trans | -74 | 107.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | I320 N332 | I320-G322 PolarHBondContact O-N 2.73Å; G322-N332 PolarHBondContact N-ND2 3.36Å | ||
| 323 | L | 58.3 | Low | 73.9 | Confident | 28 Ų | 28 | 39.8 Ų | 39.8 | 15% | 0.147 | 19% | 0.194 | C | C | . | . | trans | -137.1 | 128.3 | 170.7 | -161.4 | 84.8 | 0 | 0 | 0 | 113.7 | P246 D321 | P246-L323 HydrophobicContact CB-CD1 3.74Å; P246-L323 HydrophobicContact CG-CD1 3.91Å; D321-L323 PolarHBondContact O-N 3.46Å | ||
| 324 | I | 50.4 | Low | 73.8 | Confident | 36 Ų | 36 | 36 Ų | 36 | 19% | 0.185 | 18% | 0.181 | C | C | . | . | trans | 25.7 | 107.9 | 162.5 | -64.3 | 153.9 | 0 | 0 | 0 | 118.1 | P246 I377 M385 | P246-I324 HydrophobicContact CB-CD1 3.52Å; P246-I324 HydrophobicContact CG-CD1 3.24Å; P246-I324 HydrophobicContact CG-CG1 4.1Å; I324-I377 HydrophobicContact CD1-CB 4.3Å; I324-I377 HydrophobicContact CD1-CD1 3.14Å; I324-I377 HydrophobicContact CD1-CG1 3.54Å; I324-I377 HydrophobicContact CD1-CG2 3.81Å; I324-M385 HydrophobicContact CD1-CE 4.17Å; I324-M385 HydrophobicContact CG1-CE 3.51Å; I324-M385 HydrophobicContact CG1-SD 4.47Å | ||
| 325 | T | 42.5 | Very low | 73.7 | Confident | 23 Ų | 23 | 36 Ų | 36 | 14% | 0.141 | 19% | 0.187 | C | C | . | . | trans | -122.2 | 156.9 | 136.7 | 65.1 | 0 | 0 | 0 | 0 | 107.9 | P271 M297 A301 V327 | P271-T325 HydrophobicContact CB-CG2 4.12Å; P271-T325 HydrophobicContact CG-CG2 4.45Å; M297-T325 HydrophobicContact CE-CG2 3.9Å; M297-T325 WeakPolarHBondContact O-CG2 3.49Å; A301-T325 HydrophobicContact CB-CG2 3.7Å; A301-T325 WeakPolarHBondContact CB-OG1 3.37Å; T325-V327 PolarHBondContact O-N 3.05Å | ||
| 326 | T | 45 | Very low | 73.3 | Confident | 94 Ų | 94 | 41.2 Ų | 41.2 | 58% | 0.577 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -63.4 | 10.2 | -171 | 36.4 | 0 | 0 | 0 | 0 | 115.4 | ||
| 327 | V | 45.9 | Very low | 72.9 | Confident | 81 Ų | 81 | 40.4 Ų | 40.4 | 49% | 0.491 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -105.1 | 113.3 | -178.2 | -171.7 | 0 | 0 | 0 | 0 | 108.6 | T325 | T325-V327 PolarHBondContact O-N 3.05Š|
| 328 | Y | 48.7 | Very low | 72.5 | Confident | 181 Ų | 181 | 39.6 Ų | 39.6 | 71% | 0.71 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -16.9 | 125.8 | 176.8 | -68 | -90.4 | 0 | 0 | 0 | 115.6 | Q330 | Y328-Q330 PolarHBondContact O-N 3.38Š|
| 329 | L | 52.8 | Low | 72.2 | Confident | 75 Ų | 75 | 45.2 Ų | 45.2 | 39% | 0.393 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 25.1 | 153 | -57.1 | 165.4 | 0 | 0 | 0 | 118.9 | N389 | L329-N389 WeakPolarHBondContact CD2-ND2 3.1Å; L329-N389 WeakPolarHBondContact CD2-OD1 3.35Å |
| 330 | Q | 59.6 | Low | 71.7 | Confident | 53 Ų | 53 | 47.1 Ų | 47.1 | 25% | 0.248 | 23% | 0.229 | C | C | . | . | trans | -99.5 | 13.3 | 176.4 | -60.3 | -160.8 | -5 | 0 | 0 | 115.7 | L305 Y328 K341 | L305-Q330 VanDerWaalsContact CD1-NE2 3.31Å; Y328-Q330 PolarHBondContact O-N 3.38Å; Q330-K341 WeakPolarHBondContact O-CE 3.5Å; Q330-K341 PolarHBondContact O-NZ 3.1Å | ||
| 331 | T | 75 | Confident | 71.3 | Confident | 18 Ų | 18 | 47.5 Ų | 47.5 | 11% | 0.11 | 23% | 0.231 | C | C | . | . | trans | -78.4 | 145.8 | -179.4 | 58.8 | 0 | 0 | 0 | 0 | 112 | V333 C334 A337 M385 | T331-V333 PolarHBondContact O-N 2.89Å; T331-V333 VanDerWaalsContact O-N 3.1Å; T331-V333 WeakPolarHBondContact OG1-CG2 3.38Å; T331-C334 PolarHBondContact O-N 3.04Å; T331-C334 VanDerWaalsContact O-N 3.12Å; T331-A337 VanDerWaalsContact O-CB 3.3Å; T331-A337 WeakPolarHBondContact O-CB 3.45Å; T331-M385 HydrophobicContact CG2-CE 3.32Å; T331-M385 HydrophobicContact CG2-CG 4.34Å; T331-M385 HydrophobicContact CG2-SD 3.83Å | ||
| 332 | N | 84.3 | Confident | 71.5 | Confident | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -9.2 | 177.2 | -64.3 | -7.5 | 0 | 0 | 0 | 112.9 | M241 M242 I243 I320 G322 C334 R338 K341 | M241-N332 HydrophobicContact CG-CB 4.06Å; M241-N332 WeakPolarHBondContact CG-ND2 3.35Å; M241-N332 HydrophobicContact SD-CB 4.07Å; M242-N332 WeakPolarHBondContact O-CB 3.16Å; M242-N332 PolarHBondContact O-ND2 2.84Å; I243-N332 HydrophobicContact CG1-CB 4.19Å; I320-N332 PolarHBondContact O-ND2 3.48Å; I320-N332 VanDerWaalsContact O-ND2 3.12Å; G322-N332 PolarHBondContact N-ND2 3.36Å; N332-C334 VanDerWaalsContact C-N 3.29Å; N332-R338 VanDerWaalsContact O-CD 3.29Å; N332-R338 WeakPolarHBondContact O-CD 3.36Å; N332-R338 WeakPolarHBondContact O-CG 3.45Å; N332-K341 PolarHBondContact OD1-NZ 2.68Å |
| 333 | V | 87.6 | Confident | 72.6 | Confident | 3 Ų | 3 | 50.1 Ų | 50.1 | 2% | 0.018 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -26.7 | 173.2 | -60.9 | 0 | 0 | 0 | 0 | 112.1 | I243 T331 R338 N389 F390 T391 | I243-V333 HydrophobicContact CG2-CG1 4.49Å; T331-V333 PolarHBondContact O-N 2.89Å; T331-V333 VanDerWaalsContact O-N 3.1Å; T331-V333 WeakPolarHBondContact OG1-CG2 3.38Å; V333-R338 PolarHBondContact O-NH1 3.15Å; V333-R338 VanDerWaalsContact O-NH1 3.08Å; V333-N389 CarbonylContact C-O 3.57Å; V333-N389 HydrophobicContact CG2-CB 4.26Å; V333-F390 HydrophobicContact CB-CB 4.05Å; V333-F390 HydrophobicContact CB-CD2 3.57Å; V333-F390 HydrophobicContact CB-CE2 4.2Å; V333-F390 HydrophobicContact CB-CG 3.88Å; V333-F390 HydrophobicContact CG1-CD1 4.43Å; V333-F390 HydrophobicContact CG1-CD2 3.73Å; V333-F390 HydrophobicContact CG1-CE2 3.89Å; V333-F390 HydrophobicContact CG1-CG 4.02Å; V333-F390 HydrophobicContact CG1-CZ 4.31Å; V333-F390 HydrophobicContact CG2-CB 4.36Å; V333-T391 PolarHBondContact O-N 3.23Å |
| 334 | C | 86.5 | Confident | 74 | Confident | 12 Ų | 12 | 51 Ų | 51 | 8% | 0.081 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -81.7 | 124.5 | 179.9 | -177.5 | 0 | 0 | 0 | 0 | 112.3 | T331 N332 W336 A337 R338 N389 | T331-C334 PolarHBondContact O-N 3.04Å; T331-C334 VanDerWaalsContact O-N 3.12Å; N332-C334 VanDerWaalsContact C-N 3.29Å; C334-W336 PolarHBondContact O-N 3.42Å; C334-A337 HydrophobicContact CB-CB 3.94Å; C334-A337 PolarHBondContact O-N 3.39Å; C334-A337 VanDerWaalsContact O-N 3.15Å; C334-R338 WeakPolarHBondContact O-CG 3.48Å; C334-R338 PolarHBondContact O-N 3.11Å; C334-R338 VanDerWaalsContact O-N 3.07Å; C334-N389 VanDerWaalsContact CA-O 3.24Å; C334-N389 WeakPolarHBondContact CA-O 3.32Å; C334-N389 HydrophobicContact CB-CB 4.09Å; C334-N389 PolarHBondContact N-O 3.34Å |
| 335 | P | 87.6 | Confident | 76.1 | Confident | 45 Ų | 45 | 49.2 Ų | 49.2 | 29% | 0.292 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -54.7 | -45.4 | 179.3 | -27.8 | 34.4 | 0 | 0 | 0 | 114.3 | A337 R338 K339 T391 | P335-A337 VanDerWaalsContact C-N 3.32Å; P335-A337 PolarHBondContact O-N 2.66Å; P335-R338 WeakPolarHBondContact O-CB 3.19Å; P335-R338 PolarHBondContact O-N 3Å; P335-K339 PolarHBondContact O-N 3.22Å; P335-T391 HydrophobicContact CG-CG2 4.35Å |
| 336 | W | 84.8 | Confident | 78.5 | Confident | 162 Ų | 162 | 56.5 Ų | 56.5 | 61% | 0.614 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -62.2 | -40.7 | 179.7 | 177.8 | 85.2 | 0 | 0 | 0 | 111.9 | C334 R338 K339 R340 | C334-W336 PolarHBondContact O-N 3.42Å; W336-R338 PolarHBondContact O-N 3.2Å; W336-K339 PolarHBondContact O-N 3.01Å; W336-R340 WeakPolarHBondContact O-CB 3.45Å; W336-R340 PolarHBondContact O-N 3.25Å |
| 337 | A | 84 | Confident | 80.8 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.3 | -37.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | T331 C334 P335 K341 | T331-A337 VanDerWaalsContact O-CB 3.3Å; T331-A337 WeakPolarHBondContact O-CB 3.45Å; C334-A337 HydrophobicContact CB-CB 3.94Å; C334-A337 PolarHBondContact O-N 3.39Å; C334-A337 VanDerWaalsContact O-N 3.15Å; P335-A337 VanDerWaalsContact C-N 3.32Å; P335-A337 PolarHBondContact O-N 2.66Å; A337-K341 VanDerWaalsContact O-CG 3.3Å; A337-K341 WeakPolarHBondContact O-CG 3.38Å; A337-K341 PolarHBondContact O-N 3.08Å; A337-K341 VanDerWaalsContact O-N 3.09Å |
| 338 | R | 89.2 | Confident | 83.3 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.3 | -53.3 | 173.5 | -62.6 | -166.8 | -63.9 | -100.6 | 9.9 | 110.9 | M241 N332 V333 C334 P335 W336 R340 K341 L342 T391 E397 | M241-R338 HydrophobicContact SD-CB 3.94Å; M241-R338 HydrophobicContact SD-CG 3.66Å; N332-R338 VanDerWaalsContact O-CD 3.29Å; N332-R338 WeakPolarHBondContact O-CD 3.36Å; N332-R338 WeakPolarHBondContact O-CG 3.45Å; V333-R338 PolarHBondContact O-NH1 3.15Å; V333-R338 VanDerWaalsContact O-NH1 3.08Å; C334-R338 WeakPolarHBondContact O-CG 3.48Å; C334-R338 PolarHBondContact O-N 3.11Å; C334-R338 VanDerWaalsContact O-N 3.07Å; P335-R338 WeakPolarHBondContact O-CB 3.19Å; P335-R338 PolarHBondContact O-N 3Å; W336-R338 PolarHBondContact O-N 3.2Å; R338-R340 VanDerWaalsContact C-N 3.33Å; R338-R340 PolarHBondContact O-N 2.95Å; R338-K341 PolarHBondContact O-N 2.85Å; R338-L342 WeakPolarHBondContact O-CB 3.29Å; R338-L342 PolarHBondContact O-N 3.12Å; R338-T391 PolarHBondContact NH1-O 3.5Å; R338-E397 IonicContact CZ-OE2 2.81Å; R338-E397 IonicContact NE-OE2 2.76Å; R338-E397 IonicContact NH2-OE1 3.44Å; R338-E397 PolarHBondContact NH2-OE1 3.02Å; R338-E397 IonicContact NH2-OE2 2.98Å; R338-E397 PolarHBondContact NH2-OE2 2.88Å |
| 339 | K | 88.6 | Confident | 85.6 | Confident | 118 Ų | 118 | 46.1 Ų | 46.1 | 51% | 0.513 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -53.1 | -50.4 | 178.1 | 177.9 | 171.3 | -178.5 | 175.5 | 0 | 111.5 | P335 W336 K341 L342 S343 H399 | P335-K339 PolarHBondContact O-N 3.22Å; W336-K339 PolarHBondContact O-N 3.01Å; K339-K341 VanDerWaalsContact C-N 3.35Å; K339-K341 PolarHBondContact O-N 3.07Å; K339-L342 PolarHBondContact O-N 2.74Å; K339-S343 WeakPolarHBondContact O-CB 3.46Å; K339-S343 PolarHBondContact O-N 2.98Å; K339-H399 WeakPolarHBondContact CB-NE2 3.48Å; K339-H399 WeakPolarHBondContact CG-NE2 3.47Å |
| 340 | R | 86 | Confident | 87.7 | Confident | 40 Ų | 40 | 44.2 Ų | 44.2 | 15% | 0.151 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.3 | -40 | -178.9 | -175.1 | -176.1 | 65.7 | 78 | -5.4 | 112.8 | F3 W336 R338 S343 | F3-R340 HydrophobicContact CE2-CG 4.05Å; F3-R340 HydrophobicContact CZ-CG 4.21Å; W336-R340 WeakPolarHBondContact O-CB 3.45Å; W336-R340 PolarHBondContact O-N 3.25Å; R338-R340 VanDerWaalsContact C-N 3.33Å; R338-R340 PolarHBondContact O-N 2.95Å; R340-S343 PolarHBondContact O-OG 3.16Å; R340-S343 VanDerWaalsContact O-OG 3.04Å |
| 341 | K | 87.6 | Confident | 89.5 | Confident | 8 Ų | 8 | 43.3 Ų | 43.3 | 4% | 0.035 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -75.1 | -38.9 | 180 | -70 | 176.8 | -170.7 | -179.5 | 0 | 112.1 | M241 L308 Q330 N332 A337 R338 K339 F345 | M241-K341 HydrophobicContact CE-CB 3.87Å; M241-K341 HydrophobicContact CE-CD 4.2Å; L308-K341 HydrophobicContact CD1-CD 4.22Å; L308-K341 HydrophobicContact CD1-CG 4.1Å; Q330-K341 WeakPolarHBondContact O-CE 3.5Å; Q330-K341 PolarHBondContact O-NZ 3.1Å; N332-K341 PolarHBondContact OD1-NZ 2.68Å; A337-K341 VanDerWaalsContact O-CG 3.3Å; A337-K341 WeakPolarHBondContact O-CG 3.38Å; A337-K341 PolarHBondContact O-N 3.08Å; A337-K341 VanDerWaalsContact O-N 3.09Å; R338-K341 PolarHBondContact O-N 2.85Å; K339-K341 VanDerWaalsContact C-N 3.35Å; K339-K341 PolarHBondContact O-N 3.07Å; K341-F345 WeakPolarHBondContact O-CD2 3.45Å |
| 342 | L | 90.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -86.5 | -11.8 | -175 | -68.7 | 169.7 | 0 | 0 | 0 | 114.2 | V239 M241 I320 R338 K339 A344 F345 R350 H399 F400 | V239-L342 HydrophobicContact CG1-CD2 4.19Å; M241-L342 HydrophobicContact CE-CD1 3.75Å; M241-L342 HydrophobicContact CE-CD2 3.87Å; M241-L342 HydrophobicContact CE-CG 3.5Å; M241-L342 HydrophobicContact SD-CD1 3.99Å; M241-L342 HydrophobicContact SD-CG 4.41Å; I320-L342 HydrophobicContact CD1-CD2 4.47Å; R338-L342 WeakPolarHBondContact O-CB 3.29Å; R338-L342 PolarHBondContact O-N 3.12Å; K339-L342 PolarHBondContact O-N 2.74Å; L342-A344 PolarHBondContact O-N 3.08Å; L342-F345 PolarHBondContact O-N 3.31Å; L342-R350 HydrophobicContact CD2-CG 4.2Å; L342-H399 HydrophobicContact CD1-CB 4.33Å; L342-F400 HydrophobicContact CD1-CD1 3.98Å; L342-F400 HydrophobicContact CD1-CE1 3.24Å; L342-F400 HydrophobicContact CD1-CE2 4.16Å; L342-F400 HydrophobicContact CD1-CZ 3.35Å |
| 343 | S | 89.2 | Confident | 91.1 | Very high | 73 Ų | 73 | 42.3 Ų | 42.3 | 51% | 0.51 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -59.3 | -34.1 | 177.2 | 57.3 | 0 | 0 | 0 | 0 | 112.4 | K339 R340 F345 | K339-S343 WeakPolarHBondContact O-CB 3.46Å; K339-S343 PolarHBondContact O-N 2.98Å; R340-S343 PolarHBondContact O-OG 3.16Å; R340-S343 VanDerWaalsContact O-OG 3.04Å; S343-F345 VanDerWaalsContact C-N 3.33Å |
| 344 | A | 87.6 | Confident | 91.5 | Very high | 45 Ų | 45 | 42.2 Ų | 42.2 | 37% | 0.372 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -76.5 | -18 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | C312 L342 | C312-A344 HydrophobicContact CB-CB 3.95Å; C312-A344 VanDerWaalsContact CB-O 3.27Å; C312-A344 WeakPolarHBondContact CB-O 3.16Å; L342-A344 PolarHBondContact O-N 3.08Å |
| 345 | F | 94 | Very high | 91.9 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -102.7 | 29.7 | -178.7 | -65.8 | -89.1 | 0 | 0 | 0 | 112.2 | V239 L308 A311 C312 Y318 I320 K341 L342 S343 D347 F348 R350 | V239-F345 HydrophobicContact CB-CD1 4.49Å; V239-F345 HydrophobicContact CG1-CD1 4.41Å; V239-F345 HydrophobicContact CG1-CG 4.43Å; V239-F345 HydrophobicContact CG2-CB 4.25Å; V239-F345 HydrophobicContact CG2-CD1 3.43Å; V239-F345 VanDerWaalsContact CG2-CD1 3.43Å; V239-F345 HydrophobicContact CG2-CE1 3.97Å; V239-F345 HydrophobicContact CG2-CG 4.03Å; L308-F345 HydrophobicContact CD2-CE2 4.08Å; L308-F345 HydrophobicContact CD2-CZ 4.24Å; A311-F345 HydrophobicContact CB-CE1 4.11Å; A311-F345 HydrophobicContact CB-CZ 3.82Å; C312-F345 HydrophobicContact CB-CD1 3.84Å; C312-F345 HydrophobicContact CB-CD2 4.26Å; C312-F345 HydrophobicContact CB-CE1 3.74Å; C312-F345 HydrophobicContact CB-CE2 4.14Å; C312-F345 HydrophobicContact CB-CG 4.14Å; C312-F345 HydrophobicContact CB-CZ 3.9Å; Y318-F345 AromaticContact CD2-CE1 3.95Å; Y318-F345 HydrophobicContact CD2-CE1 3.95Å; Y318-F345 HydrophobicContact CE2-CE1 4.26Å; I320-F345 HydrophobicContact CD1-CE2 4.35Å; K341-F345 WeakPolarHBondContact O-CD2 3.45Å; L342-F345 PolarHBondContact O-N 3.31Å; S343-F345 VanDerWaalsContact C-N 3.33Å; F345-D347 PolarHBondContact O-N 3.37Å; F345-F348 HydrophobicContact CB-CB 4.36Å; F345-F348 HydrophobicContact CB-CD2 4.03Å; F345-F348 HydrophobicContact CB-CG 4.37Å; F345-F348 HydrophobicContact CD1-CD1 4.38Å; F345-F348 AromaticContact CD1-CD2 3.81Å; F345-F348 HydrophobicContact CD1-CD2 3.81Å; F345-F348 HydrophobicContact CD1-CE1 4.4Å; F345-F348 AromaticContact CD1-CE2 3.82Å; F345-F348 HydrophobicContact CD1-CE2 3.82Å; F345-F348 HydrophobicContact CD1-CG 4.1Å; F345-F348 HydrophobicContact CD1-CZ 4.13Å; F345-F348 HydrophobicContact CG-CD2 4.39Å; F345-F348 WeakPolarHBondContact O-CB 3.08Å; F345-F348 PolarHBondContact O-N 2.84Å; F345-F348 VanDerWaalsContact O-N 3.15Å; F345-R350 HydrophobicContact CB-CG 4.45Å; F345-R350 WeakPolarHBondContact O-CD 3.3Å; F345-R350 PolarHBondContact O-NE 3.21Å |
| 346 | R | 93.2 | Very high | 92.3 | Very high | 176 Ų | 176 | 39.7 Ų | 39.7 | 66% | 0.664 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -28.9 | -176 | 58.8 | 168.9 | -169.8 | -156.8 | -3.8 | 114.1 | F348 | R346-F348 VanDerWaalsContact C-N 3.26Å; R346-F348 PolarHBondContact O-N 3.02Å |
| 347 | D | 94.3 | Very high | 92.8 | Very high | 61 Ų | 61 | 32 Ų | 32 | 33% | 0.326 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 12.2 | -178.9 | -46 | -40.9 | 0 | 0 | 0 | 111.5 | K234 E235 F345 | K234-D347 CarbonylContact C-O 3.26Å; K234-D347 HydrophobicContact CB-CB 4.24Å; K234-D347 WeakPolarHBondContact CB-O 3.31Å; K234-D347 VanDerWaalsContact O-O 3.1Å; E235-D347 WeakPolarHBondContact CA-O 3.44Å; E235-D347 PolarHBondContact N-O 2.8Å; F345-D347 PolarHBondContact O-N 3.37Å |
| 348 | F | 97.2 | Very high | 93.3 | Very high | 7 Ų | 7 | 33.2 Ų | 33.2 | 3% | 0.031 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -111.6 | 157.7 | 176.6 | -69.7 | -110.5 | 0 | 0 | 0 | 110.6 | K234 C237 V239 C312 R314 Y318 F345 R346 R350 | K234-F348 HydrophobicContact CB-CD2 4.29Å; K234-F348 HydrophobicContact CB-CE2 4.08Å; K234-F348 HydrophobicContact CB-CZ 4.26Å; K234-F348 HydrophobicContact CD-CE2 3.84Å; K234-F348 HydrophobicContact CD-CZ 4.17Å; K234-F348 HydrophobicContact CG-CE2 4.15Å; K234-F348 HydrophobicContact CG-CZ 4.13Å; C237-F348 HydrophobicContact CB-CD1 3.4Å; C237-F348 VanDerWaalsContact CB-CD1 3.4Å; C237-F348 HydrophobicContact CB-CE1 3.54Å; V239-F348 HydrophobicContact CG2-CB 3.8Å; V239-F348 HydrophobicContact CG2-CD1 3.55Å; V239-F348 HydrophobicContact CG2-CE1 4.28Å; V239-F348 HydrophobicContact CG2-CG 3.78Å; C312-F348 WeakPolarHBondContact O-CE2 3.48Å; R314-F348 WeakPolarHBondContact O-CZ 3.41Å; Y318-F348 HydrophobicContact CD2-CE1 4.19Å; Y318-F348 HydrophobicContact CE2-CE1 4.01Å; Y318-F348 HydrophobicContact CE2-CZ 4.35Å; F345-F348 HydrophobicContact CB-CB 4.36Å; F345-F348 HydrophobicContact CB-CD2 4.03Å; F345-F348 HydrophobicContact CB-CG 4.37Å; F345-F348 HydrophobicContact CD1-CD1 4.38Å; F345-F348 AromaticContact CD1-CD2 3.81Å; F345-F348 HydrophobicContact CD1-CD2 3.81Å; F345-F348 HydrophobicContact CD1-CE1 4.4Å; F345-F348 AromaticContact CD1-CE2 3.82Å; F345-F348 HydrophobicContact CD1-CE2 3.82Å; F345-F348 HydrophobicContact CD1-CG 4.1Å; F345-F348 HydrophobicContact CD1-CZ 4.13Å; F345-F348 HydrophobicContact CG-CD2 4.39Å; F345-F348 WeakPolarHBondContact O-CB 3.08Å; F345-F348 PolarHBondContact O-N 2.84Å; F345-F348 VanDerWaalsContact O-N 3.15Å; R346-F348 VanDerWaalsContact C-N 3.26Å; R346-F348 PolarHBondContact O-N 3.02Å; F348-R350 PolarHBondContact O-N 3.27Å |
| 349 | H | 97.4 | Very high | 93.4 | Very high | 69 Ų | 69 | 36 Ų | 36 | 32% | 0.319 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 109.8 | 164.2 | -168.7 | 88.1 | 0 | 0 | 0 | 110.3 | C237 I238 V239 | C237-H349 PolarHBondContact O-N 3.12Å; I238-H349 CarbonylContact C-O 3.53Å; I238-H349 WeakPolarHBondContact CA-O 3.05Å; I238-H349 HydrophobicContact CG1-CB 4.32Å; V239-H349 PolarHBondContact N-O 3.05Å |
| 350 | R | 97.1 | Very high | 93.5 | Very high | 35 Ų | 35 | 38.7 Ų | 38.7 | 13% | 0.132 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 116.1 | -173.3 | -68.8 | 166.6 | -72.7 | -177.3 | 2.5 | 111.3 | V239 L342 F345 F348 H399 F400 N401 E402 | V239-R350 WeakPolarHBondContact O-CA 3.47Å; L342-R350 HydrophobicContact CD2-CG 4.2Å; F345-R350 HydrophobicContact CB-CG 4.45Å; F345-R350 WeakPolarHBondContact O-CD 3.3Å; F345-R350 PolarHBondContact O-NE 3.21Å; F348-R350 PolarHBondContact O-N 3.27Å; R350-H399 WeakPolarHBondContact CD-O 3.35Å; R350-F400 HydrophobicContact CB-CD1 4.4Å; R350-F400 WeakPolarHBondContact O-CA 3.16Å; R350-N401 PolarHBondContact N-OD1 3.02Å; R350-N401 PolarHBondContact O-N 3.36Å; R350-E402 PolarHBondContact O-N 3.33Å |
| 351 | R | 97.1 | Very high | 93.9 | Very high | 34 Ų | 34 | 40.2 Ų | 40.2 | 13% | 0.128 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 136.1 | 178.4 | -177 | 173.8 | -175.4 | 172.7 | 11.4 | 111.4 | V239 I240 M241 V353 E402 T404 | V239-R351 PolarHBondContact O-N 3.43Å; I240-R351 CarbonylContact C-O 3.55Å; I240-R351 WeakPolarHBondContact CA-O 3.48Å; I240-R351 HydrophobicContact CG1-CB 4.31Å; M241-R351 PolarHBondContact N-O 3.39Å; R351-V353 HydrophobicContact CG-CG2 4.37Å; R351-E402 CarbonylContact C-O 3.53Å; R351-E402 WeakPolarHBondContact CA-O 3.42Å; R351-E402 VanDerWaalsContact CD-OE2 3.29Å; R351-E402 WeakPolarHBondContact CD-OE2 3.44Å; R351-E402 HydrophobicContact CG-CB 4.18Å; R351-E402 IonicContact CZ-OE1 2.84Å; R351-E402 VanDerWaalsContact CZ-OE1 3.23Å; R351-E402 IonicContact CZ-OE2 2.98Å; R351-E402 IonicContact NE-OE1 3.48Å; R351-E402 PolarHBondContact NE-OE1 3.45Å; R351-E402 IonicContact NE-OE2 2.8Å; R351-E402 PolarHBondContact NE-OE2 3.1Å; R351-E402 IonicContact NH1-OE2 3.83Å; R351-E402 IonicContact NH2-OE1 3.54Å; R351-E402 PolarHBondContact NH2-OE1 3.42Å; R351-T404 PolarHBondContact NE-OG1 2.89Å; R351-T404 PolarHBondContact NH2-OG1 3.47Å |
| 352 | A | 96.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 130.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110 | I243 I354 P393 F400 E402 I403 T404 | I243-A352 HydrophobicContact CD1-CB 3.99Å; A352-I354 HydrophobicContact CB-CD1 3.53Å; A352-P393 HydrophobicContact CB-CG 4.19Å; A352-F400 HydrophobicContact CB-CD1 3.65Å; A352-F400 HydrophobicContact CB-CD2 4.1Å; A352-F400 HydrophobicContact CB-CE1 3.59Å; A352-F400 HydrophobicContact CB-CE2 4.06Å; A352-F400 HydrophobicContact CB-CG 3.9Å; A352-F400 HydrophobicContact CB-CZ 3.8Å; A352-E402 PolarHBondContact N-O 2.9Å; A352-I403 HydrophobicContact CB-CG1 4.1Å; A352-I403 HydrophobicContact CB-CG2 4.49Å; A352-T404 PolarHBondContact O-N 3.47Å |
| 353 | V | 97.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 115.2 | 171.5 | 173.4 | 0 | 0 | 0 | 0 | 109.3 | I240 M241 M242 I243 W253 R351 I406 | I240-V353 HydrophobicContact CG2-CB 4.05Å; I240-V353 HydrophobicContact CG2-CG2 3.57Å; M241-V353 PolarHBondContact O-N 3.17Å; M242-V353 HydrophobicContact CE-CB 4.09Å; M242-V353 HydrophobicContact CE-CG1 3.65Å; M242-V353 HydrophobicContact SD-CB 3.87Å; M242-V353 HydrophobicContact SD-CG1 4.05Å; I243-V353 PolarHBondContact N-O 2.79Å; W253-V353 HydrophobicContact CD2-CG1 4.24Å; W253-V353 HydrophobicContact CE3-CG1 4.25Å; W253-V353 HydrophobicContact CH2-CB 4.33Å; W253-V353 HydrophobicContact CH2-CG1 3.87Å; W253-V353 HydrophobicContact CH2-CG2 3.83Å; W253-V353 HydrophobicContact CZ2-CG1 3.84Å; W253-V353 HydrophobicContact CZ2-CG2 4.3Å; W253-V353 HydrophobicContact CZ3-CG1 4.07Å; W253-V353 HydrophobicContact CZ3-CG2 4.37Å; R351-V353 HydrophobicContact CG-CG2 4.37Å; V353-I406 HydrophobicContact CG1-CD1 3.9Å; V353-I406 HydrophobicContact CG1-CG1 3.52Å |
| 354 | I | 96.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 123.6 | -170.4 | -65.7 | 58.1 | 0 | 0 | 0 | 108.5 | I243 A352 V356 L392 P393 I403 T404 Y405 I406 | I243-I354 HydrophobicContact CB-CG1 4.4Å; I243-I354 HydrophobicContact CD1-CD1 4.38Å; I243-I354 WeakPolarHBondContact O-CA 3.35Å; A352-I354 HydrophobicContact CB-CD1 3.53Å; I354-V356 HydrophobicContact CG2-CG2 3.86Å; I354-L392 HydrophobicContact CG2-CD2 3.89Å; I354-P393 HydrophobicContact CD1-CG 3.85Å; I354-P393 HydrophobicContact CG1-CG 4.03Å; I354-I403 HydrophobicContact CD1-CG2 3.59Å; I354-I403 HydrophobicContact CG1-CG2 4.37Å; I354-T404 PolarHBondContact N-O 3.32Å; I354-Y405 HydrophobicContact CB-CD1 3.85Å; I354-Y405 HydrophobicContact CB-CE1 3.97Å; I354-Y405 HydrophobicContact CB-CG 4.38Å; I354-Y405 HydrophobicContact CG1-CD1 4.46Å; I354-Y405 HydrophobicContact CG1-CE1 4.14Å; I354-Y405 HydrophobicContact CG2-CD1 3.69Å; I354-Y405 HydrophobicContact CG2-CE1 3.65Å; I354-I406 PolarHBondContact O-N 2.88Å; I354-I406 VanDerWaalsContact O-N 3.1Å |
| 355 | I | 95.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | trans | -120 | 97.6 | 176.4 | -60.9 | 172.1 | 0 | 0 | 0 | 108.5 | M242 I243 C248 K250 W253 I406 | M242-I355 HydrophobicContact CE-CD1 3.47Å; M242-I355 VanDerWaalsContact CE-CD1 3.47Å; M242-I355 HydrophobicContact CE-CG1 4.32Å; I243-I355 PolarHBondContact O-N 3.5Å; C248-I355 HydrophobicContact CB-CG2 4.22Å; C248-I355 WeakPolarHBondContact O-CG2 3.45Å; C248-I355 PolarHBondContact SG-O 3.27Å; C248-I355 VanDerWaalsContact SG-O 3.38Å; K250-I355 HydrophobicContact CG-CD1 4.27Å; W253-I355 HydrophobicContact CB-CD1 3.65Å; W253-I355 HydrophobicContact CG-CD1 3.94Å; I355-I406 HydrophobicContact CG1-CB 4.25Å; I355-I406 HydrophobicContact CG1-CG1 4.2Å | ||
| 356 | V | 96 | Very high | 93.8 | Very high | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.018 | 22% | 0.224 | C | C | . | . | trans | -121.6 | 96.3 | 170.2 | -177.6 | 0 | 0 | 0 | 0 | 107.4 | I354 F390 L392 L408 A413 V416 V417 | I354-V356 HydrophobicContact CG2-CG2 3.86Å; V356-F390 HydrophobicContact CG2-CE1 4.29Å; V356-F390 HydrophobicContact CG2-CZ 3.74Å; V356-L392 HydrophobicContact CG2-CD2 4.24Å; V356-L408 HydrophobicContact CG1-CD1 4.38Å; V356-L408 WeakPolarHBondContact O-CB 3.19Å; V356-L408 VanDerWaalsContact O-CG 3.29Å; V356-L408 WeakPolarHBondContact O-CG 3.36Å; V356-L408 PolarHBondContact O-N 3.45Å; V356-A413 HydrophobicContact CB-CB 4.02Å; V356-A413 HydrophobicContact CG1-CB 4.26Å; V356-A413 HydrophobicContact CG2-CB 4.33Å; V356-V416 HydrophobicContact CG1-CB 3.93Å; V356-V416 HydrophobicContact CG1-CG1 3.69Å; V356-V417 HydrophobicContact CG1-CG2 4.46Å; V356-V417 HydrophobicContact CG2-CG2 4.17Å | ||
| 357 | P | 95.3 | Very high | 93.4 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.013 | 22% | 0.22 | C | C | . | . | trans | -73.6 | 162 | 173.3 | 27.3 | -29.4 | 0 | 0 | 0 | 110.7 | C248 E361 Y362 E407 | C248-P357 HydrophobicContact CB-CG 4.2Å; P357-E361 HydrophobicContact CB-CB 4.2Å; P357-E361 HydrophobicContact CB-CG 4Å; P357-Y362 HydrophobicContact CG-CD2 4.2Å; P357-E407 WeakPolarHBondContact CB-OE2 3.49Å | ||
| 358 | P | 94 | Very high | 92.9 | Very high | 25 Ų | 25 | 46.6 Ų | 46.6 | 16% | 0.162 | 22% | 0.221 | C | C | . | . | trans | -50.5 | 146.5 | 164.9 | -23.2 | 32 | 0 | 0 | 0 | 111.6 | E360 E361 Y362 L408 P459 | P358-E360 VanDerWaalsContact C-N 3.27Å; P358-E360 PolarHBondContact O-N 2.83Å; P358-E361 HydrophobicContact CB-CB 4.46Å; P358-E361 WeakPolarHBondContact O-CB 3.5Å; P358-E361 PolarHBondContact O-N 2.93Å; P358-Y362 PolarHBondContact O-N 3.18Å; P358-L408 HydrophobicContact CG-CD2 4.15Å; P358-L408 HydrophobicContact CG-CG 4.46Å; P358-P459 HydrophobicContact CG-CB 4.33Å | ||
| 359 | E | 90.3 | Very high | 92 | Very high | 58 Ų | 58 | 47.7 Ų | 47.7 | 27% | 0.271 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -55.7 | -39.4 | -173.1 | -68.4 | 177.7 | -120.8 | 0 | 0 | 113.6 | Y362 A363 V416 R419 Y420 | E359-Y362 WeakPolarHBondContact O-CB 3.33Å; E359-Y362 PolarHBondContact O-N 2.84Å; E359-A363 WeakPolarHBondContact O-CB 3.29Å; E359-A363 PolarHBondContact O-N 3.31Å; E359-V416 HydrophobicContact CG-CG1 3.99Å; E359-V416 HydrophobicContact CG-CG2 4.42Å; E359-R419 WeakPolarHBondContact OE1-CD 3.5Å; E359-R419 IonicContact OE1-CZ 3.23Å; E359-R419 IonicContact OE1-NE 3.23Å; E359-R419 IonicContact OE1-NH1 2.74Å; E359-R419 PolarHBondContact OE1-NH1 3.38Å; E359-Y420 HydrophobicContact CG-CE1 4.2Å |
| 360 | E | 91.4 | Very high | 90.8 | Very high | 175 Ų | 175 | 45.6 Ų | 45.6 | 82% | 0.818 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -63.2 | -43.2 | 177.8 | -63.3 | 177.6 | -176.6 | 0 | 0 | 111.6 | P358 A363 Y364 | P358-E360 VanDerWaalsContact C-N 3.27Å; P358-E360 PolarHBondContact O-N 2.83Å; E360-A363 PolarHBondContact O-N 2.98Å; E360-Y364 PolarHBondContact O-N 2.81Å |
| 361 | E | 93.8 | Very high | 89.6 | Confident | 71 Ų | 71 | 48.7 Ų | 48.7 | 33% | 0.332 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -69.4 | -39.4 | 177.4 | 179.7 | 63.5 | -163.5 | 0 | 0 | 111 | P357 P358 A363 Y364 R365 | P357-E361 HydrophobicContact CB-CB 4.2Å; P357-E361 HydrophobicContact CB-CG 4Å; P358-E361 HydrophobicContact CB-CB 4.46Å; P358-E361 WeakPolarHBondContact O-CB 3.5Å; P358-E361 PolarHBondContact O-N 2.93Å; E361-A363 PolarHBondContact O-N 3.02Å; E361-Y364 PolarHBondContact O-N 3.17Å; E361-R365 WeakPolarHBondContact O-CG 3.47Å; E361-R365 PolarHBondContact O-N 3.33Å; E361-R365 IonicContact OE1-CZ 3.82Å; E361-R365 IonicContact OE1-NE 3.9Å; E361-R365 PolarHBondContact OE1-NE 3.43Å; E361-R365 IonicContact OE1-NH2 2.91Å; E361-R365 PolarHBondContact OE1-NH2 2.81Å; E361-R365 VanDerWaalsContact OE1-NH2 3.11Å |
| 362 | Y | 92.9 | Very high | 88.2 | Confident | 12 Ų | 12 | 53.2 Ų | 53.2 | 5% | 0.047 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.1 | -49.5 | 173.1 | -177.7 | -117.3 | 0 | 0 | 0 | 111.5 | L245 P246 C248 P357 P358 E359 Y364 R365 Y366 | L245-Y362 HydrophobicContact CB-CE2 3.87Å; L245-Y362 WeakPolarHBondContact CB-OH 3.25Å; L245-Y362 HydrophobicContact CD1-CE1 4.12Å; P246-Y362 WeakPolarHBondContact O-CE2 3.31Å; P246-Y362 PolarHBondContact O-OH 3.09Å; C248-Y362 HydrophobicContact CB-CD2 3.94Å; C248-Y362 HydrophobicContact CB-CE2 3.93Å; P357-Y362 HydrophobicContact CG-CD2 4.2Å; P358-Y362 PolarHBondContact O-N 3.18Å; E359-Y362 WeakPolarHBondContact O-CB 3.33Å; E359-Y362 PolarHBondContact O-N 2.84Å; Y362-Y364 VanDerWaalsContact C-N 3.31Å; Y362-Y364 PolarHBondContact O-N 2.99Å; Y362-R365 PolarHBondContact O-N 3.29Å; Y362-Y366 VanDerWaalsContact O-CB 3.31Å; Y362-Y366 WeakPolarHBondContact O-CB 3.39Å; Y362-Y366 PolarHBondContact O-N 3.39Å |
| 363 | A | 89.5 | Confident | 86.6 | Confident | 59 Ų | 59 | 58.6 Ų | 58.6 | 49% | 0.488 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.4 | -42.1 | 180 | 0 | 0 | 0 | 0 | 0 | 111.5 | E359 E360 E361 L367 | E359-A363 WeakPolarHBondContact O-CB 3.29Å; E359-A363 PolarHBondContact O-N 3.31Å; E360-A363 PolarHBondContact O-N 2.98Å; E361-A363 PolarHBondContact O-N 3.02Å; A363-L367 WeakPolarHBondContact O-CB 3.45Å; A363-L367 PolarHBondContact O-N 3.5Å |
| 364 | Y | 91 | Very high | 84.8 | Confident | 128 Ų | 128 | 61.1 Ų | 61.1 | 50% | 0.502 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.1 | -51.1 | 175 | 174.8 | -102 | 0 | 0 | 0 | 112.5 | E360 E361 Y362 Y366 L367 M368 | E360-Y364 PolarHBondContact O-N 2.81Å; E361-Y364 PolarHBondContact O-N 3.17Å; Y362-Y364 VanDerWaalsContact C-N 3.31Å; Y362-Y364 PolarHBondContact O-N 2.99Å; Y364-Y366 PolarHBondContact O-N 2.76Å; Y364-L367 PolarHBondContact O-N 3.36Å; Y364-M368 HydrophobicContact CE1-CG 4.23Å; Y364-M368 HydrophobicContact CE2-CE 3.72Å; Y364-M368 HydrophobicContact CE2-CG 4.17Å; Y364-M368 WeakPolarHBondContact O-CG 3.13Å; Y364-M368 PolarHBondContact O-N 3.23Å; Y364-M368 WeakPolarHBondContact OH-CE 3.36Å |
| 365 | R | 90.5 | Very high | 83.3 | Confident | 61 Ų | 61 | 65.7 Ų | 65.7 | 23% | 0.23 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.3 | -42.8 | -180 | -69 | 178.8 | -171.7 | 176.4 | 13.4 | 112.1 | G247 C248 E361 Y362 M368 E369 E407 | G247-R365 VanDerWaalsContact O-CB 3.24Å; G247-R365 WeakPolarHBondContact O-CB 3.24Å; C248-R365 PolarHBondContact O-NH1 2.85Å; E361-R365 WeakPolarHBondContact O-CG 3.47Å; E361-R365 PolarHBondContact O-N 3.33Å; E361-R365 IonicContact OE1-CZ 3.82Å; E361-R365 IonicContact OE1-NE 3.9Å; E361-R365 PolarHBondContact OE1-NE 3.43Å; E361-R365 IonicContact OE1-NH2 2.91Å; E361-R365 PolarHBondContact OE1-NH2 2.81Å; E361-R365 VanDerWaalsContact OE1-NH2 3.11Å; Y362-R365 PolarHBondContact O-N 3.29Å; R365-M368 PolarHBondContact O-N 2.74Å; R365-E369 PolarHBondContact O-N 3.28Å; R365-E407 IonicContact CZ-OE1 3.25Å; R365-E407 IonicContact CZ-OE2 3.01Å; R365-E407 IonicContact NH1-OE1 3.9Å; R365-E407 PolarHBondContact NH1-OE1 3.03Å; R365-E407 IonicContact NH1-OE2 3.77Å; R365-E407 PolarHBondContact NH1-OE2 2.81Å; R365-E407 IonicContact NH2-OE1 3.31Å; R365-E407 PolarHBondContact NH2-OE1 3.03Å; R365-E407 IonicContact NH2-OE2 3.85Å; R365-E407 PolarHBondContact NH2-OE2 3.12Å |
| 366 | Y | 83.9 | Confident | 81.8 | Confident | 52 Ų | 52 | 75.8 Ų | 75.8 | 20% | 0.204 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 179.1 | -172.1 | -98.4 | 0 | 0 | 0 | 111.7 | Y362 Y364 E369 S370 I377 L382 | Y362-Y366 VanDerWaalsContact O-CB 3.31Å; Y362-Y366 WeakPolarHBondContact O-CB 3.39Å; Y362-Y366 PolarHBondContact O-N 3.39Å; Y364-Y366 PolarHBondContact O-N 2.76Å; Y366-E369 PolarHBondContact O-N 3.04Å; Y366-S370 PolarHBondContact O-N 3.46Å; Y366-S370 VanDerWaalsContact O-N 3.17Å; Y366-I377 HydrophobicContact CE2-CD1 4.02Å; Y366-I377 PolarHBondContact OH-O 3.11Å; Y366-L382 HydrophobicContact CE1-CD2 4.3Å; Y366-L382 HydrophobicContact CE2-CD2 4.07Å |
| 367 | L | 84.5 | Confident | 80.6 | Confident | 111 Ų | 111 | 76.5 Ų | 76.5 | 58% | 0.581 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -59.1 | -53.3 | 174.5 | -177.5 | 64.3 | 0 | 0 | 0 | 110.3 | A363 Y364 E369 S370 T371 | A363-L367 WeakPolarHBondContact O-CB 3.45Å; A363-L367 PolarHBondContact O-N 3.5Å; Y364-L367 PolarHBondContact O-N 3.36Å; L367-E369 VanDerWaalsContact C-N 3.33Å; L367-E369 PolarHBondContact O-N 3.09Å; L367-S370 WeakPolarHBondContact O-CB 3.33Å; L367-S370 PolarHBondContact O-N 3.43Å; L367-S370 VanDerWaalsContact O-N 3.1Å; L367-S370 PolarHBondContact O-OG 3.33Å; L367-T371 PolarHBondContact O-N 2.94Å; L367-T371 VanDerWaalsContact O-N 3.12Å; L367-T371 PolarHBondContact O-OG1 3.44Å |
| 368 | M | 83.8 | Confident | 79.7 | Confident | 74 Ų | 74 | 79.7 Ų | 79.7 | 37% | 0.365 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -57.9 | -39.7 | -179.6 | -75.9 | -64.1 | -154.9 | 0 | 0 | 113.6 | Y364 R365 S370 T371 N372 | Y364-M368 HydrophobicContact CE1-CG 4.23Å; Y364-M368 HydrophobicContact CE2-CE 3.72Å; Y364-M368 HydrophobicContact CE2-CG 4.17Å; Y364-M368 WeakPolarHBondContact O-CG 3.13Å; Y364-M368 PolarHBondContact O-N 3.23Å; Y364-M368 WeakPolarHBondContact OH-CE 3.36Å; R365-M368 PolarHBondContact O-N 2.74Å; M368-S370 VanDerWaalsContact C-N 3.34Å; M368-T371 PolarHBondContact O-N 3.31Å; M368-N372 VanDerWaalsContact O-CB 3.29Å; M368-N372 WeakPolarHBondContact O-CB 3.29Å; M368-N372 PolarHBondContact O-N 2.96Å; M368-N372 PolarHBondContact O-ND2 3.35Å |
| 369 | E | 77.9 | Confident | 79 | Confident | 31 Ų | 31 | 82.3 Ų | 82.3 | 15% | 0.145 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -65.9 | -38.8 | 177.4 | -179.1 | 155.2 | -123.3 | 0 | 0 | 111.9 | G247 R365 Y366 L367 K373 | G247-E369 WeakPolarHBondContact CA-OE2 3.42Å; G247-E369 PolarHBondContact N-OE2 3.4Å; R365-E369 PolarHBondContact O-N 3.28Å; Y366-E369 PolarHBondContact O-N 3.04Å; L367-E369 VanDerWaalsContact C-N 3.33Å; L367-E369 PolarHBondContact O-N 3.09Å; E369-K373 HydrophobicContact CG-CD 4.16Å; E369-K373 PolarHBondContact O-N 2.78Å; E369-K373 IonicContact OE1-NZ 3.27Å; E369-K373 PolarHBondContact OE1-NZ 2.95Å |
| 370 | S | 72.9 | Confident | 78.5 | Confident | 25 Ų | 25 | 87 Ų | 87 | 18% | 0.175 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -65.8 | -38.7 | 178.1 | 79.4 | 0 | 0 | 0 | 0 | 112.5 | Y366 L367 M368 | Y366-S370 PolarHBondContact O-N 3.46Å; Y366-S370 VanDerWaalsContact O-N 3.17Å; L367-S370 WeakPolarHBondContact O-CB 3.33Å; L367-S370 PolarHBondContact O-N 3.43Å; L367-S370 VanDerWaalsContact O-N 3.1Å; L367-S370 PolarHBondContact O-OG 3.33Å; M368-S370 VanDerWaalsContact C-N 3.34Å |
| 371 | T | 72.1 | Confident | 77.9 | Confident | 99 Ų | 99 | 80.6 Ų | 80.6 | 61% | 0.607 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -74.1 | -45.5 | 177.8 | -2.2 | 0 | 0 | 0 | 0 | 112.1 | L367 M368 | L367-T371 PolarHBondContact O-N 2.94Å; L367-T371 VanDerWaalsContact O-N 3.12Å; L367-T371 PolarHBondContact O-OG1 3.44Å; M368-T371 PolarHBondContact O-N 3.31Å |
| 372 | N | 66.3 | Low | 77.4 | Confident | 130 Ų | 130 | 78 Ų | 78 | 70% | 0.695 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -85.8 | -34.3 | -168.5 | -67.5 | -19.1 | 0 | 0 | 0 | 113.7 | M368 | M368-N372 VanDerWaalsContact O-CB 3.29Å; M368-N372 WeakPolarHBondContact O-CB 3.29Å; M368-N372 PolarHBondContact O-N 2.96Å; M368-N372 PolarHBondContact O-ND2 3.35Å |
| 373 | K | 64.4 | Low | 77 | Confident | 113 Ų | 113 | 80.5 Ų | 80.5 | 49% | 0.491 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -105.8 | -8.2 | -174.6 | -60.2 | -172.3 | -165.5 | 159.4 | 0 | 113.7 | E369 K375 | E369-K373 HydrophobicContact CG-CD 4.16Å; E369-K373 PolarHBondContact O-N 2.78Å; E369-K373 IonicContact OE1-NZ 3.27Å; E369-K373 PolarHBondContact OE1-NZ 2.95Å; K373-K375 HydrophobicContact CB-CB 4.43Å; K373-K375 HydrophobicContact CB-CG 4.22Å; K373-K375 PolarHBondContact O-N 3.3Å; K373-K375 VanDerWaalsContact O-N 3.09Å |
| 374 | G | 58.8 | Low | 76.7 | Confident | 53 Ų | 53 | 80.5 Ų | 80.5 | 55% | 0.546 | 41% | 0.406 | S | S | . | . | trans | 59.3 | 17.7 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | R376 | G374-R376 PolarHBondContact O-N 3.43Š| ||
| 375 | K | 64.7 | Low | 76.3 | Confident | 96 Ų | 96 | 75 Ų | 75 | 42% | 0.417 | 39% | 0.385 | S | S | . | . | trans | -85 | 82.1 | 174 | -74.1 | -170.9 | 178.1 | -173 | 0 | 107.7 | S272 K373 | S272-K375 PolarHBondContact OG-NZ 2.81Å; K373-K375 HydrophobicContact CB-CB 4.43Å; K373-K375 HydrophobicContact CB-CG 4.22Å; K373-K375 PolarHBondContact O-N 3.3Å; K373-K375 VanDerWaalsContact O-N 3.09Å | ||
| 376 | R | 64.1 | Low | 76.1 | Confident | 213 Ų | 213 | 73 Ų | 73 | 80% | 0.804 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -88.2 | 121.8 | 170.4 | -105 | -175.3 | 177.6 | -175.4 | -0.4 | 109.6 | G374 | G374-R376 PolarHBondContact O-N 3.43Š|
| 377 | I | 71.7 | Confident | 75.7 | Confident | 18 Ų | 18 | 70.6 Ų | 70.6 | 9% | 0.092 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -93.4 | 126.9 | 174.7 | -56.3 | 160.2 | 0 | 0 | 0 | 105.9 | P246 I324 Y366 S379 V381 | P246-I377 HydrophobicContact CB-CD1 3.19Å; P246-I377 HydrophobicContact CG-CD1 3.96Å; I324-I377 HydrophobicContact CD1-CB 4.3Å; I324-I377 HydrophobicContact CD1-CD1 3.14Å; I324-I377 HydrophobicContact CD1-CG1 3.54Å; I324-I377 HydrophobicContact CD1-CG2 3.81Å; Y366-I377 HydrophobicContact CE2-CD1 4.02Å; Y366-I377 PolarHBondContact OH-O 3.11Å; I377-S379 PolarHBondContact O-N 3.39Å; I377-V381 HydrophobicContact CG2-CB 4.3Å; I377-V381 HydrophobicContact CG2-CG1 4.22Å |
| 378 | P | 76 | Confident | 74.8 | Confident | 70 Ų | 70 | 68.1 Ų | 68.1 | 46% | 0.455 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -52.4 | 135 | 175.9 | -25.8 | 34.4 | 0 | 0 | 0 | 110.4 | E380 V381 L382 | P378-E380 PolarHBondContact O-N 3.24Å; P378-V381 HydrophobicContact CB-CB 4.48Å; P378-V381 HydrophobicContact CB-CG2 4.11Å; P378-V381 HydrophobicContact CG-CG2 4.34Å; P378-V381 PolarHBondContact O-N 2.95Å; P378-V381 VanDerWaalsContact O-N 3.1Å; P378-L382 PolarHBondContact O-N 2.87Å; P378-L382 VanDerWaalsContact O-N 3.13Å |
| 379 | S | 79.9 | Confident | 74.5 | Confident | 80 Ų | 80 | 65.2 Ų | 65.2 | 56% | 0.559 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -57.2 | -37.7 | -177.9 | 47.1 | 0 | 0 | 0 | 0 | 111.7 | I377 V381 L382 M383 | I377-S379 PolarHBondContact O-N 3.39Å; S379-V381 PolarHBondContact O-N 2.93Å; S379-L382 PolarHBondContact O-N 3.22Å; S379-M383 WeakPolarHBondContact O-CB 3.46Å; S379-M383 VanDerWaalsContact O-CG 3.28Å; S379-M383 WeakPolarHBondContact O-CG 3.24Å; S379-M383 PolarHBondContact O-N 3.47Å |
| 380 | E | 78.9 | Confident | 75 | Confident | 156 Ų | 156 | 63.8 Ų | 63.8 | 73% | 0.729 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -56.1 | -47.7 | 176 | -68.1 | 160.9 | -170.5 | 0 | 0 | 111.9 | P378 L382 M383 E384 | P378-E380 PolarHBondContact O-N 3.24Å; E380-L382 PolarHBondContact O-N 3.46Å; E380-M383 PolarHBondContact O-N 2.96Å; E380-E384 PolarHBondContact O-N 3.17Å |
| 381 | V | 77.6 | Confident | 75.9 | Confident | 41 Ų | 41 | 65.6 Ų | 65.6 | 25% | 0.248 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65 | -41.9 | 178.3 | 175.6 | 0 | 0 | 0 | 0 | 110.8 | I377 P378 S379 E384 M385 | I377-V381 HydrophobicContact CG2-CB 4.3Å; I377-V381 HydrophobicContact CG2-CG1 4.22Å; P378-V381 HydrophobicContact CB-CB 4.48Å; P378-V381 HydrophobicContact CB-CG2 4.11Å; P378-V381 HydrophobicContact CG-CG2 4.34Å; P378-V381 PolarHBondContact O-N 2.95Å; P378-V381 VanDerWaalsContact O-N 3.1Å; S379-V381 PolarHBondContact O-N 2.93Å; V381-E384 PolarHBondContact O-N 3.3Å; V381-M385 HydrophobicContact CG1-CE 3.63Å; V381-M385 VanDerWaalsContact O-CG 3.32Å; V381-M385 WeakPolarHBondContact O-CG 3.29Å; V381-M385 PolarHBondContact O-N 3.4Å |
| 382 | L | 83.4 | Confident | 77 | Confident | 17 Ų | 17 | 62 Ų | 62 | 9% | 0.089 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.3 | -42.2 | 177.1 | -176.9 | 64.1 | 0 | 0 | 0 | 111.5 | P246 Y366 P378 S379 E380 E384 M385 K386 | P246-L382 HydrophobicContact CG-CD1 4.4Å; Y366-L382 HydrophobicContact CE1-CD2 4.3Å; Y366-L382 HydrophobicContact CE2-CD2 4.07Å; P378-L382 PolarHBondContact O-N 2.87Å; P378-L382 VanDerWaalsContact O-N 3.13Å; S379-L382 PolarHBondContact O-N 3.22Å; E380-L382 PolarHBondContact O-N 3.46Å; L382-E384 VanDerWaalsContact C-N 3.35Å; L382-M385 WeakPolarHBondContact O-CB 3.47Å; L382-M385 PolarHBondContact O-N 3.21Å; L382-K386 WeakPolarHBondContact O-CB 3.13Å; L382-K386 WeakPolarHBondContact O-CG 3.36Å; L382-K386 PolarHBondContact O-N 2.87Å |
| 383 | M | 85.8 | Confident | 78.3 | Confident | 63 Ų | 63 | 55.8 Ų | 55.8 | 31% | 0.31 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.1 | -36.5 | 177.6 | -73.5 | -54.1 | -178 | 0 | 0 | 112.3 | S379 E380 K386 G387 G424 S427 | S379-M383 WeakPolarHBondContact O-CB 3.46Å; S379-M383 VanDerWaalsContact O-CG 3.28Å; S379-M383 WeakPolarHBondContact O-CG 3.24Å; S379-M383 PolarHBondContact O-N 3.47Å; E380-M383 PolarHBondContact O-N 2.96Å; M383-K386 PolarHBondContact O-N 3.19Å; M383-K386 HydrophobicContact SD-CD 4.33Å; M383-G387 PolarHBondContact O-N 3.42Å; M383-G424 WeakPolarHBondContact O-CA 3.2Å; M383-S427 WeakPolarHBondContact CB-OG 3.5Å |
| 384 | E | 82.6 | Confident | 79.7 | Confident | 59 Ų | 59 | 55.9 Ų | 55.9 | 28% | 0.276 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.5 | -44.8 | 172.3 | -170.1 | -170.3 | 165 | 0 | 0 | 111.5 | E380 V381 L382 K386 G387 S388 N389 | E380-E384 PolarHBondContact O-N 3.17Å; V381-E384 PolarHBondContact O-N 3.3Å; L382-E384 VanDerWaalsContact C-N 3.35Å; E384-K386 VanDerWaalsContact C-N 3.32Å; E384-K386 PolarHBondContact O-N 3.36Å; E384-G387 PolarHBondContact O-N 3.35Å; E384-S388 PolarHBondContact O-N 3.18Å; E384-S388 VanDerWaalsContact O-N 3.16Å; E384-N389 PolarHBondContact O-ND2 3.44Å |
| 385 | M | 81.9 | Confident | 81.3 | Confident | 13 Ų | 13 | 58 Ų | 58 | 6% | 0.064 | 29% | 0.292 | C | S | . | . | I | π-helix | trans | -58.7 | -45.5 | 175.1 | -70.4 | -178.1 | -172.2 | 0 | 0 | 111.6 | L245 P246 I324 T331 V381 L382 N389 F390 | L245-M385 HydrophobicContact CD2-CB 4.14Å; P246-M385 HydrophobicContact CG-SD 3.67Å; I324-M385 HydrophobicContact CD1-CE 4.17Å; I324-M385 HydrophobicContact CG1-CE 3.51Å; I324-M385 HydrophobicContact CG1-SD 4.47Å; T331-M385 HydrophobicContact CG2-CE 3.32Å; T331-M385 HydrophobicContact CG2-CG 4.34Å; T331-M385 HydrophobicContact CG2-SD 3.83Å; V381-M385 HydrophobicContact CG1-CE 3.63Å; V381-M385 VanDerWaalsContact O-CG 3.32Å; V381-M385 WeakPolarHBondContact O-CG 3.29Å; V381-M385 PolarHBondContact O-N 3.4Å; L382-M385 WeakPolarHBondContact O-CB 3.47Å; L382-M385 PolarHBondContact O-N 3.21Å; M385-N389 PolarHBondContact O-N 2.99Å; M385-F390 WeakPolarHBondContact O-CB 3.49Å; M385-F390 PolarHBondContact O-N 3.4Å |
| 386 | K | 87 | Confident | 82.6 | Confident | 20 Ų | 20 | 61.8 Ų | 61.8 | 9% | 0.087 | 31% | 0.312 | C | S | . | . | I | π-helix | trans | -63.4 | -50.2 | 176.2 | -79.9 | -170 | 167 | -169.4 | 0 | 112.3 | L245 L382 M383 E384 Y420 N421 E423 | L245-K386 HydrophobicContact CD1-CG 3.89Å; L245-K386 HydrophobicContact CD2-CG 4.35Å; L382-K386 WeakPolarHBondContact O-CB 3.13Å; L382-K386 WeakPolarHBondContact O-CG 3.36Å; L382-K386 PolarHBondContact O-N 2.87Å; M383-K386 PolarHBondContact O-N 3.19Å; M383-K386 HydrophobicContact SD-CD 4.33Å; E384-K386 VanDerWaalsContact C-N 3.32Å; E384-K386 PolarHBondContact O-N 3.36Å; K386-Y420 WeakPolarHBondContact CB-O 3.47Å; K386-Y420 HydrophobicContact CD-CD1 4.33Å; K386-Y420 HydrophobicContact CD-CG 4.39Å; K386-Y420 HydrophobicContact CG-CG 4.39Å; K386-N421 VanDerWaalsContact O-CA 3.28Å; K386-N421 WeakPolarHBondContact O-CA 3.24Å; K386-N421 PolarHBondContact O-ND2 3.23Å; K386-E423 IonicContact NZ-OE2 2.69Å; K386-E423 PolarHBondContact NZ-OE2 3.32Å |
| 387 | G | 74.5 | Confident | 83.8 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | I | π-helix | trans | -83.6 | -23.5 | -164.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | M383 E384 G424 K425 | M383-G387 PolarHBondContact O-N 3.42Å; E384-G387 PolarHBondContact O-N 3.35Å; G387-G424 VanDerWaalsContact CA-CA 3.49Å; G387-K425 WeakPolarHBondContact O-CG 3.49Å |
| 388 | S | 67.5 | Low | 84.6 | Confident | 58 Ų | 58 | 56 Ų | 56 | 41% | 0.406 | 31% | 0.308 | S | S | . | . | I | π-helix | trans | -138.7 | -7.3 | -176.5 | -66.9 | 0 | 0 | 0 | 0 | 115.7 | E384 R428 | E384-S388 PolarHBondContact O-N 3.18Å; E384-S388 VanDerWaalsContact O-N 3.16Å; S388-R428 PolarHBondContact OG-NH1 3.29Å; S388-R428 PolarHBondContact OG-NH2 3.34Å |
| 389 | N | 76.1 | Confident | 85.2 | Confident | 13 Ų | 13 | 54.4 Ų | 54.4 | 7% | 0.07 | 29% | 0.294 | C | S | . | . | I | π-helix | trans | -115.4 | -32.8 | -174.8 | -66.1 | -43.7 | 0 | 0 | 0 | 113 | L329 V333 C334 E384 M385 T391 | L329-N389 WeakPolarHBondContact CD2-ND2 3.1Å; L329-N389 WeakPolarHBondContact CD2-OD1 3.35Å; V333-N389 CarbonylContact C-O 3.57Å; V333-N389 HydrophobicContact CG2-CB 4.26Å; C334-N389 VanDerWaalsContact CA-O 3.24Å; C334-N389 WeakPolarHBondContact CA-O 3.32Å; C334-N389 HydrophobicContact CB-CB 4.09Å; C334-N389 PolarHBondContact N-O 3.34Å; E384-N389 PolarHBondContact O-ND2 3.44Å; M385-N389 PolarHBondContact O-N 2.99Å; N389-T391 PolarHBondContact O-N 3.15Å; N389-T391 VanDerWaalsContact O-N 3.11Å |
| 390 | F | 90 | Very high | 86 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.009 | 27% | 0.27 | C | S | . | . | trans | -79 | 105.6 | -172.7 | -162.5 | -177.5 | 0 | 0 | 0 | 112.4 | I243 L245 V333 V356 M385 L392 V417 Y420 N421 | I243-F390 HydrophobicContact CG2-CE2 4.05Å; L245-F390 HydrophobicContact CD1-CD1 4.16Å; L245-F390 HydrophobicContact CD1-CE1 4.32Å; L245-F390 HydrophobicContact CD2-CD1 3.8Å; L245-F390 HydrophobicContact CD2-CE1 4.34Å; L245-F390 HydrophobicContact CD2-CG 4.48Å; L245-F390 HydrophobicContact CG-CD1 3.64Å; L245-F390 HydrophobicContact CG-CE1 3.72Å; V333-F390 HydrophobicContact CB-CB 4.05Å; V333-F390 HydrophobicContact CB-CD2 3.57Å; V333-F390 HydrophobicContact CB-CE2 4.2Å; V333-F390 HydrophobicContact CB-CG 3.88Å; V333-F390 HydrophobicContact CG1-CD1 4.43Å; V333-F390 HydrophobicContact CG1-CD2 3.73Å; V333-F390 HydrophobicContact CG1-CE2 3.89Å; V333-F390 HydrophobicContact CG1-CG 4.02Å; V333-F390 HydrophobicContact CG1-CZ 4.31Å; V333-F390 HydrophobicContact CG2-CB 4.36Å; V356-F390 HydrophobicContact CG2-CE1 4.29Å; V356-F390 HydrophobicContact CG2-CZ 3.74Å; M385-F390 WeakPolarHBondContact O-CB 3.49Å; M385-F390 PolarHBondContact O-N 3.4Å; F390-L392 HydrophobicContact CE2-CD2 4.16Å; F390-L392 HydrophobicContact CZ-CD2 4.45Å; F390-V417 HydrophobicContact CB-CG1 4.47Å; F390-V417 HydrophobicContact CD1-CG1 4.32Å; F390-V417 HydrophobicContact CD1-CG2 4.06Å; F390-V417 HydrophobicContact CD2-CG1 4.36Å; F390-V417 HydrophobicContact CD2-CG2 4.5Å; F390-V417 HydrophobicContact CE1-CG2 3.71Å; F390-V417 HydrophobicContact CE2-CG2 4.19Å; F390-V417 HydrophobicContact CG-CG1 4.12Å; F390-V417 HydrophobicContact CG-CG2 4.46Å; F390-V417 HydrophobicContact CZ-CG2 3.79Å; F390-V417 WeakPolarHBondContact O-CG1 3.49Å; F390-Y420 HydrophobicContact CD1-CD2 4.12Å; F390-Y420 HydrophobicContact CE1-CD2 4.21Å; F390-Y420 HydrophobicContact CE1-CE2 4.5Å; F390-N421 PolarHBondContact O-ND2 3.38Å | ||
| 391 | T | 91.5 | Very high | 86.8 | Confident | 62 Ų | 62 | 47.8 Ų | 47.8 | 38% | 0.38 | 26% | 0.257 | S | S | . | . | trans | -127.1 | 134.1 | 170.3 | -49.9 | 0 | 0 | 0 | 0 | 109.3 | V333 P335 R338 N389 | V333-T391 PolarHBondContact O-N 3.23Å; P335-T391 HydrophobicContact CG-CG2 4.35Å; R338-T391 PolarHBondContact NH1-O 3.5Å; N389-T391 PolarHBondContact O-N 3.15Å; N389-T391 VanDerWaalsContact O-N 3.11Å | ||
| 392 | L | 94.3 | Very high | 87.7 | Confident | 24 Ų | 24 | 49.2 Ų | 49.2 | 13% | 0.126 | 26% | 0.26 | C | S | . | . | trans | -66.8 | 135.5 | 173.2 | -65.5 | 179 | 0 | 0 | 0 | 110.1 | I354 V356 F390 Y405 A413 V417 | I354-L392 HydrophobicContact CG2-CD2 3.89Å; V356-L392 HydrophobicContact CG2-CD2 4.24Å; F390-L392 HydrophobicContact CE2-CD2 4.16Å; F390-L392 HydrophobicContact CZ-CD2 4.45Å; L392-Y405 HydrophobicContact CD1-CE1 4.24Å; L392-Y405 HydrophobicContact CD2-CE1 4.27Å; L392-A413 HydrophobicContact CD1-CB 4.1Å; L392-V417 HydrophobicContact CD1-CG2 4.4Å; L392-V417 HydrophobicContact CD2-CG2 3.93Å; L392-V417 HydrophobicContact CG-CB 4.47Å; L392-V417 HydrophobicContact CG-CG2 4.04Å | ||
| 393 | P | 94.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | trans | -68.8 | 149 | 177.8 | 32.1 | -36.9 | 0 | 0 | 0 | 110.9 | I243 A352 I354 E397 F400 I403 | I243-P393 HydrophobicContact CD1-CB 4.24Å; I243-P393 HydrophobicContact CD1-CG 3.68Å; A352-P393 HydrophobicContact CB-CG 4.19Å; I354-P393 HydrophobicContact CD1-CG 3.85Å; I354-P393 HydrophobicContact CG1-CG 4.03Å; P393-E397 WeakPolarHBondContact CA-OE1 3.37Å; P393-F400 HydrophobicContact CB-CD2 3.99Å; P393-F400 HydrophobicContact CB-CE2 3.73Å; P393-I403 HydrophobicContact CB-CD1 4.08Å; P393-I403 HydrophobicContact CG-CD1 4.14Å; P393-I403 HydrophobicContact CG-CG2 4.32Å; P393-I403 WeakPolarHBondContact O-CD1 3.5Å | ||
| 394 | K | 93.5 | Very high | 88.9 | Confident | 115 Ų | 115 | 48.4 Ų | 48.4 | 50% | 0.5 | 26% | 0.258 | S | S | . | . | trans | -118.4 | 147.2 | 168.3 | -61.8 | -176.2 | 176.5 | -171.4 | 0 | 110.6 | E396 E397 | K394-E396 HydrophobicContact CB-CB 4.49Å; K394-E396 PolarHBondContact O-N 3.2Å; K394-E397 HydrophobicContact CB-CG 4.36Å; K394-E397 PolarHBondContact N-OE1 3.33Å; K394-E397 VanDerWaalsContact N-OE1 3.16Å; K394-E397 VanDerWaalsContact O-CB 3.29Å; K394-E397 WeakPolarHBondContact O-CB 3.44Å; K394-E397 WeakPolarHBondContact O-CG 3.48Å; K394-E397 PolarHBondContact O-N 3.37Å | ||
| 395 | L | 93.4 | Very high | 89.6 | Confident | 96 Ų | 96 | 46.7 Ų | 46.7 | 50% | 0.503 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -59.4 | -32.7 | 175.4 | -72.7 | 173.7 | 0 | 0 | 0 | 111.8 | E397 G398 F400 I403 | L395-E397 PolarHBondContact O-N 3.18Å; L395-E397 VanDerWaalsContact O-N 3.11Å; L395-G398 PolarHBondContact O-N 2.72Å; L395-F400 HydrophobicContact CD2-CB 4.44Å; L395-I403 HydrophobicContact CD2-CD1 3.99Å; L395-I403 HydrophobicContact CD2-CG1 3.78Å; L395-I403 HydrophobicContact CG-CD1 3.91Å; L395-I403 HydrophobicContact CG-CG1 4.14Å |
| 396 | E | 91.1 | Very high | 90.3 | Very high | 177 Ų | 177 | 48 Ų | 48 | 83% | 0.827 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -59 | -19.8 | 175.4 | -61.4 | 169.8 | -175.3 | 0 | 0 | 113.7 | K394 G398 | K394-E396 HydrophobicContact CB-CB 4.49Å; K394-E396 PolarHBondContact O-N 3.2Å; E396-G398 PolarHBondContact O-N 3.26Å |
| 397 | E | 88.4 | Confident | 90.6 | Very high | 57 Ų | 57 | 49.4 Ų | 49.4 | 27% | 0.266 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -66.7 | -17.5 | 174.1 | -64.3 | 175.4 | -159.5 | 0 | 0 | 112.3 | R338 P393 K394 L395 H399 | R338-E397 IonicContact CZ-OE2 2.81Å; R338-E397 IonicContact NE-OE2 2.76Å; R338-E397 IonicContact NH2-OE1 3.44Å; R338-E397 PolarHBondContact NH2-OE1 3.02Å; R338-E397 IonicContact NH2-OE2 2.98Å; R338-E397 PolarHBondContact NH2-OE2 2.88Å; P393-E397 WeakPolarHBondContact CA-OE1 3.37Å; K394-E397 HydrophobicContact CB-CG 4.36Å; K394-E397 PolarHBondContact N-OE1 3.33Å; K394-E397 VanDerWaalsContact N-OE1 3.16Å; K394-E397 VanDerWaalsContact O-CB 3.29Å; K394-E397 WeakPolarHBondContact O-CB 3.44Å; K394-E397 WeakPolarHBondContact O-CG 3.48Å; K394-E397 PolarHBondContact O-N 3.37Å; L395-E397 PolarHBondContact O-N 3.18Å; L395-E397 VanDerWaalsContact O-N 3.11Å; E397-H399 PolarHBondContact O-CE1 3.43Å; E397-H399 PolarHBondContact O-N 2.95Å |
| 398 | G | 88.9 | Confident | 91.6 | Very high | 53 Ų | 53 | 49.6 Ų | 49.6 | 55% | 0.546 | 26% | 0.264 | S | S | . | . | S | Bend | trans | 71.8 | 11.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L395 E396 | L395-G398 PolarHBondContact O-N 2.72Å; E396-G398 PolarHBondContact O-N 3.26Å |
| 399 | H | 89.4 | Confident | 93 | Very high | 36 Ų | 36 | 52.7 Ų | 52.7 | 17% | 0.167 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -97.8 | -15.1 | -179.6 | -59.3 | -32.2 | 0 | 0 | 0 | 113.6 | K339 L342 R350 E397 | K339-H399 WeakPolarHBondContact CB-NE2 3.48Å; K339-H399 WeakPolarHBondContact CG-NE2 3.47Å; L342-H399 HydrophobicContact CD1-CB 4.33Å; R350-H399 WeakPolarHBondContact CD-O 3.35Å; E397-H399 PolarHBondContact O-CE1 3.43Å; E397-H399 PolarHBondContact O-N 2.95Å |
| 400 | F | 95.7 | Very high | 93.9 | Very high | 11 Ų | 11 | 57.3 Ų | 57.3 | 5% | 0.048 | 29% | 0.293 | C | S | . | . | trans | -129.6 | 143.4 | -176.5 | -63.8 | -70 | 0 | 0 | 0 | 110.4 | M241 I243 L342 R350 A352 P393 L395 I403 | M241-F400 HydrophobicContact CB-CE1 3.95Å; M241-F400 HydrophobicContact CB-CZ 4.31Å; M241-F400 HydrophobicContact SD-CZ 4.03Å; I243-F400 HydrophobicContact CD1-CE2 4.42Å; I243-F400 HydrophobicContact CD1-CZ 4.09Å; L342-F400 HydrophobicContact CD1-CD1 3.98Å; L342-F400 HydrophobicContact CD1-CE1 3.24Å; L342-F400 HydrophobicContact CD1-CE2 4.16Å; L342-F400 HydrophobicContact CD1-CZ 3.35Å; R350-F400 HydrophobicContact CB-CD1 4.4Å; R350-F400 WeakPolarHBondContact O-CA 3.16Å; A352-F400 HydrophobicContact CB-CD1 3.65Å; A352-F400 HydrophobicContact CB-CD2 4.1Å; A352-F400 HydrophobicContact CB-CE1 3.59Å; A352-F400 HydrophobicContact CB-CE2 4.06Å; A352-F400 HydrophobicContact CB-CG 3.9Å; A352-F400 HydrophobicContact CB-CZ 3.8Å; P393-F400 HydrophobicContact CB-CD2 3.99Å; P393-F400 HydrophobicContact CB-CE2 3.73Å; L395-F400 HydrophobicContact CD2-CB 4.44Å; F400-I403 HydrophobicContact CB-CG1 4.21Å | ||
| 401 | N | 96.3 | Very high | 94.1 | Very high | 85 Ų | 85 | 63.2 Ų | 63.2 | 46% | 0.455 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -86.3 | -33 | 168.4 | -58.8 | 92.1 | 0 | 0 | 0 | 110.8 | R350 | R350-N401 PolarHBondContact N-OD1 3.02Å; R350-N401 PolarHBondContact O-N 3.36Å |
| 402 | E | 96.8 | Very high | 94.4 | Very high | 71 Ų | 71 | 62.3 Ų | 62.3 | 33% | 0.332 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 146.2 | -177.5 | -164.9 | -157.2 | 149.9 | 0 | 0 | 110.9 | R350 R351 A352 T404 | R350-E402 PolarHBondContact O-N 3.33Å; R351-E402 CarbonylContact C-O 3.53Å; R351-E402 WeakPolarHBondContact CA-O 3.42Å; R351-E402 VanDerWaalsContact CD-OE2 3.29Å; R351-E402 WeakPolarHBondContact CD-OE2 3.44Å; R351-E402 HydrophobicContact CG-CB 4.18Å; R351-E402 IonicContact CZ-OE1 2.84Å; R351-E402 VanDerWaalsContact CZ-OE1 3.23Å; R351-E402 IonicContact CZ-OE2 2.98Å; R351-E402 IonicContact NE-OE1 3.48Å; R351-E402 PolarHBondContact NE-OE1 3.45Å; R351-E402 IonicContact NE-OE2 2.8Å; R351-E402 PolarHBondContact NE-OE2 3.1Å; R351-E402 IonicContact NH1-OE2 3.83Å; R351-E402 IonicContact NH2-OE1 3.54Å; R351-E402 PolarHBondContact NH2-OE1 3.42Å; A352-E402 PolarHBondContact N-O 2.9Å; E402-T404 PolarHBondContact OE1-OG1 3.17Å |
| 403 | I | 97.4 | Very high | 94.5 | Very high | 36 Ų | 36 | 61.1 Ų | 61.1 | 19% | 0.185 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 123.9 | 175.6 | -61.9 | -178.3 | 0 | 0 | 0 | 108.3 | A352 I354 P393 L395 F400 Y405 | A352-I403 HydrophobicContact CB-CG1 4.1Å; A352-I403 HydrophobicContact CB-CG2 4.49Å; I354-I403 HydrophobicContact CD1-CG2 3.59Å; I354-I403 HydrophobicContact CG1-CG2 4.37Å; P393-I403 HydrophobicContact CB-CD1 4.08Å; P393-I403 HydrophobicContact CG-CD1 4.14Å; P393-I403 HydrophobicContact CG-CG2 4.32Å; P393-I403 WeakPolarHBondContact O-CD1 3.5Å; L395-I403 HydrophobicContact CD2-CD1 3.99Å; L395-I403 HydrophobicContact CD2-CG1 3.78Å; L395-I403 HydrophobicContact CG-CD1 3.91Å; L395-I403 HydrophobicContact CG-CG1 4.14Å; F400-I403 HydrophobicContact CB-CG1 4.21Å; I403-Y405 HydrophobicContact CG2-CD2 4.21Å; I403-Y405 HydrophobicContact CG2-CE2 3.6Å |
| 404 | T | 97 | Very high | 94.6 | Very high | 27 Ų | 27 | 62 Ų | 62 | 17% | 0.166 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 130.2 | -178.7 | -44.3 | 0 | 0 | 0 | 0 | 111.1 | R351 A352 I354 E402 I406 | R351-T404 PolarHBondContact NE-OG1 2.89Å; R351-T404 PolarHBondContact NH2-OG1 3.47Å; A352-T404 PolarHBondContact O-N 3.47Å; I354-T404 PolarHBondContact N-O 3.32Å; E402-T404 PolarHBondContact OE1-OG1 3.17Å; T404-I406 HydrophobicContact CG2-CD1 4.04Å |
| 405 | Y | 97.5 | Very high | 94.7 | Very high | 24 Ų | 24 | 60.4 Ų | 60.4 | 9% | 0.094 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 119.1 | 176.7 | -73.1 | -92.5 | 0 | 0 | 0 | 110.3 | I354 L392 I403 L408 E410 A413 | I354-Y405 HydrophobicContact CB-CD1 3.85Å; I354-Y405 HydrophobicContact CB-CE1 3.97Å; I354-Y405 HydrophobicContact CB-CG 4.38Å; I354-Y405 HydrophobicContact CG1-CD1 4.46Å; I354-Y405 HydrophobicContact CG1-CE1 4.14Å; I354-Y405 HydrophobicContact CG2-CD1 3.69Å; I354-Y405 HydrophobicContact CG2-CE1 3.65Å; L392-Y405 HydrophobicContact CD1-CE1 4.24Å; L392-Y405 HydrophobicContact CD2-CE1 4.27Å; I403-Y405 HydrophobicContact CG2-CD2 4.21Å; I403-Y405 HydrophobicContact CG2-CE2 3.6Å; Y405-L408 WeakPolarHBondContact CB-O 3.31Å; Y405-L408 WeakPolarHBondContact CD1-O 3.39Å; Y405-E410 HydrophobicContact CD2-CB 4.09Å; Y405-E410 HydrophobicContact CE1-CB 4.2Å; Y405-E410 HydrophobicContact CE2-CB 3.61Å; Y405-E410 HydrophobicContact CE2-CG 4Å; Y405-A413 HydrophobicContact CD1-CB 4.07Å; Y405-A413 HydrophobicContact CE1-CB 4.01Å |
| 406 | I | 95.1 | Very high | 94.8 | Very high | 41 Ų | 41 | 55.9 Ų | 55.9 | 21% | 0.21 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -88.8 | -32.5 | -169.4 | -59 | -58.7 | 0 | 0 | 0 | 114 | W253 V353 I354 I355 T404 | W253-I406 HydrophobicContact CZ2-CD1 4Å; V353-I406 HydrophobicContact CG1-CD1 3.9Å; V353-I406 HydrophobicContact CG1-CG1 3.52Å; I354-I406 PolarHBondContact O-N 2.88Å; I354-I406 VanDerWaalsContact O-N 3.1Å; I355-I406 HydrophobicContact CG1-CB 4.25Å; I355-I406 HydrophobicContact CG1-CG1 4.2Å; T404-I406 HydrophobicContact CG2-CD1 4.04Å |
| 407 | E | 93.8 | Very high | 94.9 | Very high | 48 Ų | 48 | 47.8 Ų | 47.8 | 22% | 0.224 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -121.4 | -68 | -173.7 | -68.6 | -173.9 | -128.1 | 0 | 0 | 111.7 | P357 R365 | P357-E407 WeakPolarHBondContact CB-OE2 3.49Å; R365-E407 IonicContact CZ-OE1 3.25Å; R365-E407 IonicContact CZ-OE2 3.01Å; R365-E407 IonicContact NH1-OE1 3.9Å; R365-E407 PolarHBondContact NH1-OE1 3.03Å; R365-E407 IonicContact NH1-OE2 3.77Å; R365-E407 PolarHBondContact NH1-OE2 2.81Å; R365-E407 IonicContact NH2-OE1 3.31Å; R365-E407 PolarHBondContact NH2-OE1 3.03Å; R365-E407 IonicContact NH2-OE2 3.85Å; R365-E407 PolarHBondContact NH2-OE2 3.12Å |
| 408 | L | 96.1 | Very high | 95.1 | Very high | 6 Ų | 6 | 49.5 Ų | 49.5 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -93.4 | 134.1 | 169.4 | -65.2 | -179.9 | 0 | 0 | 0 | 109.8 | V356 P358 Y405 D412 A413 V416 I457 | V356-L408 HydrophobicContact CG1-CD1 4.38Å; V356-L408 WeakPolarHBondContact O-CB 3.19Å; V356-L408 VanDerWaalsContact O-CG 3.29Å; V356-L408 WeakPolarHBondContact O-CG 3.36Å; V356-L408 PolarHBondContact O-N 3.45Å; P358-L408 HydrophobicContact CG-CD2 4.15Å; P358-L408 HydrophobicContact CG-CG 4.46Å; Y405-L408 WeakPolarHBondContact CB-O 3.31Å; Y405-L408 WeakPolarHBondContact CD1-O 3.39Å; L408-D412 HydrophobicContact CB-CB 4.42Å; L408-D412 HydrophobicContact CD2-CB 4.38Å; L408-A413 HydrophobicContact CB-CB 4.03Å; L408-V416 HydrophobicContact CD1-CG2 3.74Å; L408-I457 HydrophobicContact CD2-CG2 3.87Å |
| 409 | Q | 96.1 | Very high | 95.3 | Very high | 123 Ų | 123 | 49.9 Ų | 49.9 | 58% | 0.575 | 24% | 0.24 | S | C | * | . | trans | -66 | 163.3 | 172.3 | -60.9 | -54.8 | -44.2 | 0 | 0 | 111 | E411 D412 A413 | Q409-E411 VanDerWaalsContact C-N 3.29Å; Q409-E411 PolarHBondContact O-N 2.85Å; Q409-E411 VanDerWaalsContact O-N 3.12Å; Q409-D412 PolarHBondContact O-N 3.35Å; Q409-A413 VanDerWaalsContact O-CB 3.3Å; Q409-A413 WeakPolarHBondContact O-CB 3.41Å; Q409-A413 PolarHBondContact O-N 2.76Å | ||
| 410 | E | 95.5 | Very high | 95.4 | Very high | 109 Ų | 109 | 48.4 Ų | 48.4 | 51% | 0.509 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -46.6 | -47.6 | -170.6 | -179.8 | 167.6 | -165.7 | 0 | 0 | 114.2 | Y405 G414 | Y405-E410 HydrophobicContact CD2-CB 4.09Å; Y405-E410 HydrophobicContact CE1-CB 4.2Å; Y405-E410 HydrophobicContact CE2-CB 3.61Å; Y405-E410 HydrophobicContact CE2-CG 4Å; E410-G414 PolarHBondContact O-N 3.28Å |
| 411 | E | 95.4 | Very high | 95.3 | Very high | 127 Ų | 127 | 49.5 Ų | 49.5 | 59% | 0.593 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -64.7 | -51.9 | -177.4 | -166.5 | -173.8 | 167 | 0 | 0 | 112.2 | Q409 G414 Y415 | Q409-E411 VanDerWaalsContact C-N 3.29Å; Q409-E411 PolarHBondContact O-N 2.85Å; Q409-E411 VanDerWaalsContact O-N 3.12Å; E411-G414 PolarHBondContact O-N 3.02Å; E411-Y415 HydrophobicContact CG-CE2 3.93Å; E411-Y415 VanDerWaalsContact O-CD2 3.31Å; E411-Y415 WeakPolarHBondContact O-CD2 3.44Å; E411-Y415 PolarHBondContact O-N 3.43Å |
| 412 | D | 96.7 | Very high | 95 | Very high | 42 Ų | 42 | 49.8 Ų | 49.8 | 23% | 0.225 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -70.7 | -33.8 | -179 | -70.5 | -36.4 | 0 | 0 | 0 | 112 | L408 Q409 G414 Y415 V416 K455 I457 | L408-D412 HydrophobicContact CB-CB 4.42Å; L408-D412 HydrophobicContact CD2-CB 4.38Å; Q409-D412 PolarHBondContact O-N 3.35Å; D412-G414 VanDerWaalsContact C-N 3.29Å; D412-G414 PolarHBondContact O-N 3.45Å; D412-Y415 PolarHBondContact O-N 3.01Å; D412-V416 PolarHBondContact O-N 3.16Å; D412-K455 IonicContact OD1-NZ 3.51Å; D412-K455 PolarHBondContact OD1-NZ 3.38Å; D412-I457 HydrophobicContact CB-CD1 4.39Å; D412-I457 HydrophobicContact CB-CG2 4.32Å |
| 413 | A | 96.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.3 | -39.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | V356 L392 Y405 L408 Q409 V416 V417 | V356-A413 HydrophobicContact CB-CB 4.02Å; V356-A413 HydrophobicContact CG1-CB 4.26Å; V356-A413 HydrophobicContact CG2-CB 4.33Å; L392-A413 HydrophobicContact CD1-CB 4.1Å; Y405-A413 HydrophobicContact CD1-CB 4.07Å; Y405-A413 HydrophobicContact CE1-CB 4.01Å; L408-A413 HydrophobicContact CB-CB 4.03Å; Q409-A413 VanDerWaalsContact O-CB 3.3Å; Q409-A413 WeakPolarHBondContact O-CB 3.41Å; Q409-A413 PolarHBondContact O-N 2.76Å; A413-V416 PolarHBondContact O-N 2.79Å; A413-V417 WeakPolarHBondContact O-CG2 3.28Å; A413-V417 PolarHBondContact O-N 3.4Å |
| 414 | G | 95.8 | Very high | 94.2 | Very high | 19 Ų | 19 | 48.4 Ų | 48.4 | 20% | 0.196 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -56.5 | -50 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | E410 E411 D412 V416 V417 E418 | E410-G414 PolarHBondContact O-N 3.28Å; E411-G414 PolarHBondContact O-N 3.02Å; D412-G414 VanDerWaalsContact C-N 3.29Å; D412-G414 PolarHBondContact O-N 3.45Å; G414-V416 VanDerWaalsContact C-N 3.32Å; G414-V416 PolarHBondContact O-N 3.2Å; G414-V417 PolarHBondContact O-N 2.63Å; G414-E418 WeakPolarHBondContact O-CG 3.46Å; G414-E418 PolarHBondContact O-N 2.85Å |
| 415 | Y | 95.6 | Very high | 93.7 | Very high | 80 Ų | 80 | 53 Ų | 53 | 31% | 0.314 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.8 | -39.6 | 177.2 | -70.4 | -54.8 | 0 | 0 | 0 | 113.4 | E411 D412 R419 K455 | E411-Y415 HydrophobicContact CG-CE2 3.93Å; E411-Y415 VanDerWaalsContact O-CD2 3.31Å; E411-Y415 WeakPolarHBondContact O-CD2 3.44Å; E411-Y415 PolarHBondContact O-N 3.43Å; D412-Y415 PolarHBondContact O-N 3.01Å; Y415-R419 WeakPolarHBondContact O-CG 3.25Å; Y415-R419 PolarHBondContact O-N 3.49Å; Y415-K455 HydrophobicContact CE2-CD 4.43Å |
| 416 | V | 95 | Very high | 93.2 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.006 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.4 | -42.6 | 176.9 | 172.8 | 0 | 0 | 0 | 0 | 111 | V356 E359 L408 D412 A413 G414 R419 Y420 I457 | V356-V416 HydrophobicContact CG1-CB 3.93Å; V356-V416 HydrophobicContact CG1-CG1 3.69Å; E359-V416 HydrophobicContact CG-CG1 3.99Å; E359-V416 HydrophobicContact CG-CG2 4.42Å; L408-V416 HydrophobicContact CD1-CG2 3.74Å; D412-V416 PolarHBondContact O-N 3.16Å; A413-V416 PolarHBondContact O-N 2.79Å; G414-V416 VanDerWaalsContact C-N 3.32Å; G414-V416 PolarHBondContact O-N 3.2Å; V416-R419 PolarHBondContact O-N 3.4Å; V416-Y420 HydrophobicContact CG1-CD2 4.16Å; V416-Y420 HydrophobicContact CG1-CE1 3.99Å; V416-Y420 HydrophobicContact CG1-CE2 3.51Å; V416-Y420 WeakPolarHBondContact CG1-OH 3.42Å; V416-Y420 PolarHBondContact O-N 3.09Å; V416-I457 HydrophobicContact CG2-CD1 3.72Å |
| 417 | V | 94.4 | Very high | 92.5 | Very high | 7 Ų | 7 | 59.2 Ų | 59.2 | 4% | 0.042 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.2 | -38.3 | 178 | 172.8 | 0 | 0 | 0 | 0 | 111.7 | V356 F390 L392 A413 G414 R419 Y420 N421 | V356-V417 HydrophobicContact CG1-CG2 4.46Å; V356-V417 HydrophobicContact CG2-CG2 4.17Å; F390-V417 HydrophobicContact CB-CG1 4.47Å; F390-V417 HydrophobicContact CD1-CG1 4.32Å; F390-V417 HydrophobicContact CD1-CG2 4.06Å; F390-V417 HydrophobicContact CD2-CG1 4.36Å; F390-V417 HydrophobicContact CD2-CG2 4.5Å; F390-V417 HydrophobicContact CE1-CG2 3.71Å; F390-V417 HydrophobicContact CE2-CG2 4.19Å; F390-V417 HydrophobicContact CG-CG1 4.12Å; F390-V417 HydrophobicContact CG-CG2 4.46Å; F390-V417 HydrophobicContact CZ-CG2 3.79Å; F390-V417 WeakPolarHBondContact O-CG1 3.49Å; L392-V417 HydrophobicContact CD1-CG2 4.4Å; L392-V417 HydrophobicContact CD2-CG2 3.93Å; L392-V417 HydrophobicContact CG-CB 4.47Å; L392-V417 HydrophobicContact CG-CG2 4.04Å; A413-V417 WeakPolarHBondContact O-CG2 3.28Å; A413-V417 PolarHBondContact O-N 3.4Å; G414-V417 PolarHBondContact O-N 2.63Å; V417-R419 PolarHBondContact O-N 3.49Å; V417-Y420 WeakPolarHBondContact O-CB 3.44Å; V417-Y420 PolarHBondContact O-N 2.9Å; V417-N421 VanDerWaalsContact O-CG 3.23Å; V417-N421 PolarHBondContact O-N 3.31Å; V417-N421 PolarHBondContact O-ND2 3.1Å |
| 418 | E | 93.1 | Very high | 91.3 | Very high | 94 Ų | 94 | 62.9 Ų | 62.9 | 44% | 0.439 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59 | -46.3 | 173.6 | -77.6 | 178.3 | 177.4 | 0 | 0 | 111.6 | G414 Y420 N421 E422 | G414-E418 WeakPolarHBondContact O-CG 3.46Å; G414-E418 PolarHBondContact O-N 2.85Å; E418-Y420 VanDerWaalsContact C-N 3.34Å; E418-Y420 PolarHBondContact O-N 3.23Å; E418-N421 WeakPolarHBondContact O-CB 3.2Å; E418-N421 PolarHBondContact O-N 2.84Å; E418-N421 VanDerWaalsContact O-N 3.09Å; E418-E422 WeakPolarHBondContact O-CG 3.43Å; E418-E422 PolarHBondContact O-N 3.43Å |
| 419 | R | 91.9 | Very high | 89.7 | Confident | 61 Ų | 61 | 68.4 Ų | 68.4 | 23% | 0.23 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61 | -42.8 | 174.6 | -72.1 | -179.2 | -173.4 | 162.1 | 8.8 | 112.1 | E359 Y415 V416 V417 N421 E422 E423 K455 | E359-R419 WeakPolarHBondContact OE1-CD 3.5Å; E359-R419 IonicContact OE1-CZ 3.23Å; E359-R419 IonicContact OE1-NE 3.23Å; E359-R419 IonicContact OE1-NH1 2.74Å; E359-R419 PolarHBondContact OE1-NH1 3.38Å; Y415-R419 WeakPolarHBondContact O-CG 3.25Å; Y415-R419 PolarHBondContact O-N 3.49Å; V416-R419 PolarHBondContact O-N 3.4Å; V417-R419 PolarHBondContact O-N 3.49Å; R419-N421 VanDerWaalsContact C-N 3.29Å; R419-N421 PolarHBondContact O-N 3.13Å; R419-E422 PolarHBondContact O-N 2.95Å; R419-E423 WeakPolarHBondContact O-CG 3.36Å; R419-E423 PolarHBondContact O-N 3.44Å; R419-K455 PolarHBondContact NH2-O 3.22Å |
| 420 | Y | 92.2 | Very high | 87.6 | Confident | 5 Ų | 5 | 71.6 Ų | 71.6 | 2% | 0.02 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.5 | -42.9 | 173 | -66.5 | -20.2 | 0 | 0 | 0 | 111.6 | L245 E359 K386 F390 V416 V417 E418 E422 E423 G424 | L245-Y420 HydrophobicContact CD1-CD2 3.55Å; L245-Y420 HydrophobicContact CD1-CE2 3.58Å; L245-Y420 HydrophobicContact CD1-CG 4.16Å; E359-Y420 HydrophobicContact CG-CE1 4.2Å; K386-Y420 WeakPolarHBondContact CB-O 3.47Å; K386-Y420 HydrophobicContact CD-CD1 4.33Å; K386-Y420 HydrophobicContact CD-CG 4.39Å; K386-Y420 HydrophobicContact CG-CG 4.39Å; F390-Y420 HydrophobicContact CD1-CD2 4.12Å; F390-Y420 HydrophobicContact CE1-CD2 4.21Å; F390-Y420 HydrophobicContact CE1-CE2 4.5Å; V416-Y420 HydrophobicContact CG1-CD2 4.16Å; V416-Y420 HydrophobicContact CG1-CE1 3.99Å; V416-Y420 HydrophobicContact CG1-CE2 3.51Å; V416-Y420 WeakPolarHBondContact CG1-OH 3.42Å; V416-Y420 PolarHBondContact O-N 3.09Å; V417-Y420 WeakPolarHBondContact O-CB 3.44Å; V417-Y420 PolarHBondContact O-N 2.9Å; E418-Y420 VanDerWaalsContact C-N 3.34Å; E418-Y420 PolarHBondContact O-N 3.23Å; Y420-E422 PolarHBondContact O-N 2.9Å; Y420-E423 PolarHBondContact O-N 3.4Å; Y420-G424 PolarHBondContact O-N 2.91Å |
| 421 | N | 92.3 | Very high | 85.1 | Confident | 33 Ų | 33 | 73.7 Ų | 73.7 | 18% | 0.176 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.6 | -41.9 | 177.1 | -64.5 | 173 | 0 | 0 | 0 | 111.8 | K386 F390 V417 E418 R419 K425 | K386-N421 VanDerWaalsContact O-CA 3.28Å; K386-N421 WeakPolarHBondContact O-CA 3.24Å; K386-N421 PolarHBondContact O-ND2 3.23Å; F390-N421 PolarHBondContact O-ND2 3.38Å; V417-N421 VanDerWaalsContact O-CG 3.23Å; V417-N421 PolarHBondContact O-N 3.31Å; V417-N421 PolarHBondContact O-ND2 3.1Å; E418-N421 WeakPolarHBondContact O-CB 3.2Å; E418-N421 PolarHBondContact O-N 2.84Å; E418-N421 VanDerWaalsContact O-N 3.09Å; R419-N421 VanDerWaalsContact C-N 3.29Å; R419-N421 PolarHBondContact O-N 3.13Å; N421-K425 WeakPolarHBondContact O-CB 3.4Å; N421-K425 WeakPolarHBondContact O-CD 3.34Å; N421-K425 WeakPolarHBondContact O-CG 3.4Å; N421-K425 PolarHBondContact O-N 3.5Å |
| 422 | E | 91.2 | Very high | 82.3 | Confident | 92 Ų | 92 | 77.3 Ų | 77.3 | 43% | 0.43 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.2 | -50.3 | 175 | -71.6 | 179.5 | 176.7 | 0 | 0 | 112 | E418 R419 Y420 G424 K425 N426 | E418-E422 WeakPolarHBondContact O-CG 3.43Å; E418-E422 PolarHBondContact O-N 3.43Å; R419-E422 PolarHBondContact O-N 2.95Å; Y420-E422 PolarHBondContact O-N 2.9Å; E422-G424 VanDerWaalsContact C-N 3.33Å; E422-G424 PolarHBondContact O-N 3.25Å; E422-K425 PolarHBondContact O-N 2.78Å; E422-N426 WeakPolarHBondContact O-CB 3.49Å; E422-N426 PolarHBondContact O-N 2.81Å; E422-N426 PolarHBondContact O-ND2 3.32Å |
| 423 | E | 89.4 | Confident | 79.5 | Confident | 78 Ų | 78 | 86.6 Ų | 86.6 | 36% | 0.364 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -54.3 | -48.7 | 176.4 | -73.9 | 179.8 | 169 | 0 | 0 | 111.7 | K386 R419 Y420 N426 S427 | K386-E423 IonicContact NZ-OE2 2.69Å; K386-E423 PolarHBondContact NZ-OE2 3.32Å; R419-E423 WeakPolarHBondContact O-CG 3.36Å; R419-E423 PolarHBondContact O-N 3.44Å; Y420-E423 PolarHBondContact O-N 3.4Å; E423-N426 PolarHBondContact O-N 2.74Å; E423-S427 PolarHBondContact O-N 2.69Å |
| 424 | G | 87.5 | Confident | 76.6 | Confident | 0 Ų | 0 | 97.5 Ų | 97.5 | 0% | 0 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -66.5 | -40.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | M383 G387 Y420 E422 S427 | M383-G424 WeakPolarHBondContact O-CA 3.2Å; G387-G424 VanDerWaalsContact CA-CA 3.49Å; Y420-G424 PolarHBondContact O-N 2.91Å; E422-G424 VanDerWaalsContact C-N 3.33Å; E422-G424 PolarHBondContact O-N 3.25Å; G424-S427 PolarHBondContact O-N 3.35Å; G424-S427 PolarHBondContact O-OG 2.68Å |
| 425 | K | 87.5 | Confident | 73.5 | Confident | 123 Ų | 123 | 107 Ų | 107 | 54% | 0.535 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 176.2 | -74.6 | 168.9 | -172.7 | 171.2 | 0 | 111.7 | G387 N421 E422 S427 R428 | G387-K425 WeakPolarHBondContact O-CG 3.49Å; N421-K425 WeakPolarHBondContact O-CB 3.4Å; N421-K425 WeakPolarHBondContact O-CD 3.34Å; N421-K425 WeakPolarHBondContact O-CG 3.4Å; N421-K425 PolarHBondContact O-N 3.5Å; E422-K425 PolarHBondContact O-N 2.78Å; K425-S427 PolarHBondContact O-N 3.05Å; K425-R428 PolarHBondContact O-N 3.14Å |
| 426 | N | 86.7 | Confident | 70.5 | Confident | 137 Ų | 137 | 110.1 Ų | 110.1 | 73% | 0.733 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -69.3 | -21.5 | -179.6 | -68.8 | -23 | 0 | 0 | 0 | 113.4 | E422 E423 | E422-N426 WeakPolarHBondContact O-CB 3.49Å; E422-N426 PolarHBondContact O-N 2.81Å; E422-N426 PolarHBondContact O-ND2 3.32Å; E423-N426 PolarHBondContact O-N 2.74Å |
| 427 | S | 79.9 | Confident | 67.5 | Low | 58 Ų | 58 | 117.6 Ų | 117.6 | 41% | 0.406 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -10.6 | 178.7 | 75.4 | 0 | 0 | 0 | 0 | 114.5 | M383 E423 G424 K425 | M383-S427 WeakPolarHBondContact CB-OG 3.5Å; E423-S427 PolarHBondContact O-N 2.69Å; G424-S427 PolarHBondContact O-N 3.35Å; G424-S427 PolarHBondContact O-OG 2.68Å; K425-S427 PolarHBondContact O-N 3.05Å |
| 428 | R | 69.3 | Low | 64.7 | Low | 126 Ų | 126 | 126.2 Ų | 126.2 | 48% | 0.475 | 58% | 0.579 | S | S | . | * | S | Bend | trans | -72 | 140.3 | 178.3 | -71.9 | -176.8 | 167.6 | -170.4 | -8.5 | 110.2 | S388 K425 Q430 | S388-R428 PolarHBondContact OG-NH1 3.29Å; S388-R428 PolarHBondContact OG-NH2 3.34Å; K425-R428 PolarHBondContact O-N 3.14Å; R428-Q430 PolarHBondContact O-N 2.98Å; R428-Q430 VanDerWaalsContact O-N 3.15Å |
| 429 | P | 60.8 | Low | 61.7 | Low | 121 Ų | 121 | 132.5 Ų | 132.5 | 79% | 0.786 | 60% | 0.599 | S | S | * | * | trans | -54.8 | 125.5 | 168.8 | -17.4 | 29 | 0 | 0 | 0 | 108.1 | D431 | P429-D431 PolarHBondContact O-N 2.73Š| ||
| 430 | Q | 53.2 | Low | 58.7 | Low | 190 Ų | 190 | 136.1 Ų | 136.1 | 89% | 0.888 | 62% | 0.622 | S | S | * | * | trans | -56.3 | 110.4 | 167.6 | -93.8 | -176.6 | -6.3 | 0 | 0 | 106.6 | R428 K432 | R428-Q430 PolarHBondContact O-N 2.98Å; R428-Q430 VanDerWaalsContact O-N 3.15Å; Q430-K432 PolarHBondContact O-N 2.91Å | ||
| 431 | D | 42.3 | Very low | 55.7 | Low | 154 Ų | 154 | 143.5 Ų | 143.5 | 82% | 0.824 | 66% | 0.662 | S | S | * | * | trans | -50.9 | 111.6 | 165.9 | -100.4 | -34.1 | 0 | 0 | 0 | 106.1 | P429 R433 | P429-D431 PolarHBondContact O-N 2.73Å; D431-R433 PolarHBondContact O-N 3.39Å | ||
| 432 | K | 36.3 | Very low | 52.7 | Low | 203 Ų | 203 | 145.5 Ų | 145.5 | 88% | 0.883 | 69% | 0.691 | S | S | * | * | trans | -61.5 | 88.1 | 166.6 | -80.8 | -178.2 | 178.5 | 175.1 | 0 | 105.1 | Q430 R434 | Q430-K432 PolarHBondContact O-N 2.91Å; K432-R434 PolarHBondContact O-N 3.25Å | ||
| 433 | R | 38.2 | Very low | 49.7 | Very low | 237 Ų | 237 | 145.6 Ų | 145.6 | 89% | 0.894 | 71% | 0.707 | S | S | * | * | trans | -44.6 | 110.9 | 162 | -85.2 | -178 | 164.9 | 178.8 | -4.7 | 105 | D431 R435 | D431-R433 PolarHBondContact O-N 3.39Å; R433-R435 PolarHBondContact O-N 3.41Å | ||
| 434 | R | 35.8 | Very low | 46.7 | Very low | 228 Ų | 228 | 147 Ų | 147 | 86% | 0.86 | 73% | 0.733 | S | S | * | * | trans | -47.6 | 110.4 | 170.3 | -80.7 | 179.5 | 165.1 | -176.1 | -4.4 | 106 | K432 N436 | K432-R434 PolarHBondContact O-N 3.25Å; R434-N436 PolarHBondContact O-N 3.21Å | ||
| 435 | R | 31.7 | Very low | 44 | Very low | 220 Ų | 220 | 154.1 Ų | 154.1 | 83% | 0.83 | 77% | 0.769 | S | S | * | * | trans | -68 | 76.7 | 169.2 | -167.6 | -177.3 | -163.9 | -177.3 | 3.9 | 106.3 | R433 E437 | R433-R435 PolarHBondContact O-N 3.41Å; R435-E437 PolarHBondContact O-N 3.38Å | ||
| 436 | N | 32.8 | Very low | 41.2 | Very low | 144 Ų | 144 | 156 Ų | 156 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | trans | -84.8 | 102.6 | 158.6 | -89.8 | 5.7 | 0 | 0 | 0 | 105.7 | R434 H438 | R434-N436 PolarHBondContact O-N 3.21Å; N436-H438 PolarHBondContact O-N 2.96Å; N436-H438 VanDerWaalsContact O-N 3.07Å | ||
| 437 | E | 31.2 | Very low | 38.4 | Very low | 158 Ų | 158 | 157 Ų | 157 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | trans | -54.5 | 105.2 | 159.1 | -69.1 | 174 | 160.4 | 0 | 0 | 107.9 | R435 | R435-E437 PolarHBondContact O-N 3.38Š| ||
| 438 | H | 35.2 | Very low | 35.9 | Very low | 189 Ų | 189 | 158.1 Ų | 158.1 | 88% | 0.875 | 80% | 0.802 | S | S | * | * | trans | -141.6 | 131.7 | 146.3 | -104.2 | -71.9 | 0 | 0 | 0 | 108.8 | N436 | N436-H438 PolarHBondContact O-N 2.96Å; N436-H438 VanDerWaalsContact O-N 3.07Å | ||
| 439 | R | 29.8 | Very low | 34.1 | Very low | 226 Ų | 226 | 158.4 Ų | 158.4 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | trans | -66 | 157.1 | -174.5 | -73.7 | 170.8 | 164.2 | 165.6 | -6.8 | 112.4 | ||||
| 440 | D | 30.3 | Very low | 32.6 | Very low | 137 Ų | 137 | 158 Ų | 158 | 73% | 0.733 | 81% | 0.813 | S | S | * | * | trans | 89.7 | 120.9 | 154.5 | -62.8 | -19.1 | 0 | 0 | 0 | 120.4 | ||||
| 441 | D | 29.5 | Very low | 31.5 | Very low | 159 Ų | 159 | 157.4 Ų | 157.4 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | trans | 72.4 | 114.6 | 146.2 | -58.1 | -22 | 0 | 0 | 0 | 121.7 | ||||
| 442 | G | 27.3 | Very low | 31.2 | Very low | 76 Ų | 76 | 152.9 Ų | 152.9 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | trans | 126.7 | 121.7 | 143.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 443 | A | 28.9 | Very low | 31.1 | Very low | 94 Ų | 94 | 148.2 Ų | 148.2 | 78% | 0.777 | 78% | 0.778 | S | S | * | * | trans | 76.3 | 99.5 | 160.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | I445 | A443-I445 PolarHBondContact O-N 3.17Š| ||
| 444 | A | 26.5 | Very low | 31.5 | Very low | 108 Ų | 108 | 146.3 Ų | 146.3 | 89% | 0.893 | 78% | 0.776 | S | S | * | * | trans | -69.6 | 113.8 | 159 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 445 | I | 30.4 | Very low | 32.2 | Very low | 149 Ų | 149 | 140.2 Ų | 140.2 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | trans | -106.1 | 114.8 | 163.7 | -61.3 | 179.6 | 0 | 0 | 0 | 107.6 | A443 N447 | A443-I445 PolarHBondContact O-N 3.17Å; I445-N447 PolarHBondContact O-N 3.45Å | ||
| 446 | L | 29.1 | Very low | 33.1 | Very low | 162 Ų | 162 | 138.8 Ų | 138.8 | 85% | 0.848 | 76% | 0.756 | S | S | * | * | trans | -60.6 | 115.4 | 172.2 | -85.5 | 140.5 | 0 | 0 | 0 | 110.4 | A448 | L446-A448 PolarHBondContact O-N 3.42Å; L446-A448 VanDerWaalsContact O-N 3.14Å | ||
| 447 | N | 28.8 | Very low | 34.2 | Very low | 157 Ų | 157 | 133.5 Ų | 133.5 | 84% | 0.84 | 73% | 0.727 | S | S | * | * | trans | -77.2 | 89.8 | 159.8 | -80.1 | -24.2 | 0 | 0 | 0 | 108.4 | I445 V449 | I445-N447 PolarHBondContact O-N 3.45Å; N447-V449 PolarHBondContact O-N 3.14Å | ||
| 448 | A | 27.8 | Very low | 34.9 | Very low | 83 Ų | 83 | 131.4 Ų | 131.4 | 69% | 0.686 | 73% | 0.725 | S | S | * | * | trans | -73.9 | 107.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | L446 V450 | L446-A448 PolarHBondContact O-N 3.42Å; L446-A448 VanDerWaalsContact O-N 3.14Å; A448-V450 PolarHBondContact O-N 3.3Å; A448-V450 VanDerWaalsContact O-N 3.14Å | ||
| 449 | V | 30.4 | Very low | 35.1 | Very low | 132 Ų | 132 | 126.4 Ų | 126.4 | 80% | 0.8 | 71% | 0.709 | S | S | * | * | trans | -69.9 | 102 | 163 | 176.6 | 0 | 0 | 0 | 0 | 106.4 | N447 H451 | N447-V449 PolarHBondContact O-N 3.14Å; V449-H451 PolarHBondContact O-N 3.15Å | ||
| 450 | V | 28.7 | Very low | 35.7 | Very low | 113 Ų | 113 | 119.9 Ų | 119.9 | 69% | 0.685 | 70% | 0.696 | S | S | * | * | trans | -71.2 | 113.1 | 172.4 | 179 | 0 | 0 | 0 | 0 | 107.4 | A448 V452 | A448-V450 PolarHBondContact O-N 3.3Å; A448-V450 VanDerWaalsContact O-N 3.14Å; V450-V452 HydrophobicContact CG1-CG2 4.23Å; V450-V452 PolarHBondContact O-N 3.34Å | ||
| 451 | H | 30.3 | Very low | 36.2 | Very low | 177 Ų | 177 | 120.1 Ų | 120.1 | 82% | 0.819 | 70% | 0.702 | S | S | * | * | trans | -83.6 | 104 | 175 | -152.4 | 69.6 | 0 | 0 | 0 | 108.5 | V449 | V449-H451 PolarHBondContact O-N 3.15Š| ||
| 452 | V | 37 | Very low | 36.8 | Very low | 58 Ų | 58 | 122.7 Ų | 122.7 | 35% | 0.352 | 71% | 0.706 | S | S | . | * | trans | -85 | 124.6 | 175.6 | -174.6 | 0 | 0 | 0 | 0 | 109 | V450 | V450-V452 HydrophobicContact CG1-CG2 4.23Å; V450-V452 PolarHBondContact O-N 3.34Å | ||
| 453 | P | 33.5 | Very low | 37.2 | Very low | 105 Ų | 105 | 122 Ų | 122 | 68% | 0.682 | 70% | 0.698 | S | S | * | * | trans | -62.5 | 140.5 | 179.5 | -5.3 | 12.4 | 0 | 0 | 0 | 111.5 | K455 | P453-K455 VanDerWaalsContact C-N 3.28Å; P453-K455 PolarHBondContact O-N 3.35Å | ||
| 454 | K | 46.6 | Very low | 37.7 | Very low | 197 Ų | 197 | 123 Ų | 123 | 86% | 0.857 | 69% | 0.69 | S | S | * | * | trans | -67.9 | 82.4 | 171.4 | -68.7 | -175.1 | 179.5 | -176.8 | 0 | 110.3 | K456 | K454-K456 PolarHBondContact O-N 3.32Š| ||
| 455 | K | 49.9 | Very low | 38.5 | Very low | 100 Ų | 100 | 122.2 Ų | 122.2 | 44% | 0.435 | 68% | 0.676 | S | S | . | * | trans | -65.1 | 124.3 | 167 | -166.3 | -176.9 | 177.4 | -162.5 | 0 | 107.8 | D412 Y415 R419 P453 I457 | D412-K455 IonicContact OD1-NZ 3.51Å; D412-K455 PolarHBondContact OD1-NZ 3.38Å; Y415-K455 HydrophobicContact CE2-CD 4.43Å; R419-K455 PolarHBondContact NH2-O 3.22Å; P453-K455 VanDerWaalsContact C-N 3.28Å; P453-K455 PolarHBondContact O-N 3.35Å; K455-I457 PolarHBondContact O-N 2.9Å | ||
| 456 | K | 52.2 | Low | 39 | Very low | 191 Ų | 191 | 117.4 Ų | 117.4 | 83% | 0.83 | 66% | 0.655 | S | S | * | * | trans | -78.4 | 99.9 | 173.5 | -163 | 177.8 | -175.4 | -177.3 | 0 | 106.8 | K454 V458 | K454-K456 PolarHBondContact O-N 3.32Å; K456-V458 PolarHBondContact O-N 2.87Å | ||
| 457 | I | 55 | Low | 39.4 | Very low | 33 Ų | 33 | 114.3 Ų | 114.3 | 17% | 0.169 | 65% | 0.647 | C | S | . | * | trans | -76.5 | 115.1 | 178.1 | -58.3 | 171.6 | 0 | 0 | 0 | 106.9 | L408 D412 V416 K455 | L408-I457 HydrophobicContact CD2-CG2 3.87Å; D412-I457 HydrophobicContact CB-CD1 4.39Å; D412-I457 HydrophobicContact CB-CG2 4.32Å; V416-I457 HydrophobicContact CG2-CD1 3.72Å; K455-I457 PolarHBondContact O-N 2.9Å | ||
| 458 | V | 46.4 | Very low | 40 | Very low | 114 Ų | 114 | 114.7 Ų | 114.7 | 69% | 0.691 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 128.1 | 176.7 | -179.3 | 0 | 0 | 0 | 0 | 107.4 | K456 | K456-V458 PolarHBondContact O-N 2.87Š|
| 459 | P | 39.8 | Very low | 40.8 | Very low | 83 Ų | 83 | 113.5 Ų | 113.5 | 54% | 0.539 | 63% | 0.626 | S | S | . | * | P | Polyproline II helix | trans | -62.6 | 143.3 | -178.9 | 23.1 | -31.2 | 0 | 0 | 0 | 111.1 | P358 | P358-P459 HydrophobicContact CG-CB 4.33Š|
| 460 | P | 40.6 | Very low | 41.1 | Very low | 89 Ų | 89 | 113.4 Ų | 113.4 | 58% | 0.578 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 145.1 | 172.2 | 24.7 | -30.7 | 0 | 0 | 0 | 110.4 | K462 | P460-K462 PolarHBondContact O-N 2.68Š|
| 461 | V | 42.4 | Very low | 41.4 | Very low | 143 Ų | 143 | 115.8 Ų | 115.8 | 87% | 0.867 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 129.3 | 172.7 | 179.2 | 0 | 0 | 0 | 0 | 107.6 | G463 | V461-G463 VanDerWaalsContact C-N 3.31Å; V461-G463 PolarHBondContact O-N 2.89Å |
| 462 | K | 41.5 | Very low | 41.8 | Very low | 213 Ų | 213 | 112.3 Ų | 112.3 | 93% | 0.926 | 62% | 0.616 | S | S | * | * | trans | -60.5 | 88.3 | -179.6 | -72.2 | -177.2 | 177.6 | 180 | 0 | 110.9 | P460 | P460-K462 PolarHBondContact O-N 2.68Š| ||
| 463 | G | 36 | Very low | 41.9 | Very low | 60 Ų | 60 | 115.1 Ų | 115.1 | 62% | 0.619 | 63% | 0.628 | S | S | * | * | trans | -86.7 | 146.6 | 155.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | V461 P465 | V461-G463 VanDerWaalsContact C-N 3.31Å; V461-G463 PolarHBondContact O-N 2.89Å; G463-P465 VanDerWaalsContact O-CD 3.25Å; G463-P465 WeakPolarHBondContact O-CD 3.28Å | ||
| 464 | D | 39.5 | Very low | 41.9 | Very low | 116 Ų | 116 | 115.9 Ų | 115.9 | 62% | 0.62 | 63% | 0.631 | S | S | * | * | trans | -66.5 | 113 | -179.1 | -147.2 | -20.6 | 0 | 0 | 0 | 109.2 | K260 C466 | K260-D464 IonicContact NZ-OD1 3.36Å; D464-C466 PolarHBondContact O-N 2.87Å | ||
| 465 | P | 42.9 | Very low | 41 | Very low | 91 Ų | 91 | 111 Ų | 111 | 59% | 0.591 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | 20.5 | -170.6 | 28.5 | -29.1 | 0 | 0 | 0 | 113.4 | G463 | G463-P465 VanDerWaalsContact O-CD 3.25Å; G463-P465 WeakPolarHBondContact O-CD 3.28Å |
| 466 | C | 40.3 | Very low | 40 | Very low | 48 Ų | 48 | 112.4 Ų | 112.4 | 32% | 0.324 | 64% | 0.639 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.2 | -10.8 | 179.1 | -83.2 | 0 | 0 | 0 | 0 | 114.5 | K260 D464 | K260-C466 WeakPolarHBondContact CD-SG 3.42Å; K260-C466 PolarHBondContact NZ-SG 3.07Å; D464-C466 PolarHBondContact O-N 2.87Å |
| 467 | S | 38.9 | Very low | 38.8 | Very low | 98 Ų | 98 | 108.7 Ų | 108.7 | 69% | 0.685 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -15.6 | -177.3 | 56.5 | 0 | 0 | 0 | 0 | 114.7 | ||
| 468 | E | 39.6 | Very low | 37.5 | Very low | 165 Ų | 165 | 112.3 Ų | 112.3 | 77% | 0.771 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -5.4 | 179.7 | -69.1 | -177.5 | 169.3 | 0 | 0 | 113.4 | ||
| 469 | L | 45.3 | Very low | 36.7 | Very low | 57 Ų | 57 | 115 Ų | 115 | 30% | 0.298 | 68% | 0.675 | S | S | . | * | S | Bend | trans | -87 | -17.9 | -173.7 | -73.8 | 164.7 | 0 | 0 | 0 | 114.5 | ||
| 470 | D | 36 | Very low | 36.2 | Very low | 131 Ų | 131 | 119.3 Ų | 119.3 | 70% | 0.701 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -82.1 | -23.4 | 179.6 | -89.7 | -19.6 | 0 | 0 | 0 | 113.7 | T474 | D470-T474 PolarHBondContact O-OG1 2.81Š|
| 471 | E | 36.1 | Very low | 35.6 | Very low | 163 Ų | 163 | 118.7 Ų | 118.7 | 76% | 0.762 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -79.6 | -18.7 | -174.3 | -72 | -168.8 | 163.7 | 0 | 0 | 114 | ||
| 472 | T | 39.4 | Very low | 35 | Very low | 104 Ų | 104 | 121.3 Ų | 121.3 | 64% | 0.638 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -92.8 | -13.2 | -176.6 | 30.4 | 0 | 0 | 0 | 0 | 114.2 | ||
| 473 | L | 39 | Very low | 34.7 | Very low | 116 Ų | 116 | 116.5 Ų | 116.5 | 61% | 0.607 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -97.8 | -6.1 | -178.8 | -72.2 | 164.9 | 0 | 0 | 0 | 114.2 | Y264 | Y264-L473 WeakPolarHBondContact OH-CD1 3.43Š|
| 474 | T | 32 | Very low | 34.5 | Very low | 122 Ų | 122 | 121 Ų | 121 | 75% | 0.748 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -101.3 | 10 | -177.5 | 42.2 | 0 | 0 | 0 | 0 | 114.8 | D470 | D470-T474 PolarHBondContact O-OG1 2.81Š|
| 475 | S | 27.9 | Very low | 34.1 | Very low | 93 Ų | 93 | 123.7 Ų | 123.7 | 65% | 0.65 | 72% | 0.722 | S | S | * | * | trans | -107.6 | 40.1 | -174.6 | 64.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 476 | T | 28.9 | Very low | 33.9 | Very low | 131 Ų | 131 | 125 Ų | 125 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -152.4 | 84.5 | 162.2 | 42.5 | 0 | 0 | 0 | 0 | 112.1 | ||
| 477 | S | 27.3 | Very low | 33.6 | Very low | 113 Ų | 113 | 127.9 Ų | 127.9 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | trans | 175.4 | 138.4 | 144.8 | 43.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 478 | S | 28.1 | Very low | 33.7 | Very low | 109 Ų | 109 | 128.1 Ų | 128.1 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | trans | 70.1 | 116.8 | 177.5 | 71.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 479 | L | 29.9 | Very low | 33.4 | Very low | 170 Ų | 170 | 131.8 Ų | 131.8 | 89% | 0.89 | 76% | 0.763 | S | S | * | * | -148 | 103.3 | 65.5 | -72.6 | 158 | 0 | 0 | 0 | 112 | |||||
| 480 | D | 28.4 | Very low | 33.2 | Very low | 174 Ų | 174 | 140.5 Ų | 140.5 | 93% | 0.93 | 81% | 0.81 | S | S | * | * | trans | -103.1 | 125 | 146.1 | -86.8 | -37 | 0 | 0 | 0 | 106.6 | ||||
| 481 | G | 29.1 | Very low | 33.1 | Very low | 75 Ų | 75 | 141 Ų | 141 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | trans | 128.9 | 57.8 | 164.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 482 | E | 30 | Very low | 32.9 | Very low | 199 Ų | 199 | 139.8 Ų | 139.8 | 93% | 0.93 | 82% | 0.819 | S | S | * | * | trans | -93.8 | 110.8 | 149.4 | -91.3 | -170.4 | 161.4 | 0 | 0 | 109.4 | ||||
| 483 | S | 35 | Very low | 32.6 | Very low | 111 Ų | 111 | 141.8 Ų | 141.8 | 78% | 0.776 | 83% | 0.829 | S | S | * | * | trans | -76 | 138.7 | 174.3 | 48.5 | 0 | 0 | 0 | 0 | 110.3 | L485 | S483-L485 PolarHBondContact O-N 3.47Š| ||
| 484 | N | 30.8 | Very low | 32.2 | Very low | 156 Ų | 156 | 143.3 Ų | 143.3 | 83% | 0.834 | 84% | 0.842 | S | S | * | * | trans | -50.9 | 123.8 | 174.3 | -71.5 | -53.1 | 0 | 0 | 0 | 112.7 | ||||
| 485 | L | 31.4 | Very low | 32.2 | Very low | 172 Ų | 172 | 144.6 Ų | 144.6 | 90% | 0.901 | 85% | 0.847 | S | S | * | * | trans | -123.5 | 92.7 | 155.7 | -105.8 | 154.3 | 0 | 0 | 0 | 108.4 | S483 | S483-L485 PolarHBondContact O-N 3.47Š| ||
| 486 | V | 38.6 | Very low | 32.5 | Very low | 119 Ų | 119 | 148.1 Ų | 148.1 | 72% | 0.721 | 86% | 0.861 | S | S | * | * | trans | -107.1 | 118.2 | 169 | 171.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 487 | S | 35 | Very low | 32.7 | Very low | 107 Ų | 107 | 149.3 Ų | 149.3 | 75% | 0.748 | 87% | 0.865 | S | S | * | * | trans | 62 | 120.6 | 149.5 | 78 | 0 | 0 | 0 | 0 | 121 | ||||
| 488 | A | 40.2 | Very low | 33.2 | Very low | 103 Ų | 103 | 152.1 Ų | 152.1 | 85% | 0.851 | 87% | 0.87 | S | S | * | * | -151.9 | 120.7 | 107.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 489 | R | 33.9 | Very low | 33.6 | Very low | 242 Ų | 242 | 155.7 Ų | 155.7 | 91% | 0.913 | 88% | 0.879 | S | S | * | * | trans | -79.8 | 125.7 | 158.6 | -85.3 | 175.7 | 165.7 | 169.3 | -4.5 | 108.1 | ||||
| 490 | N | 40.6 | Very low | 33.9 | Very low | 240 Ų | 240 | 154.4 Ų | 154.4 | 100% | 1.283 | 88% | 0.878 | S | S | * | * | trans | 176.1 | 0 | 130.1 | -98.2 | -7.3 | 0 | 0 | 0 | 110.2 |
Retrieved 490 of 490 residues in 1123.1 ms
(Link to these results)